adjustments for latest lazar version

author: Christoph Helma <helma@in-silico.ch> 2018-11-05 17:37:29 +0100
committer: Christoph Helma <helma@in-silico.ch> 2018-11-05 17:37:29 +0100
commit: 2361c6d9259e7ec8eea97f9bff3b24d105b3662a (patch)
tree: c8c6a869cf0af40b03ae4bd33ae48cbe4dfd5532
parent: ba5372ce84bd89a937478d32eb067995214f1331 (diff)
38 files changed, 7374 insertions, 23883 deletions
diff --git a/Makefile b/Makefile
index 015f075..4db0d26 100644
--- a/Makefile
+++ b/Makefile
@@ -1,81 +1,67 @@
-data  = data/kazius.csv data/efsa.csv data/hansen.csv
+summaries = summaries/mutagenicity-merged-crossvalidations.json summaries/carcinogenicity-crossvalidations.json summaries/pa_mutagenicity_neighbor_sets.json summaries/pa_carcinogenicity_neighbor_sets.json
 
-summaries = summaries/weighted_majority_merged_sim0.1.json summaries/weighted_majority_kazius_sim0.1.json summaries/weighted_majority_merged_sim0.5.json summaries/weighted_majority_kazius_sim0.5.json summaries/pa_mutagenicity_neighbor_sets.json summaries/pa_carcinogenicity_neighbor_sets.json
+exports = export/mutagenicity-merged.sdf export/pa_mutagenicity.csv export/pa_carcinogenicity.csv
 
-all: $(summaries)
+all: $(summaries) $(exports)
 
-# exports
-
-export/mutagenicity-merged.sdf: data/mutagenicity-merged.id
-	scripts/export.rb $< sdf > $@
-
-export/mutagenicity-merged.csv: data/mutagenicity-merged.id
-	scripts/export.rb $< > $@
-
-export/carcinogenicity.csv: data/carcinogenicity.id
-	scripts/export.rb $< > $@
+# summaries
 
-summaries/pa_carcinogenicity_neighbor_sets.json: experiments/pa_carcinogenicity_prediction.json
+summaries/pa_carcinogenicity_neighbor_sets.json: data/pa_carcinogenicity.json
 	scripts/pa_neighbor_sets.rb $< > $@
 
-summaries/pa_mutagenicity_neighbor_sets.json: experiments/pa_mutagenicity_prediction.json
+summaries/pa_mutagenicity_neighbor_sets.json: data/pa_mutagenicity.json
 	scripts/pa_neighbor_sets.rb $< > $@
 
-summaries/weighted_majority_kazius_sim0.5.json: experiments/weighted_majority_kazius_sim0.5.id
-	scripts/repeated_crossvalidation_summary.rb $< > $@
+summaries/mutagenicity-merged-crossvalidations.json: models/mutagenicity-merged.id
+	scripts/crossvalidation-summary.rb $< > $@
 
-experiments/weighted_majority_kazius_sim0.5.id: data/kazius.csv
-	scripts/repeated_crossvalidation.rb $< > $@
+summaries/carcinogenicity-crossvalidations.json: models/carcinogenicity.id
+	scripts/crossvalidation-summary.rb $< > $@
 
-summaries/weighted_majority_merged_sim0.5.json: experiments/weighted_majority_merged_sim0.5.id
-	scripts/repeated_crossvalidation_summary.rb $< > $@
-
-experiments/weighted_majority_merged_sim0.5.id: data/mutagenicity-merged.csv
-	scripts/repeated_crossvalidation.rb $< > $@
+# exports
 
-summaries/weighted_majority_kazius_sim0.1.json: experiments/weighted_majority_kazius_sim0.1.id
-	scripts/repeated_crossvalidation_summary.rb $< > $@
+export/mutagenicity-merged.sdf: data/mutagenicity-merged.id
+	scripts/export.rb $< > $@
 
-experiments/weighted_majority_kazius_sim0.1.id: data/kazius.csv
-	scripts/repeated_crossvalidation.rb $< > $@
+export/pa_mutagenicity.csv: data/pa_mutagenicity.json
+	scripts/json2csv.rb $< > $@
 
-summaries/weighted_majority_merged_sim0.1.json: experiments/weighted_majority_merged_sim0.1.id
-	scripts/repeated_crossvalidation_summary.rb $< > $@
+export/pa_carcinogenicity.csv: data/pa_carcinogenicity.json
+	scripts/json2csv.rb $< > $@
 
-experiments/weighted_majority_merged_sim0.1.id: data/mutagenicity-merged.csv
-	scripts/repeated_crossvalidation.rb $< > $@
+# predictions
 
-experiments/pa_carcinogenicity.id: data/carcinogenicity.id data/PA.id
+data/pa_carcinogenicity.json: models/carcinogenicity.id data/PA.id
 	scripts/predict.rb $^ > $@
 
-experiments/pa_mutagenicity.id: data/mutagenicity-merged.id data/PA.id
+data/pa_mutagenicity.json: models/mutagenicity-merged.id data/PA.id
 	scripts/predict.rb $^ > $@
 
-# models
+# models and validations
 
 models/mutagenicity-merged.id: data/mutagenicity-merged.id
-	scripts/merge.rb $^ > $@
+	scripts/model.rb $< > $@
 
 models/carcinogenicity.id: data/carcinogenicity.id
-	scripts/import-pubchem.rb 1205
+	scripts/model.rb $< > $@
 
 # test data
 
 data/PA.id: data/PA.sdf
-	scripts/import.rb $< sdf > $@
+	scripts/import.rb $< > $@
 	
 # training data
 
-data/mutagenicity-merged.id: data/hansen.id data/kazius.id data/efsa.id
+data/mutagenicity-merged.id: data/hansen.id data/efsa.id data/kazius.id
 	scripts/merge.rb $^ > $@
 
 data/carcinogenicity.id:
-	scripts/import-pubchem.rb 1205
+	scripts/import-pubchem.rb 1205 > $@
 
 # kazius
 
 data/kazius.id: data/cas_4337.sdf
-	scripts/import.rb $< sdf > $@
+	scripts/import.rb $< > $@
 
 data/cas_4337.sdf: data/cas_4337.zip
 	cd data && unzip cas_4337.zip
@@ -113,5 +99,8 @@ data/Mutagenicity_N6512.csv:
 clean:
 	rm data/*.id
 
+clean_db:
+	rm data/*.id && scripts/drop-database.rb
+
 cleanall:
 	rm data/*
diff --git a/data/PA.id b/data/PA.id
deleted file mode 100644
index ac5245a..0000000
--- a/data/PA.id
+++ /dev/null
@@ -1 +0,0 @@
-5bba45aaca62690b2d24567c
diff --git a/data/aid1205.csv b/data/aid1205.csv
deleted file mode 100644
index e55632a..0000000
--- a/data/aid1205.csv
+++ /dev/null
@@ -1,1155 +0,0 @@
-PUBCHEM_RESULT_TAG,PUBCHEM_SID,PUBCHEM_CID,PUBCHEM_ACTIVITY_OUTCOME,PUBCHEM_ACTIVITY_SCORE,PUBCHEM_ACTIVITY_URL,PUBCHEM_ASSAYDATA_COMMENT,ActivityOutcome_CPDBAS_MultiCellCall_Details
-RESULT_TYPE,,,,,,,STRING
-RESULT_DESCR,,,,,,,"Details pertaining to Activity Outcome: active indicates one or more of the following are listed: multisite active = multiple tumor sites reported from different experiments; multisex active = male and female sexes (possibly of different species) tested positive for one or more tumor sites, possibly from different experiments; multispecies active = multiple species (e.g., rat, mouse, etc) tested positive at one or more tumor sites, possibly from different experiments. Activity Outcome inactive indicates or more of the following are listed: multisex inactive = no tumor sites reported in any experiment AND more than one no positive results entry for male and female sexes (possibly of different species), possibly from different experiments; multispecies inactive = no tumor sites reported in any experiment AND more than one no positive results entry for multiple species (e.g., rat, mouse, etc), possibly from different experiments. "
-1,48413127,62805,Active,50,,,multisite active; multisex active
-2,48413128,11074431,Inactive,0,,,multisex inactive
-3,48413129,177,Active,100,,,multisite active; multisex active; multispecies active
-4,48413130,9548611,Active,50,,,multisite active; multisex active
-5,48413132,178,Active,100,,,multisite active; multisex active; multispecies active
-6,48413133,1983,Active,100,,,multisite active; multisex active; multispecies active
-7,48413134,1989,Inactive,0,,,multisex inactive; multispecies inactive
-8,48413136,6342,Inactive,0,,,multisex inactive; multispecies inactive
-9,48413139,107949,Active,50,,,multisite active; multisex active
-10,48413140,71602,Active,30,,,multisex active
-11,48413141,122903,Inactive,0,,,multisex inactive
-12,48413142,8247,Active,30,,,multisex active
-13,48413145,5897,Active,100,,,multisite active; multisex active; multispecies active
-14,48413147,2018,Inactive,0,,,multisex inactive; multispecies inactive
-15,48413149,44073,Active,50,,,multisite active; multisex active
-16,48413150,7847,Inactive,0,,,multisex inactive; multispecies inactive
-17,48413151,62477,Inactive,0,,,multisex inactive
-18,48413152,9577004,Inactive,0,,,multisex inactive
-19,48413153,345512,Active,50,,,multisite active; multisex active
-20,48413154,6579,Active,50,,,multisite active; multisex active
-21,48413155,6581,Inactive,0,,,multisex inactive
-22,48413156,7855,Active,50,,,multisite active; multisex active
-23,48413158,457193,Active,30,,,multisex active
-24,48413159,12364,Inactive,0,,,multisex inactive; multispecies inactive
-25,48413160,5280707,Active,100,,,multisite active; multisex active; multispecies active
-26,48413162,14403,Active,100,,,multisite active; multisex active; multispecies active
-27,48413163,14421,Active,70,,,multisite active; multispecies active
-28,48413164,,Inactive,0,,,multisex inactive; multispecies inactive
-29,48413165,30951,Inactive,0,,,multisex inactive
-30,48413166,9570071,Inactive,0,,,multisex inactive; multispecies inactive
-31,48413168,23691965,Inactive,0,,,multisex inactive
-32,48413169,62452,Inactive,0,,,multisex inactive
-33,48413170,204,Inactive,0,,,multisex inactive
-34,48413171,7858,Inactive,0,,,multisex inactive
-35,48413172,7850,Inactive,0,,,multisex inactive
-36,48413175,17816,Active,80,,,multisex active; multispecies active
-37,48413176,96019,Active,50,,,multisite active; multisex active
-38,48413177,171127,Active,50,,,multisite active; multisex active
-39,48413178,24856,Inactive,0,,,multisex inactive; multispecies inactive
-40,48413179,6681,Active,100,,,multisite active; multisex active; multispecies active
-41,48413181,62130,Active,100,,,multisite active; multisex active; multispecies active
-42,48413182,8588,Active,100,,,multisite active; multisex active; multispecies active
-43,48413183,5284339,Active,30,,,multisex active
-44,48413184,6702,Active,100,,,multisite active; multisex active; multispecies active
-45,48413185,77406,Active,20,,,multisite active
-46,48413186,61205,Active,20,,,multisite active
-47,48413187,38052,Active,70,,,multisite active; multispecies active
-48,48413188,5284340,Active,50,,,multisite active; multisex active
-49,48413193,8486,Active,20,,,multisite active
-50,48413195,8341,Active,100,,,multisite active; multisex active; multispecies active
-51,48413196,7340,Active,30,,,multisex active
-52,48413198,7102,Active,50,,,multisite active; multisex active
-53,48413200,19405,Active,50,,,multisite active; multisex active
-54,48413202,93296,Inactive,0,,,multisex inactive
-55,48413203,1639,Active,100,,,multisite active; multisex active; multispecies active
-56,48413204,17083,Active,20,,,multisite active
-57,48413207,14923,Inactive,0,,,multisex inactive
-58,48413209,6055,Inactive,0,,,multisex inactive; multispecies inactive
-59,48413210,23565,Inactive,0,,,multisex inactive; multispecies inactive
-60,48413211,82746,Active,50,,,multisite active; multisex active
-61,48413214,637563,Inactive,0,,,multisex inactive
-62,48413215,7057995,Inactive,0,,,multisex inactive
-63,48413216,7541,Inactive,0,,,multisex inactive; multispecies inactive
-64,48413218,8870,Active,50,,,multisite active; multisex active
-65,48413219,8638,Active,100,,,multisite active; multisex active; multispecies active
-66,48413220,2734956,Inactive,0,,,multisex inactive; multispecies inactive
-67,48413221,227,Inactive,0,,,multisex inactive; multispecies inactive
-68,48413222,6780,Inactive,0,,,multisex inactive
-69,48413224,8809,Active,50,,,multispecies active
-70,48413225,6107,Active,50,,,multisite active; multisex active
-71,48413226,154914,Active,30,,,multisex active
-72,48413228,63103,Active,50,,,multisite active; multisex active
-73,48413229,40470,Active,100,,,multisite active; multisex active; multispecies active
-74,48413230,38018,Active,50,,,multisite active; multisex active
-75,48413231,23677060,Inactive,0,,,multispecies inactive
-76,48413232,518605,Inactive,0,,,multisex inactive
-77,48413233,443495,Inactive,0,,,multispecies inactive
-78,48413235,54670067,Inactive,0,,,multisex inactive; multispecies inactive
-79,48413236,134601,Inactive,0,,,multisex inactive
-80,48413237,2244,Inactive,0,,,multisex inactive; multispecies inactive
-81,48413238,,Inactive,0,,,multisex inactive; multispecies inactive
-82,48413239,2247,Inactive,0,,,multisex inactive; multispecies inactive
-83,48413240,119274,Inactive,0,,,multisex inactive
-84,48413241,2256,Active,50,,,multisite active; multisex active
-85,48413242,174174,Inactive,0,,,multisex inactive
-86,48413243,17170,Active,80,,,multisex active; multispecies active
-87,48413244,,Inactive,0,,,multisex inactive
-88,48413245,9444,Active,100,,,multisite active; multisex active; multispecies active
-89,48413248,2265,Active,20,,,multisite active
-90,48413249,65948,Inactive,0,,,multisex inactive; multispecies inactive
-91,48413250,33557,Inactive,0,,,multisex inactive
-92,48413251,2268,Inactive,0,,,multisex inactive; multispecies inactive
-93,48413252,2272,Active,50,,,multisite active; multisex active
-94,48413253,33184,Active,20,,,multisite active
-95,48413254,123376,Active,20,,,multisite active
-96,48413256,35370,Active,50,,,multispecies active
-97,48413259,10980,Inactive,0,,,multisex inactive; multispecies inactive
-98,48413260,5284346,Inactive,0,,,multisex inactive; multispecies inactive
-99,48413261,55784,Active,50,,,multisite active; multisex active
-100,48413262,6109982,Inactive,0,,,multisex inactive; multispecies inactive
-101,48413263,240,Active,30,,,multisex active
-102,48413264,241,Active,100,,,multisite active; multisex active; multispecies active
-103,48413265,12496962,Active,30,,,multisex active
-104,48413267,7111,Active,70,,,multisite active; multispecies active
-105,48413268,10754,Active,50,,,multisite active; multisex active
-106,48413269,2336,Active,100,,,multisite active; multisex active; multispecies active
-107,48413270,517055,Inactive,0,,,multisex inactive; multispecies inactive
-108,48413271,9223,Active,100,,,multisite active; multisex active; multispecies active
-109,48413272,7064,Inactive,0,,,multisex inactive; multispecies inactive
-110,48413274,8400,Inactive,0,,,multisex inactive; multispecies inactive
-111,48413275,4650,Active,30,,,multisex active
-112,48413276,8447,Inactive,0,,,multisex inactive
-113,48413277,7220,Inactive,0,,,multisex inactive; multispecies inactive
-114,48413278,7367,Active,20,,,multisite active
-115,48413279,11955,Active,50,,,multisite active; multisex active
-116,48413280,8785,Active,50,,,multisite active; multisex active
-117,48413281,244,Inactive,0,,,multisex inactive; multispecies inactive
-118,48413282,7503,Active,30,,,multisex active
-119,48413287,84482,Active,80,,,multisex active; multispecies active
-120,48413288,26077,Inactive,0,,,multisex inactive; multispecies inactive
-121,48413289,5281872,Inactive,0,,,multisex inactive
-122,48413290,7095,Inactive,0,,,multisex inactive
-123,48413291,127627,Active,30,,,multisex active
-124,48413293,18692,Active,100,,,multisite active; multisex active; multispecies active
-125,48413294,93038,Inactive,0,,,multisex inactive
-126,48413295,16682746,Inactive,0,,,multisex inactive
-127,48413296,7944,Active,50,,,multisite active; multisex active
-128,48413302,10967,Active,100,,,multisite active; multisex active; multispecies active
-129,48413303,5284348,Active,50,,,multisite active; multisex active
-130,48413305,147528,Active,20,,,multisite active
-131,48413309,560564,Inactive,0,,,multisex inactive
-132,48413311,6623,Inactive,0,,,multisex inactive; multispecies inactive
-133,48413312,5359750,Inactive,0,,,multisex inactive; multispecies inactive
-134,48413313,5359662,Active,100,,,multisite active; multisex active; multispecies active
-135,48413314,6093231,Active,30,,,multisex active
-136,48413315,5359722,Active,50,,,multisite active; multisex active
-137,48413316,9570455,Active,100,,,multisite active; multisex active; multispecies active
-138,48413317,17190,Active,30,,,multisex active
-139,48413318,19700,Inactive,0,,,multisex inactive; multispecies inactive
-140,48413319,5284351,Inactive,0,,,multisex inactive; multispecies inactive
-141,48413320,17734,Active,100,,,multisite active; multisex active; multispecies active
-142,48413322,36383,Inactive,0,,,multisex inactive; multispecies inactive
-143,48413323,,Inactive,0,,,multisex inactive
-144,48413324,7628,Inactive,0,,,multisex inactive
-145,48413325,23673461,Active,100,,,multisite active; multisex active; multispecies active
-146,48413326,105131,Inactive,0,,,multisex inactive
-147,48413328,6359,Active,100,,,multisite active; multisex active; multispecies active
-148,48413329,6332,Active,100,,,multisite active; multisex active; multispecies active
-149,48413330,10898,Active,30,,,multisex active
-150,48413333,7845,Active,100,,,multisite active; multisex active; multispecies active
-151,48413334,8133,Active,50,,,multisite active; multisex active
-152,48413335,6386,Active,100,,,multisite active; multisex active; multispecies active
-153,48413337,8005,Inactive,0,,,multisex inactive; multispecies inactive
-154,48413338,6950,Inactive,0,,,multisex inactive
-155,48413339,27690,Active,50,,,multisite active; multisex active
-156,48413340,7184,Inactive,0,,,multisex inactive
-157,48413341,19665,Active,50,,,multisite active; multisex active
-158,48413342,6929,Inactive,0,,,multisex inactive
-159,48413345,13362,Active,50,,,multisite active; multisex active
-160,48413346,8456,Active,80,,,multisex active; multispecies active
-161,48413347,31404,Active,20,,,multisite active
-162,48413348,23902,Active,50,,,multisite active; multisex active
-163,48413349,93308,Active,30,,,multisex active
-164,48413350,156920,Active,50,,,multisite active; multisex active
-165,48413351,16043,Inactive,0,,,multisex inactive
-166,48413352,12902,Inactive,0,,,multisex inactive
-167,48413354,11595,Inactive,0,,,multisex inactive; multispecies inactive
-168,48413356,7302,Inactive,0,,,multisex inactive; multispecies inactive
-169,48413357,10986,Inactive,0,,,multisex inactive; multispecies inactive
-170,48413358,24633,Active,50,,,multisite active; multisex active
-171,48413359,5284356,Inactive,0,,,multisex inactive
-172,48413360,5284357,Inactive,0,,,multisex inactive
-173,48413361,24962,Active,30,,,multisex active
-174,48413362,16211218,Inactive,0,,,multispecies inactive
-175,48413363,689043,Active,100,,,multisite active; multisex active; multispecies active
-176,48413364,2519,Inactive,0,,,multisex inactive; multispecies inactive
-177,48413368,13144,Inactive,0,,,multisex inactive
-178,48413371,2540,Inactive,0,,,multisex inactive
-179,48413372,7768,Inactive,0,,,multisex inactive; multispecies inactive
-180,48413373,1548943,Active,30,,,multisex active
-181,48413374,17038,Active,100,,,multisite active; multisex active; multispecies active
-182,48413375,8606,Active,100,,,multisite active; multisex active; multispecies active
-183,48413376,11236,Active,50,,,multisite active; multisex active
-184,48413377,61002,Active,30,,,multisex active
-185,48413378,8480,Inactive,0,,,multisex inactive
-186,48413380,6854,Active,50,,,multisite active; multisex active
-187,48413381,2566,Inactive,0,,,multisex inactive
-188,48413382,5943,Active,100,,,multisite active; multisex active; multispecies active
-189,48413383,43256,Active,50,,,multisite active; multisex active
-190,48413384,6488,Inactive,0,,,multisex inactive; multispecies inactive
-191,48413385,5280489,Inactive,0,,,multisex inactive; multispecies inactive
-192,48413387,,Inactive,0,,,multisex inactive; multispecies inactive
-193,48413388,16724,Inactive,0,,,multisex inactive
-194,48413390,289,Active,80,,,multisex active; multispecies active
-195,48413392,2663,Inactive,0,,,multisex inactive; multispecies inactive
-196,48413393,83927,Inactive,0,,,multisex inactive
-197,48413397,2708,Active,100,,,multisite active; multisex active; multispecies active
-198,48413398,,Inactive,0,,,multisex inactive; multispecies inactive
-199,48413400,8371,Inactive,0,,,multisex inactive
-200,48413401,24860539,Active,30,,,multisex active
-201,48413402,24860540,Active,100,,,multisite active; multisex active; multispecies active
-202,48413403,5284361,Active,100,,,multisite active; multisex active; multispecies active
-203,48413405,61532,Inactive,0,,,multisex inactive
-204,48413406,,Inactive,0,,,multisex inactive; multispecies inactive
-205,48413407,24526,Inactive,0,,,multisex inactive; multispecies inactive
-206,48413409,7578,Active,100,,,multisite active; multisex active; multispecies active
-207,48413410,53665,Active,50,,,multisite active; multisex active
-208,48413412,6,Inactive,0,,,multisex inactive; multispecies inactive
-209,48413413,11241,Active,50,,,multisite active; multisex active
-210,48413414,11241,Active,80,,,multisex active; multispecies active
-211,48413415,6945,Active,30,,,multisex active
-212,48413416,7474,Active,50,,,multisite active; multisex active
-213,48413417,21209,Active,100,,,multisite active; multisex active; multispecies active
-214,48413418,7263,Active,100,,,multisite active; multisex active; multispecies active
-215,48413419,22584,Inactive,0,,,multisex inactive; multispecies inactive
-216,48413420,31370,Inactive,0,,,multisex inactive; multispecies inactive
-217,48413421,7255,Inactive,0,,,multisex inactive; multispecies inactive
-218,48413422,7260,Active,50,,,multisite active; multisex active
-219,48413423,18487,Active,30,,,multisex active
-220,48413424,6408,Active,50,,,multisite active; multisex active
-221,48413425,5694,Active,50,,,multispecies active
-222,48413426,68851,Active,80,,,multisex active; multispecies active
-223,48413428,10757,Inactive,0,,,multisex inactive; multispecies inactive
-224,48413429,8805,Inactive,0,,,multisex inactive; multispecies inactive
-225,48413430,7812,Inactive,0,,,multisex inactive; multispecies inactive
-226,48413431,5284363,Active,70,,,multisite active; multispecies active
-227,48413432,17604,Inactive,0,,,multisex inactive; multispecies inactive
-228,48413434,10522,Active,30,,,multisex active
-229,48413436,6372,Inactive,0,,,multisex inactive; multispecies inactive
-230,48413438,13836,Inactive,0,,,multisex inactive; multispecies inactive
-231,48413440,11643,Active,30,,,multisex active
-232,48413441,6212,Active,100,,,multisite active; multisex active; multispecies active
-233,48413442,7864,Active,50,,,multispecies active
-234,48413443,23392,Inactive,0,,,multisex inactive; multispecies inactive
-235,48413444,23394,Active,80,,,multisex active; multispecies active
-236,48413445,6635,Inactive,0,,,multisex inactive
-237,48413446,8800,Active,20,,,multisite active
-238,48413447,119175,Inactive,0,,,multisex inactive
-239,48413448,25301,Active,20,,,multisite active
-240,48413449,16685,Inactive,0,,,multisex inactive
-241,48413450,6423,Inactive,0,,,multisex inactive
-242,48413451,31369,Active,100,,,multisite active; multisex active; multispecies active
-243,48413452,31369,Inactive,0,,,multisex inactive; multispecies inactive
-244,48413456,15910,Active,30,,,multisex active
-245,48413457,5284365,Active,30,,,multisex active
-246,48413458,5284366,Inactive,0,,,multisex inactive; multispecies inactive
-247,48413459,2727,Inactive,0,,,multisex inactive; multispecies inactive
-248,48413460,,Inactive,0,,,multisex inactive; multispecies inactive
-249,48413461,6536776,Inactive,0,,,multisex inactive
-250,48413462,6209,Inactive,0,,,multispecies inactive
-251,48413464,14012,Inactive,0,,,multisex inactive; multispecies inactive
-252,48413465,2950,Active,70,,,multisite active; multispecies active
-253,48413466,2756,Inactive,0,,,multisex inactive; multispecies inactive
-254,48413467,637511,Inactive,0,,,multisex inactive; multispecies inactive
-255,48413468,5284369,Active,100,,,multisite active; multisex active; multispecies active
-256,48413469,2763,Active,100,,,multisite active; multisex active; multispecies active
-257,48413470,638011,Inactive,0,,,multisex inactive; multispecies inactive
-258,48413473,21606566,Active,20,,,multisite active
-259,48413475,2796,Active,20,,,multisite active
-260,48413477,14992,Inactive,0,,,multisex inactive; multispecies inactive
-261,48413479,61444,Active,100,,,multisite active; multisex active; multispecies active
-262,48413480,5284371,Inactive,0,,,multisex inactive; multispecies inactive
-263,48413482,63257,Inactive,0,,,multisex inactive; multispecies inactive
-264,48413484,472181,Inactive,0,,,multisex inactive
-265,48413485,4403158,Inactive,0,,,multisex inactive
-266,48413486,2871,Inactive,0,,,multisex inactive; multispecies inactive
-267,48413487,323,Active,100,,,multisite active; multisex active; multispecies active
-268,48413488,7610,Active,30,,,multisex active
-269,48413489,8445,Active,100,,,multisite active; multisex active; multispecies active
-270,48413491,2724103,Active,100,,,multisite active; multisex active; multispecies active
-271,48413492,,Inactive,0,,,multisex inactive; multispecies inactive
-272,48413494,10005,Inactive,0,,,multisex inactive
-273,48413495,23665706,Active,50,,,multisite active; multisex active
-274,48413497,25051,Inactive,0,,,multisex inactive
-275,48413498,444041,Inactive,0,,,multisex inactive; multispecies inactive
-276,48413499,7967,Inactive,0,,,multisex inactive; multispecies inactive
-277,48413500,7232,Inactive,0,,,multisex inactive
-278,48413501,2723770,Inactive,0,,,multisex inactive; multispecies inactive
-279,48413502,88275,Inactive,0,,,multisex inactive; multispecies inactive
-280,48413504,154575,Active,30,,,multisex active
-281,48413505,2907,Active,100,,,multisite active; multisex active; multispecies active
-282,48413506,5284373,Inactive,0,,,multisex inactive; multispecies inactive
-283,48413507,9880,Active,50,,,multisite active; multisex active
-284,48413508,60960,Inactive,0,,,multisex inactive
-285,48413509,23665583,Active,50,,,multisite active; multisex active
-286,48413510,5351166,Active,100,,,multisite active; multisex active; multispecies active
-287,48413511,15331,Active,100,,,multisite active; multisex active; multispecies active
-288,48413512,2955,Active,20,,,multisite active
-289,48413513,4211,Inactive,0,,,multisex inactive
-290,48413514,6294,Active,50,,,multisite active; multisex active
-291,48413515,3035,Active,80,,,multisex active; multispecies active
-292,48413516,3036,Active,100,,,multisite active; multisex active; multispecies active
-293,48413517,14410,Active,30,,,multisex active
-294,48413518,14410,Inactive,0,,,multisex inactive
-295,48413520,5881,Active,30,,,multisex active
-296,48413521,14709,Active,30,,,multisex active
-297,48413522,12594,Inactive,0,,,multisex inactive
-298,48413523,40585,Inactive,0,,,multisex inactive; multispecies inactive
-299,48413527,,Inactive,0,,,multisex inactive
-300,48413528,,Active,30,,,multisex active
-301,48413529,,Inactive,0,,,multisex inactive
-302,48413530,,Inactive,0,,,multisex inactive
-303,48413531,44293,Active,20,,,multisite active
-304,48413532,72884,Inactive,0,,,multisex inactive
-305,48413534,8560,Inactive,0,,,multisex inactive; multispecies inactive
-306,48413535,21242,Active,50,,,multisite active; multisex active
-307,48413536,168474,Active,30,,,multisex active
-308,48413537,27821,Active,80,,,multisex active; multispecies active
-309,48413539,5284377,Inactive,0,,,multisex inactive; multispecies inactive
-310,48413540,38221,Active,100,,,multisite active; multisex active; multispecies active
-311,48413541,10855,Inactive,0,,,multisex inactive
-312,48413542,69917,Inactive,0,,,multisex inactive
-313,48413544,7261,Active,100,,,multisite active; multisex active; multispecies active
-314,48413545,71557,Active,100,,,multisite active; multisex active; multispecies active
-315,48413546,27324,Inactive,0,,,multisex inactive; multispecies inactive
-316,48413547,22856,Inactive,0,,,multisex inactive; multispecies inactive
-317,48413548,3016,Inactive,0,,,multisex inactive; multispecies inactive
-318,48413549,3017,Inactive,0,,,multisex inactive; multispecies inactive
-319,48413552,9216,Inactive,0,,,multisex inactive; multispecies inactive
-320,48413554,3036234,Inactive,0,,,multisex inactive
-321,48413555,7280,Active,100,,,multisite active; multisex active; multispecies active
-322,48413556,5284380,Active,100,,,multisite active; multisex active; multispecies active
-323,48413557,7839,Active,100,,,multisite active; multisex active; multispecies active
-324,48413558,5284381,Active,100,,,multisite active; multisex active; multispecies active
-325,48413559,154903,Inactive,0,,,multisex inactive
-326,48413560,92352,Active,20,,,multisite active
-327,48413561,16682740,Inactive,0,,,multisex inactive; multispecies inactive
-328,48413565,2771871,Inactive,0,,,multisex inactive
-329,48413566,16560,Inactive,0,,,multisex inactive
-330,48413567,8342,Inactive,0,,,multisex inactive
-331,48413568,7430,Inactive,0,,,multisex inactive
-332,48413569,11860,Active,30,,,multisex active
-333,48413570,6597,Active,80,,,multisex active; multispecies active
-334,48413571,24227,Active,100,,,multisite active; multisex active; multispecies active
-335,48413572,7239,Inactive,0,,,multisex inactive; multispecies inactive
-336,48413573,4685,Active,100,,,multisite active; multisex active; multispecies active
-337,48413574,7070,Active,100,,,multisite active; multisex active; multispecies active
-338,48413576,642197,Active,30,,,multisex active
-339,48413578,36613,Inactive,0,,,multisex inactive; multispecies inactive
-340,48413579,6391,Inactive,0,,,multisex inactive; multispecies inactive
-341,48413580,6625,Inactive,0,,,multisex inactive; multispecies inactive
-342,48413581,6365,Inactive,0,,,multisex inactive; multispecies inactive
-343,48413582,11,Active,100,,,multisite active; multisex active; multispecies active
-344,48413583,8449,Inactive,0,,,multisex inactive; multispecies inactive
-345,48413584,8427,Inactive,0,,,multisex inactive
-346,48413585,97971,Inactive,0,,,multisex inactive
-347,48413586,1486,Inactive,0,,,multisex inactive; multispecies inactive
-348,48413587,7206,Inactive,0,,,multisex inactive
-349,48413588,61286,Inactive,0,,,multisex inactive
-350,48413589,7173,Inactive,0,,,multisex inactive
-351,48413590,3120,Inactive,0,,,multisex inactive
-352,48413591,7327,Inactive,0,,,multisex inactive
-353,48413592,6564,Active,30,,,multisex active
-354,48413593,3039,Active,100,,,multisite active; multisex active; multispecies active
-355,48413596,727200,Inactive,0,,,multisex inactive; multispecies inactive
-356,48413597,6673,Inactive,0,,,multisex inactive; multispecies inactive
-357,48413598,969491,Active,30,,,multisex active
-358,48413599,557083,Inactive,0,,,multisex inactive; multispecies inactive
-359,48413603,4284,Inactive,0,,,multisex inactive; multispecies inactive
-360,48413604,2730,Inactive,0,,,multisex inactive
-361,48413607,636417,Inactive,0,,,multisex inactive; multispecies inactive
-362,48413611,448537,Active,100,,,multisite active; multisex active; multispecies active
-363,48413612,2735009,Active,30,,,multisex active
-364,48413613,3009,Inactive,0,,,multisex inactive
-365,48413614,12342,Active,30,,,multisex active
-366,48413615,30717,Active,50,,,multisite active; multisex active
-367,48413616,7586,Active,80,,,multisex active; multispecies active
-368,48413620,660,Active,100,,,multisite active; multisex active; multispecies active
-369,48413621,7197,Active,100,,,multisite active; multisex active; multispecies active
-370,48413624,590836,Active,100,,,multisite active; multisex active; multispecies active
-371,48413625,636407,Inactive,0,,,multisex inactive
-372,48413627,3082,Inactive,0,,,multisex inactive; multispecies inactive
-373,48413628,13232,Active,20,,,multisite active
-374,48413629,13232,Inactive,0,,,multisex inactive; multispecies inactive
-375,48413630,5377410,Active,70,,,multisite active; multispecies active
-376,48413631,5284385,Inactive,0,,,multisex inactive; multispecies inactive
-377,48413632,7069,Active,50,,,multisite active; multisex active
-378,48413633,62311,Active,100,,,multisite active; multisex active; multispecies active
-379,48413638,25815,Inactive,0,,,multisex inactive
-380,48413641,6327114,Active,20,,,multisite active
-381,48413643,11698,Active,30,,,multisex active
-382,48413644,164530,Active,20,,,multisite active
-383,48413646,8441,Inactive,0,,,multisex inactive; multispecies inactive
-384,48413647,31374,Inactive,0,,,multisex inactive; multispecies inactive
-385,48413648,39371,Active,30,,,multisex active
-386,48413649,14184,Inactive,0,,,multisex inactive; multispecies inactive
-387,48413650,5284387,Active,20,,,multisite active
-388,48413651,22499,Inactive,0,,,multisex inactive
-389,48413652,6009,Inactive,0,,,multisex inactive
-390,48413654,5284388,Active,20,,,multisite active
-391,48413660,108938,Active,100,,,multisite active; multisex active; multispecies active
-392,48413661,6598,Active,100,,,multisite active; multisex active; multispecies active
-393,48413662,221511,Inactive,0,,,multisex inactive
-394,48413663,15433,Inactive,0,,,multisex inactive
-395,48413664,6228,Inactive,0,,,multisex inactive; multispecies inactive
-396,48413665,5976,Active,100,,,multisite active; multisex active; multispecies active
-397,48413666,9380,Active,100,,,multisite active; multisex active; multispecies active
-398,48413667,92248,Active,20,,,multisite active
-399,48413668,20120,Active,50,,,multisite active; multisex active
-400,48413670,10555,Active,100,,,multisite active; multisex active; multispecies active
-401,48413671,147300,Inactive,0,,,multisex inactive
-402,48413672,5284389,Inactive,0,,,multisex inactive
-403,48413676,41473,Active,20,,,multisite active
-404,48413678,8819,Active,30,,,multisex active
-405,48413681,8461,Active,100,,,multisite active; multisex active; multispecies active
-406,48413682,8461,Inactive,0,,,multisex inactive; multispecies inactive
-407,48413684,31275,Active,100,,,multisite active; multisex active; multispecies active
-408,48413685,6531,Inactive,0,,,multisex inactive; multispecies inactive
-409,48413686,70414,Inactive,0,,,multisex inactive
-410,48413687,252237,Active,30,,,multisex active
-411,48413688,8980,Inactive,0,,,multisex inactive; multispecies inactive
-412,48413689,6319,Inactive,0,,,multisex inactive; multispecies inactive
-413,48413690,6837,Inactive,0,,,multisex inactive
-414,48413691,7597,Inactive,0,,,multisex inactive
-415,48413694,6537503,Inactive,0,,,multisex inactive; multispecies inactive
-416,48413695,522325,Active,30,,,multisex active
-417,48413696,20819,Inactive,0,,,multisex inactive
-418,48413697,2724564,Inactive,0,,,multisex inactive; multispecies inactive
-419,48413700,17110,Inactive,0,,,multisex inactive
-420,48413703,38668,Inactive,0,,,multisex inactive
-421,48413704,11224,Active,100,,,multisite active; multisex active; multispecies active
-422,48413705,19212,Active,50,,,multisite active; multisex active
-423,48413706,,Inactive,0,,,multisex inactive; multispecies inactive
-424,48413707,,Inactive,0,,,multisex inactive; multispecies inactive
-425,48413708,5284392,Inactive,0,,,multisex inactive; multispecies inactive
-426,48413709,163838,Inactive,0,,,multisex inactive; multispecies inactive
-427,48413711,,Active,50,,,multisite active; multisex active
-428,48413713,3220,Inactive,0,,,multisex inactive; multispecies inactive
-429,48413714,,Inactive,0,,,multisex inactive; multispecies inactive
-430,48413715,3224,Inactive,0,,,multisex inactive; multispecies inactive
-431,48413716,12358480,Inactive,0,,,multisex inactive; multispecies inactive
-432,48413717,3226,Inactive,0,,,multisex inactive
-433,48413719,6231,Inactive,0,,,multisex inactive
-434,48413720,5359318,Inactive,0,,,multisex inactive; multispecies inactive
-435,48413721,7835,Active,30,,,multisex active
-436,48413724,7834,Active,20,,,multisite active
-437,48413725,54680695,Inactive,0,,,multisex inactive; multispecies inactive
-438,48413726,5284394,Inactive,0,,,multisex inactive; multispecies inactive
-439,48413727,3261,Inactive,0,,,multisex inactive; multispecies inactive
-440,48413729,31586,Active,50,,,multisite active; multisex active
-441,48413734,6205,Active,80,,,multisex active; multispecies active
-442,48413737,3293,Inactive,0,,,multisex inactive
-443,48413738,8821,Active,80,,,multisex active; multispecies active
-444,48413739,702,Active,20,,,multisite active
-445,48413740,519246,Active,20,,,multisite active
-446,48413741,152160,Active,20,,,multisite active
-447,48413744,6295,Inactive,0,,,multisex inactive; multispecies inactive
-448,48413745,53145,Active,50,,,multisite active; multisex active
-449,48413746,6501,Inactive,0,,,multisex inactive
-450,48413747,5359974,Active,20,,,multisite active
-451,48413748,12967,Active,50,,,multisite active; multisex active
-452,48413749,519829,Inactive,0,,,multisex inactive; multispecies inactive
-453,48413751,7500,Active,100,,,multisite active; multisex active; multispecies active
-454,48413752,174,Inactive,0,,,multisex inactive
-455,48413754,9033,Active,50,,,multisite active; multisex active
-456,48413755,6354,Active,100,,,multisite active; multisex active; multispecies active
-457,48413756,2723650,Active,100,,,multisite active; multisex active; multispecies active
-458,48413757,8453,Inactive,0,,,multisex inactive
-459,48413758,3032297,Inactive,0,,,multisex inactive
-460,48413761,7641,Active,30,,,multisex active
-461,48413762,8343,Active,80,,,multisex active; multispecies active
-462,48413763,29061,Active,50,,,multisite active; multisex active
-463,48413764,124535,Active,100,,,multisite active; multisex active; multispecies active
-464,48413765,154041,Active,100,,,multisite active; multisex active; multispecies active
-465,48413766,93203,Active,30,,,multisex active
-466,48413769,9270,Inactive,0,,,multispecies inactive
-467,48413770,3308,Inactive,0,,,multisex inactive; multispecies inactive
-468,48413772,3314,Inactive,0,,,multisex inactive; multispecies inactive
-469,48413773,59694,Inactive,0,,,multisex inactive
-470,48413774,23668198,Inactive,0,,,multisex inactive; multispecies inactive
-471,48413775,3346,Inactive,0,,,multisex inactive; multispecies inactive
-472,48413776,3347,Inactive,0,,,multisex inactive; multispecies inactive
-473,48413777,166033,Inactive,0,,,multisex inactive
-474,48413778,5284396,Inactive,0,,,multisex inactive
-475,48413779,26710,Inactive,0,,,multisex inactive
-476,48413781,41022,Inactive,0,,,multisex inactive; multispecies inactive
-477,48413783,16562,Inactive,0,,,multisex inactive; multispecies inactive
-478,48413784,9690,Active,20,,,multisite active
-479,48413785,5235,Inactive,0,,,multisex inactive; multispecies inactive
-480,48413786,9462,Active,30,,,multisex active
-481,48413789,3385,Active,50,,,multisite active; multisex active
-482,48413790,62857,Inactive,0,,,multisex inactive; multispecies inactive
-483,48413792,712,Active,100,,,multisite active; multisex active; multispecies active
-484,48413795,3607071,Active,100,,,multisite active; multisex active; multispecies active
-485,48413797,12229,Active,30,,,multisex active
-486,48413799,62314,Active,100,,,multisite active; multisex active; multispecies active
-487,48413801,8029,Active,100,,,multisite active; multisex active; multispecies active
-488,48413802,7362,Active,80,,,multisex active; multispecies active
-489,48413803,7361,Active,70,,,multisite active; multispecies active
-490,48413807,37147,Inactive,0,,,multisex inactive
-491,48413809,11057,Active,50,,,multisite active; multisex active
-492,48413810,1549026,Inactive,0,,,multisex inactive; multispecies inactive
-493,48413811,,Inactive,0,,,multispecies inactive
-494,48413812,6466,Inactive,0,,,multisex inactive
-495,48413813,49971,Active,100,,,multisite active; multisex active; multispecies active
-496,48413814,49970,Active,100,,,multisite active; multisex active; multispecies active
-497,48413817,439517,Inactive,0,,,multisex inactive
-498,48413818,3485,Inactive,0,,,multisex inactive; multispecies inactive
-499,48413821,7290,Inactive,0,,,multisex inactive
-500,48413823,11164,Active,100,,,multisite active; multisex active; multispecies active
-501,48413827,5284399,Inactive,0,,,multisex inactive
-502,48413828,20803,Active,50,,,multisite active; multisex active
-503,48413830,16887,Inactive,0,,,multisex inactive; multispecies inactive
-504,48413831,441140,Active,50,,,multisite active; multisex active
-505,48413832,,Inactive,0,,,multisex inactive; multispecies inactive
-506,48413833,,Inactive,0,,,multisex inactive; multispecies inactive
-507,48413834,29575,Active,80,,,multisex active; multispecies active
-508,48413836,3589,Active,30,,,multisex active
-509,48413837,14276,Inactive,0,,,multisex inactive
-510,48413839,8370,Active,100,,,multisite active; multisex active; multispecies active
-511,48413840,6901,Active,30,,,multisex active
-512,48413841,727,Active,50,,,multispecies active
-513,48413842,727,Active,30,,,multisex active
-514,48413843,727,Active,50,,,multisite active; multisex active
-515,48413844,727,Active,30,,,multisex active
-516,48413845,6478,Inactive,0,,,multisex inactive; multispecies inactive
-517,48413846,6214,Active,100,,,multisite active; multisex active; multispecies active
-518,48413847,3598,Inactive,0,,,multisex inactive; multispecies inactive
-519,48413848,637564,Active,80,,,multisex active; multispecies active
-520,48413849,16556,Inactive,0,,,multisex inactive
-521,48413850,4101,Inactive,0,,,multisex inactive; multispecies inactive
-522,48413851,62361,Active,20,,,multisite active
-523,48413853,9556443,Active,50,,,multisite active; multisex active
-524,48413857,146461,Active,50,,,multisite active; multisex active
-525,48413858,3610,Inactive,0,,,multisex inactive; multispecies inactive
-526,48413859,66091,Inactive,0,,,multisex inactive
-527,48413860,,Inactive,0,,,multisex inactive
-528,48413861,9321,Active,100,,,multisite active; multisex active; multispecies active
-529,48413862,24842,Active,100,,,multisite active; multisex active; multispecies active
-530,48413863,93098,Active,70,,,multisite active; multispecies active
-531,48413864,4021704,Active,70,,,multisite active; multispecies active
-532,48413865,4373502,Active,70,,,multisite active; multispecies active
-533,48413868,90547,Active,30,,,multisex active
-534,48413869,31222,Active,100,,,multisite active; multisex active; multispecies active
-535,48413871,9385,Active,50,,,multisite active; multisex active
-536,48413872,3639,Inactive,0,,,multisex inactive; multispecies inactive
-537,48413873,5754,Inactive,0,,,multisex inactive
-538,48413875,785,Active,100,,,multisite active; multisex active; multispecies active
-539,48413876,7638,Inactive,0,,,multisex inactive
-540,48413878,5896,Active,100,,,multisite active; multisex active; multispecies active
-541,48413881,8512,Active,20,,,multisite active
-542,48413884,124536,Active,50,,,multisite active; multisex active
-543,48413885,83695,Active,100,,,multisite active; multisex active; multispecies active
-544,48413888,123019,Active,30,,,multisex active
-545,48413889,1923,Inactive,0,,,multisex inactive; multispecies inactive
-546,48413890,21268,Active,100,,,multisite active; multisex active; multispecies active
-547,48413892,30623,Active,70,,,multisite active; multispecies active
-548,48413893,134778,Active,80,,,multisex active; multispecies active
-549,48413894,5284401,Inactive,0,,,multisex inactive; multispecies inactive
-550,48413895,23681167,Inactive,0,,,multisex inactive
-551,48413897,802,Inactive,0,,,multisex inactive
-552,48413898,5284402,Active,30,,,multisex active
-553,48413900,21852,Active,100,,,multisite active; multisex active; multispecies active
-554,48413902,6374,Inactive,0,,,multisex inactive; multispecies inactive
-555,48413903,5284403,Inactive,0,,,multisex inactive
-556,48413904,53462,Active,100,,,multisite active; multisex active; multispecies active
-557,48413905,5284404,Active,20,,,multisite active
-558,48413907,5281734,Active,30,,,multisex active
-559,48413909,20240,Inactive,0,,,multisex inactive
-560,48413910,10958,Active,80,,,multisex active; multispecies active
-561,48413912,6561,Inactive,0,,,multisex inactive; multispecies inactive
-562,48413913,3763,Inactive,0,,,multisex inactive
-563,48413914,88735,Inactive,0,,,multisex inactive
-564,48413915,55690,Active,30,,,multisex active
-565,48413916,3767,Active,100,,,multisite active; multisex active; multispecies active
-566,48413917,15074,Inactive,0,,,multisex inactive
-567,48413918,5922,Inactive,0,,,multisex inactive; multispecies inactive
-568,48413919,5479610,Active,20,,,multisite active
-569,48413920,6544,Active,20,,,multisite active
-570,48413921,3690,Active,100,,,multisite active; multisex active; multispecies active
-571,48413922,6557,Active,100,,,multisite active; multisex active; multispecies active
-572,48413923,3776,Inactive,0,,,multisex inactive; multispecies inactive
-573,48413924,7574,Inactive,0,,,multisex inactive
-574,48413925,2728,Inactive,0,,,multisex inactive; multispecies inactive
-575,48413926,8393,Inactive,0,,,multisex inactive
-576,48413927,24685,Inactive,0,,,multisex inactive; multispecies inactive
-577,48413928,637796,Inactive,0,,,multisex inactive
-578,48413930,5284579,Inactive,0,,,multisex inactive
-579,48413931,5280863,Inactive,0,,,multisex inactive
-580,48413933,299,Active,80,,,multisex active; multispecies active
-581,48413935,3840,Active,30,,,multisex active
-582,48413936,6321388,Active,50,,,multisite active; multisex active
-583,48413938,16717614,Active,80,,,multisex active; multispecies active
-584,48413939,519623,Inactive,0,,,multisex inactive; multispecies inactive
-585,48413941,5284409,Inactive,0,,,multisex inactive; multispecies inactive
-586,48413943,9903,Inactive,0,,,multisex inactive; multispecies inactive
-587,48413944,,Inactive,0,,,multisex inactive; multispecies inactive
-588,48413945,30667,Inactive,0,,,multisex inactive
-589,48413946,39562,Inactive,0,,,multisex inactive
-590,48413947,54690031,Inactive,0,,,multisex inactive
-591,48413948,53232,Active,50,,,multisite active; multisex active
-592,48413949,55473,Active,30,,,multisex active
-593,48413950,6321389,Active,30,,,multisex active
-594,48413951,30840,Active,30,,,multisex active
-595,48413953,643991,Inactive,0,,,multisex inactive
-596,48413954,15415,Inactive,0,,,multisex inactive; multispecies inactive
-597,48413955,4004,Inactive,0,,,multisex inactive; multispecies inactive
-598,48413956,21954,Inactive,0,,,multisex inactive; multispecies inactive
-599,48413957,23665729,Active,100,,,multisite active; multisex active; multispecies active
-600,48413959,177577,Inactive,0,,,multisex inactive; multispecies inactive
-601,48413960,150762,Inactive,0,,,multisex inactive; multispecies inactive
-602,48413961,6251,Inactive,0,,,multisex inactive; multispecies inactive
-603,48413963,5284415,Active,100,,,multisite active; multisex active; multispecies active
-604,48413964,62274,Active,50,,,multisite active; multisex active
-605,48413965,62275,Active,100,,,multisite active; multisex active; multispecies active
-606,48413967,54677470,Inactive,0,,,multisex inactive
-607,48413968,460612,Active,100,,,multisite active; multisex active; multispecies active
-608,48413969,1254,Inactive,0,,,multisex inactive; multispecies inactive
-609,48413971,697993,Active,50,,,multisite active; multisex active
-610,48413972,9071,Inactive,0,,,multisex inactive
-611,48413974,667490,Inactive,0,,,multisex inactive
-612,48413978,6291,Inactive,0,,,multisex inactive
-613,48413980,31368,Inactive,0,,,multisex inactive; multispecies inactive
-614,48413981,21563,Inactive,0,,,multisex inactive
-615,48413982,10306,Inactive,0,,,multisex inactive
-616,48413983,8667,Active,30,,,multisex active
-617,48413985,1349907,Active,30,,,multisex active
-618,48413986,876,Inactive,0,,,multispecies inactive
-619,48413987,126941,Inactive,0,,,multisex inactive; multispecies inactive
-620,48413988,3036177,Inactive,0,,,multisex inactive
-621,48413990,22086,Active,50,,,multisite active; multisex active
-622,48413992,4115,Inactive,0,,,multisex inactive; multispecies inactive
-623,48413993,9015,Active,30,,,multisex active
-624,48413994,107202,Inactive,0,,,multisex inactive
-625,48413995,4114,Active,20,,,multisite active
-626,48413996,152014,Active,20,,,multisite active
-627,48413997,6323,Inactive,0,,,multisex inactive; multispecies inactive
-628,48413998,15413,Active,100,,,multisite active; multisex active; multispecies active
-629,48413999,11722,Active,30,,,multisex active
-630,48414000,80519,Inactive,0,,,multisex inactive
-631,48414001,7204,Inactive,0,,,multisex inactive; multispecies inactive
-632,48414002,30602,Active,100,,,multisite active; multisex active; multispecies active
-633,48414003,5284417,Active,20,,,multisite active
-634,48414006,12962,Active,100,,,multisite active; multisex active; multispecies active
-635,48414007,5284419,Inactive,0,,,multisex inactive
-636,48414010,6658,Inactive,0,,,multisex inactive; multispecies inactive
-637,48414011,4156,Active,20,,,multisite active
-638,48414012,9562060,Active,100,,,multisite active; multisex active; multispecies active
-639,48414013,31426,Active,100,,,multisite active; multisex active; multispecies active
-640,48414015,5284422,Active,30,,,multisex active
-641,48414016,44486,Active,50,,,multisite active; multisex active
-642,48414017,107919,Active,50,,,multisite active; multisex active
-643,48414021,4130,Inactive,0,,,multisex inactive; multispecies inactive
-644,48414022,13387,Active,30,,,multisex active
-645,48414023,67955,Inactive,0,,,multisex inactive
-646,48414024,102175,Inactive,0,,,multisex inactive
-647,48414026,9556442,Active,50,,,multisite active; multisex active
-648,48414027,9958,Active,30,,,multisex active
-649,48414029,38852,Inactive,0,,,multisex inactive; multispecies inactive
-650,48414030,156320,Inactive,0,,,multisex inactive
-651,48414031,7543,Active,100,,,multisite active; multisex active; multispecies active
-652,48414033,13283,Active,50,,,multisite active; multisex active
-653,48414034,6344,Active,100,,,multisite active; multisex active; multispecies active
-654,48414035,7567,Active,100,,,multisite active; multisex active; multispecies active
-655,48414036,8398,Inactive,0,,,multisex inactive
-656,48414037,26108,Active,100,,,multisite active; multisex active; multispecies active
-657,48414038,5324275,Active,50,,,multispecies active
-658,48414039,7127,Active,100,,,multisite active; multisex active; multispecies active
-659,48414042,6061,Active,100,,,multisite active; multisex active; multispecies active
-660,48414043,9323,Active,30,,,multisex active
-661,48414045,12749,Active,100,,,multisite active; multisex active; multispecies active
-662,48414046,7002,Inactive,0,,,multisex inactive
-663,48414047,7055,Inactive,0,,,multisex inactive
-664,48414048,421670,Active,30,,,multisex active
-665,48414049,104856,Active,20,,,multisite active
-666,48414050,47289,Active,20,,,multisite active
-667,48414052,135121,Active,50,,,multisite active; multisex active
-668,48414054,13543,Active,50,,,multisite active; multisex active
-669,48414055,9280,Active,30,,,multisex active
-670,48414056,7059,Inactive,0,,,multisex inactive
-671,48414057,11910,Inactive,0,,,multisex inactive
-672,48414058,12161,Inactive,0,,,multisex inactive
-673,48414060,22047,Inactive,0,,,multisex inactive
-674,48414061,5284484,Inactive,0,,,multisex inactive; multispecies inactive
-675,48414062,4173,Active,100,,,multisite active; multisex active; multispecies active
-676,48414063,9414,Inactive,0,,,multisex inactive; multispecies inactive
-677,48414064,7031,Active,100,,,multisite active; multisex active; multispecies active
-678,48414065,16945,Active,100,,,multisite active; multisex active; multispecies active
-679,48414067,5282381,Inactive,0,,,multisex inactive; multispecies inactive
-680,48414068,5746,Active,30,,,multisex active
-681,48414069,14802,Active,30,,,multisex active
-682,48414070,14039,Active,30,,,multisex active
-683,48414071,300,Inactive,0,,,multisex inactive; multispecies inactive
-684,48414073,8948,Inactive,0,,,multisex inactive; multispecies inactive
-685,48414075,23672344,Inactive,0,,,multisex inactive
-686,48414077,23672308,Inactive,0,,,multisex inactive; multispecies inactive
-687,48414078,23690498,Inactive,0,,,multisex inactive
-688,48414080,9595286,Active,20,,,multisite active
-689,48414082,19592,Active,50,,,multisite active; multisex active
-690,48414083,4421,Active,50,,,multisite active; multisex active
-691,48414084,931,Active,100,,,multisite active; multisex active; multispecies active
-692,48414085,6861,Inactive,0,,,multisex inactive
-693,48414086,6862,Inactive,0,,,multisex inactive
-694,48414087,16720,Active,100,,,multisite active; multisex active; multispecies active
-695,48414088,15106,Inactive,0,,,multisex inactive; multispecies inactive
-696,48414089,7142,Inactive,0,,,multisex inactive
-697,48414090,736366,Inactive,0,,,multisex inactive
-698,48414092,7057,Active,100,,,multisite active; multisex active; multispecies active
-699,48414093,6670,Inactive,0,,,multisex inactive
-700,48414094,71157,Inactive,0,,,multisex inactive; multispecies inactive
-701,48414095,,Inactive,0,,,multisex inactive
-702,48414096,935,Inactive,0,,,multisex inactive
-703,48414097,9756,Inactive,0,,,multisex inactive
-704,48414098,4523766,Inactive,0,,,multisex inactive
-705,48414099,5284429,Inactive,0,,,multisex inactive; multispecies inactive
-706,48414100,936,Inactive,0,,,multisex inactive
-707,48414101,89594,Inactive,0,,,multisex inactive
-708,48414102,5284430,Inactive,0,,,multisex inactive
-709,48414103,938,Inactive,0,,,multisex inactive
-710,48414104,11112,Active,30,,,multisex active
-711,48414105,,Inactive,0,,,multisex inactive
-712,48414107,8776,Active,100,,,multisite active; multisex active; multispecies active
-713,48414108,24268,Inactive,0,,,multisex inactive
-714,48414110,8758,Active,100,,,multisite active; multisex active; multispecies active
-715,48414111,29194,Active,50,,,multisite active; multisex active
-716,48414112,23668193,Active,50,,,multisite active; multisex active
-717,48414114,7447,Active,100,,,multisite active; multisex active; multispecies active
-718,48414115,5447130,Active,70,,,multisite active; multispecies active
-719,48414118,156324,Active,100,,,multisite active; multisex active; multispecies active
-720,48414120,118916,Active,20,,,multisite active
-721,48414121,17405,Active,70,,,multisite active; multispecies active
-722,48414122,107987,Active,20,,,multisite active
-723,48414123,10753,Active,100,,,multisite active; multisex active; multispecies active
-724,48414124,32486,Active,100,,,multisite active; multisex active; multispecies active
-725,48414126,5284432,Active,50,,,multispecies active
-726,48414127,5104,Inactive,0,,,multisex inactive; multispecies inactive
-727,48414129,5111791,Inactive,0,,,multisex inactive; multispecies inactive
-728,48414130,7444,Active,50,,,multisite active; multisex active
-729,48414131,11769,Active,100,,,multisite active; multisex active; multispecies active
-730,48414132,7475,Inactive,0,,,multisex inactive; multispecies inactive
-731,48414133,7048,Active,100,,,multisite active; multisex active; multispecies active
-732,48414134,12076,Inactive,0,,,multisex inactive; multispecies inactive
-733,48414135,7416,Active,100,,,multisite active; multisex active; multispecies active
-734,48414136,7195,Active,30,,,multisex active
-735,48414140,6587,Inactive,0,,,multisex inactive
-736,48414141,15787,Active,100,,,multisite active; multisex active; multispecies active
-737,48414142,11831,Active,20,,,multisite active
-738,48414143,6604200,Active,100,,,multisite active; multisex active; multispecies active
-739,48414144,9568055,Active,20,,,multisite active
-740,48414148,6375,Active,100,,,multisite active; multisex active; multispecies active
-741,48414149,6849,Inactive,0,,,multisex inactive; multispecies inactive
-742,48414151,7903,Inactive,0,,,multisex inactive
-743,48414152,398,Inactive,0,,,multisex inactive
-744,48414153,1678,Inactive,0,,,multisex inactive; multispecies inactive
-745,48414154,21694,Active,20,,,multisite active
-746,48414155,11945,Inactive,0,,,multisex inactive
-747,48414156,11830,Active,30,,,multisex active
-748,48414158,54990,Active,50,,,multisite active; multisex active
-749,48414159,124937,Inactive,0,,,multisex inactive
-750,48414160,85598,Active,30,,,multisex active
-751,48414161,150285,Active,70,,,multisite active; multispecies active
-752,48414162,3792964,Active,70,,,multisite active; multispecies active
-753,48414165,124537,Active,50,,,multisite active; multisex active
-754,48414167,124538,Active,30,,,multisex active
-755,48414168,135654,Active,20,,,multisite active
-756,48414171,41320,Active,50,,,multisite active; multisex active
-757,48414174,83271,Active,20,,,multisite active
-758,48414175,115083,Active,20,,,multisite active
-759,48414176,53394,Active,20,,,multisite active
-760,48414177,12699,Active,70,,,multisite active; multispecies active
-761,48414178,148247,Active,20,,,multisite active
-762,48414179,3794522,Active,70,,,multisite active; multispecies active
-763,48414181,41470,Active,20,,,multisite active
-764,48414182,54806,Active,20,,,multisite active
-765,48414184,150692,Active,100,,,multisite active; multisex active; multispecies active
-766,48414185,137413,Active,20,,,multisite active
-767,48414186,124480,Active,20,,,multisite active
-768,48414187,124481,Active,70,,,multisite active; multispecies active
-769,48414188,124479,Active,20,,,multisite active
-770,48414189,46335,Active,20,,,multisite active
-771,48414190,14335,Active,30,,,multisex active
-772,48414192,40828,Active,50,,,multisite active; multisex active
-773,48414193,43371,Active,50,,,multisite active; multisex active
-774,48414194,12267,Inactive,0,,,multisex inactive
-775,48414195,40094,Inactive,0,,,multisex inactive
-776,48414196,52445,Inactive,0,,,multisex inactive; multispecies inactive
-777,48414197,13542,Active,70,,,multisite active; multispecies active
-778,48414198,14223,Active,50,,,multisite active; multisex active
-779,48414199,5921,Active,100,,,multisite active; multisex active; multispecies active
-780,48414200,6124,Active,100,,,multisite active; multisex active; multispecies active
-781,48414201,6838,Active,30,,,multisex active
-782,48414202,9074,Active,50,,,multispecies active
-783,48414203,12130,Active,70,,,multisite active; multispecies active
-784,48414205,38523,Active,30,,,multisex active
-785,48414206,28638,Active,20,,,multisite active
-786,48414207,25418,Active,20,,,multisite active
-787,48414208,11977,Active,20,,,multisite active
-788,48414210,30360,Active,20,,,multisite active
-789,48414211,13613,Active,50,,,multisite active; multisex active
-790,48414212,93239,Active,50,,,multisite active; multisex active
-791,48414213,61873,Inactive,0,,,multisex inactive
-792,48414214,32784,Inactive,0,,,multisex inactive
-793,48414216,128823,Active,70,,,multisite active; multispecies active
-794,48414217,33646,Active,20,,,multisite active
-795,48414218,125833,Active,50,,,multisite active; multisex active
-796,48414219,107719,Active,50,,,multisite active; multisex active
-797,48414220,104910,Active,50,,,multisite active; multisex active
-798,48414221,47919,Active,50,,,multisite active; multisex active
-799,48414225,11957,Active,30,,,multisex active
-800,48414226,41474,Inactive,0,,,multisex inactive
-801,48414227,129276,Active,20,,,multisite active
-802,48414228,6046,Active,100,,,multisite active; multisex active; multispecies active
-803,48414229,27919,Active,100,,,multisite active; multisex active; multispecies active
-804,48414230,127579,Active,50,,,multisite active; multisex active
-805,48414231,20614,Inactive,0,,,multisex inactive
-806,48414232,21845,Active,50,,,multisite active; multisex active
-807,48414233,7526,Active,100,,,multisite active; multisex active; multispecies active
-808,48414234,10419304,Inactive,0,,,multisex inactive
-809,48414235,13591,Active,100,,,multisite active; multisex active; multispecies active
-810,48414236,54779,Active,20,,,multisite active
-811,48414237,33535,Active,50,,,multisite active; multisex active
-812,48414238,11909,Active,20,,,multisite active
-813,48414239,6944,Active,100,,,multisite active; multisex active; multispecies active
-814,48414241,948,Inactive,0,,,multisex inactive
-815,48414243,34004,Active,30,,,multisex active
-816,48414244,6231,Inactive,0,,,multisex inactive
-817,48414246,5832,Active,70,,,multisite active; multispecies active
-818,48414247,7187,Inactive,0,,,multispecies inactive
-819,48414248,442530,Active,100,,,multisite active; multisex active; multispecies active
-820,48414249,34466,Inactive,0,,,multisex inactive; multispecies inactive
-821,48414252,23665730,Inactive,0,,,multisex inactive
-822,48414253,,Inactive,0,,,multisex inactive; multispecies inactive
-823,48414254,47318,Inactive,0,,,multisex inactive
-824,48414255,4594,Active,30,,,multisex active
-825,48414257,9566064,Inactive,0,,,multisex inactive; multispecies inactive
-826,48414259,5282164,Inactive,0,,,multisex inactive; multispecies inactive
-827,48414260,132303,Active,30,,,multisex active
-828,48414262,9595287,Inactive,0,,,multisex inactive; multispecies inactive
-829,48414263,4616,Active,50,,,multisite active; multisex active
-830,48414264,18355,Active,20,,,multisite active
-831,48414266,135720,Active,30,,,multisex active
-832,48414267,119557,Active,30,,,multisex active
-833,48414269,71172,Inactive,0,,,multisex inactive; multispecies inactive
-834,48414270,7579,Active,100,,,multisite active; multisex active; multispecies active
-835,48414271,83700,Active,50,,,multisite active; multisex active
-836,48414272,7619,Inactive,0,,,multisex inactive
-837,48414273,5281034,Active,20,,,multisite active
-838,48414274,54680782,Inactive,0,,,multisex inactive; multispecies inactive
-839,48414276,119153,Inactive,0,,,multisex inactive
-840,48414277,991,Inactive,0,,,multisex inactive; multispecies inactive
-841,48414279,23676814,Inactive,0,,,multisex inactive; multispecies inactive
-842,48414280,15767,Active,70,,,multisite active; multispecies active
-843,48414281,6419,Active,30,,,multisex active
-844,48414283,992,Active,20,,,multisite active
-845,48414284,992,Active,50,,,multisite active; multisex active
-846,48414285,992,Active,100,,,multisite active; multisex active; multispecies active
-847,48414286,6518,Inactive,0,,,multisex inactive; multispecies inactive
-848,48414287,9570634,Active,50,,,multisite active; multisex active
-849,48414289,5284438,Active,20,,,multisite active
-850,48414291,5284439,Inactive,0,,,multisex inactive
-851,48414292,5284440,Active,50,,,multisite active; multisex active
-852,48414293,4754,Active,100,,,multisite active; multisex active; multispecies active
-853,48414294,2206,Active,20,,,multisite active
-854,48414295,8691,Active,100,,,multisite active; multisex active; multispecies active
-855,48414296,266461,Active,100,,,multisite active; multisex active; multispecies active
-856,48414298,13266,Inactive,0,,,multisex inactive; multispecies inactive
-857,48414299,4763,Active,30,,,multisex active
-858,48414300,23674889,Active,80,,,multisex active; multispecies active
-859,48414301,996,Inactive,0,,,multisex inactive; multispecies inactive
-860,48414302,4764,Active,100,,,multisite active; multisex active; multispecies active
-861,48414303,7108,Inactive,0,,,multisex inactive
-862,48414304,5284441,Active,80,,,multisex active; multispecies active
-863,48414306,7673,Inactive,0,,,multisex inactive
-864,48414307,4021,Inactive,0,,,multisex inactive; multispecies inactive
-865,48414308,8679,Inactive,0,,,multisex inactive; multispecies inactive
-866,48414309,75146,Inactive,0,,,multisex inactive; multispecies inactive
-867,48414310,3331,Active,100,,,multisite active; multisex active; multispecies active
-868,48414311,5284442,Inactive,0,,,multisex inactive; multispecies inactive
-869,48414312,676454,Inactive,0,,,multisex inactive; multispecies inactive
-870,48414313,5858445,Active,30,,,multisex active
-871,48414314,4781,Active,100,,,multisite active; multisex active; multispecies active
-872,48414315,7935,Inactive,0,,,multisex inactive
-873,48414316,7814,Inactive,0,,,multisex inactive
-874,48414317,10941,Inactive,0,,,multisex inactive; multispecies inactive
-875,48414318,11990,Active,80,,,multisex active; multispecies active
-876,48414319,12205,Inactive,0,,,multisex inactive; multispecies inactive
-877,48414320,5284443,Inactive,0,,,multisex inactive; multispecies inactive
-878,48414322,61100,Active,20,,,multisite active
-879,48414323,31217,Active,30,,,multisex active
-880,48414326,60962,Active,30,,,multisex active
-881,48414327,5284445,Inactive,0,,,multisex inactive
-882,48414328,16682730,Inactive,0,,,multisex inactive
-883,48414330,7103,Inactive,0,,,multisex inactive
-884,48414331,23675735,Active,50,,,multisite active; multisex active
-885,48414333,5284446,Active,100,,,multisite active; multisex active; multispecies active
-886,48414335,3032604,Inactive,0,,,multisex inactive
-887,48414336,24404,Inactive,0,,,multisex inactive
-888,48414337,6956,Inactive,0,,,multisex inactive; multispecies inactive
-889,48414338,6811,Inactive,0,,,multisex inactive; multispecies inactive
-890,48414339,15965,Inactive,0,,,multisex inactive; multispecies inactive
-891,48414340,151324,Inactive,0,,,multisex inactive
-892,48414341,5910,Inactive,0,,,multisex inactive
-893,48414342,5284447,Inactive,0,,,multisex inactive
-894,48414343,4837,Inactive,0,,,multisex inactive
-895,48414344,8082,Inactive,0,,,multisex inactive
-896,48414345,5794,Active,80,,,multisex active; multispecies active
-897,48414346,5794,Inactive,0,,,multisex inactive
-898,48414348,65501,Inactive,0,,,multisex inactive; multispecies inactive
-899,48414350,16059,Active,30,,,multisex active
-900,48414351,,Inactive,0,,,multisex inactive; multispecies inactive
-901,48414352,42948,Active,80,,,multisex active; multispecies active
-902,48414354,,Inactive,0,,,multisex inactive
-903,48414355,24773,Inactive,0,,,multispecies inactive
-904,48414356,5284448,Inactive,0,,,multisex inactive; multispecies inactive
-905,48414357,24772,Inactive,0,,,multispecies inactive
-906,48414358,516893,Active,30,,,multisex active
-907,48414359,4873,Inactive,0,,,multisex inactive
-908,48414360,4875,Active,30,,,multisex active
-909,48414361,4883,Inactive,0,,,multisex inactive; multispecies inactive
-910,48414362,11979774,Inactive,0,,,multisex inactive
-911,48414363,4890,Inactive,0,,,multisex inactive; multispecies inactive
-912,48414364,4891,Inactive,0,,,multisex inactive; multispecies inactive
-913,48414367,5865,Inactive,0,,,multisex inactive
-914,48414368,23676225,Inactive,0,,,multisex inactive
-915,48414369,176173,Inactive,0,,,multisex inactive
-916,48414370,4909,Active,50,,,multisite active; multisex active
-917,48414373,9703,Active,100,,,multisite active; multisex active; multispecies active
-918,48414375,6014,Inactive,0,,,multisex inactive; multispecies inactive
-919,48414376,4930,Inactive,0,,,multisex inactive
-920,48414377,60975,Inactive,0,,,multisex inactive
-921,48414378,14264,Active,50,,,multisite active; multisex active
-922,48414379,4937,Inactive,0,,,multisex inactive
-923,48414380,2365,Active,80,,,multisex active; multispecies active
-924,48414381,62882,Inactive,0,,,multisex inactive; multispecies inactive
-925,48414382,14215,Inactive,0,,,multisex inactive
-926,48414383,53657,Active,50,,,multisite active; multisex active
-927,48414384,4947,Inactive,0,,,multisex inactive; multispecies inactive
-928,48414385,6750,Inactive,0,,,multisex inactive
-929,48414387,13157,Active,30,,,multisex active
-930,48414388,8252,Inactive,0,,,multisex inactive; multispecies inactive
-931,48414389,1030,Inactive,0,,,multisex inactive
-932,48414390,92629,Active,30,,,multisex active
-933,48414391,6378,Active,100,,,multisite active; multisex active; multispecies active
-934,48414392,5284450,Active,30,,,multisex active
-935,48414393,657298,Active,100,,,multisite active; multisex active; multispecies active
-936,48414394,31508,Inactive,0,,,multisex inactive
-937,48414399,1046,Inactive,0,,,multisex inactive; multispecies inactive
-938,48414400,1049,Active,100,,,multisite active; multisex active; multispecies active
-939,48414401,5284451,Active,30,,,multisex active
-940,48414402,4993,Inactive,0,,,multisex inactive; multispecies inactive
-941,48414403,5280343,Active,50,,,multisite active; multisex active
-942,48414404,5284452,Inactive,0,,,multisex inactive; multispecies inactive
-943,48414405,,Inactive,0,,,multisex inactive; multispecies inactive
-944,48414406,54891,Inactive,0,,,multisex inactive; multispecies inactive
-945,48414408,107999,Inactive,0,,,multisex inactive; multispecies inactive
-946,48414409,5360191,Active,50,,,multisite active; multisex active
-947,48414410,5359894,Inactive,0,,,multisex inactive; multispecies inactive
-948,48414411,5798639,Active,100,,,multisite active; multisex active; multispecies active
-949,48414412,6508074,Inactive,0,,,multisex inactive; multispecies inactive
-950,48414413,5359941,Active,80,,,multisex active; multispecies active
-951,48414414,9570201,Active,20,,,multisite active
-952,48414415,23690499,Inactive,0,,,multisex inactive
-953,48414416,5359885,Active,30,,,multisex active
-954,48414418,27872,Inactive,0,,,multisex inactive; multispecies inactive
-955,48414420,62500,Inactive,0,,,multisex inactive
-956,48414421,3465817,Inactive,0,,,multisex inactive; multispecies inactive
-957,48414422,5770,Active,100,,,multisite active; multisex active; multispecies active
-958,48414423,5054,Inactive,0,,,multisex inactive; multispecies inactive
-959,48414424,444795,Inactive,0,,,multisex inactive; multispecies inactive
-960,48414425,638034,Active,30,,,multisex active
-961,48414426,5280531,Inactive,0,,,multispecies inactive
-962,48414428,235227,Inactive,0,,,multisex inactive; multispecies inactive
-963,48414429,5281744,Active,100,,,multisite active; multisex active; multispecies active
-964,48414431,33474,Active,30,,,multisex active
-965,48414432,12447,Inactive,0,,,multisex inactive; multispecies inactive
-966,48414433,11292,Active,100,,,multisite active; multisex active; multispecies active
-967,48414434,6758,Inactive,0,,,multisex inactive; multispecies inactive
-968,48414435,5284453,Inactive,0,,,multisex inactive
-969,48414436,5280805,Inactive,0,,,multisex inactive; multispecies inactive
-970,48414437,5143,Inactive,0,,,multisex inactive; multispecies inactive
-971,48414440,5144,Active,80,,,multisex active; multispecies active
-972,48414442,5359476,Active,100,,,multisite active; multisex active; multispecies active
-973,48414444,24860541,Inactive,0,,,multisex inactive; multispecies inactive
-974,48414448,8951,Inactive,0,,,multisex inactive
-975,48414450,24011,Active,100,,,multisite active; multisex active; multispecies active
-976,48414452,63009,Inactive,0,,,multisex inactive; multispecies inactive
-977,48414453,68289,Active,80,,,multisex active; multispecies active
-978,48414454,5216,Inactive,0,,,multisex inactive
-979,48414455,516892,Inactive,0,,,multispecies inactive
-980,48414456,22882,Inactive,0,,,multisex inactive
-981,48414457,5234,Inactive,0,,,multisex inactive; multispecies inactive
-982,48414458,23668197,Inactive,0,,,multisex inactive; multispecies inactive
-983,48414459,9875143,Inactive,0,,,multisex inactive
-984,48414460,517546,Inactive,0,,,multisex inactive; multispecies inactive
-985,48414461,23665760,Inactive,0,,,multisex inactive; multispecies inactive
-986,48414462,16133893,Inactive,0,,,multisex inactive
-987,48414463,643460,Inactive,0,,,multisex inactive; multispecies inactive
-988,48414464,66245,Inactive,0,,,multisex inactive; multispecies inactive
-989,48414465,,Inactive,0,,,multisex inactive
-990,48414466,5284457,Active,100,,,multisite active; multisex active; multispecies active
-991,48414467,442089,Inactive,0,,,multisex inactive
-992,48414468,,Inactive,0,,,multisex inactive; multispecies inactive
-993,48414469,29327,Active,100,,,multisite active; multisex active; multispecies active
-994,48414470,22833294,Active,20,,,multisite active
-995,48414471,7501,Active,100,,,multisite active; multisex active; multispecies active
-996,48414472,5284459,Inactive,0,,,multisex inactive; multispecies inactive
-997,48414473,7276,Active,80,,,multisex active; multispecies active
-998,48414474,7922,Inactive,0,,,multisex inactive; multispecies inactive
-999,48414475,71485,Inactive,0,,,multisex inactive
-1000,48414476,5988,Inactive,0,,,multisex inactive
-1001,48414477,31339,Inactive,0,,,multisex inactive; multispecies inactive
-1002,48414478,7216,Active,100,,,multisite active; multisex active; multispecies active
-1003,48414479,5327,Active,30,,,multisex active
-1004,48414481,5344,Inactive,0,,,multisex inactive; multispecies inactive
-1005,48414482,28019,Inactive,0,,,multisex inactive
-1006,48414483,6498,Inactive,0,,,multisex inactive; multispecies inactive
-1007,48414486,5362,Inactive,0,,,multisex inactive
-1008,48414487,5284460,Active,20,,,multisite active
-1009,48414488,6321400,Active,20,,,multisite active
-1010,48414489,11289,Inactive,0,,,multisex inactive
-1011,48414490,656609,Inactive,0,,,multisex inactive; multispecies inactive
-1012,48414491,2733525,Active,100,,,multisite active; multisex active; multispecies active
-1013,48414492,,Inactive,0,,,multisex inactive
-1014,48414493,,Inactive,0,,,multisex inactive; multispecies inactive
-1015,48414494,1123,Inactive,0,,,multisex inactive
-1016,48414495,5386,Inactive,0,,,multisex inactive; multispecies inactive
-1017,48414496,9271,Inactive,0,,,multisex inactive
-1018,48414497,24726,Active,100,,,multisite active; multisex active; multispecies active
-1019,48414498,24726,Active,70,,,multisite active; multispecies active
-1020,48414499,5391,Inactive,0,,,multisex inactive
-1021,48414501,23892,Active,70,,,multisite active; multispecies active
-1022,48414502,17107,Inactive,0,,,multisex inactive; multispecies inactive
-1023,48414503,27465,Inactive,0,,,multisex inactive; multispecies inactive
-1024,48414504,15625,Active,100,,,multisite active; multisex active; multispecies active
-1025,48414505,8305,Inactive,0,,,multisex inactive
-1026,48414506,12418,Active,30,,,multisex active
-1027,48414507,6591,Active,30,,,multisex active
-1028,48414508,31373,Active,100,,,multisite active; multisex active; multispecies active
-1029,48414510,54704426,Inactive,0,,,multisex inactive; multispecies inactive
-1030,48414511,3117,Inactive,0,,,multisex inactive; multispecies inactive
-1031,48414514,8301,Active,100,,,multisite active; multisex active; multispecies active
-1032,48414516,16078,Inactive,0,,,multisex inactive; multispecies inactive
-1033,48414517,8028,Active,100,,,multisite active; multisex active; multispecies active
-1034,48414519,31298,Inactive,0,,,multisex inactive; multispecies inactive
-1035,48414520,41478,Inactive,0,,,multisex inactive; multispecies inactive
-1036,48414521,5455,Inactive,0,,,multisex inactive; multispecies inactive
-1037,48414522,7347,Inactive,0,,,multisex inactive
-1038,48414523,10509,Active,80,,,multisex active; multispecies active
-1039,48414524,7066,Inactive,0,,,multisex inactive
-1040,48414525,2153,Inactive,0,,,multisex inactive; multispecies inactive
-1041,48414526,5430,Inactive,0,,,multisex inactive; multispecies inactive
-1042,48414527,27200,Inactive,0,,,multisex inactive
-1043,48414528,5453,Active,100,,,multisite active; multisex active; multispecies active
-1044,48414529,2723949,Active,80,,,multisex active; multispecies active
-1045,48414530,7308,Inactive,0,,,multisex inactive; multispecies inactive
-1046,48414531,2406,Inactive,0,,,multisex inactive
-1047,48414532,516871,Inactive,0,,,multisex inactive
-1048,48414533,8765,Active,100,,,multisite active; multisex active; multispecies active
-1049,48414535,2723789,Inactive,0,,,multisex inactive; multispecies inactive
-1050,48414536,1269845,Active,100,,,multisite active; multisex active; multispecies active
-1051,48414538,5284464,Inactive,0,,,multisex inactive; multispecies inactive
-1052,48414539,5284465,Inactive,0,,,multisex inactive; multispecies inactive
-1053,48414540,5284466,Inactive,0,,,multisex inactive; multispecies inactive
-1054,48414541,26042,Inactive,0,,,multisex inactive; multispecies inactive
-1055,48414542,5284467,Inactive,0,,,multisex inactive
-1056,48414543,5284468,Inactive,0,,,multisex inactive
-1057,48414545,2117,Inactive,0,,,multisex inactive
-1058,48414547,5503,Inactive,0,,,multisex inactive; multispecies inactive
-1059,48414548,5505,Inactive,0,,,multisex inactive; multispecies inactive
-1060,48414549,1140,Active,50,,,multisite active; multisex active
-1061,48414550,11443,Active,100,,,multisite active; multisex active; multispecies active
-1062,48414553,12484,Active,100,,,multisite active; multisex active; multispecies active
-1063,48414554,10891,Active,30,,,multisex active
-1064,48414556,3005572,Inactive,0,,,multisex inactive
-1065,48414557,5284469,Active,30,,,multisex active
-1066,48414558,,Inactive,0,,,multisex inactive
-1067,48414562,5546,Active,30,,,multisex active
-1068,48414563,5558,Active,30,,,multisex active
-1069,48414564,31357,Active,100,,,multisite active; multisex active; multispecies active
-1070,48414566,22875,Inactive,0,,,multisex inactive
-1071,48414567,6428,Inactive,0,,,multisex inactive
-1072,48414568,6421,Active,30,,,multisex active
-1073,48414569,12471,Active,20,,,multisite active
-1074,48414570,6574,Active,50,,,multisite active; multisex active
-1075,48414571,6278,Inactive,0,,,multisex inactive; multispecies inactive
-1076,48414572,6575,Active,100,,,multisite active; multisex active; multispecies active
-1077,48414573,6575,Active,30,,,multisex active
-1078,48414574,6389,Inactive,0,,,multisex inactive; multispecies inactive
-1079,48414575,8607,Active,50,,,multisite active; multisex active
-1080,48414576,6914,Active,100,,,multisite active; multisex active; multispecies active
-1081,48414577,7158,Inactive,0,,,multisex inactive
-1082,48414578,1480,Inactive,0,,,multisex inactive; multispecies inactive
-1083,48414580,7285,Active,100,,,multisite active; multisex active; multispecies active
-1084,48414581,6529,Inactive,0,,,multisex inactive; multispecies inactive
-1085,48414582,7618,Active,30,,,multisex active
-1086,48414584,39078,Active,70,,,multisite active; multispecies active
-1087,48414585,5569,Active,20,,,multisite active
-1088,48414587,2449,Inactive,0,,,multisex inactive
-1089,48414588,8717,Active,100,,,multisite active; multisex active; multispecies active
-1090,48414589,5284470,Active,100,,,multisite active; multisex active; multispecies active
-1091,48414590,5284471,Active,100,,,multisite active; multisex active; multispecies active
-1092,48414595,62329,Active,50,,,multisite active; multisex active
-1093,48414596,7434,Inactive,0,,,multisex inactive
-1094,48414597,4510,Active,50,,,multisite active; multisex active
-1095,48414598,16682804,Inactive,0,,,multisex inactive
-1096,48414599,6327657,Inactive,0,,,multisex inactive; multispecies inactive
-1097,48414600,5284472,Inactive,0,,,multisex inactive; multispecies inactive
-1098,48414601,8295,Active,100,,,multisite active; multisex active; multispecies active
-1099,48414603,31356,Active,100,,,multisite active; multisex active; multispecies active
-1100,48414604,26177,Active,50,,,multisite active; multisex active
-1101,48414608,5284473,Active,80,,,multisex active; multispecies active
-1102,48414609,5284475,Active,100,,,multisite active; multisex active; multispecies active
-1103,48414611,6305,Inactive,0,,,multisex inactive; multispecies inactive
-1104,48414612,26052,Inactive,0,,,multisex inactive
-1105,48414614,969516,Inactive,0,,,multisex inactive; multispecies inactive
-1106,48414615,5284477,Inactive,0,,,multisex inactive
-1107,48414616,1174,Active,80,,,multisex active; multispecies active
-1108,48414617,5639,Inactive,0,,,multisex inactive
-1109,48414618,1176,Inactive,0,,,multisex inactive; multispecies inactive
-1110,48414619,5641,Active,100,,,multisite active; multisex active; multispecies active
-1111,48414620,34007,Inactive,0,,,multisex inactive; multispecies inactive
-1112,48414621,5455,Inactive,0,,,multisex inactive
-1113,48414623,7904,Active,100,,,multisite active; multisex active; multispecies active
-1114,48414624,11641,Active,50,,,multisite active; multisex active
-1115,48414625,27492,Active,50,,,multisite active; multisex active
-1116,48414626,6338,Active,100,,,multisite active; multisex active; multispecies active
-1117,48414627,6339,Active,100,,,multisite active; multisex active; multispecies active
-1118,48414628,7529,Inactive,0,,,multisex inactive; multispecies inactive
-1119,48414630,6366,Active,50,,,multisite active; multisex active
-1120,48414631,6369,Inactive,0,,,multisex inactive
-1121,48414632,6917,Active,50,,,multisite active; multisex active
-1122,48414633,5284479,Active,20,,,multisite active
-1123,48414634,444020,Inactive,0,,,multisex inactive; multispecies inactive
-1124,48414635,154437,Inactive,0,,,multisex inactive; multispecies inactive
-1125,48414636,,Inactive,0,,,multisex inactive
-1126,48414637,146255,Inactive,0,,,multisex inactive
-1127,48414639,7929,Active,50,,,multisite active; multisex active
-1128,48414640,7929,Inactive,0,,,multisex inactive; multispecies inactive
-1129,48414642,94546,Active,100,,,multisite active; multisex active; multispecies active
-1130,48414643,5359815,Active,80,,,multisex active; multispecies active
-1131,48414644,186342,Inactive,0,,,multisex inactive; multispecies inactive
-1132,48414645,22288,Inactive,0,,,multispecies inactive
-1133,48414646,21733,Inactive,0,,,multispecies inactive
-1134,48414648,5359657,Inactive,0,,,multisex inactive; multispecies inactive
-1135,48414649,5359810,Inactive,0,,,multisex inactive; multispecies inactive
-1136,48414650,5281233,Inactive,0,,,multisex inactive
-1137,48414651,62158,Inactive,0,,,multisex inactive; multispecies inactive
-1138,48414652,24860542,Inactive,0,,,multisex inactive
-1139,48414653,5281576,Active,50,,,multisite active; multisex active
-1140,48414655,5284483,Inactive,0,,,multisex inactive
-1141,48414656,26633,Inactive,0,,,multisex inactive
-1142,48414657,8722,Active,20,,,multisite active
-1143,48414660,5284485,Inactive,0,,,multisex inactive
-1144,48414662,146842,Active,50,,,multisite active; multisex active
-1145,48414663,15081,Active,50,,,multisite active; multisex active
-1146,48414665,12001,Active,20,,,multisite active
-1147,48414666,114957,Active,50,,,multisite active; multisex active
-1148,48414667,96395,Active,50,,,multisite active; multisex active
-1149,48414669,4343483,Inactive,0,,,multisex inactive
-1150,48414670,9352,Inactive,0,,,multispecies inactive
-1151,48414671,31703,Inactive,0,,,multispecies inactive
-1152,48414672,5459896,Active,70,,,multisite active; multispecies active
diff --git a/data/carcinogenicity.csv b/data/carcinogenicity.csv
deleted file mode 100644
index 10199d5..0000000
--- a/data/carcinogenicity.csv
+++ /dev/null
@@ -1,1153 +0,0 @@
-SMILES,Activity
-CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)C(=O)OC,Active
-CC1=C(C=C(C=C1)S(=O)(=O)NC(C2=NC(=NO2)C3=CC=CC=C3)C(C)C)[N+](=O)[O-],Inactive
-CC1=C(C(=NN1C)C)S(=O)(=O)NC(C2=NC(=NO2)C3=CC=CC=C3)C(C)C,Active
-CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NS(=O)(=O)C3=CC(=C(C=C3)OC)OC,Active
-CC1=CC=C(S1)S(=O)(=O)NC(C2=NC(=NO2)C3=CC=CC=C3)C(C)C,Active
-CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NS(=O)(=O)C3=CN(C(=O)N(C3=O)C)C,Active
-CCN(CC)S(=O)(=O)NC(C1=NC(=NO1)C2=CC=CC=C2)C(C)C,Inactive
-CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NS(=O)(=O)CC3=CC=CC=C3,Inactive
-CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NS(=O)(=O)N3CCOCC3,Active
-CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NS(=O)(=O)CC3=CC=C(C=C3)F,Active
-CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)OC,Inactive
-CC1=CC=C(C=C1)S(=O)(=O)NC(C2=NC(=NO2)C3=CC=CC=C3)C(C)C,Active
-CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)C#N,Active
-CC1CN(CC(O1)C)S(=O)(=O)NC(C2=NC(=NO2)C3=CC=CC=C3)C(C)C,Inactive
-CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)NC(=O)C,Active
-CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NS(=O)(=O)C3=CC=CS3,Inactive
-CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-],Inactive
-CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NS(=O)(=O)C3=CN=C(C=C3)Cl,Inactive
-CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NS(=O)(=O)C3=C(C=C(C=C3)F)F,Active
-CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)F,Active
-CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC(=C3)F,Inactive
-CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4,Active
-CC1=CC(=CC=C1)S(=O)(=O)NC(C2=NC(=NO2)C3=CC=CC=C3)C(C)C,Active
-CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NS(=O)(=O)C=CC3=CC=CC=C3,Inactive
-CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC=C3F,Active
-CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)C,Active
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-CC(C)S(=O)(=O)NC1CCN(CC1)C2=NC3=CC=CC=C3S2,Active
-C1CCN(CC1)S(=O)(=O)NC2CCN(CC2)C3=NC4=CC=CC=C4S3,Inactive
-CC1CCN(CC1)S(=O)(=O)NC2CCN(CC2)C3=NC4=CC=CC=C4S3,Inactive
-CC1CCCN(C1)S(=O)(=O)NC2CCN(CC2)C3=NC4=CC=CC=C4S3,Inactive
-CN1C=NC(=C1Cl)S(=O)(=O)NC2CCN(CC2)C3=NC4=CC=CC=C4S3,Active
-CC1CCCCN1S(=O)(=O)NC2CCN(CC2)C3=NC4=CC=CC=C4S3,Active
-CCCN(CCC)S(=O)(=O)NC1CCN(CC1)C2=NC3=CC=CC=C3S2,Inactive
-C1CN(CCC1NS(=O)(=O)CCC2=CC=CC=C2)C3=NC4=CC=CC=C4S3,Active
-CN1C=C(C=N1)S(=O)(=O)NC2CCN(CC2)C3=NC4=CC=CC=C4S3,Active
-CC1=C(C=C(C=C1)S(=O)(=O)NC2CCN(CC2)C3=NC4=CC=CC=C4S3)F,Active
-CC1=CC(=C(C=C1)F)S(=O)(=O)NC2CCN(CC2)C3=NC4=CC=CC=C4S3,Active
-C1CN(CCC1NS(=O)(=O)C2=CC=C(C=C2)C(=O)N)C3=NC4=CC=CC=C4S3,Active
-C1CN(CCC1NS(=O)(=O)C2=CC(=CC(=C2)F)F)C3=NC4=CC=CC=C4S3,Active
-C1CC2=C(C1)C=C(C=C2)S(=O)(=O)NC3CCN(CC3)C4=NC5=CC=CC=C5S4,Inactive
-CC1=CC(=C(S1)C)S(=O)(=O)NC2CCN(CC2)C3=NC4=CC=CC=C4S3,Inactive
-C1CN(CCC1NS(=O)(=O)C2=CC3=C(C=C2)OCC3)C4=NC5=CC=CC=C5S4,Inactive
-CC1=CC=C(S1)S(=O)(=O)NC2CCN(CC2)C3=NC4=CC=CC=C4S3,Active
-CC1=C(C(=NN1C)C)S(=O)(=O)NC2CCN(CC2)C3=NC4=CC=CC=C4S3,Active
-CCN(CC)S(=O)(=O)NC1CCN(CC1)C2=NC3=CC=CC=C3S2,Active
-C1CN(CCC1NS(=O)(=O)CC2=CC=CC=C2)C3=NC4=CC=CC=C4S3,Active
-C1CCCN(CC1)S(=O)(=O)NC2CCN(CC2)C3=NC4=CC=CC=C4S3,Active
-C1CN(CCC1NS(=O)(=O)N2CCOCC2)C3=NC4=CC=CC=C4S3,Inactive
-C1CN(CCC1NS(=O)(=O)CC2=CC=C(C=C2)F)C3=NC4=CC=CC=C4S3,Inactive
-C1CN(CCC1NS(=O)(=O)C2=CC=C(C=C2)Cl)C3=NC4=CC=CC=C4S3,Inactive
-C1CN(CCC1NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=NC4=CC=CC=C4S3,Active
-COC1=CC=C(C=C1)S(=O)(=O)NC2CCN(CC2)C3=NC4=CC=CC=C4S3,Inactive
-CC1=CC=C(C=C1)S(=O)(=O)NC2CCN(CC2)C3=NC4=CC=CC=C4S3,Active
-C1CN(CCC1NS(=O)(=O)C2=CN=C(C=C2)Cl)C3=NC4=CC=CC=C4S3,Inactive
-C1CN(CCC1NS(=O)(=O)C2=CC=C(C=C2)C#N)C3=NC4=CC=CC=C4S3,Inactive
-C1CN(CCC1NS(=O)(=O)C2=CC=CC(=C2)F)C3=NC4=CC=CC=C4S3,Active
-C1CN(CCC1NS(=O)(=O)C2=CC(=C(C=C2)F)F)C3=NC4=CC=CC=C4S3,Active
-CC1=CC(=CC=C1)S(=O)(=O)NC2CCN(CC2)C3=NC4=CC=CC=C4S3,Active
-C1CN(CCC1NS(=O)(=O)C=CC2=CC=CC=C2)C3=NC4=CC=CC=C4S3,Inactive
-C1CN(CCC1NS(=O)(=O)C2=CC=CC=C2F)C3=NC4=CC=CC=C4S3,Active
-C1CN(CCC1NS(=O)(=O)C2=CC(=CC=C2)Cl)C3=NC4=CC=CC=C4S3,Inactive
-CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2CCN(CC2)C3=NC4=CC=CC=C4S3,Active
-CC1=CC(=C(C=C1)C)S(=O)(=O)NC2CCN(CC2)C3=NC4=CC=CC=C4S3,Inactive
-CC1=C(C=C(C=C1)S(=O)(=O)NC2CCN(CC2)C3=NC4=CC=CC=C4S3)C,Active
-CC(=O)C1=CC(=CC=C1)S(=O)(=O)NC2CCN(CC2)C3=NC4=CC=CC=C4S3,Inactive
-COC1=CC=CC=C1S(=O)(=O)NC2CCN(CC2)C3=NC4=CC=CC=C4S3,Inactive
-C1CN(CCC1NS(=O)(=O)C2=CC=CC=C2Cl)C3=NC4=CC=CC=C4S3,Active
-C1=CC(=CC(=C1)Br)CNC2=CN=CC(=N2)Cl,Inactive
-CCN(CC)CCCC(C)NC(=O)CCNC1=CC=CC=C1[N+](=O)[O-],Active
-CCN(CC)CCCC(C)NC(=O)C1=CC(=NC2=C1C(=NN2C)C)C3CC3,Active
-CCN(CC)CCCC(C)NC(=O)C1=CC=C(C=C1)NS(=O)(=O)C,Inactive
-CCN(CC)CCCC(C)NC(=O)C1=CC(=NC2=C1C(=NN2C)C)C(C)C,Inactive
-CCN(CC)CCCC(C)NC(=O)C1=C(N=CC=C1)SC2=CC=CC=C2,Inactive
-CCN(CC)CCCC(C)NC(=O)C1=CC(=NC2=C1C(=NO2)C)C3=CC=CO3,Inactive
-CCN(CC)CCCC(C)NC(=O)CCC1=C(N2C(=C3C=CC=CC3=N2)N=C1C)C,Inactive
-CCN(CC)CCCC(C)NC(=O)C1=CC=C(C=C1)S(=O)(=O)NCCOC,Inactive
-CCN(CC)CCCC(C)NC(=O)C1=CC(=C(C(=C1)Cl)OCC(=O)N)OC,Active
-CCN(CC)CCCC(C)NC(=O)C1=NN(C2=C1CCC2)C3=CC=C(C=C3)F,Inactive
-CCN(CC)CCCC(C)NC(=O)C1CCN(CC1)C2=NC=C(C=C2)C#N,Inactive
-CCN(CC)CCCC(C)NC(=O)C1=C(NN=C1)C2=CC=C(C=C2)F,Active
-CCN(CC)CCCC(C)NC(=O)C1=C(NN=C1)C2=CC3=C(C=C2)OCCO3,Active
-CCN(CC)CCCC(C)NC(=O)C1=CC(=NC2=C1C(=NN2C)C)C3=CC=CC=C3,Inactive
-CCN(CC)CCCC(C)NC(=O)CC1C(=O)NC2=CC=CC=C2S1,Active
-CCN(CC)CCCC(C)NC(=O)C1=C(N=C2C=C(C=CC2=C1)OC)C,Active
-CCN(CC)CCCC(C)NC(=O)CN1C=NC2=C(C1=O)C=CC=C2C,Inactive
-CCN(CC)CCCC(C)NC(=O)C1=NC=CN=C1N,Active
-CCN(CC)CCCC(C)NC(=O)CC1C(=O)NC2=C(S1)C=CC(=C2)Cl,Inactive
-CCN(CC)CCCC(C)NC(=O)C1=C(N=C2C=CC(=CC2=C1)OC)C,Inactive
-CCN(CC)CCCC(C)NC(=O)CCNC1=NS(=O)(=O)C2=CC=CC=C21,Inactive
-CCN(CC)CCCC(C)NC(=O)CCN1C2=CC=CC=C2C(=O)NC1=O,Inactive
-CCN(CC)CCCC(C)NC(=O)C1=CC(=CC=C1)NS(=O)(=O)C2=CC=CC=C2,Inactive
-CCN(CC)CCCC(C)NC(=O)C1=CC(=CC=C1)S(=O)(=O)NC(C)C,Active
-CCN(CC)CCCC(C)NC(=O)C1=CC=C(C=C1)S(=O)(=O)NCC=C,Active
-CCN(CC)CCCC(C)NC(=O)C1=CC=C(C=C1)S(=O)(=O)NC(C)C,Active
-CCNS(=O)(=O)C1=CC=C(C=C1)C(=O)NC(C)CCCN(CC)CC,Active
-CCN(CC)CCCC(C)NC(=O)CNC(=O)C1=CC=C(C=C1)F,Inactive
-CCN(CC)CCCC(C)NC(=O)C1=CC2=C(C=C1)C(=O)N3CCCCCCC3=N2,Inactive
-CCN(CC)CCCC(C)NC(=O)CN1C(=O)COC2=C1C=C(C=C2)[N+](=O)[O-],Active
-CCN(CC)CCCC(C)NC(=O)CNC(=O)C1=CC(=C(C(=C1)OC)OC)OC,Inactive
-CCN(CC)CCCC(C)NC(=O)C1=CC=C(C=C1)CN2C3=CC=CC=C3N=N2,Inactive
-CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC(C)CCCN(CC)CC)NC1=S,Inactive
-CCN(CC)CCCC(C)NC(=O)CNC(=O)C1=CC(=C(C=C1)OCC)OCC,Inactive
-CCN(CC)CCCC(C)NC(=O)CNC(=O)C1=CC=C(C=C1)OCC,Inactive
-CCN(CC)CCCC(C)NC(=O)C1=CC=C(C=C1)NC(=O)OC(C)(C)C,Inactive
-CCN(CC)CCCC(C)NC(=O)CCCN1C2=C(C=C(C=C2)[N+](=O)[O-])OC1=O,Active
-CCN(CC)CCCC(C)NC(=O)CNC(=O)C1=CC=C(C=C1)N2CCCC2=O,Active
-CCN(CC)CCCC(C)NC(=O)CN1C(=NNC1=S)C2=CC(=CC=C2)C,Inactive
-CCN(CC)CCCC(C)NC(=O)CN1C(=NNC1=S)C2=CC=CS2,Active
-CCN(CC)CCCC(C)NC(=O)CCNC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-],Inactive
-CCN(CC)CCCC(C)NC(=O)CNC(=O)C1=CC(=C(C=C1)OC)OC,Active
-CCN(CC)CCCC(C)NC(=O)CCN1C(=NNC1=S)C2=CC=C(C=C2)C,Active
-CCN(CC)CCCC(C)NC(=O)CCN1C(=NNC1=S)C2=CC(=CC=C2)C,Active
-CCN(CC)CCCC(C)NC(=O)C1=CC=C(C=C1)CNC(=O)NC(C)C,Active
-CCN(CC)CCCC(C)NC(=O)CNC(=O)C1=C(C=C(C=C1)Cl)Cl,Inactive
-CCN(CC)CCCC(C)NC(=O)CNC(=O)C1=CC=CC=C1Cl,Active
-CCN(CC)CCCC(C)NC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NC,Active
-CCN(CC)CCCC(C)NC(=O)CCN1C(=O)C2=C(C1=O)C=C(C=C2)C,Active
-CCN(CC)CCCC(C)NC(=O)CCC1=C(N2C(=NC=N2)N=C1C)C,Active
-CCN(CC)CCCC(C)NC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CS2,Inactive
-CCN(CC)CCCC(C)NC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC=C,Active
-CCN(CC)CCCC(C)NC(=O)C1=C(C2=C(N1)CCCC2=O)C,Active
-CCN(CC)CCCC(C)NC(=O)C1=CC2=NNN=C2C=C1,Inactive
-CCC1=C(C(=C(N1)C(=O)NC(C)CCCN(CC)CC)C)C(=O)OC,Inactive
-CCN(CC)CCCC(C)NC(=O)C1=CN=C(C=C1)N2C=CC=N2,Inactive
-CCN(CC)CCCC(C)NC(=O)C1=CC=C(C=C1)S(=O)(=O)NCCC#N,Active
-CCN(CC)CCCC(C)NC(=O)CC1=C(N2C(=NC(=N2)SC)N=C1C)C,Inactive
-CCN(CC)CCCC(C)NC(=O)C1=CC(=NC2=C1C=NN2CC3=CC=CS3)C,Inactive
-CCN(CC)CCCC(C)NC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2,Active
-CCN(CC)CCCC(C)NC(=O)C1=CC(=NC2=C1N=C3N2CCCCC3)C,Inactive
-CCN(CC)CCCC(C)NC(=O)C1=NN(C(C1)C(=O)N)C2=CC=CC=C2,Inactive
-CCN(CC)CCCC(C)NC(=O)CN1C=NC2=CC=CC=C2C1=O,Active
-CCN(CC)CCCC(C)NC(=O)C1=CC(=CC(=C1)NC(=O)C)NC(=O)C,Active
-CCN(CC)CCCC(C)NC(=O)C1=CC=C(C=C1)N2C=NN=N2,Active
-CCN(CC)CCCC(C)NC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC,Inactive
-CCN(CC)CCCC(C)NC(=O)C1=C(C(=C(N1)C)C(=O)C)C,Active
-CCN(CC)CCCC(C)NC(=O)C1=CC=C(O1)CS(=O)(=O)C2=CC=CC=C2,Inactive
-CCN(CC)CCCC(C)NC(=O)CN1C2=CC=CC=C2N=CC1=O,Inactive
-CCN(CC)CCCC(C)NC(=O)CN1C(=O)C2=C(N=CN2C)N(C1=O)C,Active
-CCN(CC)CCCC(C)NC(=O)C1=CC(=C(C=C1)NC)[N+](=O)[O-],Active
-CCN(CC)CCCC(C)NC(=O)C1=C(C(=C(N1)C)C(=O)OC)C,Inactive
-CCN(CC)CCCC(C)NC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)F,Inactive
-CCN(CC)CCCC(C)NC(=O)C1=CC(=C(C=C1)NC2CC2)[N+](=O)[O-],Inactive
-CCN(CC)CCCC(C)NC(=O)CSCC(=O)NC1=CC=CC(=C1)C,Inactive
-CCN(CC)CCCC(C)NC(=O)C1=CC(=CC=C1)NC(=O)NC(C)C,Inactive
-CCN(CC)CCCC(C)NC(=O)CNC(=O)C1=CNC2=CC=CC=C2C1=O,Inactive
-CCN(CC)CCCC(C)NC(=O)C1=CC2=C(O1)C(=CC=C2)Br,Active
-CCN(CC)CCCC(C)NC(=O)C1=CC(=NO1)C2=CC(=CC=C2)F,Active
-CCN(CC)CCCC(C)NC(=O)C1=C(N=C2N1C=CC=C2)Cl,Active
-CCN(CC)CCCC(C)NC(=O)C1=C(C(=C(N1)C)C(=O)OCCOC)C,Active
-CCN(CC)CCCC(C)NC(=O)C1=CC(=NC2=C1C(=NN2C(C)(C)C)C)C3CC3,Inactive
-CCN(CC)CCCC(C)NC(=O)C1=NNC(=C1)C(C)C,Active
-CCN(CC)CCCC(C)NC(=O)C1=CC=C(C=C1)CNC(=O)C2=CC=CS2,Inactive
-CCN(CC)CCCC(C)NC(=O)CS(=O)(=O)CC1=CC=C(C=C1)C#N,Inactive
-CCN(CC)CCCC(C)NC(=O)CC1=C(N(N=C1C)C2=CC=C(C=C2)F)C,Inactive
-CCN(CC)CCCC(C)NC(=O)C1=CC(=NC2=C1C=CC(=C2)F)C,Inactive
-CCN(CC)CCCC(C)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CN=CC=C2,Inactive
-CCN(CC)CCCC(C)NC(=O)CN(C)S(=O)(=O)C1=CC=CC=C1,Active
-CCN(CC)CCCC(C)NC(=O)COC1=CC=CC(=C1)NC(=O)C2=CC=CO2,Active
-CCN(CC)CCCC(C)NC(=O)C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)OCC)C,Active
-CCN(CC)CCCC(C)NC(=O)CCC1=C(N2C(=C(C=N2)C#N)N=C1C)C,Inactive
-CCN(CC)CCCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)C2=CC=CC=C2,Active
-CCN(CC)CCCC(C)NC(=O)C1=CC(=CC=C1)NC(=O)C2=CN=CC=C2,Active
-CCN(CC)CCCC(C)NC(=O)C1=CC=C(O1)S(=O)(=O)N2CCCCC2,Active
-CCN(CC)CCCC(C)NC(=O)C1=CC=C(O1)S(=O)(=O)NC(C)(C)C,Inactive
-CCN(CC)CCCC(C)NC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=CC=C2,Inactive
-CCN(CC)CCCC(C)NC(=O)C1=CC(=CC=C1)NC(=O)C2CC2C,Inactive
-CCN(CC)CCCC(C)NC(=O)C1=NN(C=C1)C2=CC=C(C=C2)F,Inactive
-CCN(CC)CCCC(C)NC(=O)C1=CC=C(O1)S(=O)(=O)NC,Active
-CCN(CC)CCCC(C)NC(=O)CNC(=O)C1=COC=C1,Inactive
-CCN(CC)CCCC(C)NC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)F,Inactive
-CCN(CC)CCCC(C)NC(=O)C1=CC(=CC=C1)NC(=O)C2CCCCC2,Inactive
-CCN(CC)CCCC(C)NC(=O)C1=CC=C(C=C1)NC(=O)NC2CC2,Inactive
-CCN(CC)CCCC(C)NC(=O)C1=C(C2=C(O1)CCCC2=O)C,Inactive
-CCN(CC)CCCC(C)NC(=O)C1=C2N=C(C=C(N2N=C1)C)C,Inactive
-CCN(CC)CCCC(C)NC(=O)C1=CC(=CC=C1)NC2=NC=CC=N2,Inactive
-CCN(CC)CCCC(C)NC(=O)CCNC(=O)C1=CC2=CC=CC=C2C=C1,Inactive
-CCN(CC)CCCC(C)NC(=O)C1=CC(=C(C=C1)OCC2=CSC=N2)OC,Inactive
-CCN(CC)CCCC(C)NC(=O)C1CC(=O)N(C1)C2=CC(=CC=C2)Cl,Active
-CCN(CC)CCCC(C)NC(=O)C1=CC(=C(S1)C)[N+](=O)[O-],Active
-CCN(CC)CCCC(C)NC(=O)CC1=C(NC2=C1C=C(C=C2)C)C,Inactive
-CCN(CC)CCCC(C)NC(=O)CC1=C(NC2=CC=CC=C21)C,Inactive
-CCN(CC)CCCC(C)NC(=O)C1CC(=O)N(C1)C2=CC3=C(C=C2)OCO3,Active
-CCN(CC)CCCC(C)NC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)F)C(C)C,Inactive
-CCN(CC)CCCC(C)NC(=O)C1=CC=C(C=C1)N2C=C(C=N2)Br,Inactive
-CCN(CC)CCCC(C)NC(=O)COC1=CC=CC(=C1)NC(=O)C2CC2,Inactive
-CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)NS(=O)(=O)C,Inactive
-CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NC(=O)CNC(=O)COC3=CC=CC=C3,Active
-CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NC(=O)CCC(=O)C3=CC=C(S3)Cl,Active
-CC1=CSC(=O)N1CCC(=O)NC(C2=NC(=NO2)C3=CC=CC=C3)C(C)C,Inactive
-CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NC(=O)CC34CC5CC(C3)CC(C5)(C4)O,Active
-CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NC(=O)CCC3=CC(=C(C=C3)OC)F,Active
-CC1=C(C(=NN1C)C)CC(=O)NC(C2=NC(=NO2)C3=CC=CC=C3)C(C)C,Active
-CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NC(=O)C3=CC(=CN3)Br,Active
-CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NC(=O)CN3C(=O)C4=CC=CC=C4N=N3,Active
-CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)COC,Active
-CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NC(=O)CN3CCSC3=O,Inactive
-CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)CS(=O)(=O)C,Inactive
-CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NC(=O)CCC3=NC(=NO3)C4=CC=CC=C4,Active
-CC1=CC=C(S1)C(=O)NCC(=O)NC(C2=NC(=NO2)C3=CC=CC=C3)C(C)C,Inactive
-CC1=CC(=CC(=C1)C(=O)NCC(=O)NC(C2=NC(=NO2)C3=CC=CC=C3)C(C)C)C,Active
-CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NC(=O)CC3=C(C=C(C=C3)OC)OC,Inactive
-CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NC(=O)C3=C(SC(=C3)Cl)Cl,Active
-CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NC(=O)CCC3=CSC=C3,Active
-CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NC(=O)CCCNC(=O)C3=CC=CO3,Inactive
-CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NC(=O)CC3=CC(=CC=C3)OC,Active
-CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NC(=O)COC3=CC=CC=C3OC,Active
-CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NC(=O)COC3=CC(=CC=C3)F,Active
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-CC1=C(C=NN1)CNC(=O)CCC2=NC(=NO2)C3=CC=C(C=C3)F,Active
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-CC1CCN(CC1)S(=O)(=O)C2=CC(=CC(=C2C)C)C(=O)NCC3=C(NN=C3)C,Active
-CC1=C(C=NN1)CNC(=O)C2=CSC(=N2)C3=CC=CC=C3,Active
-CC1=NN2C(=C(C(=NC2=C1)C)CCC(=O)NCC3=C(NN=C3)C)C,Inactive
-CC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NCC3=C(NN=C3)C,Inactive
-CC1=CC=CC(=C1)C2=NNC(=S)N2CCC(=O)NCC3=C(NN=C3)C,Active
-CC1=C(C=NN1)CNC(=O)CCC2=C(N=C(N=C2C)SC)C,Active
-CC1=C(C=NN1)CNC(=O)C2=CC(=CC=C2)NC(=O)OC(C)(C)C,Active
-CC1=C(C=NN1)CNC(=O)C2=CC3=C(ON=C3C=C2)C4=CC=CC=C4,Inactive
-CC1=C(C=NN1)CNC(=O)CCC2=NC(=NO2)C3=CC=CC=C3,Active
-CC1=C(C=NN1)CNC(=O)CNC(=O)C2=CC(=C(C=C2)OC)OC,Inactive
-CC1=C(C=NN1)CNC(=O)CNC(=O)C2=CC=C(C=C2)C(C)(C)C,Inactive
-CC1=C(C=NN1)CNC(=O)CNC(=O)C2=C(C=C(C=C2)Cl)Cl,Inactive
-CC1=CC(=CC(=C1)C(=O)NCC(=O)NCC2=C(NN=C2)C)C,Active
-CCOC1=CC=CC=C1C(=O)NCC(=O)NCC2=C(NN=C2)C,Active
-CC1=C(C=NN1)CNC(=O)C2=CC=C(O2)C3=CC=CC=C3Cl,Inactive
-CC1=C(C(=CC(=C1)C(=O)NCC2=C(NN=C2)C)S(=O)(=O)NC)C,Inactive
-CC1=C(C=NN1)CNC(=O)C(C)C2=CC3=C(C=C2)C=C(C=C3)OC,Active
-CC1=C(C=NN1)CNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2,Active
-CC1=C(C=NN1)CNC(=O)C2=CN(N=C2C3=CC=C(C=C3)Cl)CC4=CC=CC=C4,Active
-CC1=C(C=NN1)CNC(=O)C2=C(SC(=C2)Cl)Cl,Active
-CC1=C(C=NN1)CNC(=O)CCC2=CSC=C2,Inactive
-CC1=C(C=NN1)CNC(=O)CN2C(=O)C3(CCCCC3)N(C2=O)C,Inactive
-CC1=C(C=NN1)CNC(=O)CCC2=C(N3C(=NC=N3)N=C2C)C,Inactive
-CC1=CC2=C(C=C1)C(=O)N(C2=O)CCC(=O)NCC3=C(NN=C3)C,Inactive
-CC1=C(C=NN1)CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)OC,Inactive
-CC1=C(C=NN1)CNC(=O)C2=CC(=CC=C2)OCC3=CC=C(C=C3)F,Inactive
-CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC=CC(=C2)C(=O)NCC3=C(NN=C3)C,Inactive
-CC1=C(C=C(C=C1)C(=O)NCC2=C(NN=C2)C)S(=O)(=O)NCC3=CC=CC=C3,Inactive
-CC1=C(C=NN1)CNC(=O)CCCNC(=O)C2=CSC=C2,Active
-CCOC(=O)C1=C(NC(=C1C)C(=O)NCC2=C(NN=C2)C)C,Active
-CC1=C(C=NN1)CNC(=O)CCN2C(=O)C3CCCCC3C2=O,Active
-CC1=C(C=NN1)CNC(=O)C(C(C)C)NC(=O)C2=CC=C(C=C2)Cl,Active
-CC1=C(C=NN1)CNC(=O)C(CC(C)C)NC(=O)C2=CC=C(C=C2)Cl,Inactive
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-CC1=C(C=NN1)CNC(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3,Inactive
-CC1=C(C=NN1)CNC(=O)C2CC(=O)N(C2)C3=CC=CC=C3F,Inactive
-CC1=C(C=NN1)CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC=C,Inactive
-CC1=C(C=NN1)CNC(=O)C(C)OC2=CC=C(C=C2)C(C)(C)C,Inactive
-CC1=C(NC2=C1C(=O)CCC2)C(=O)NCC3=C(NN=C3)C,Inactive
-CC1=C(C=NN1)CNC(=O)C2=CC=C(C=C2)NC3=NS(=O)(=O)C4=CC=CC=C43,Active
-CC1=C(C=NN1)CNC(=O)CCNS(=O)(=O)C2=CC(=C(C=C2)OC)OC,Active
-CC1=C(C=NN1)CNC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C,Active
-CC1=CC=CC=C1N(CC(=O)NCC2=C(NN=C2)C)S(=O)(=O)C,Active
-CC1=C(C=NN1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(CCCC4)C=C3,Inactive
-CC1=C(C=NN1)CNC(=O)CCCN(C)S(=O)(=O)C2=CC=C(C=C2)F,Inactive
-CC1=CC(=C(C=C1)N2N=C(C(=N2)C(=O)NCC3=C(NN=C3)C)C)C,Inactive
-CC1=C(C=NN1)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3CC3,Inactive
-CC1=C(C=NN1)CNC(=O)C2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4,Active
-CCCOC1=C(C=C(C=C1)C(=O)NCC2=C(NN=C2)C)OCCC,Inactive
-CC1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=C(NN=C3)C)C,Inactive
-CC1=C(C=NN1)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC4=CC=CC=C43,Inactive
-CC1=C(C=NN1)CNC(=O)C2=CC3=C(S2)N(N=C3C)C4=CC=CC=C4Cl,Active
-CC1=C(C=NN1)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3,Active
-CC1=C(C=NN1)CNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)F,Active
-CC1=C(C=C(C=C1)C(=O)NCC2=C(NN=C2)C)NC(=O)C3=CC=CO3,Inactive
-CC1=C(C=NN1)CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC,Active
-CCC(=O)C1=CC=C(C=C1)OCC(=O)NCC2=C(NN=C2)C,Inactive
-CC1=C(C=NN1)CNC(=O)C2=CC=C(O2)COC3=CC=C(C=C3)F,Active
-CC1=C(C=NN1)CNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)OC,Inactive
-CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NCC3=C(NN=C3)C,Inactive
-CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)NC(=O)C=C2C(=O)NCC3=C(NN=C3)C,Inactive
-CC1=C(C=NN1)CNC(=O)C2=CC=CC=C2OC3=CC=CC=C3,Inactive
-CC1=C(C=NN1)CNC(=O)CCCOC2=CC=C(C=C2)C(C)(C)C,Inactive
-CCOC1=CC=CC=C1OCCCC(=O)NCC2=C(NN=C2)C,Inactive
-CC1=C(C=NN1)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N(C)C3=CC=C(C=C3)OC,Active
-CC1=C(C=NN1)CNC(=O)C2=CC=CC=C2OCC3=CC=C(C=C3)Cl,Active
-CC1=C(C=NN1)CNC(=O)C2=CC=CC=C2OCC3=CC=CC=C3Cl,Inactive
-CC1=C(C=NN1)CNC(=O)C2=CC=CC=C2OCC3=CC=C(C=C3)F,Inactive
-CC1=C(C=NN1)CNC(=O)C2=CC=CC=C2OCCOC3=CC=CC=C3,Inactive
-CC1=C(C=NN1)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C3=CC=CC=C3,Active
-CC1=C(C=NN1)CNC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CO3,Inactive
-CC1=C(C=NN1)CNC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CS3,Active
-CC1=C(C=NN1)CNC(=O)CCC2=CC(=C(C(=C2)OC)OC)OC,Inactive
-CC1=C(C=NN1)CNC(=O)C2=C(C=CC(=C2)Br)O,Active
-CC1CN(CC(O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=C(NN=C3)C,Active
-CC1=C(C=NN1)CNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4,Inactive
-CC1=C(C=NN1)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3,Active
-CC1=C(C=NN1)CNC(=O)C2=CC=CC=C2NC(=O)C3=CC=CC=C3,Active
-CCC1(C(=O)N(C(=O)N1)CC(=O)NCC2=C(NN=C2)C)CC,Inactive
-CC1=C(C=NN1)CNC(=O)C(CC2=CC=CC=C2)NS(=O)(=O)C3=CC=CC=C3F,Inactive
-CC1=C(C=NN1)CNC(=O)C2CCN(CC2)C(=O)C=CC3=CC=CC=C3,Active
-CC1=C(C=NN1)CNC(=O)C2=CC=CC=C2OCC(=O)N(C)C,Active
-CC1=C(C=NN1)CNC(=O)C2=CC=C(C=C2)C(=O)NCC3=C(NN=C3)C,Active
-CC1=C(C=NN1)CNC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C,Inactive
-CC1=NOC(=C1)CSC2=CC=CC=C2C(=O)NCC3=C(NN=C3)C,Inactive
-CC1=C(C=NN1)CNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3,Active
-CC1=NC2=C(C(=C1)C(=O)NCC3=C(NN=C3)C)N=C4N2CCCCC4,Active
-CC1=C(C=NN1)CNC(=O)CCC2=C(C=CC(=C2)OC)OC,Active
-CC1=C(C=NN1)CNC(=O)C2=C(N(N=C2)C3=CC(=CC=C3)Cl)C(F)(F)F,Active
-CC1=C(C=NN1)CNC(=O)C2=C(N(N=C2)C3=CC=CC(=C3)C(F)(F)F)C(F)(F)F,Active
-CC1=C(C=NN1)CNC(=O)C2=C(N(N=C2)C3=NN=C(C=C3)OC)C(F)(F)F,Active
-CC1=C(C=NN1)CNC(=O)C2=C(N(N=C2)C3=CC=CC(=C3)C(F)(F)F)C,Inactive
-CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NCC3=C(NN=C3)C)C(F)(F)F,Active
-CC1=C(C=NN1)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3,Inactive
-CC1=C(C=NN1)CNC(=O)C2=CC(=C(C=C2)OC(F)F)OC,Inactive
-CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=C(NN=C3)C)C)C,Active
-CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NCC3=C(NN=C3)C,Active
-CCCC(C1=CC=CC=C1)C(=O)NCC2=C(NN=C2)C,Inactive
-CC1=C(C=NN1)CNC(=O)CN2C=NC3=CC=CC=C3C2=O,Inactive
-CC1=C(C=NN1)CNC(=O)C(CCSC)NC(=O)C2=CC=CC=C2Cl,Active
-CC1=C(C=NN1)CNC(=O)CCNC(=O)C2=CC=CC=C2OC,Active
-CC1=C(C=NN1)CNC(=O)CCNC(=O)C2=CC=C(C=C2)C(C)(C)C,Active
-CCCOC1=C(C=C(C=C1Br)C(=O)NCC2=C(NN=C2)C)OC,Active
-CC1=C(C=CC(=C1)OCC(=O)NCC2=C(NN=C2)C)C(C)C,Inactive
-CC1=C(OC2=C1C=CC3=CC=CC=C32)C(=O)NCC4=C(NN=C4)C,Active
-CC1=C(OC2=C(C1=O)C=CC=C2C(=O)NCC3=C(NN=C3)C)C4=CC=CC=C4,Active
-CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NCC3=C(NN=C3)C,Active
-CC1=C(C=NN1)CNC(=O)C2=CC(=CC=C2)OCC3=C(ON=C3C)C,Active
-CC1=C(C=NN1)CNC(=O)C2=CC3=C(S2)N(N=C3C)CC4=CC=CC=C4Cl,Active
-CC1=C(C=NN1)CNC(=O)C2=CC3=C(C=C2)N(C(=N3)C)C4=CC=CC=C4,Active
-CCCOC1=CC=C(C=C1)C(=O)CCC(=O)NCC2=C(NN=C2)C,Inactive
-CC1=C(C=NN1)CNC(=O)CC2=CSC(=N2)C3=CC=CC=C3,Inactive
-CC1=C(C=NN1)CNC(=O)C2=CC(=CC(=C2)NC(=O)C)NC(=O)C,Active
-CC1=C(C=NN1)CNC(=O)C2=CC3=C(S2)C4=CC=CC=C4OC3,Active
-CC1=C(C=NN1)CNC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4N3,Active
-CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NCC2=C(NN=C2)C,Active
-CC1=C(C=NN1)CNC(=O)CC2=CC3=C(C=C2)OCCO3,Active
-CC1=CC(=C(C=C1)C)S(=O)(=O)NCCC(=O)NCC2=C(NN=C2)C,Active
-CC1=C(C=NN1)CNC(=O)C(CCSC)NC(=O)C2=CC=CC=C2OC,Inactive
-CC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)NCC2=C(NN=C2)C,Inactive
-CC1=C(C=NN1)CNC(=O)C(C(C)C)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl,Inactive
-CC1=C(C=NN1)CNC(=O)C(C(C)C)NS(=O)(=O)C2=CC=CC=C2F,Inactive
-CC1=C(C=NN1)CNC(=O)CCC2=CC(=C(C=C2)OC)OC,Inactive
-CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=C(NN=C3)C,Active
-CC1=C(C=NN1)CNC(=O)C2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4,Inactive
-CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)NCC3=C(NN=C3)C)[N+](=O)[O-],Active
-CC1=C(C=NN1)CNC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C,Active
-CC1=C(C=NN1)CNC(=O)CSC2=CC3=C(C=C2)OCCO3,Inactive
-CC1=C(C=C2C(=C1)OC=C2CC(=O)NCC3=C(NN=C3)C)C(C)C,Active
-CCCOC1=C(C=C(C=C1)C(=O)NCC2=C(NN=C2)C)OCC,Active
-CC1=C(C=NN1)CNC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)Br,Active
-CC1=C(C=NN1)CNC(=O)C2=C(N(N=C2C)CC3=CC=CC=C3)Cl,Inactive
-CC1=C(C=NN1)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N(C)C3CCCCC3,Inactive
-CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NCC3=C(NN=C3)C,Inactive
-CCCCCCOC1=C(C=C(C=C1)C(=O)NCC2=C(NN=C2)C)OC,Inactive
-CC1=C(C=NN1)CNC(=O)C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC,Inactive
-CC1=C(C=NN1)CNC(=O)C(C(C)C)NC(=O)C2=CC=CO2,Active
-CC1=C(C=NN1)CNC(=O)C2=CC(=C(C=C2)OCC3=CC=C(C=C3)Cl)OC,Active
-CCCCOC1=C(C=C(C=C1)C(=O)NCC2=C(NN=C2)C)OC,Active
-CC1=C(C=CC(=C1)OCCCC(=O)NCC2=C(NN=C2)C)Cl,Active
-CC1=C(C=NN1)CNC(=O)C2=CC=C(C=C2)N3C(=C(C(=N3)C)Cl)C,Inactive
-CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)NCC2=C(NN=C2)C,Inactive
-CC1=C(C=NN1)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3,Active
-CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)NCC2=C(NN=C2)C,Inactive
-CC1=C(C=NN1)CNC(=O)C2=CC(=CC=C2)OC3=CC=CC=C3,Inactive
-CC1=C(C=NN1)CNC(=O)CSC2=CC=CC3=C2C(=CC=C3)Cl,Inactive
-CC1=C(C=NN1)CNC(=O)CC2=CC=C(C=C2)C3=CC=CC=C3,Active
-CC1=C(C=NN1)CNC(=O)CC2=CC(=C(C(=C2)OC)OC)OC,Inactive
-CC1=C(C=NN1)CNC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24,Inactive
-CC1=C(C=NN1)CNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4,Inactive
-CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NCC2=C(NN=C2)C,Inactive
-CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=C(NN=C3)C,Inactive
-CC1=C(C=NN1)CNC(=O)CCN2C(=O)C3=CC=CC=C3C2=O,Inactive
-CC1=C(C=NN1)CNC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCC3,Inactive
-CC1=C(C=NN1)CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4,Inactive
-CC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)NCC2=C(NN=C2)C,Inactive
-CC1=C(NC(=C1C(=O)C)C)C(=O)NCC2=C(NN=C2)C,Inactive
-CC1=C(C=NN1)CNC(=O)C(C(C)C)NC(=O)C2=CC=CC=C2F,Inactive
-CC1=C(C=NN1)CNC(=O)C2CCCCN2S(=O)(=O)C3=CC=CC=C3,Active
-CC1=C(C=NN1)CNC(=O)C(C(C)C)NC(=O)C2=CC=C(C=C2)OC,Inactive
-CC1=C(C=NN1)CNC(=O)C2=CC=CC=C2NC3=CC=CC=C3,Active
-CC1=C(C=NN1)CNC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-],Inactive
-CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)OC)C(=O)NCC4=C(NN=C4)C,Active
-CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)C(=O)NCC2=C(NN=C2)C,Active
-CC1=C(C=NN1)CNC(=O)C2=CN(N=C2C3=C(C=C(C=C3)OC)OC)C4=CC=CC=C4,Active
-CC1=C(C=NN1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)C,Active
-CC1=C(C=NN1)CNC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N(C)C,Active
-CC1=C(C=NN1)CNC(=O)CN2C(=O)C3=C(N=CN3C)N(C2=O)C,Active
-CC1=C(C=NN1)CNC(=O)C2=CC=C(S2)C3=CC=C(C=C3)Cl,Active
-CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=C(NN=C3)C,Active
-CC1=C(C=NN1)CNC(=O)C2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl,Active
-CC1=C(C=NN1)CNC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-],Active
-CC1=C(C=NN1)CNC(=O)CCC2=CC=C(O2)C3=CC=CC=C3,Active
-CC1=C(C=NN1)CNC(=O)C2CC(=O)N(C2)C3=CC=CC=C3Cl,Active
-CCCOC1=C(C=C(C=C1Cl)C(=O)NCC2=C(NN=C2)C)OCC,Inactive
-CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCC3=C(NN=C3)C,Inactive
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-CC1=CC=CC=C1C(=O)NC(CC(C)C)C(=O)NCC2=C(NN=C2)C,Active
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-CC1=C(C=NN1)CNC(=O)COC2=CC3=C(C=C2)OC4=C3CCCC4,Active
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-CC1=CC=C(O1)C2=NN(C=C2C(=O)NCC3=C(NN=C3)C)C4=CC=CC=C4,Active
-CC1=C(C=NN1)CNC(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-],Active
-CC1=C(C=NN1)CNC(=O)C2=CC(=C(C(=C2)Cl)OCCC(C)C)OC,Inactive
-CC1=CC(=CC=C1)NC(=O)CSCC(=O)NCC2=C(NN=C2)C,Active
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-CC1=C(C=NN1)CNC(=O)CC2=C(N(N=C2C)C3=CC(=C(C=C3)Cl)Cl)C,Active
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-CC1=C(C=NN1)CNC(=O)CCCOC2=CC=CC3=CC=CC=C32,Active
-CC1=C(C=NN1)CNC(=O)C2=C(N=C3N2C=CC=C3)Cl,Active
-CC1=C(C=NN1)CNC(=O)CCC2=NC(=NO2)C3=CN=CC=C3,Active
-CC1=C(C=NN1)CNC(=O)CCCOC2=C(C=C(C=C2)C#N)OC,Active
-CC1=C(NC(=C1C(=O)OCCOC)C)C(=O)NCC2=C(NN=C2)C,Active
-CC1=C(C=NN1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])OC3=CC=CC=C3,Active
-CC1=C(C=NN1)CNC(=O)C2=CC(=NC3=C2C(=NN3C(C)(C)C)C)C4CC4,Active
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-CC1=C(C=NN1)CNC(=O)C2=CC(=C(C=C2)OC)OC(F)F,Active
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-CC1=C(C=NN1)CNC(=O)CSCC2=NOC(=N2)C,Active
-CC1=C(C=NN1)CNC(=O)C2=CC=C(C=C2)CNC(=O)C3=CC=CS3,Active
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-CC1=C(C=NN1)CNC(=O)CCCOC2=CC=CC=C2Br,Active
-CC1=C(C=NN1)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)C(C)C,Active
-CC1=C(C=NN1)CNC(=O)C2=CC=C(O2)COC3=CC=CC=C3OC,Active
-CC1=C(C=NN1)CNC(=O)C2=CC(=C(N=C2)OCC(F)(F)F)Cl,Active
-CC1=C(C=NN1)CNC(=O)CC2=C(N(N=C2C)C3=C(C=C(C=C3)Cl)Cl)C,Active
-CC1=C(C=NN1)CNC(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=CS3,Active
-CC1=C(C=NN1)CNC(=O)C2=C(N(N=C2)C3=NC=C(C=C3)C(F)(F)F)C(C)C,Active
-CCC1=C(C=NN1C2=CC=CC=N2)C(=O)NCC3=C(NN=C3)C,Active
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-CC1=C(C=NN1)CNC(=O)C2CCCN2C(=O)C3=CC(=CC(=C3)Cl)Cl,Inactive
-CC1=CC(=C(C=C1)N2CC(CC2=O)C(=O)NCC3=C(NN=C3)C)F,Active
-CC1=C(C=NN1)CNC(=O)COC2=CC=CC=C2C(F)(F)F,Active
-CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCC3=C(NN=C3)C)C,Active
-CC1=C(C=NN1)CNC(=O)C2CC(=O)N(C2)C3=C(C=C(C=C3)F)F,Active
-CCOC1=CC=C(C=C1)C2=NC(=CS2)C(=O)NCC3=C(NN=C3)C,Active
-CC1=C(C=NN1)CNC(=O)C2=CC(=NN2)C3=CC=CC=C3Cl,Active
-CC1=C(C=NN1)CNC(=O)C2CCN(CC2)C(=O)CCC3=CC=CC=C3,Active
-CC1=C(C=NN1)CNC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCCCC3,Inactive
-CCOC(=O)NCCC(=O)NCC1=C(NN=C1)C,Active
-CCOC(=O)NC(C(C)C)C(=O)NCC1=C(NN=C1)C,Active
-CC1=C(C=NN1)CNC(=O)C2CCN(CC2)C(=O)COC3=CC=CC=C3,Active
-CC1=C(C=NN1)CNC(=O)CCCC2=NC3=CC=CC=C3N2,Active
-CC1=C(C=NN1)CNC(=O)C2=NOC(=C2)C3=CC=CC=C3OC,Inactive
-CC1=C(C=NN1)CNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3,Active
-CC1=C(C=NN1)CNC(=O)C2=C(N=C(S2)CC3=CC=C(C=C3)F)C,Active
-CC1=C(C=NN1)CNC(=O)CNC(=O)C2CCCC2,Inactive
-CC1CC1C(=O)NC2=CC=CC(=C2)C(=O)NCC3=C(NN=C3)C,Active
-CCN(CC)CC1=CC=C(C=C1)C(=O)NCC2=C(NN=C2)C,Active
-CC1=C(C=NN1)CNC(=O)C2=NN(C=C2)C3=CC=C(C=C3)F,Active
-CC1=C(C=NN1)CNC(=O)CNC(=O)C2=COC=C2,Active
-CC1=C(C=NN1)CNC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)F,Active
-CC1=C(C=NN1)CNC(=O)C2=C(N=C(S2)CC3=CC=CC=C3)C,Inactive
-CC1=C(C=NN1)CNC(=O)C2CC(=O)N(C2)C3=CC(=CC=C3)OC,Active
-CC1=C(C=NN1)CNC(=O)C2CCCN(C2)C3=NC=CC=N3,Inactive
-CC1=C(C=NN1)CNC(=O)C2CCCN(C2)C3=NC=CN=C3,Active
-CC1=C(C=NN1)CNC(=O)C2=C(N(N=C2)C3=NC=C(C=C3)C(F)(F)F)C,Inactive
-CC1=C(C=NN1)CNC(=O)CCNC(=O)C2=CC3=CC=CC=C3C=C2,Active
-CC1=C(C=NN1)CNC(=O)C2CC(=O)N(C2)C3=CC(=C(C(=C3)OC)OC)OC,Inactive
-CCOC1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)NCC3=C(NN=C3)C,Inactive
-CC1=C(C=NN1)CNC(=O)C2CC(=O)N(C2)C3=CC(=CC=C3)Br,Inactive
-CCC1=C(C=C(C=C1)C(=O)NCC2=C(NN=C2)C)S(=O)(=O)N3CCOCC3,Inactive
-CC1=C(C=CC(=C1)N2CC(CC2=O)C(=O)NCC3=C(NN=C3)C)Br,Active
-CC1=C(C=NN1)CNC(=O)C2=C(N(N=C2)C3=CC(=CC=C3)Cl)C(C)C,Inactive
-CCOC1=CC=C(C=C1)C2=NC(=C(S2)C(=O)NCC3=C(NN=C3)C)C,Inactive
-CC1=C(C=NN1)CNC(=O)C2=CC=C(C=C2)N3C(=C(C(=N3)C)Br)C,Active
-CC1=C(C=NN1)CNC(=O)C2=CC=C(C=C2)N3C=C(C=N3)Br,Inactive
-CC1=C(C=NN1)CNC(=O)C2=C(ON=C2C3=CC=C(C=C3)F)C,Active
-CC1=C(C(=O)N=C2C1=C(NN2C)C)CCC(=O)NCC3=C(NN=C3)C,Active
-CCCOC1=CC=CC(=C1)C(=O)NCC2=C(NN=C2)C,Active
-CC1=C(C=NN1)CNC(=O)C2CCCC(C2)C(F)(F)F,Active
-CC1=C(C=NN1)CNC(=O)C2=NN(C(=C2)C(C)C)C(C)(C)C,Inactive
-CC1=C(C=NN1)CNC(=O)C2=NN(C3=C2CCC3)C4=CC(=C(C=C4)F)F,Active
-CC1=C(C=NN1)CNC(=O)COC2=CC3=C(C=C2)C=C(C=C3)Br,Active
-CC1=C(C=NN1)CNC(=O)C2=CC(=CC=C2)CS(=O)(=O)C3=CC=CC=C3,Inactive
-CC1=C(C=NN1)CNC(=O)C2=NN(C3=C2CCCCC3)C4=CC=CC=C4,Active
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-CC1=C(C=NN1)CNC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=C(O3)Br,Inactive
-CC1=C(C=NN1)CNC(=O)CCC2=CC=C(C=C2)C(C)C,Inactive
-CC1=C(C=NN1)CNC(=O)C2=CC=C(O2)COC3=CC(=CC=C3)Br,Inactive
-CC1=C(C=NN1)CNC(=O)CNC(=O)CC2=CC(=CC=C2)F,Active
-CC1=C(C=C(C=C1)C(C)C)OC(C)C(=O)NCC2=C(NN=C2)C,Active
-CC1=CC(=C(C=C1)OC(C)C(=O)NCC2=C(NN=C2)C)Br,Active
-CC1=C(C=CC(=C1)OC(C)C(=O)NCC2=C(NN=C2)C)C(C)C,Active
-CC1=C(C=NN1)CNC(=O)C2=CC=C(O2)COC3=CC=C(C=C3)Br,Active
-CC1=CC(=CC(=C1)C(=O)N2CCCC(C2)C(=O)NCC3=C(NN=C3)C)C,Inactive
-CC1=C(C=NN1)CNC(=O)COC2=CC=CC(=C2)C#N,Active
-CC1=C(C=NN1)CNC(=O)C2=CN=C(C=C2)OC3=CC=C(C=C3)Br,Active
-CC(=CC1C(C1(C)C)C(=O)N2CCN(CC2)CCC#C)C,Inactive
-CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC(C)CCCN(CC)CC)NC1=O,Active
-CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NC(=O)CCNC3=CC=CC=C3[N+](=O)[O-],Active
-CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NC(=O)C(C)OC3=CC=C(C=C3)OC,Active
-CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NC(=O)CCNC(=O)NC3CCCCC3,Active
-CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)CN4C=CC=N4,Active
-CC1=C(C=C(C=C1)C(=O)NCC(=O)NC(C2=NC(=NO2)C3=CC=CC=C3)C(C)C)C,Inactive
-CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NC(=O)CNC(=O)C3=CC=CC=C3Cl,Active
-CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NC(=O)C3=CC=CNC3=O,Active
-CC1=CC=CC=C1C(=O)NCCC(=O)NC(C2=NC(=NO2)C3=CC=CC=C3)C(C)C,Inactive
-CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NC(=O)C3=CC4=NNN=C4C=C3,Active
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-CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NC(=O)C3COC4=CC=CC=C4O3,Active
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-CC1=CC=C(C=C1)C(=O)NCC(=O)NC(C2=NC(=NO2)C3=CC=CC=C3)C(C)C,Inactive
-CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=O)N3,Inactive
-CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NC(=O)CNC(=O)C3=CC=CC=C3F,Active
-CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)NC(=O)C,Inactive
-CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NC(=O)C3=NN(N=C3)C4=CC=CC=C4,Inactive
-CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NC(=O)CCCNC(=O)C3=CC=CS3,Active
-CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)N(C)C,Active
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-CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NC(=O)C3CCCO3,Inactive
-CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NC(=O)CCC3=CC=C(C=C3)OC,Inactive
-CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NC(=O)C3=NC=CN=C3,Active
-CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NC(=O)C3=CC(=C(C=C3)NC)[N+](=O)[O-],Inactive
-CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)C,Inactive
-CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NC(=O)COCCOC3=CC=CC=C3,Active
-CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NC(=O)C3=C(N=C4N3C=CC=C4)Cl,Active
-CC(C)C1=CC(=NN1)C(=O)NC(C2=NC(=NO2)C3=CC=CC=C3)C(C)C,Active
-CC(C)COCCC(=O)NC(C1=NC(=NO1)C2=CC=CC=C2)C(C)C,Inactive
-CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NC(=O)CCC3=CC(=C(C=C3)F)F,Inactive
-CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NC(=O)C3=NOC(=C3)C4=CC=CC=C4OC,Inactive
-CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NC(=O)CNC(=O)C3CCCC3,Active
-CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NC(=O)C3CCCC(C3)C(F)(F)F,Active
-CCC(=O)N1CCC2=C1C=CC(=C2)C(=O)NC(C3=NC(=NO3)C4=CC=CC=C4)C(C)C,Inactive
-CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NC(=O)C3=NSN=C3,Inactive
-CC(C(=O)NC(CN1CCOCC1)C2=CC=C(C=C2)OC)OC3=CC=C(C=C3)OC,Inactive
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-CC1=CC=C(C=C1)C(=O)NCC(=O)NC(CN2CCOCC2)C3=CC=C(C=C3)OC,Inactive
-COC1=CC=C(C=C1)C(CN2CCOCC2)NC(=O)CNC(=O)C3=CC=CC=C3F,Inactive
-CC1=C(OC2=C1C=C(C=C2)F)C(=O)NC(CN3CCOCC3)C4=CC=C(C=C4)OC,Inactive
-COC1=CC=C(C=C1)C(CN2CCOCC2)NC(=O)C3=C(SC(=C3)Cl)Cl,Inactive
-COC1=CC=C(C=C1)C(CN2CCOCC2)NC(=O)COC3=CC=CC=C3OC,Inactive
-CC1CC1C(=O)NC(CN2CCOCC2)C3=CC=C(C=C3)OC,Active
-COC1=CC=C(C=C1)C(CN2CCOCC2)NC(=O)CC3=CC(=C(C=C3)OC)OC,Inactive
-CC(C(=O)NC(CN1CCOCC1)C2=CC=C(C=C2)OC)OCC(F)(F)F,Inactive
-CC1=NC(=NO1)CSCC(=O)NC(CN2CCOCC2)C3=CC=C(C=C3)OC,Active
-COC1=CC=C(C=C1)C(CN2CCOCC2)NC(=O)CCC3=CC(=C(C=C3)F)F,Inactive
-CN(CC(=O)NC(CN1CCOCC1)C2=CC=C(C=C2)OC)C(=O)C3=CC=CS3,Active
-CC(C(=O)NC(CN1CCOCC1)C2=CC=C(C=C2)OC)OCC3=CC=CC=C3,Inactive
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-C#CCCN1CCN(CC1)C(=O)C2CC3CCC2C3,Active
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-C#CCCN1CCN(CC1)C(=O)CNC(=O)CC2=CC=CC=C2,Inactive
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-CC(C(=O)N1CCN(CC1)CCC#C)NS(=O)(=O)C2=CC=CC=C2C(F)(F)F,Active
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-C#CCCN1CCN(CC1)C(=O)CCN2C(=NNC2=S)C3=CC=CS3,Active
-C#CCCN1CCN(CC1)C(=O)C2CCS(=O)(=O)C2,Active
-CC1=CC2=CC=CC=C2N1CC(=O)N3CCN(CC3)CCC#C,Active
-C#CCCN1CCN(CC1)C(=O)C2=C(C=CC(=C2)F)Br,Inactive
-C#CCCN1CCN(CC1)C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)Cl)C(F)(F)F,Active
-CC1=NC=C(C=C1C(=O)N2CCN(CC2)CCC#C)[N+](=O)[O-],Active
-CN(C1CCCCC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)CCC#C,Active
-C#CCCN1CCN(CC1)C(=O)C2=CC3=C(O2)C=CC(=C3)Cl,Active
-CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CCC#C)F,Inactive
-COC1=CC(=CC(=C1)CCC(=O)N2CCN(CC2)CCC#C)OC,Active
-CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CCC#C)OC,Inactive
-C#CCCN1CCN(CC1)C(=O)C2=CC(=NN2)C3=CC=CC=C3,Inactive
-CC1=CC=C(C=C1)CN2C3=C(C=N2)C(=CC(=N3)C)C(=O)N4CCN(CC4)CCC#C,Inactive
-C#CCCN1CCN(CC1)C(=O)CCC2=NC(=NO2)C3=CSC=C3,Active
-C#CCCN1CCN(CC1)C(=O)C2=CC(=CN2)S(=O)(=O)N3CCOCC3,Active
-CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)N2CCN(CC2)CCC#C,Active
-C#CCCN1CCN(CC1)C(=O)CCN2CCSC2=O,Active
-C#CCCN1CCN(CC1)C(=O)C2=CC=C(C=C2)SC(F)(F)F,Active
-CC1=CC(=O)C(=NN1C2=CC=CC=C2)C(=O)N3CCN(CC3)CCC#C,Inactive
-COC1=CC(=CC(=C1OCC(=O)N)OC)C(=O)N2CCN(CC2)CCC#C,Inactive
-COC1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)CCC(=O)N4CCN(CC4)CCC#C,Inactive
-COC1=CC(=CC(=C1Br)OC)C(=O)N2CCN(CC2)CCC#C,Inactive
-C#CCCN1CCN(CC1)C(=O)C2=C(C=CC(=C2)Cl)F,Active
-C#CCCN1CCN(CC1)C(=O)CCC2=NC(=NO2)C3=CC=CS3,Inactive
-CC1=CC=C(C=C1)C2=NN=C(O2)CCC(=O)N3CCN(CC3)CCC#C,Inactive
-C#CCCN1CCN(CC1)C(=O)C2CC3=C(C=CC(=C3)Cl)OC2,Active
-CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)C(=O)N3CCN(CC3)CCC#C,Inactive
-CC1=C(SC2=CC=CC=C12)C(=O)N3CCN(CC3)CCC#C,Inactive
-COC1=C(C=C(C=C1)C2=NC(=CS2)C(=O)N3CCN(CC3)CCC#C)OC,Active
-C#CCCN1CCN(CC1)C(=O)C2=CC=C(C=C2)N3CCCS3(=O)=O,Active
-C#CCCN1CCN(CC1)C(=O)CN2C(=O)C3=CC=CC=C3N=N2,Active
-C#CCCN1CCN(CC1)C(=O)C2=CSC(=N2)C3=CC=C(C=C3)Cl,Active
-CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)CCC#C)NC1=S,Active
-CC1=C(C(=NO1)C)S(=O)(=O)N2CCCC(C2)C(=O)N3CCN(CC3)CCC#C,Inactive
-COC1=NC=C(C=C1)C(=O)N2CCN(CC2)CCC#C,Active
-CCOC1=C(C=C(C=C1)C(=O)NCC(=O)N2CCN(CC2)CCC#C)OCC,Inactive
-C#CCCN1CCN(CC1)C(=O)CNC(=O)C2=CC(=CC=C2)Br,Active
-C#CCCN1CCN(CC1)C(=O)CNC(=O)C2=CC3=C(C=C2)OCO3,Active
-COC1=CC(=CC(=C1OC)OC)C(=O)NCC(=O)N2CCN(CC2)CCC#C,Inactive
-C#CCCN1CCN(CC1)C(=O)CNC(=O)C2=CC=C(O2)Br,Inactive
-CCOC1=CC=C(C=C1)C(=O)NCC(=O)N2CCN(CC2)CCC#C,Inactive
-CC1=C(C=C(C=C1)C(=O)NCC(=O)N2CCN(CC2)CCC#C)C,Inactive
-CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)CCC#C,Active
-C#CCCN1CCN(CC1)C(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3,Inactive
-C#CCCN1CCN(CC1)C(=O)C2CC3=C(O2)C=CC(=C3)Cl,Active
-CN1C=C(C=N1)C(=O)N2CCN(CC2)CCC#C,Active
-C#CCCN1CCN(CC1)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F,Inactive
-C#CCCN1CCN(CC1)C(=O)C2=CC(=C(S2)N3CCOCC3)C4=CC=CC=C4,Inactive
-CC1=C(C(=NC2=NC(=NN12)C(F)(F)F)C)CCC(=O)N3CCN(CC3)CCC#C,Inactive
-CC1=NC(=CS1)COC2=CC=C(C=C2)C(=O)N3CCN(CC3)CCC#C,Inactive
-CC1=CC(=O)C(=NN1C2=CC=CC=C2C(F)(F)F)C(=O)N3CCN(CC3)CCC#C,Inactive
-C#CCCN1CCN(CC1)C(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O,Inactive
-C#CCCN1CCN(CC1)C(=O)CNC(=O)C2=CC=C(C=C2)N3CCCC3=O,Inactive
-CC1=CC=NN1C2=CC=C(C=C2)C(=O)N3CCN(CC3)CCC#C,Inactive
-CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)N2CCN(CC2)CCC#C,Active
-C#CCCN1CCN(CC1)C(=O)CC2=CC=C(C=C2)N3CCCC3=O,Inactive
-CC1=CC=CC(=C1)C2=NNC(=S)N2CC(=O)N3CCN(CC3)CCC#C,Inactive
-C#CCCN1CCN(CC1)C(=O)CN2C(=NNC2=S)C3=CC=CS3,Active
-COC1=C(C(=C(C(=C1)C(=O)N2CCN(CC2)CCC#C)[N+](=O)[O-])OC)OC,Inactive
-C#CCCN1CCN(CC1)C(=O)CCN2C3=C(C=C(C=C3)Cl)OC2=O,Active
-C#CCCN1CCN(CC1)C(=O)CCC2=NC(=NO2)C3=CC=C(C=C3)Cl,Active
-C#CCCN1CCN(CC1)C(=O)C2=CNC(=S)N2C3=CC=CC=C3,Active
-CC1=C(C(=NN1C2=CC=C(C=C2)F)C)C(=O)N3CCN(CC3)CCC#C,Active
-C#CCCN1CCN(CC1)C(=O)C2=CC=C(C=C2)CN3C(=O)CCC3=O,Active
-COC1=CN(N=C1C(=O)N2CCN(CC2)CCC#C)C3=CC=CC=C3,Inactive
-C#CCCN1CCN(CC1)C(=O)C2=CC3=CC=CC=C3S2,Inactive
-COCC1=CC=CC(=C1)C(=O)N2CCN(CC2)CCC#C,Inactive
-C#CCCN1CCN(CC1)C(=O)C2=CC=C(C=C2)N3C=CC=C3,Active
diff --git a/data/efsa.csv b/data/efsa.csv
index eda38a7..c9e9093 100644
--- a/data/efsa.csv
+++ b/data/efsa.csv
@@ -1,695 +1,695 @@
 ID,SMILES,Mutagenicity
-efsa_1214-39-7,c1ccc(cc1)CNc1ncnc2c1[nH]cn2,0
-efsa_148-24-3,OS(=O)(=O)O.Oc1cccc2c1nccc2.Oc1cccc2c1nccc2,1
-efsa_148-24-3,Oc1cccc2c1nccc2,1
-efsa_71751-41-2,CO[C@H]1C[C@H](O[C@H]2[C@@H](C)/C=C/C=C/3\CO[C@H]4[C@]3(O)[C@@H](C=C([C@H]4O)C)C(=O)O[C@H]3C[C@@H](C/C=C/2\C)O[C@]2(C3)C=C[C@@H]([C@H](O2)[C@H](CC)C)C)O[C@H]([C@@H]1O[C@H]1C[C@H](OC)[C@H]([C@@H](O1)C)O)C,0
-efsa_101007-06-1,N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H]1[C@@H](C1(C)C)/C=C\C(=O)OC(C(F)(F)F)C(F)(F)F,0
-efsa_150114-71-9,Clc1cc(N)c(c(n1)C(=O)O)Cl,0
-efsa_120162-55-2,COc1nc(nc(c1)O)NC(=O)NS(=O)(=O)c1n(C)ncc1c1nnn(n1)C,0
-efsa_120162-55-2,COc1cc(OC)nc(n1)N,0
-efsa_120162-55-2,Cn1nnc(n1)c1cnn(c1S(=O)(=O)N)C,0
-efsa_94-75-7,Clc1ccc(c(c1)Cl)O,0
-efsa_94-82-6,OC(=O)CCCOc1ccc(cc1Cl)Cl,0
-efsa_83055-99-6,O=C1NS(=O)(=O)Cc2c1cccc2,0
-efsa_83055-99-6,COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)Cc1ccccc1C(=O)O,0
-efsa_83055-99-6,COC(=O)c1ccccc1CS(=O)(=O)N,0
-efsa_25057-89-0,CC(N1C(=O)c2ccccc2NS1(=O)=O)C,0
-efsa_177406-68-7,CC(OC(=O)N[C@@H](C(=O)N[C@@H](c1nc2c(s1)cc(cc2)F)C)C(C)C)C,1
-efsa_55179-31-2,OC(C(C)(C)C)C(n1cncn1)Oc1ccc(cc1)c1ccccc1,0
-efsa_581809-46-3,Fc1ccc(c(c1)c1ccc(c(c1)Cl)Cl)NC(=O)c1cn(nc1C(F)F)C,0
-efsa_28772-56-7,Brc1ccc(cc1)c1ccc(cc1)C(CC(c1c(=O)oc2c(c1O)cccc2)c1ccccc1)O,0
-efsa_116255-48-2,BrC1COC(C1)(Cn1cncn1)c1ccc(cc1Cl)Cl,0
-efsa_41483-43-6,CCCCc1c(C)nc(nc1OS(=O)(=O)N(C)C)NCC,0
-efsa_41483-43-6,CCCCc1c(=O)nc([nH]c1C)NCC,0
-efsa_69327-76-0,CC(N1C(=NC(C)(C)C)SCN(C1=O)c1ccccc1)C,0
-efsa_95465-99-9,CCOP(=O)(SC(CC)C)SC(CC)C,0
-efsa_133-06-2,ClC(SN1C(=O)C2C(C1=O)CC=CC2)(Cl)Cl,1
-efsa_571-58-4,Cc1ccc(c2c1cccc2)C,0
-efsa_3100-04-7,CC1=CC1,0
-efsa_97-53-0,C=CCc1ccc(c(c1)OC)O,0
-efsa_86-86-2,NC(=O)Cc1cccc2c1cccc2,0
-efsa_86-87-3,OC(=O)Cc1cccc2c1cccc2,0
-efsa_86-87-3,[O-]C(=O)Cc1cccc2c1cccc2.[Na+],0
-efsa_94-75-7,OC(=O)COc1ccc(cc1Cl)Cl,0
-efsa_71751-41-2,COC1CC(OC2C(C)C=CC=C3COCC4C3(O)C(C=C(C4O)C)C(=O)OC3CC(CC=C2C)OC2(C3)C=CC(C(O2)C(CC)C)C)OC(C1OC1CC(OC)C(C(O1)C)O)C,0
-efsa_71751-41-2,CO[C@H]1C[C@H](OC[C@]2(C)C=CC=C3CO[C@H]4[C@]3(O)[C@@H](C=C([C@H]4O)C)C(=O)O[C@H]3C[C@@H](CC=C2C)O[C@]2(C3)C=C[C@@H]([C@H](O2)[C@H](CC)C)C)O[C@H]([C@@H]1O[C@H]1C[C@H](OC)[C@H]([C@@H](O1)C)O)C,0
-efsa_57960-19-7,CCCCCCCCCCCCC1=C(OC(=O)C)C(=O)c2c(C1=O)cccc2,0
-efsa_57960-19-7,CCCCCCCCCCC(=O)C(=O)c1ccccc1C(=O)O,0
-efsa_135158-54-2,CSC(=O)c1cccc2c1snn2,0
-efsa_135158-54-2,OC(=O)c1cccc2c1snn2,1
-efsa_135158-54-2,OC(=O)c1ccc(c2c1snn2)O,0
-efsa_135158-54-2,Oc1cc2nnsc2c(c1)C(=O)O,0
-efsa_74070-46-5,Clc1c(ccc(c1N)[N+](=O)[O-])Oc1ccccc1,0
-efsa_101007-06-1,N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)/C=C\C(=O)O,0
-efsa_101007-06-1,OC(=O)/C=C\C1C(C1(C)C)C(=O)O,0
-efsa_7784-26-1,[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].O.O.O.O.O.O.O.O.O.O.O.O.[NH4+],0
-efsa_20859-73-8,[Mg+2].[Mg+2].[Mg+2].[P-3].[P-3],0
-efsa_12057-74-8,P,0
-efsa_20859-73-8,[Al]#P,0
-efsa_120923-37-7,COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)N(S(=O)(=O)C)C,0
-efsa_120923-37-7,COc1nc(nc(c1)O)NC(=O)NS(=O)(=O)N(S(=O)(=O)C)C,0
-efsa_120923-37-7,Oc1cc(=O)[nH]c(n1)N,0
-efsa_16118-49-3,CCNC(=O)C(OC(=O)Nc1ccccc1)C,0
-efsa_348635-87-0,Fc1ccc2c(c1)n(c(c2Br)C)S(=O)(=O)c1ncn(n1)S(=O)(=O)N(C)C,0
-efsa_348635-87-0,Cc1c(Br)c2c(n1S(=O)(=O)C1=NN=C[N]1)cc(cc2)F,0
-efsa_131860-33-8,CO/C=C(\c1ccccc1Oc1ncnc(c1)Oc1ccccc1C#N)/C(=O)OC,0
-efsa_131860-33-8,N#Cc1ccccc1Oc1ncnc(c1)Oc1ccccc1/C(=C/C(=O)C)/C(=O)O,0
-efsa_50-81-7,OCC(C1OC(=O)C(=C1O)O)O,0
-efsa_11141-17-6,C/C=C(/C(=O)OC1CC(OC(=O)C)C2(C3C41COC(C4C(C)(C(C3OC2)O)C12OC2(C)C2CC1OC1C2(O)C=CO1)(O)C(=O)OC)OC(=O)C)\C,0
-efsa_1861-40-1,CCCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CC,0
-efsa_120162-55-2,COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1n(C)ncc1c1nnn(n1)C,0
-efsa_82560-54-1,CCOC(=O)CCN(C(C)C)SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C,0
-efsa_83055-99-6,COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)Cc1ccccc1C(=O)OC,0
-efsa_25057-89-0,CC(N1C(=O)c2ccccc2[N-]S1(=O)=O)C.[Na+],0
-efsa_25057-89-0,CC(N1C(=O)c2cccc(c2NS1(=O)=O)O)C,0
-efsa_65731-84-2,N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,1
-efsa_42576-02-3,COC(=O)c1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)Cl,0
-efsa_71626-11-4,COC(=O)C(N(c1c(C)cccc1C)C(=O)Cc1ccccc1)C,0
-efsa_98243-83-5,COC(=O)C(N(c1c(C)cccc1C)C(=O)CC(=O)O)C,0
-efsa_71626-11-4,CC(N(c1c(C)cccc1C)C(=O)CC(=O)O)C(=O)O,0
-efsa_177406-68-7,Fc1ccc2c(c1)sc(n2)O,0
-efsa_177406-68-7,Fc1ccc2c(c1)sc(n2)C(O)C,0
-efsa_177406-68-7,Fc1ccc2c(c1)sc(n2)C(=O)C,1
-efsa_177406-68-7,CC(OC(=O)NC(C(=O)NC(c1sc2c(n1)cc(c(c2)F)O)C)C(C)C)C,0
-efsa_105512-06-9,C#CCOC(=O)[C@H](Oc1ccc(cc1)Oc1ncc(cc1F)Cl)C,0
-efsa_81777-89-1,O=C1N(OCC1(C)C)Cc1ccccc1Cl,0
-efsa_81777-89-1,O=C1NOCC1(C)C,0
-efsa_51338-27-3,COC(=O)C(Oc1ccc(cc1)Oc1ccc(cc1Cl)Cl)C,0
-efsa_64902-72-3,COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1Cl,0
-efsa_64902-72-3,Clc1ccccc1S(=O)(=O)N,0
-efsa_64902-72-3,O=C(NS(=O)(=O)c1ccccc1Cl)NC(=N)/N=C(/O)\N,0
-efsa_1702-17-6,Clc1ccc(c(n1)C(=O)O)Cl,0
-efsa_122008-85-9,CCCCOC(=O)C(Oc1ccc(cc1)Oc1ccc(cc1F)C#N)C,0
-efsa_35367-38-5,O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1)Cl,0
-efsa_16118-49-3,CC(C(=O)NC(=O)O)OC(=O)Nc1ccccc1,0
-efsa_5234-68-4,O=C(C1=C(C)OCCS1)Nc1ccccc1,0
-efsa_5234-68-4,O=S1CCOC(=C1C(=O)N)C,0
-efsa_15165-67-0,OC(=O)[C@H](Oc1ccc(cc1Cl)Cl)C,0
-efsa_83164-33-4,Fc1ccc(c(c1)F)NC(=O)c1cccnc1Oc1cccc(c1)C(F)(F)F,0
-efsa_83164-33-4,OC(=O)c1cccnc1Oc1cccc(c1)C(F)(F)F,0
-efsa_66215-27-8,Nc1nc(NC2CC2)nc(n1)N,0
-efsa_99-30-9,[O-][N+](=O)c1cc(Cl)c(c(c1)Cl)N,1
-efsa_7173-51-5,CCCCCCCCCC[N+](CCCCCCCCCC)(C)C.[Cl-],0
-efsa_333-41-5,CCOP(=S)(Oc1cc(C)nc(n1)C(C)C)OCC,0
-efsa_74115-24-5,Clc1ccccc1c1nnc(nn1)c1ccccc1Cl,0
-efsa_57966-95-7,CCNC(=O)NC(=O)/C(=N/OC)/C#N,0
-efsa_85-00-7,c1cc[n+]2c(-c3cccc[n+]3CC2)c1,0
-efsa_85-00-7,O=C1NCC[n+]2c1cccc2,0
-efsa_31717-87-0,CC1OC(C)CN(C1)C1CCCCCCCCCCC1.CC(=O)O,0
-efsa_2439-10-3,CC(=O)O.CCCCCCCCCCCCNC(=N)N,0
-efsa_106325-08-0,Fc1ccc(cc1)C1(Cn2cncn2)OC1c1ccccc1Cl,0
-efsa_1918-00-9,COc1c(Cl)ccc(c1C(=O)O)Cl,0
-efsa_1918-00-9,COc1c(Cl)cc(c(c1C(=O)O)Cl)O,0
-efsa_66230-04-4,N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C(c1ccc(cc1)Cl)C(C)C,0
-efsa_66230-04-4,N#CC(C(c1ccc(cc1)Cl)C(C)C)c1cccc(c1)Oc1ccccc1,0
-efsa_66230-04-4,NC(=O)C(c1cccc(c1)Oc1ccccc1)OC(=O)C(c1ccc(cc1)Cl)C(C)C,0
-efsa_2593-15-9,CCOc1snc(n1)C(Cl)(Cl)Cl,0
-efsa_2593-15-9,CCOc1nc(ns1)C(=O)O,0
-efsa_180409-60-3,O=C(N=C(c1c(F)c(F)ccc1C(F)(F)F)NOCC1CC1)Cc1ccccc1,0
-efsa_180409-60-3,N/C(=N\OCC1CC1)/c1c(F)c(F)ccc1C(F)(F)F,0
-efsa_180409-60-3,NC(=N)c1c(F)c(F)ccc1C(F)(F)F,0
-efsa_180409-60-3,NC(=O)c1c(F)c(F)ccc1C(F)(F)F,0
-efsa_180409-60-3,O=C(N/C(=N\OCC1CC1)/c1c(F)c(F)ccc1C(F)(F)F)CC(=O)O,0
-efsa_180409-60-3,O=C(N/C(=N/OCC1CC1)/c1c(F)c(F)ccc1C(F)(F)F)Cc1ccccc1,0
-efsa_180409-60-3,OC(=O)C1CC1,0
-efsa_180409-60-3,OCC1CC1,0
-efsa_94361-06-5,CC(C(c1ccc(cc1)Cl)(Cn1ncnc1)O)C1CC1,0
-efsa_94361-06-5,OC(=O)/C=C/C(C(c1ccc(cc1)Cl)(Cn1cncn1)O)C,0
-efsa_94361-06-5,OC(=O)CC(C(C(c1ccc(cc1)Cl)(Cn1cncn1)O)C)O,0
-efsa_121552-61-2,Cc1nc(Nc2ccccc2)nc(c1)C1CC1,0
-efsa_121552-61-2,Cc1cc(nc(n1)N)C1CC1,0
-efsa_121552-61-2,Cc1nc(Nc2cccc(c2)O)nc(c1)C1CC1,0
-efsa_121552-61-2,OCc1nc(N)nc(c1)C1CC1,0
-efsa_121552-61-2,Cc1cc(nc(n1)O)C1CC1,0
-efsa_121552-61-2,OCc1nc(Nc2ccccc2)nc(c1)C1CC1,0
-efsa_110488-70-5,COc1cc(ccc1OC)/C(=C/C(=O)N1CCOCC1)/c1ccc(cc1)Cl,0
-efsa_50563-36-5,COCCN(c1c(C)cccc1C)C(=O)CCl,0
-efsa_50563-36-5,COCCN(c1c(C)cccc1C)C(=O)C(=O)O,0
-efsa_50563-36-5,COCCN(c1c(C)cccc1C)C(=O)CS(=O)(=O)O[Na],0
-efsa_50563-36-5,[Na]OS(=O)(=O)CC(=O)Nc1c(C)cccc1C,0
-efsa_50563-36-5,COC(=O)CN(c1c(C)cccc1C)C(=O)CS(=O)(=O)O[Na],0
-efsa_50563-36-5,OCC(=O)N(c1c(C)cccc1C)CCSCC(C(=O)O)O,0
-efsa_50563-36-5,COCCN(c1c(C)cccc1C(=O)O)C(=O)CO,0
-efsa_87130-20-9,CCOc1cc(ccc1OCC)NC(=O)OC(C)C,0
-efsa_80844-07-1,CCOc1ccc(cc1)C(COCc1cccc(c1)Oc1ccccc1)(C)C,0
-efsa_80844-07-1,CCOc1ccc(cc1)C(COC(=O)c1cccc(c1)Oc1ccccc1)(C)C,0
-efsa_149961-52-4,CON=C(c1ccccc1COc1cc(C)ccc1C)C(=O)NC,0
-efsa_149961-52-4,CO/N=C(\c1ccccc1CO)/C(=O)NC,0
-efsa_13708-85-5,[O-]P(=O)=O.[Na+].[Na+],0
-efsa_82657-04-3,O=C(C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl)OCc1cccc(c1C)c1ccccc1,0
-efsa_82560-54-1,CNC(=O)Oc1cccc2c1OC(C2)(C)C,0
-efsa_82560-54-1,Oc1cccc2c1OC(C2)(C)C,0
-efsa_1563-66-2,CNC(=O)Oc1cccc2c1OC(C2O)(C)C,0
-efsa_122-39-4,c1ccc(cc1)Nc1ccccc1,0
-efsa_125401-92-5,COc1nc(Oc2cccc(c2C(=O)[O-])Oc2nc(OC)cc(n2)OC)nc(c1)OC.[Na+],0
-efsa_125401-92-5,COc1cc(OC)[nH]c(=O)n1,0
-efsa_125401-92-5,COc1cc(=O)[nH]c(=O)[nH]1,0
-efsa_125401-92-5,COc1cc(OC)nc(n1)Oc1cccc(c1C(=O)O)Oc1nc(OC)c(c(n1)OC)O,0
-efsa_125401-92-5,COc1nc(nc(c1)O)Oc1cccc(c1C(=O)[O-])O.[Na+],0
-efsa_125401-92-5,COc1cc(OC)nc(n1)Oc1cccc(c1C(=O)O)O,0
-efsa_125401-92-5,COc1cc(O)nc(n1)Oc1cccc(c1C(=O)[O-])Oc1nc(OC)cc(n1)OC.[Na+],0
-efsa_177406-68-7,Fc1ccc2c(c1)sc(n2)c1nc2c(s1)cc(cc2)F,1
-efsa_99129-21-2,Cl/C=C/CO/N=C(/C1=C(O)CC(CC1=O)CC(SCC)C)\CC,1
-efsa_99129-21-2,CCC(=N)C1=C(O)CC(CC1=O)CC(S(=O)(=O)CC)C,0
-efsa_99129-21-2,Cl/C=C/CO/N=C(/C1=C(O)CC(CC1=O)(O)CC(S(=O)(=O)CC)C)\CC,0
-efsa_99129-21-2,Cl/C=C/CO/N=C(/C1=C(O)CC(CC1=O)CC(S(=O)(=O)CC)C)\CC,1
-efsa_99129-21-2,CCc1oc2c(n1)C(=O)CC(C2)CC(S(=O)(=O)CC)C,0
-efsa_97780-06-8,CCOc1nc(NC(=O)N)nc(n1)NC,0
-efsa_97780-06-8,CCOc1nc(NC)nc(n1)N,0
-efsa_97780-06-8,CCOc1nc(nc(n1)NC)NC(=O)NS(=O)(=O)c1ccccc1C(=O)O,0
-efsa_97780-06-8,CNc1nc(nc(n1)O)NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC,0
-efsa_97780-06-8,COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(N)nc(n1)O,0
-efsa_97780-06-8,CCOc1nc(nc(n1)N)NC(=O)NS(=O)(=O)c1ccccc1C(=O)O,0
-efsa_97780-06-8,OC(=O)c1ccccc1S(=O)(=O)N,0
-efsa_97780-06-8,CCOc1nc(N)nc(n1)N,0
-efsa_13194-48-4,CCCSP(=O)(SCCC)OCC,0
-efsa_3347-22-6,N#Cc1sc2=c(sc1C#N)c(=O)c1c(c2=O)cccc1,0
-efsa_1861-32-1,COC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)OC,0
-efsa_1861-32-1,OC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)O,0
-efsa_1861-32-1,COC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)O,0
-efsa_98243-83-5,COC(=O)[C@H](N(c1c(C)cccc1C)C(=O)Cc1ccccc1)C,0
-efsa_736994-63-1,N#Cc1cc(C)c(c(c1)C(=O)NC)NC(=O)c1cc(nn1c1ncccc1Cl)Br,0
-efsa_736994-63-1,CNC(=O)c1cc(cc(c1NC(=O)c1cc(nn1c1ncccc1Cl)Br)C)C(=O)O,0
-efsa_736994-63-1,Brc1nn(c(c1)c1nc(=O)c2c([nH]1)c(C)cc(c2)C(=O)O)c1ncccc1Cl,0
-efsa_736994-63-1,CNC(=O)C1=NN=C([CH]1)Br,0
-efsa_736994-63-1,N#Cc1cc(C)c2c(c1)c(=O)n1c(n2)c(Cl)ccc1,0
-efsa_106-24-1,OCC=C(CCC=C(C)C)C,0
-efsa_500008-45-7,CNC(=O)c1cc(Cl)cc(c1NC(=O)c1cc(nn1c1ncccc1Cl)Br)C,0
-efsa_500008-45-7,Clc1cc(C)c2c(c1)c(=O)n(c(n2)c1cc(nn1c1ncccc1Cl)Br)C,0
-efsa_500008-45-7,Clc1cc(C)c2c(c1)c(=O)n(c(n2)C1=NN=C([CH]1)Br)C,0
-efsa_500008-45-7,Clc1cc(C)c2c(c1)c(=O)n1c(n2)c(Cl)ccc1,0
-efsa_55285-14-8,CCCCN(SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C)CCCC,0
-efsa_1698-60-8,Nc1cnn(c(=O)c1Cl)c1ccccc1,1
-efsa_1698-60-8,Nc1cn[nH]c(=O)c1Cl,0
-efsa_1698-60-8,Cn1ncc(c(c1=O)Cl)N,0
-efsa_143807-66-3,Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)CCCO2,0
-efsa_143807-66-3,Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)C(O)CCO2,0
-efsa_143807-66-3,O=C1CCc2c(O1)ccc(c2C)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,0
-efsa_143807-66-3,Cc1cc(cc(c1)C(=O)O)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)C(O)CCO2,0
-efsa_999-81-5,ClCC[N+](C)(C)C.[Cl-],0
-efsa_400882-07-7,COCCOC(=O)C(C(=O)c1ccccc1C(F)(F)F)(c1ccc(cc1)C(C)(C)C)C#N,0
-efsa_400882-07-7,OC(=O)c1ccccc1C(F)(F)F,0
-efsa_400882-07-7,NC(=O)c1ccccc1C(F)(F)F,1
-efsa_128639-02-1,CCOC(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C)Cl,0
-efsa_128639-02-1,OC(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C)Cl,0
-efsa_128639-02-1,Fc1cc(Cl)c(cc1n1nc(n(c1=O)C(F)F)C)C(=O)O,0
-efsa_128639-02-1,OC(=O)CCc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,0
-efsa_128639-02-1,OC(=O)/C=C/c1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,0
-efsa_128639-02-1,OC(=O)C(Cc1cc(c(cc1Cl)F)n1ncn(c1=O)C(F)F)Cl,0
-efsa_128639-02-1,OC(=O)C(S(=O)(=O)O)Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,0
-efsa_128639-02-1,FC(n1c(C)n[nH]c1=O)F,0
-efsa_128639-02-1,OCc1nn(c(=O)n1C(F)F)c1cc(C(=O)O)c(cc1F)Cl,0
-efsa_128639-02-1,COc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,0
-efsa_128639-02-1,OC(=O)c1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C(=O)O,0
-efsa_330-54-1,O=C(N(C)C)Nc1ccc(c(c1)Cl)Cl,0
-efsa_330-54-1,CN(C(=O)Nc1ccc(cc1)Cl)C,0
-efsa_330-54-1,Clc1cccc(c1)NC(=O)N(C)C,0
-efsa_330-54-1,CN(C(=O)Nc1cc(Cl)cc(c1)Cl)C,0
-efsa_101205-02-1,CCO/N=C(/C1=C(O)CC(CC1=O)C1CCCSC1)\CCC,0
-efsa_101205-02-1,CCO/N=C(/C1=C(O)CC(CC1=O)(O)C1CCCS(=O)C1)\CCC,0
-efsa_101205-02-1,CCO/N=C(/C1=C(O)CC(CC1=O)C1CCCS(=O)C1)\CCC,0
-efsa_101205-02-1,OC(=O)CC(C1CCCS(=O)(=O)C1)CC(=O)O,0
-efsa_101205-02-1,OC(=O)CC(C1CCCS(=O)C1)CC(=O)O,0
-efsa_26225-79-6,CCOC1Oc2c(C1(C)C)cc(cc2)OS(=O)(=O)C,0
-efsa_26225-79-6,OC(=O)C(c1cc(ccc1O)OS(=O)(=O)C)(C)C,0
-efsa_2921-88-2,CCOP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OCC,0
-efsa_2921-88-2,Clc1[nH]c(=O)c(cc1Cl)Cl,0
-efsa_10605-21-7,COC(=O)Nc1nc2c([nH]1)cccc2,1
-efsa_10605-21-7,Nc1cc2nc3ccccc3nc2cc1N,1
-efsa_10605-21-7,COC(=O)Nc1nc2c([nH]1)cc(cc2)O,0
-efsa_120928-09-8,CC(c1ccc(cc1)CCOc1ncnc2c1cccc2)(C)C,0
-efsa_120928-09-8,CC(c1ccc(cc1)C(C)(C)C)O,0
-efsa_120928-09-8,O=c1nc[nH]c2c1cccc2,0
-efsa_63-25-2,CNC(=O)Oc1cccc2c1cccc2,0
-efsa_134098-61-6,Cc1nn(c(c1/C=N/OCc1ccc(cc1)C(=O)OC(C)(C)C)Oc1ccccc1)C,0
-efsa_533-74-4,CN1CN(C)CSC1=S,0
-efsa_533-74-4,CN=C=S,0
-efsa_79241-46-6,CCCCOC(=O)[C@H](Oc1ccc(cc1)Oc1ccc(cn1)C(F)(F)F)C,0
-efsa_79241-46-6,O=c1ccc(c[nH]1)C(F)(F)F,1
-efsa_61-82-5,Nc1ncn[nH]1,1
-efsa_131341-86-1,N#Cc1c[nH]cc1c1cccc2c1OC(O2)(F)F,0
-efsa_131341-86-1,OC(=O)c1cccc2c1OC(O2)(F)F,0
-efsa_131341-86-1,N#CC1=C(C(=O)NC1=O)c1cccc2c1OC(O2)(F)F,0
-efsa_131341-86-1,NC(=O)C(c1cccc2c1OC(O2)(F)F)O,0
-efsa_131341-86-1,N#CC1C(=O)NC(=O)C1c1cccc2c1OC(O2)(F)F,0
-efsa_131341-86-1,N#CC1(OC1(C(=O)N)c1cccc2c1OC(O2)(F)F)C(=O)O,0
-efsa_90-43-7,Oc1ccccc1c1ccccc1,1
-efsa_77-06-5,OC(=O)C1C2C3(C4C51CC(=C)C(C5)(O)CC4)C=CC(C2(C)C(=O)O3)O,0
-efsa_7440-50-8,ClOCl.[Cu+2],1
-efsa_7440-50-8,[O-]S(=O)(=O)[O-].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-],1
-efsa_7440-50-8,[Cu].[Cu].O,0
-efsa_7440-50-8,[O-]S(=O)(=O)[O-].[Cu+2].O.O.O.O.O,0
-efsa_7440-50-8,[O-]c1cccc2c1nccc2.[O-]c1cccc2c1nccc2.[Cu+2],1
-efsa_7440-50-8,[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Cu+2].[Cu+2].[Cu+2].[OH-].[OH-],0
-efsa_7440-50-8,Cl[Cu]Cl,0
-efsa_101463-69-8,O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1F)Oc1ccc(cc1Cl)C(F)(F)F,0
-efsa_101463-69-8,NC(=O)Nc1ccc(cc1F)Oc1ccc(cc1Cl)C(F)(F)F,0
-efsa_101463-69-8,Clc1cc(ccc1Oc1ccc(c(c1)F)N)C(F)(F)F,1
-efsa_2164-17-2,O=C(N(C)C)Nc1cccc(c1)C(F)(F)F,0
-efsa_2164-17-2,CNC(=O)Nc1cccc(c1)C(F)(F)F,0
-efsa_62-73-7,COP(=O)(OC=C(Cl)Cl)OC,1
-efsa_62-73-7,[O-]P(=O)(OC)O,0
-efsa_119446-68-3,CC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Oc1ccc(cc1)Cl,0
-efsa_119446-68-3,Clc1ccc(cc1)Oc1ccc(c(c1)Cl)C(=O)O,0
-efsa_119446-68-3,c1ncn[nH]1,0
-efsa_119446-68-3,Clc1ccc(cc1)Oc1ccc(c(c1)Cl)C(=O)Cn1cncn1,0
-efsa_119446-68-3,Clc1ccc(cc1)Oc1ccc(c(c1)Cl)C(Cn1cncn1)O,0
-efsa_60-51-5,CNC(=O)CSP(=S)(OC)OC,1
-efsa_60-51-5,CNC(=O)CSP(=O)(OC)OC,1
-efsa_83121-18-0,O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(c(c1F)Cl)F,0
-efsa_83121-18-0,Fc1c(N)cc(c(c1Cl)F)Cl,0
-efsa_83121-18-0,NC(=O)Nc1cc(Cl)c(c(c1F)Cl)F,0
-efsa_77182-82-2,[O-]C(=O)C(CCP(=O)(O)C)N.[NH4+],0
-efsa_77182-82-2,CC(=O)NC(C(=O)O)CCP(=O)(O)C,0
-efsa_77182-82-2,OC(=O)CCP(=O)(O)C,0
-efsa_77182-82-2,OC(=O)CP(=O)(O)C,0
-efsa_100784-20-1,COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)c1n(C)nc(c1C(=O)OC)Cl,0
-efsa_100784-20-1,OC(=O)c1c(Cl)nn(c1S(=O)(=O)N)C,0
-efsa_100784-20-1,COc1cc(OC)nc(n1)Cc1n(C)nc(c1C(=O)O)Cl,0
-efsa_112281-77-3,Clc1ccc(c(c1)Cl)C(Cn1cncn1)COC(C(F)F)(F)F,0
-efsa_112281-77-3,OC(=O)C(c1ccc(cc1Cl)Cl)Cn1cncn1,0
-efsa_112281-77-3,OC(=O)Cn1cncn1,0
-efsa_112281-77-3,Clc1ccc(c(c1)Cl)C(Cn1cncn1)COC(C(=O)O)(F)F,0
-efsa_239110-15-7,Clc1cc(cnc1CNC(=O)c1c(Cl)cccc1Cl)C(F)(F)F,1
-efsa_239110-15-7,NC(=O)c1c(Cl)cccc1Cl,0
-efsa_239110-15-7,OC(=O)c1ncc(cc1Cl)C(F)(F)F,0
-efsa_239110-15-7,NC(=O)c1c(Cl)ccc(c1Cl)O,0
-efsa_239110-15-7,CS(=O)c1cc(cnc1C(=O)O)C(F)(F)F,0
-efsa_239110-15-7,OC(=O)c1ccc(cc1S(=O)(=O)O)C(F)(F)F,0
-efsa_239110-15-7,Oc1ncc(cc1S(=O)(=O)C)C(F)(F)F,0
-efsa_335104-84-2,O=C1CCCC(=O)C1C(=O)c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C,0
-efsa_335104-84-2,OC(=O)c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C,0
-efsa_335104-84-2,O=C1C(O)CC(C(=O)C1C(=O)c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C)O,0
-efsa_335104-84-2,OCc1c(Cl)c(ccc1S(=O)(=O)C)C(=O)O,0
-efsa_335104-84-2,O=C1CCCc2c1c(=O)c1c(o2)c(COCC(F)(F)F)c(cc1)S(=O)(=O)C,0
-efsa_907204-31-3,Cn1nc(c(c1)C(=O)Nc1ccccc1c1cc(F)c(c(c1)F)F)C(F)F,0
-efsa_907204-31-3,Cn1nc(c(c1)C(=O)O)C(F)F,0
-efsa_907204-31-3,FC(C1=C(C=N[N]1)C(=O)O)F,0
-efsa_907204-31-3,OC[C@H]1O[C@@H](On2nc(c(c2)C(=O)Nc2ccccc2c2cc(F)c(c(c2)F)F)C(F)F)[C@@H]([C@H]([C@@H]1O)O)O,0
-efsa_79277-27-3,COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccsc1C(=O)OC,0
-efsa_79277-27-3,COc1nc(C)nc(n1)N,0
-efsa_79277-27-3,OC(=O)c1sccc1S(=O)(=O)N,0
-efsa_79277-27-3,COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccsc1C(=O)O,0
-efsa_79277-27-3,NC(=O)Nc1nc(C)nc(n1)C(=O)C,0
-efsa_79277-27-3,O=C1NS(=O)(=O)c2c1scc2,0
-efsa_79277-27-3,Cc1nc(nc(n1)O)NC(=O)NS(=O)(=O)c1ccsc1C(=O)O,0
-efsa_79277-27-3,COC(=O)c1sccc1S(=O)(=O)N,0
-efsa_153719-23-4,[O-][N+](=O)/N=C\1/N(Cc2cnc(s2)Cl)COCN1C,0
-efsa_153719-23-4,[O-][N+](=O)NC(=NC)NCc1cnc(s1)Cl,0
-efsa_153719-23-4,CN1COCN(C1=N)Cc1cnc(s1)Cl,0
-efsa_10605-21-7,Nc1nc2c([nH]1)cccc2,0
-efsa_133-07-3,ClC(SN1C(=O)c2c(C1=O)cccc2)(Cl)Cl,1
-efsa_145701-23-1,COc1ncc(c2n1nc(n2)S(=O)(=O)Nc1c(F)cccc1F)F,0
-efsa_145701-23-1,Fc1cccc(c1NS(=O)(=O)c1nn2c(n1)c(F)cnc2O)F,0
-efsa_145701-23-1,OC(=O)c1n[nH]c(n1)S(=O)(=O)N,0
-efsa_145701-23-1,NS(=O)(=O)c1ncn[nH]1,0
-efsa_82560-54-1,Oc1cccc2c1OC(C2O)(C)C,0
-efsa_116255-48-2,Clc1ccc(c(c1)Cl)C1(C=CCO1)Cn1cncn1,0
-efsa_131860-33-8,N#Cc1ccccc1Oc1ncnc(c1)Oc1ccccc1C(=O)O,0
-efsa_98243-83-5,COC(=O)[C@H](N(c1c(C)cccc1C)C(=O)CC(=O)O)C,0
-efsa_98243-83-5,COC(=O)C(N(c1c(C)cccc1C(=O)O)C(=O)CC(=O)O)C,0
-efsa_98243-83-5,OC(=O)CC(=O)N(c1c(C)cccc1C(=O)O)C(C(=O)O)C,0
-efsa_69327-76-0,CC(N1C(=O)SCN(C1=O)c1ccccc1)C,0
-efsa_69327-76-0,CC(N(C(=O)NC(C)(C)C)C(=O)Nc1ccccc1)C,0
-efsa_69327-76-0,CC(NC(=O)Nc1ccccc1)C,0
-efsa_69327-76-0,CC(N(C(=S)NC(C)(C)C)C(=O)Nc1ccccc1)C,0
-efsa_128639-02-1,OCc1nn(c(=O)n1C(F)F)c1cc(CCC(=O)O)c(cc1F)Cl,0
-efsa_99129-21-2,CCS(=O)C(CC(CC(=O)O)CC(=O)O)C,0
-efsa_99129-21-2,CCS(=O)(=O)C(CC(CC(=O)O)CC(=O)O)C,0
-efsa_736994-63-1,Brc1nn(c(c1)C(=O)N)c1ncccc1Cl,0
-efsa_122008-85-9,C[C@H](C(=O)O)Oc1ccc(cc1)Oc1ccc(cc1F)C(=O)O,0
-efsa_35554-44-0,C=CCOC(c1ccc(cc1Cl)Cl)Cn1cncc1,0
-efsa_81335-37-7,CC(C1(C)N=C(NC1=O)c1nc2ccccc2cc1C(=O)O)C,0
-efsa_138261-41-3,[O-][N+](=O)/N=C/1\NCCN1Cc1ccc(nc1)Cl,0
-efsa_125225-28-7,CC(C1CCC(C1(O)Cn1ncnc1)Cc1ccc(cc1)Cl)C,0
-efsa_143390-89-0,CO/N=C(\c1ccccc1COc1ccccc1C)/C(=O)OC,0
-efsa_143390-89-0,CO/N=C(\c1ccccc1COc1ccccc1CO)/C(=O)O,0
-efsa_143390-89-0,CO/N=C(\c1ccccc1COc1ccc(cc1C)O)/C(=O)O,0
-efsa_143390-89-0,CO/N=C(\c1ccccc1COc1cc(O)ccc1C)/C(=O)O,0
-efsa_,CC(OC(=O)NC(C(=O)NC(c1ccc(cc1)C)C)C(C)C)C,0
-efsa_82558-50-7,CCC(c1noc(c1)NC(=O)c1c(OC)cccc1OC)(CC)C,0
-efsa_,Cc1ccc(cc1)C(N)C,0
-efsa_138261-41-3,[O-][N+](=O)NC1=NCC(N1Cc1ccc(nc1)Cl)O,0
-efsa_138261-41-3,[O-][N+](=O)NC1=NC(CN1Cc1ccc(nc1)Cl)O,0
-efsa_138261-41-3,[O-][N+](=O)Nc1nccn1Cc1ccc(nc1)Cl,0
-efsa_138261-41-3,O=N/N=C/1\NCCN1Cc1ccc(nc1)Cl,0
-efsa_82558-50-7,CCc1noc(c1)NC(=O)c1c(OC)cccc1OC,0
-efsa_82558-50-7,COc1cccc(c1C(=O)N)OC,0
-efsa_2164-08-1,O=c1[nH]c2CCCc2c(=O)n1C1CCCCC1,0
-efsa_7720-78-7,[O-]S(=O)(=O)[O-].[Fe+2],0
-efsa_143390-89-0,CO/N=C(\c1ccccc1COc1ccccc1C)/C(=O)O,0
-efsa_881685-58-1,CC(C1C2CCC1c1c2cccc1NC(=O)c1cn(nc1C(F)F)C)C,0
-efsa_881685-58-1,Cn1nc(c(c1)C(=O)Nc1cccc2c1[C@@H]1CC[C@H]2[C@@H]1C(O)(C)C)C(F)F,0
-efsa_881685-58-1,Cn1nc(c(c1)C(=O)Nc1cccc2c1[C@H]1CC[C@@H]2[C@H]1C(O)(C)C)C(F)F,0
-efsa_121-75-5,CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC,0
-efsa_133-32-4,OC(=O)CCCc1c[nH]c2c1cccc2,0
-efsa_108-62-3,CC1OC(C)OC(OC(O1)C)C,0
-efsa_3060-89-7,CON(C(=O)Nc1ccc(cc1)Br)C,0
-efsa_137641-05-5,Fc1ccc(cc1)NC(=O)c1cccc(n1)Oc1cccc(c1)C(F)(F)F,0
-efsa_34123-59-6,O=C(N(C)C)Nc1ccc(cc1)C(C)C,1
-efsa_1918-02-1,OC(=O)c1nc(Cl)c(c(c1Cl)N)Cl,0
-efsa_95737-68-1,CC(Oc1ccccn1)COc1ccc(cc1)Oc1ccccc1,0
-efsa_52888-80-9,CCCN(C(=O)SCc1ccccc1)CCC,0
-efsa_688046-61-9,COc1c(OC)cc(c(c1OC)C(=O)c1c(OC)ncc(c1C)Cl)C,0
-efsa_688046-61-9,[CH2]OC1C(=C(O)C=C([C]1C(=O)c1c(OC)ncc(c1C)Cl)C)OC,0
-efsa_96489-71-3,O=c1c(Cl)c(SCc2ccc(cc2)C(C)(C)C)cnn1C(C)(C)C,0
-efsa_96489-71-3,OC(=O)C(c1ccc(cc1)CSc1cnn(c(=O)c1Cl)C(C)(C)C)(C)C,0
-efsa_131-72-6,CCCCCCC(c1cc(cc(c1OC(=O)C=CC)[N+](=O)[O-])[N+](=O)[O-])C,0
-efsa_24307-26-4,C[N+]1(C)CCCCC1.[Cl-],0
-efsa_24307-26-4,OC1CC[N+](CC1)(C)C.[Cl-],0
-efsa_23135-22-0,CNC(=O)O/N=C(/C(=O)N(C)C)\SC,0
-efsa_23135-22-0,CN(C(=O)C#N)C,0
-efsa_129630-19-9,CCOC(=O)COc1cc(c(cc1Cl)F)c1nn(c(c1Cl)OC(F)F)C,0
-efsa_16752-77-5,CNC(=O)ON=C(SC)C,0
-efsa_220899-03-6,COc1c(OC)cc(c(c1OC)C(=O)c1c(OC)ccc(c1C)Br)C,0
-efsa_127277-53-6,CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].[Ca+2],0
-efsa_189278-12-4,CCCn1c(OCCC)nc2c(c1=O)cc(cc2)I,0
-efsa_189278-12-4,CCCn1c(OCCC)nc2c(c1=O)cccc2,0
-efsa_53112-28-0,Cc1cc(C)nc(n1)Nc1ccccc1,0
-efsa_53112-28-0,Cc1cc(C)nc(n1)N,0
-efsa_19666-30-9,CC(Oc1cc(c(cc1Cl)Cl)n1nc(oc1=O)C(C)(C)C)C,1
-efsa_2032-65-7,CNC(=O)Oc1cc(C)c(c(c1)C)SC,0
-efsa_8003-34-7,C=CC=CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C)C.C=CC=CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C(=O)OC)C,0
-efsa_41394-05-2,Cc1nnc(c(=O)n1N)c1ccccc1,0
-efsa_41394-05-2,Cc1n[n+]([O-])c(c(=O)n1N)c1ccccc1,1
-efsa_70630-17-0,COCC(=O)N(c1c(C)cccc1C)C(C(=O)OC)C,0
-efsa_374726-62-2,C#CCOC(c1ccc(cc1)Cl)C(=O)NCCc1ccc(c(c1)OC)OCC#C,0
-efsa_374726-62-2,C#CCOC(c1ccc(cc1)Cl)C(=O)NCCC(=O)O,0
-efsa_103055-07-8,O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(cc1Cl)OC(C(C(F)(F)F)F)(F)F,0
-efsa_103055-07-8,FC(C(Oc1cc(Cl)c(cc1Cl)N)(F)F)C(F)(F)F,0
-efsa_139528-85-1,COc1cc(OC)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,0
-efsa_139528-85-1,NC1=NN=C([N]1)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,0
-efsa_139528-85-1,COc1cc(O)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,0
-efsa_139528-85-1,Oc1cc(O)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,0
-efsa_139968-49-3,N#Cc1ccc(cc1)CC(=NNC(=O)Nc1ccc(cc1)OC(F)(F)F)c1cccc(c1)C(F)(F)F,0
-efsa_139968-49-3,N#Cc1ccc(cc1)C1(O)N(C(=O)NN=C1c1cccc(c1)C(F)(F)F)c1ccc(cc1)OC(F)(F)C,0
-efsa_139968-49-3,OC(=O)c1cccc(c1)C(F)(F)F,0
-efsa_139968-49-3,N#Cc1ccc(cc1)CC(=O)c1cccc(c1)C(F)(F)F,0
-efsa_139968-49-3,N#Cc1ccc(cc1)C(=O)O,0
-efsa_422556-08-9,COc1cc(OC)n2c(n1)nc(n2)NS(=O)(=O)c1c(OC)nccc1C(F)(F)F,0
-efsa_422556-08-9,COc1nc2nc(nn2c(c1Cl)O)NS(=O)(=O)c1c(OC)nccc1C(F)(F)F,0
-efsa_422556-08-9,COc1nccc(c1S(=O)(=O)O)C(F)(F)F,0
-efsa_422556-08-9,COc1nccc(c1S(=O)(=O)N)C(F)(F)F,0
-efsa_178928-70-6,Clc1ccccc1CC(C1(Cl)CC1)(Cn1[nH]cnc1=S)O,0
-efsa_178928-70-6,Clc1ccccc1CC(C1(Cl)CC1)(Cn1nccc1S(=O)(=O)O)O,0
-efsa_178928-70-6,Clc1ccccc1CC(C1(Cl)CC1)(Cn1nc[nH]c1=O)O,0
-efsa_178928-70-6,Clc1ccccc1C(C(C1(Cl)CC1)(Cn1cncn1)O)O,0
-efsa_178928-70-6,CC(=O)OC(C(C1(Cl)CC1)(Cn1cncn1)O)c1ccccc1Cl,0
-efsa_178928-70-6,OCC(C1(Cl)CC1)(Cc1ccccc1Cl)O,0
-efsa_219714-96-2,COc1ncc(c2n1nc(n2)NS(=O)(=O)c1c(cccc1C(F)(F)F)OCC(F)F)OC,0
-efsa_219714-96-2,COc1cnc(n2c1nc(n2)NS(=O)(=O)c1c(cccc1C(F)(F)F)OCC(F)F)O,0
-efsa_219714-96-2,FC(COc1cccc(c1S(=O)(=O)Nc1nnc([nH]1)C(=O)O)C(F)(F)F)F,0
-efsa_219714-96-2,FC(COc1cccc(c1S(=O)(=O)NC1=NN=C[N]1)C(F)(F)F)F,0
-efsa_55512-33-9,CCCCCCCCSC(=O)Oc1cc(Cl)nnc1c1ccccc1,0
-efsa_55512-33-9,Clc1nnc(c(c1)O)c1ccccc1,0
-efsa_55512-33-9,COc1cc(Cl)nnc1c1ccccc1,0
-efsa_94125-34-5,COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1CCC(F)(F)F,0
-efsa_94125-34-5,NC(=N)NC(=O)NS(=O)(=O)c1ccccc1CCC(F)(F)F,0
-efsa_94125-34-5,FC(CCc1ccccc1S(=O)(=O)N)(F)F,0
-efsa_179101-81-6,ClC(=CCOc1cc(Cl)c(c(c1)Cl)OCCCOc1cccc(n1)C(F)(F)F)Cl,0
-efsa_179101-81-6,O=c1[nH]cc(cc1O)C(F)(F)F,1
-efsa_19044-88-3,CCCN(c1c(cc(cc1[N+](=O)[O-])S(=O)(=O)N)[N+](=O)[O-])CCC,0
-efsa_91465-08-6,N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H]1[C@@H](C1(C)C)/C=C(/C(F)(F)F)\Cl,0
-efsa_91465-08-6,Cl/C(=C\[C@H]1[C@H](C1(C)C)C(=O)O)/C(F)(F)F,0
-efsa_91465-08-6,Cl/C(=C\[C@@H]1[C@@H](C1(C)C)C(=O)O)/C(F)(F)F,0
-efsa_91465-08-6,NC(=O)C(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl,0
-efsa_91465-08-6,N#CC(c1cccc(c1)Oc1ccccc1)O,0
-efsa_91465-08-6,OCc1cccc(c1)Oc1ccccc1,0
-efsa_91465-08-6,OC(=O)C(c1cccc(c1)Oc1ccccc1)O,0
-efsa_123312-89-0,CC1=NNC(=O)N(C1)N=Cc1cccnc1,0
-efsa_123312-89-0,CC1=NNC(=O)N(C1)N,0
-efsa_123312-89-0,O=Cc1cccnc1,0
-efsa_111479-05-1,O=C([C@H](Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C)OCCO/N=C(\C)/C,0
-efsa_25606-41-1,CCCOC(=O)NCCC[NH+](C)C.[Cl-],0
-efsa_21087-64-9,CSc1nnc(c(=O)n1N)C(C)(C)C,0
-efsa_21087-64-9,O=c1[nH]c(=O)[nH]nc1C(C)(C)C,0
-efsa_55219-65-3,NC(C(=O)O)Cc1ncn[nH]1,0
-efsa_67747-09-5,CCCN(C(=O)n1cncc1)CCOc1c(Cl)cc(cc1Cl)Cl,0
-efsa_67747-09-5,CCCN(C(=O)N)CCOc1c(Cl)cc(cc1Cl)Cl,0
-efsa_67747-09-5,CCCN(C(=O)NC=O)CCOc1c(Cl)cc(cc1Cl)Cl,0
-efsa_23103-98-2,CN(C(=O)Oc1nc(nc(c1C)C)N(C)C)C,0
-efsa_23103-98-2,CNc1nc(C)c(c(n1)O)C,0
-efsa_23103-98-2,CN(c1nc(C)c(c(n1)O)C)C,0
-efsa_29232-93-7,CCN(c1nc(cc(n1)C)OP(=S)(OC)OC)CC,1
-efsa_141112-29-0,O=C(c1ccc(cc1S(=O)(=O)C)C(F)(F)F)c1cnoc1C1CC1,0
-efsa_141112-29-0,N#CC(C(=O)c1ccc(cc1S(=O)(=O)C)C(F)(F)F)C(=O)C1CC1,0
-efsa_141112-29-0,OC(=O)c1ccc(cc1S(=O)(=O)C)C(F)(F)F,0
-efsa_243973-20-8,CCc1cc(C)cc(c1c1c(OC(=O)C(C)(C)C)n2n(c1=O)CCOCC2)CC,0
-efsa_243973-20-8,CCc1cc(C)cc(c1C1(O)C(=O)N2N(C1=O)CCOCC2)CC,0
-efsa_243973-20-8,CCc1cc(cc(c1c1c(O)n2n(c1=O)CCOCC2)CC)C(=O)O,0
-efsa_243973-20-8,CCc1cc(CO)cc(c1C1(O)C(=O)N2N(C1=O)CCOCC2)CC,0
-efsa_66063-05-6,Clc1ccc(cc1)CN(C(=O)Nc1ccccc1)C1CCCC1,0
-efsa_66063-05-6,Clc1ccc(cc1)CNC1CCCC1,0
-efsa_2310-17-0,CCOP(=S)(SCn1c(=O)oc2c1ccc(c2)Cl)OCC,0
-efsa_2310-17-0,Clc1ccc2c(c1)oc1-c(n2)cc(c(=O)c1)N,1
-efsa_494793-67-8,CC(CC(c1ccccc1NC(=O)c1c(C)nn(c1F)C)C)C,0
-efsa_494793-67-8,CC(c1ccccc1NC(=O)c1c(C)nn(c1F)C)CC(O)(C)C,0
-efsa_494793-67-8,O=C(c1c(C)nn(c1F)C)Nc1ccccc1C(=O)C,0
-efsa_42874-03-3,CCOc1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)C(F)(F)F,1
-efsa_76738-62-0,OC(C(C)(C)C)C(n1ncnc1)Cc1ccc(cc1)Cl,0
-efsa_76738-62-0,OC(C(=O)O)Cn1cncn1,0
-efsa_213464-77-8,COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)Nc1ccccc1C(=O)N(C)C,0
-efsa_213464-77-8,O=C(c1ccccc1NS(=O)(=O)O)N(C)C,0
-efsa_213464-77-8,COc1nc(NC(=O)N)nc(c1)OC,0
-efsa_213464-77-8,COc1nc(NC(=O)NOS(=O)Nc2ccccc2C(=O)N(C)C)nc(c1)O,0
-efsa_732-11-6,COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC,1
-efsa_,[O-]P([O-])[O-].[K+].[K+].[K+],0
-efsa_39148-24-8,[O-][P+](=O)OCC.[O-][P+](=O)OCC.[O-][P+](=O)OCC.[Al+3],0
-efsa_39148-24-8,OP(O)O,0
-efsa_301-12-2,CCS(=O)CCSP(=O)(OC)OC,1
-efsa_88671-89-0,CCCCC(c1ccc(cc1)Cl)(Cn1cncn1)C#N,0
-efsa_88671-89-0,N#CC(c1ccc(cc1)Cl)(Cn1cncn1)CC(=O)O,0
-efsa_67129-08-2,ClCC(=O)N(c1c(C)cccc1C)Cn1cccn1,0
-efsa_67129-08-2,NC(=O)C(=O)N(c1c(C)cccc1C)Cn1cccn1,0
-efsa_67129-08-2,O=C(N(c1c(C)cccc1C)Cn1cccn1)CS(=O)(=O)O,0
-efsa_67129-08-2,[Na]OS(=O)(=O)CC(=O)N(c1c(C)cccc1C)Cn1cccn1,0
-efsa_67129-08-2,O=S(CC(=O)N(c1c(C)cccc1C)Cn1cccn1)CC(=O)O,0
-efsa_67129-08-2,CS(=O)CC(=O)N(c1c(C)cccc1C)Cn1cccn1,0
-efsa_67129-08-2,OC(=O)C(=O)N(c1c(C)cccc1C(=O)O)Cn1cccn1,0
-efsa_67129-08-2,O=S(CC(C(=O)O)O)CC(=O)N(c1c(C)cccc1C)Cn1cccn1,0
-efsa_66246-88-6,CCCC(c1ccc(cc1Cl)Cl)Cn1cncn1,0
-efsa_125116-23-6,OC1(Cn2ncnc2)C(CCC1(C)C)Cc1ccc(cc1)Cl,0
-efsa_104206-82-8,O=C1CCCC(=O)C1C(=O)c1ccc(cc1[N+](=O)[O-])S(=O)(=O)C,1
-efsa_104206-82-8,O=N(=O)c1cc(ccc1C(=O)O)S(=O)(=O)C,0
-efsa_104206-82-8,OC(=O)c1ccc(cc1N)S(=O)(=O)C,0
-efsa_137-42-8,[S-]C(=S)NC.[Na+],1
-efsa_137-42-8,CN=C=O,0
-efsa_15299-99-7,CCN(C(=O)C(Oc1cccc2c1cccc2)C)CC,0
-efsa_15299-99-7,OC(=O)C(Oc1cccc2c1cccc2)C,0
-efsa_,CC1=CC[C@@H](CC1)C(=C)C,0
-efsa_15299-99-7,O=C1C=C(O)c2c(C1=O)cccc2,0
-efsa_34123-59-6,CNC(=O)Nc1ccc(cc1)C(C)C,0
-efsa_74223-64-6,COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC,0
-efsa_74223-64-6,COC(=O)c1ccccc1S(=O)(=O)NC(=O)N,0
-efsa_74223-64-6,COC(=O)c1ccccc1S(=O)(=O)N,0
-efsa_111991-09-4,COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C,0
-efsa_111991-09-4,CN(C(=O)c1cccnc1S(=O)(=O)N)C,0
-efsa_111991-09-4,NC(=N)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C,0
-efsa_111991-09-4,O=C(NS(=O)(=O)c1ncccc1C(=O)N(C)C)NC(=O)N,0
-efsa_111991-09-4,CNC(=O)c1cccnc1S(=O)(=O)N,0
-efsa_111991-09-4,COc1nc(nc(c1)O)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C,0
-efsa_70630-17-0,COCC(=O)N(c1c(C)cccc1C(=O)O)C(C(=O)O)C,0
-efsa_70630-17-0,COCC(=O)N(c1c(C)cccc1C)C(C(=O)O)C,0
-efsa_70630-17-0,COCC(=O)Nc1c(C)cccc1C,0
-efsa_5915-41-3,CCNc1nc(Cl)nc(n1)NC(C)(C)C,0
-efsa_5915-41-3,Nc1nc(nc(n1)O)NC(C)(C)C,0
-efsa_5915-41-3,CCNc1nc(O)nc(n1)NC(C)(C)C,0
-efsa_5915-41-3,Nc1nc(N)nc(n1)Cl,0
-efsa_5915-41-3,Nc1nc(nc(n1)Cl)NC(C)(C)C,0
-efsa_5915-41-3,Oc1nc2NC(C(n2c(=O)n1)O)(C)C,0
-efsa_5915-41-3,CC(Nc1nc(O)nc(n1)O)(C)C,0
-efsa_5915-41-3,Cn1c(O)nc(nc1=O)NC(C)(C)C,0
-efsa_121-75-5,CCOC(=O)CC(C(=O)O)SP(=S)(OC)OC,0
-efsa_121-75-5,COP(=S)(SC(C(=O)O)CC(=O)O)OC,0
-efsa_121-75-5,CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)O,0
-efsa_70630-17-0,Cc1cccc(c1N)C,0
-efsa_3060-89-7,CNC(=O)Nc1ccc(cc1)Br,0
-efsa_3060-89-7,NC(=O)Nc1ccc(cc1)Br,0
-efsa_3060-89-7,CONC(=O)Nc1ccc(cc1)Br,0
-efsa_15299-99-7,Oc1cccc2c1cccc2,0
-efsa_213464-77-8,COc1cc(O)nc(n1)NC(=O)N,0
-efsa_34123-59-6,OCC(c1ccc(cc1)NC(=O)N(C)C)C,0
-efsa_34123-59-6,O=C(N(C)C)Nc1ccc(cc1)C(O)(C)C,0
-efsa_34123-59-6,CC(c1ccc(cc1)NC(=O)N)C,0
-efsa_34123-59-6,CC(c1ccc(cc1)NC(=O)N(C)C)C(=O)O,0
-efsa_16672-87-0,ClCCP(=O)(O)O,0
-efsa_16672-87-0,OCCP(=O)(O)O,0
-efsa_21293-29-8,OC(=O)/C=C(\C=C\[C@@]1(O)C(=CC(=O)CC1(C)C)C)/C,0
-efsa_7681-52-9,[O-]Cl.[Na+],1
-efsa_2699-79-8,FS(=O)(=O)F,0
-efsa_99105-77-8,O=C1CCCC(=O)C1C(=O)c1ccc(cc1Cl)S(=O)(=O)C,1
-efsa_99105-77-8,OC(=O)c1ccc(cc1Cl)S(=O)(=O)C,0
-efsa_141776-32-1,COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1n2ccccc2nc1S(=O)(=O)CC,0
-efsa_141776-32-1,CCS(=O)(=O)c1nc2n(c1S(=O)(=O)NC(=O)NC(=N)N)cccc2,0
-efsa_141776-32-1,CCS(=O)(=O)c1nc2n(c1S(=O)(=O)NC(=O)NC(=O)N)cccc2,0
-efsa_107534-96-3,Clc1ccc(cc1)CCC(C(C)(C)C)(Cn1cncn1)O,0
-efsa_119168-77-3,CCc1nn(c(c1Cl)C(=O)NCc1ccc(cc1)C(C)(C)C)C,0
-efsa_119168-77-3,CCc1nn(c(c1Cl)C(=O)Nc1ccc(cc1)C(C(=O)O)(C)C)C,0
-efsa_119168-77-3,CCc1nn(c(c1Cl)C(=O)N)C,0
-efsa_148-79-8,c1scc(n1)c1nc2c([nH]1)cccc2,0
-efsa_89-83-8,Cc1ccc(c(c1)O)C(C)C,0
-efsa_57018-04-9,COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC,0
-efsa_210631-68-8,Cc1c(ccc(c1C1=NOCC1)S(=O)(=O)C)C(=O)c1c[nH]n(c1=O)C,1
-efsa_210631-68-8,OC(=O)c1ccc(c(c1C)C1=NOCC1)S(=O)(=O)C,0
-efsa_72459-58-6,Clc1ccc2c(c1)[n+]([O-])nc(n2)n1cncc1,0
-efsa_101200-48-0,COc1nc(C)nc(n1)N(C(=O)NS(=O)(=O)c1ccccc1C(=O)OC)C,0
-efsa_52-68-6,COP(=O)(C(C(Cl)(Cl)Cl)O)OC,0
-efsa_55335-06-3,OC(=O)COc1nc(Cl)c(cc1Cl)Cl,0
-efsa_55335-06-3,CCCCOCCOC(=O)COc1nc(Cl)c(cc1Cl)Cl,0
-efsa_99387-89-0,CCCOCC(=Nc1ccc(cc1C(F)(F)F)Cl)n1cncc1,0
-efsa_95266-40-3,CCOC(=O)C1CC(=O)C(=C(C2CC2)O)C(=O)C1,0
-efsa_95266-40-3,OC(=O)C(CC(=O)O)CC(=O)O,0
-efsa_95266-40-3,O=C(/C=C(/C1CC1)\O)CC(C(=O)O)CC(=O)O,0
-efsa_95266-40-3,O=C(c1c(O)cc(cc1O)C(=O)O)C1CC1,0
-efsa_131983-72-7,OC1(Cn2ncnc2)C(=Cc2ccc(cc2)Cl)CCC1(C)C,0
-efsa_131983-72-7,O[C@@H](C1/C(=C/c2ccc(cc2)Cl)/[C@@H](CC1(C)C)O)Cn1cncn1,0
-efsa_131983-72-7,OC1(Cn2ncnc2)/C(=C/c2ccc(cc2)Cl)/CCC1(C)C,0
-efsa_283159-90-0,COC(=O)CC(c1ccc(cc1)Cl)NC(=O)[C@H](C(C)C)NC(=O)OC(C)C,0
-efsa_283159-90-0,OC(=O)CC(c1ccc(cc1)Cl)NC(=O)[C@H](C(C)C)NC(=O)OC(C)C,0
-efsa_1582-09-8,CCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CCC,0
-efsa_130561-48-7,COCCOc1cccc2c1c(=O)c(nn2c1ccc(cc1)Cl)C(=O)O,0
-efsa_130561-48-7,OCCOc1cccc2c1c(=O)c(nn2c1ccc(cc1)Cl)C(=O)O,0
-efsa_82097-50-5,ClCCOc1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(n1)OC,0
-efsa_82097-50-5,COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)O,0
-efsa_87820-88-0,CCONC(=C1C(=O)CC(CC1=O)c1c(C)cc(cc1C)C)CC,0
-efsa_122931-48-0,COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1ncccc1S(=O)(=O)CC,0
-efsa_122931-48-0,CCS(=O)(=O)c1cccnc1S(=O)(=O)N,0
-efsa_122931-48-0,COc1cc(OC)nc(n1)N(c1ncccc1S(=O)(=O)CC)C(=O)N,0
-efsa_935545-74-7,CCO[C@H]1[C@@H](OC)[C@H](OC2C[C@@H]3[C@@H](C2)[C@@H]2C=C4C([C@@H]2CC3)CC(=O)O[C@@H](CC)CCC[C@@H]([C@H](C4=O)C)O[C@H]2CC[C@@H]([C@H](O2)C)N(C)C)O[C@H]([C@@H]1OC)C,0
-efsa_935545-74-7,CCO[C@H]1[C@@H](OC)[C@H](O[C@@H]2C[C@@H]3[C@@H](C2)[C@@H]2C=C4[C@H]([C@@H]2CC3)CC(=O)O[C@@H](CC)CCC[C@@H]([C@H](C4=O)C)OC2CC[C@@H]([C@H](O2)C)NC)O[C@H]([C@@H]1OC)C,0
-efsa_935545-74-7,O=CN[C@H]1CC[C@@H](O[C@@H]1C)OC1CCC[C@H](CC)OC(=O)C[C@@H]2C(=C[C@@H]3[C@H]2CC[C@H]2[C@H]3C[C@@H](C2)OC2O[C@@H](C)[C@@H]([C@H]([C@H]2OC)OCC)OC)C(=O)[C@@H]1C,0
-efsa_935545-74-7,O=CN[C@H]1CC[C@@H](O[C@@H]1C)OC1CCC[C@H](CC)OC(=O)C[C@@H]2C(=C[C@@H]3[C@H]2C=C([C@H]2[C@H]3C[C@@H](C2)OC2O[C@@H](C)[C@@H]([C@H]([C@H]2OC)OCC)OC)C)C(=O)[C@@H]1C,0
-efsa_2797-51-5,NC1=C(Cl)C(=O)c2c(C1=O)cccc2,0
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-efsa_2303-17-5,ClC(=C(Cl)Cl)CS(=O)(=O)O,0
-efsa_317815-83-1,COC(=O)c1csc(c1S(=O)(=O)NC(=O)n1nc(n(c1=O)C)OC)C,0
-efsa_317815-83-1,COc1nn(c(=O)n1C)C(=O)NS(=O)(=O)c1c(C)scc1C(=O)O,0
-efsa_317815-83-1,COC(=O)c1csc(c1S(=O)(=O)N)C,0
-efsa_317815-83-1,COC(=O)c1csc(c1S(=O)(=O)NC(=O)n1nc([nH]c1=O)OC)C,0
-efsa_64628-44-0,O=C(NC(=O)c1ccccc1Cl)Nc1ccc(cc1)OC(F)(F)F,0
-efsa_64628-44-0,FC(Oc1ccc(cc1)N)(F)F,0
-efsa_131807-57-3,O=C1OC(C(=O)N1Nc1ccccc1)(C)c1ccc(cc1)Oc1ccccc1,0
-efsa_100646-51-3,CCOC(=O)[C@H](Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C,0
-efsa_119738-06-6,Clc1ccc2c(c1)ncc(n2)Oc1ccc(cc1)OC(C(=O)OCC1CCCO1)C,0
-efsa_173159-57-4,O=CNc1ccc(c(c1)S(=O)(=O)NC(=O)Nc1nc(OC)cc(n1)OC)C(=O)N(C)C,0
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-efsa_102851-06-9,Nc1ccc(cc1Cl)C(F)(F)F,0
-efsa_102851-06-9,CC(C(C(=O)O)Nc1ccc(cc1Cl)C(F)(F)F)C,0
-efsa_102851-06-9,N#CC(C(C(C)C)Nc1ccc(cc1Cl)C(F)(F)F)c1cccc(c1)Oc1ccccc1,0
-efsa_67233-85-6,COc1ccc(cc1[O-])[N+](=O)[O-].[Na+],0
-efsa_824-39-5,[O-][N+](=O)c1ccccc1[O-].[Na+],0
-efsa_824-78-2,[O-]c1ccc(cc1)[N+](=O)[O-].[Na+],0
-efsa_148477-71-8,CCC(C(=O)OC1=C(C(=O)OC21CCCCC2)c1cc(Cl)cc(c1)Cl)(C)C,0
-efsa_731-27-1,OC[C@H]1O[C@@H](OCc2ccc(cc2)NS(=O)(=O)N(C)C)C[C@@H]([C@@H]([C@@H]1O)O)O,0
-efsa_731-27-1,Cc1ccc(cc1)N(S(=O)(=O)N(C)C)SC(Cl)(Cl)F,0
-efsa_731-27-1,OCc1ccc(cc1)NS(=O)(=O)N(C)C,0
-efsa_731-27-1,OCC1OC(Oc2cc(C)ccc2NS(=O)(=O)N(C)C)C(C(C1O)O)O,0
-efsa_731-27-1,Cc1ccc(c(c1)O)NS(=O)(=O)N(C)C,0
-efsa_283594-90-1,O=C(CC(C)(C)C)OC1=C(C(=O)OC21CCCC2)c1c(C)cc(cc1C)C,0
-efsa_118134-30-8,CCCN(CC1COC2(O1)CCC(CC2)C(C)(C)C)CC,0
-efsa_118134-30-8,CCC[N+](CC1COC2(O1)CCC(CC2)C(C)(C)C)(CC)[O-],0
-efsa_126833-17-8,O=C(C1(C)CCCCC1)Nc1ccc(c(c1Cl)Cl)O,0
-efsa_203313-25-1,CCOC(=O)OC1=C(C(=O)NC21CCC(CC2)OC)c1cc(C)ccc1C,0
-efsa_203313-25-1,COC1CCC2(CC1)NC(=O)C(C2=O)(O)c1cc(C)ccc1C,0
-efsa_203313-25-1,OC1CCC2(CC1)NC(=O)C(C2=O)(O)c1cc(C)ccc1C,0
-efsa_203313-25-1,OC1CCC2(CC1)NC(=O)C(C2O)(O)c1cc(C)ccc1C,0
-efsa_203313-25-1,COC1CCC2(CC1)NC(=O)C(C2O)c1cc(C)ccc1C,0
-efsa_79622-59-6,Clc1cc(cnc1Nc1c(cc(c(c1[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,0
-efsa_79622-59-6,Clc1cc(cnc1Nc1c(cc(c(c1[N+](=O)[O-])O)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,1
-efsa_79622-59-6,Clc1cc(cnc1Nc1c(cc(c(c1N)Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,0
-efsa_161326-34-7,CSC1=NC(C(=O)N1Nc1ccccc1)(C)c1ccccc1,0
-efsa_161326-34-7,O=C1NC(=O)N[C@@]1(C)c1ccccc1,0
-efsa_161326-34-7,O=C1N[C@@](C(=O)N1Nc1ccccc1)(C)c1ccccc1,0
-efsa_161326-34-7,CSC1=N[C@@](C(=O)N1)(C)c1ccccc1,0
-efsa_72490-01-8,CCOC(=O)NCCOc1ccc(cc1)Oc1ccccc1,0
-efsa_22224-92-6,CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C,0
-efsa_13356-08-6,CC(c1ccccc1)(C[Sn](O[Sn](CC(c1ccccc1)(C)C)(CC(c1ccccc1)(C)C)CC(c1ccccc1)(C)C)(CC(c1ccccc1)(C)C)CC(c1ccccc1)(C)C)C,0
-efsa_122-14-5,COP(=S)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,1
-efsa_67564-91-4,CC(Cc1ccc(cc1)C(C)(C)C)CN1C[C@H](C)O[C@@H](C1)C,0
-efsa_272451-65-7,O=C(c1cccc(c1C(=O)NC(CS(=O)(=O)C)(C)C)I)Nc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)F,0
-efsa_272451-65-7,O=C(c1ccccc1C(=O)Nc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)F)NC(CS(=O)(=O)C)(C)C,0
-efsa_272451-65-7,O=C(c1cccc(c1C(=O)NC(CS(=O)(=O)C)(C)C)O)Nc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)F,0
-efsa_158062-67-0,N#CCNC(=O)c1cnccc1C(F)(F)F,0
-efsa_158062-67-0,OC(=O)c1cnccc1C(F)(F)F,0
-efsa_158062-67-0,NC(=O)c1cnccc1C(F)(F)F,0
-efsa_158062-67-0,O=C(c1cnccc1C(F)(F)F)NCC(=O)O,0
-efsa_158062-67-0,O=C(c1cnccc1C(F)(F)F)NCC(=O)N,0
-efsa_158062-67-0,Oc1ncc(c(c1)C(F)(F)F)C(=O)O,0
-efsa_361377-29-9,CO/N=C(\c1ccccc1Oc1ncnc(c1F)Oc1ccccc1Cl)/C1=NOCCO1,0
-efsa_361377-29-9,CO/N=C(\c1ccccc1Oc1ncnc(c1F)O)/C1=NOCCO1,0
-efsa_67306-00-7,CC(Cc1ccc(cc1)C(C)(C)C)CN1CCCCC1,0
-efsa_67306-00-7,CC(C[N+]1([O-])CCCCC1)Cc1ccc(cc1)C(C)(C)C,0
-efsa_136426-54-5,Clc1ccc(c(c1)Cl)n1c(nc2c(c1=O)cc(cc2)F)n1cncn1,0
-efsa_136426-54-5,Clc1ccc(c(c1)Cl)n1c(=O)[nH]c2c(c1=O)cc(cc2)F,0
-efsa_103361-09-7,C#CCN1C(=O)COc2c1cc(c(c2)F)N1C(=O)C2=C(C1=O)CCCC2,0
-efsa_90717-03-6,Cc1cnc2c(c1)ccc(c2C(=O)O)Cl,0
-efsa_90717-03-6,OC(=O)c1c(Cl)ccc2c1nc(O)c(c2)C,0
-efsa_90717-03-6,OC(=O)c1cnc2c(c1)ccc(c2C(=O)O)Cl,1
-efsa_946578-00-3,N#CN=S(=O)(C(c1ccc(nc1)C(F)(F)F)C)C,0
-efsa_946578-00-3,NC(=O)N=S(=O)(C(c1ccc(nc1)C(F)(F)F)C)C,0
-efsa_946578-00-3,CC(c1ccc(nc1)C(F)(F)F)O,0
-efsa_946578-00-3,CCc1ccc(nc1)C(F)(F)F,0
-efsa_946578-00-3,CC(S(=O)(=N)C)c1ccc(nc1)C(F)(F)F,0
-efsa_946578-00-3,CC(S(=O)(=O)C)c1ccc(nc1)C(F)(F)F,0
-efsa_61213-25-0,ClCC1CN(C(=O)C1Cl)c1cccc(c1)C(F)(F)F,0
-efsa_23422-53-9,CNC(=O)Oc1cccc(c1)N=CN(C)C.Cl,0
-efsa_3878-19-1,c1coc(c1)c1nc2c([nH]1)cccc2,0
-efsa_71283-80-2,CCOC(=O)[C@H](Oc1ccc(cc1)Oc1nc2c(o1)cc(cc2)Cl)C,0
-efsa_71283-80-2,CCOC(=O)C(Oc1ccc(cc1)Oc1nc2c(o1)cc(cc2)Cl)C,0
-efsa_81406-37-3,CCCCCCC(OC(=O)COc1nc(F)c(c(c1Cl)N)Cl)C,0
-efsa_10045-86-0,[O-]P(=O)([O-])[O-].[Fe+3],0
-efsa_874967-67-6,Cn1nc(c(c1)C(=O)Nc1ccccc1C1CC1C1CC1)C(F)F,0
-efsa_66332-96-5,CC(Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F)C,0
-efsa_658066-35-4,Clc1cc(cnc1CCNC(=O)c1ccccc1C(F)(F)F)C(F)(F)F,0
-efsa_78587-05-0,C[C@@H]1N(C(=O)NC2CCCCC2)C(=O)S[C@H]1c1ccc(cc1)Cl,0
-efsa_78587-05-0,C[C@@H]1N(C(=O)N)C(=O)S[C@H]1c1ccc(cc1)Cl,0
-efsa_78587-05-0,O=C1CCCC(C1)NC(=O)N1C(=O)SC(C1C)c1ccc(cc1)Cl,0
-efsa_78587-05-0,O[C@H]1CCCC[C@@H]1NC(=O)N1C(=O)S[C@H]([C@@H]1C)c1ccc(cc1)Cl,0
-efsa_78587-05-0,O[C@@H]1CC[C@H](CC1)NC(=O)N1C(=O)S[C@@H]([C@H]1C)c1ccc(cc1)Cl,0
-efsa_78587-05-0,OC1CCCC(C1)NC(=O)N1C(=O)SC(C1C)c1ccc(cc1)Cl,0
-efsa_78587-05-0,C[C@@H]1NC(=O)S[C@H]1c1ccc(cc1)Cl,0
-efsa_78587-05-0,O[C@@H]1CC[C@@H](CC1)NC(=O)N1C(=O)S[C@H]([C@@H]1C)c1ccc(cc1)Cl,0
-efsa_78587-05-0,O=C1CCC(CC1)NC(=O)N1C(=O)S[C@@H]([C@H]1C)c1ccc(cc1)Cl,0
-efsa_114369-43-6,N#CC(c1ccccc1)(Cn1cncn1)CCc1ccc(cc1)Cl,0
-efsa_114369-43-6,Clc1ccc(cc1)[C@H]1OC(=O)[C@@](C1)(Cn1cncn1)c1ccccc1,0
-efsa_114369-43-6,Clc1ccc(cc1)[C@@H]1OC(=O)[C@@](C1)(Cn1cncn1)c1ccccc1,0
-efsa_144740-54-5,COc1nc(nc(c1)OC)[N-]C(=O)NS(=O)(=O)c1nc(ccc1C(=O)OC)C(F)(F)F.[Na+],0
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diff --git a/data/efsa.id b/data/efsa.id
index 32ba69f..a4b6fd9 100644
--- a/data/efsa.id
+++ b/data/efsa.id
@@ -1 +1 @@
-5bb8b050ca62690340cde38d
+5be05da5ca62690dd12e65c4
diff --git a/data/hansen.csv b/data/hansen.csv
index f69ea50..3714e6a 100644
--- a/data/hansen.csv
+++ b/data/hansen.csv
@@ -1,6513 +1,6513 @@
 ID,SMILES,Mutagenicity
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-hansen_518-34-3,COc1cc2Oc3c4c(CCN([C@H]4Cc4ccc(c(c4)Oc4ccc(C[C@H]5c2c(c1)CCN5C)cc4)OC)C)cc(c3OC)OC,1
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-hansen_NOCAS_M498,Cl[C@@H]1[C@H](Cl)[C@H](Cl)[C@H]([C@H]([C@H]1Cl)Cl)Cl,0
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-hansen_1719-53-5,CC[Si](CC)(Cl)Cl,0
-hansen_1024-41-5,Cc1ccc(cc1)S(=O)(=O)OCc1ccccc1,0
-hansen_497-56-3,[O-][N+](=O)c1cc(O)c(c(c1)[N+](=O)[O-])C,0
-hansen_5003-48-5,CC(=O)Nc1ccc(cc1)OC(=O)c1ccccc1OC(=O)C,0
-hansen_1165-39-5,COc1cc2OC3C(c2c2c1c1CCOC(=O)c1c(=O)o2)C=CO3,1
-hansen_118517-21-8,CC(CCCC(C1CCC2C1(C)CCC1C2CC2C3(C1(C)CCC(C3)Cl)N2N1C(=O)c2c(C1=O)cccc2)C)C,0
-hansen_111017-06-2,O=CN1CCc2c3c1cc1ccccc1c3c(c(c2)OC)OC,1
-hansen_286-99-7,C1CCCCCC2C(CCCC1)O2,0
-hansen_50438-75-0,OCCc1ccc(cc1)N(C)C,1
-hansen_101489-26-3,Oc1c2c(OC3C2CCO3)cc2c1c(=O)c1c(o2)cccc1O,0
-hansen_155798-37-1,ClCCN(c1ccc(cc1)OCCCCCNc1c2ccccc2nc2c1cccc2)CC,1
-hansen_17526-33-9,CC(=O)OCc1c2ccccc2cc2c1c1ccccc1cc2,1
-hansen_59-00-7,OC(=O)c1cc(O)c2c(n1)c(O)ccc2,0
-hansen_872-50-4,O=C1CCCN1C,0
-hansen_573-56-8,Oc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],0
-hansen_75-86-5,N#CC(O)(C)C,0
-hansen_NOCAS_M481,CC(C[C@H](N)C)C,0
-hansen_51-45-6,NCCc1c[nH]cn1,0
-hansen_1596-84-5,CN(NC(=O)CCC(=O)O)C,0
-hansen_575-44-0,Oc1ccc2c(c1)cccc2O,1
-hansen_314-13-6,Cc1cc(ccc1N=Nc1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)N=Nc1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O,1
-hansen_151751-83-6,O=CCCN(C(=O)OCC)N=O,1
-hansen_27762-78-3,CCOC(C(=O)C(O)O)C,1
-hansen_25584-83-2,CC(COC(=O)C=C)O,0
-hansen_87436-71-3,OC1C=Cc2c(C1O)cc1c(c2Br)ccc2c1cccc2,0
-hansen_93-45-8,Oc1ccc(cc1)Nc1ccc2c(c1)cccc2,0
-hansen_6358-53-8,COc1ccc(c(c1)N=Nc1c(O)ccc2c1cccc2)OC,1
-hansen_26538-44-3,O[C@H]1CCCCCc2cc(O)cc(c2C(=O)O[C@H](CCC1)C)O,0
-hansen_602-38-0,[O-][N+](=O)c1cccc2c1c(ccc2)[N+](=O)[O-],1
-hansen_309-36-4,CCC#C[C@H]([C@@]1(CC=C)C(=O)NC(=O)N(C1=O)C)C,0
-hansen_139259-94-2,CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)C,1
-hansen_114451-08-0,[O-][N+](=O)c1nc2c(n1C)ccc1c2cccn1,1
-hansen_2784-86-3,CC(=O)Nc1ccc2-c3c(Cc2c1O)cccc3,0
-hansen_50834-39-4,CSCCC(C(=O)O)NC(=O)COc1ccc(cc1Cl)Cl,0
-hansen_111753-73-2,COc1ccc(cc1)C(=C(C#N)CCC(=O)O)c1ccc(cc1)OC,0
-hansen_27602-80-8,COc1cc(ccc1OC)CC1CO1,1
-hansen_117760-95-9,Cl/C(=C(\C(=C(Cl)Cl)Cl)/Cl)/SSc1ccccc1[N+](=O)[O-],1
-hansen_173428-76-7,CC(=O)c1ccc2c(c1)CN1C(=N2)c2c(C1=O)cccc2,1
-hansen_NOCAS_M528,O=C(N1CC(=O)N2[C@H](C1)c1ccccc1CC2)C1CCCCC1,0
-hansen_96563-10-9,Fc1ccc2-c3c(C(c2c1)C)cc(cc3)F,1
-hansen_1892-54-2,Nc1ccc2c(c1)c1ccccc1cc2,1
-hansen_139259-95-3,CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)c1ccccc1,1
-hansen_1174-72-7,c1ccc(cc1)O[Si](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1,0
-hansen_187585-43-9,COc1ccc(cc1[N+](=O)[O-])c1oc2ccccc2c(=O)c1[N+](=O)[O-],1
-hansen_1912-31-8,CCCOS(=O)(=O)C,1
-hansen_603-83-8,[O-][N+](=O)c1cccc(c1C)N,1
-hansen_580-17-6,Nc1cnc2c(c1)cccc2,1
-hansen_58-85-5,OC(=O)CCCCC1SCC2C1NC(=O)N2,0
-hansen_614-45-9,O=C(c1ccccc1)OOC(C)(C)C,1
-hansen_34798-80-6,CC(=O)C1(CCNCC1)c1ccccc1,0
-hansen_38579-27-0,NCCCCC(C(=O)NC(C(=O)NC(C(=O)O)CCCCN)Cc1c[nH]c2c1cccc2)N,0
-hansen_87-90-1,O=c1n(Cl)c(=O)n(c(=O)n1Cl)Cl,0
-hansen_122367-97-9,CC1CN(C)C2C(C1)c1cc(Br)cc3c1c(C2)cn3CC1CC1,0
-hansen_14692-41-2,Cn1cnc2c1ccc1c2cccn1,1
-hansen_126370-96-5,Clc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,1
-hansen_51787-75-8,Nc1cc(ccc1c1ccc(cc1)[N+](=O)[O-])[N+](=O)[O-],1
-hansen_74-85-1,C=C,0
-hansen_130-17-6,Nc1ccc(cc1)c1nc2c(s1)c(c(cc2)C)S(=O)(=O)O,1
-hansen_NOCAS_M137,OCN1[C@H](O)[C@H](N(C1=O)CO)O,1
-hansen_97851-14-4,[O-][N+](=O)c1cccc(c1)c1ccc(c(c1)[N+](=O)[O-])O,1
-hansen_102000-59-9,OC(=O)c1c(N)cccc1N,1
-hansen_113058-38-1,Oc1ccc2c(c1)c1cc3ccccc3cc1c1c2cccc1,1
-hansen_106-38-7,Cc1ccc(cc1)Br,0
-hansen_3375-84-6,CC(CN1CC(OC1=O)C)O,0
-hansen_8047-99-2,CCNS(=O)(=O)c1ccccc1C,1
-hansen_85-84-7,Nc1ccc2c(c1N=Nc1ccccc1)cccc2,0
-hansen_612-57-7,Clc1ccc2c(c1)cccn2,1
-hansen_59901-90-5,CC(=O)O[C@@H](c1ccc2c(c1)OCO2)[C@@H]1CO1,1
-hansen_141-32-2,CCCCOC(=O)C=C,0
-hansen_2921-88-2,CCOP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OCC,0
-hansen_2107-76-8,Oc1cc(O)c2c(c1)oc(=O)cc2C,0
-hansen_117-02-2,O=C1c2ccccc2C(=O)c2c1c(O)c(c(c2)O)C,1
-hansen_122365-36-0,[O-][n+]1cnc2c(c1N)ncn2C(c1ccccc1)(c1ccccc1)c1ccccc1,1
-hansen_1672-88-4,O=C1NC(=O)N(C1)/N=C/C=C/c1ccc(o1)[N+](=O)[O-],1
-hansen_21229-99-2,ONc1ccc(cc1)Sc1ccccc1,1
-hansen_294-93-9,O1CCOCCOCCOCC1,0
-hansen_2417-77-8,BrCc1c2ccccc2cc2c1cccc2,1
-hansen_42397-65-9,[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],1
-hansen_3845-76-9,C=CC(=O)NCCCN(C)C,0
-hansen_23043-60-9,Nc1cccc2c1c(N)c1c(n2)cccc1,1
-hansen_101043-65-6,O=Nc1ccc2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],1
-hansen_100-01-6,Nc1ccc(cc1)[N+](=O)[O-],1
-hansen_4531-49-1,COc1ccccc1NC(=O)C(C(=O)C)N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=NC(C(=O)Nc1ccccc1OC)C(=O)C,0
-hansen_541-73-1,Clc1cccc(c1)Cl,0
-hansen_18868-66-1,CCc1c2ccccc2cc2c1c1ccccc1cc2,0
-hansen_60687-93-6,CC(=O)NCCc1ccc(c(c1)c1c(O)c(O)c2c(c1O)C(=O)c1c(C2=O)cc(c(c1C(=O)O)C(=O)O)O)O,0
-hansen_2373-98-0,Nc1ccc(cc1O)c1ccc(c(c1)O)N,1
-hansen_33301-41-6,CS(=O)(=O)OC1CN(C1)C(c1ccccc1)c1ccccc1,1
-hansen_60-23-1,NCCS,0
-hansen_35077-51-1,CN(c1ccc(cc1)N=Nc1ccc(cc1)N(C(=O)C)C)C(=O)C,0
-hansen_299-11-6,C[n+]1c2ccccc2nc2c1cccc2,1
-hansen_5275-46-7,O=NC([N+](=O)[O-])(C)C,1
-hansen_111-49-9,C1CCCCNC1,0
-hansen_591-17-3,Cc1cccc(c1)Br,0
-hansen_120-32-1,Clc1ccc(c(c1)Cc1ccccc1)O,0
-hansen_104-94-9,COc1ccc(cc1)N,1
-hansen_NOCAS_M122,ClCCN(C(=O)N[C@@H](P(=O)(OCC)OCC)C)N=O,1
-hansen_3062-57-5,[O-][N+](=O)c1ccc2c(c1)c1cccc(c1[nH]2)[N+](=O)[O-],1
-hansen_NOCAS_M440,OC(=O)[C@H](O)C,0
-hansen_139953-77-8,OC(=O)c1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,1
-hansen_95-19-2,CCCCCCCCCCCCCCCCCC1=NCCN1CCO,0
-hansen_2243-47-2,Nc1cccc(c1)c1ccccc1,1
-hansen_495-18-1,ONC(=O)c1ccccc1,1
-hansen_140-31-8,NCCN1CCNCC1,0
-hansen_1204-68-8,ClCCN(c1ccc(cc1)C)CCCl,0
-hansen_132172-58-8,OC1C=Cc2c(C1O)c1ccccc1c1c2cc2ccccc2c1,1
-hansen_146724-32-5,COC(=O)c1cc2c([nH]1)c1ncccc1cc2,0
-hansen_120812-46-6,[O-][N+](=O)c1ccc2c3c1c1CCCCc1c1c3c(cc2)ccc1,1
-hansen_608-93-5,Clc1cc(Cl)c(c(c1Cl)Cl)Cl,0
-hansen_965-52-6,Oc1ccc(cc1)C(=O)N/N=C/c1ccc(o1)[N+](=O)[O-],1
-hansen_138805-32-0,CC(=O)Nc1ccc(c(c1)N=[N+](c1cc(ccc1C)NC(=O)C)[O-])C,0
-hansen_315-22-0,O=C1O[C@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]([C@]([C@H]1C)(C)O)(C)O,0
-hansen_135673-14-2,O=Nc1ccc(cc1)Oc1ccc(cc1)NC(=O)C,1
-hansen_302-70-5,ClCC[N+](CCCl)(C)[O-],1
-hansen_136-85-6,Cc1ccc2c(c1)nn[nH]2,0
-hansen_185376-54-9,ONc1cc(NO)c(c(c1)[N+](=O)[O-])C,1
-hansen_143603-81-0,CCOC(=O)c1[nH]c2c(c1/N=C/c1ccc(cc1)C)cccc2,0
-hansen_71382-49-5,c1ccc2-c3cc4ccc5c(c4cc3C3C(c2c1)N3)cccc5,1
-hansen_19190-80-8,COC(=O)C1OC1c1ccccc1,1
-hansen_98-94-2,CN(C1CCCCC1)C,0
-hansen_42308-20-3,CC(C(=O)Nc1ccccc1)Br,1
-hansen_96687-77-3,OC(=O)C1CSC(N1C(=O)CCSSCCC(=O)N1C(CSC1c1ccccc1O)C(=O)O)c1ccccc1O,0
-hansen_NOCAS_M314,O=C([C@H]1CN(C)[C@@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@@]1(C)O[C@]2(N(C1=O)[C@H](Cc1ccccc1)C(=O)N1[C@@H]2CCC1)O,0
-hansen_607-57-8,[O-][N+](=O)c1ccc2-c3c(Cc2c1)cccc3,1
-hansen_34834-67-8,O=C1C(O)CC(N1C)c1cccnc1,0
-hansen_19337-19-0,CC(=O)Nc1ccc(cc1)C(=O)/C=C/c1ccccc1,0
-hansen_892-21-7,[O-][N+](=O)c1ccc2-c3c(-c4c2c1ccc4)cccc3,1
-hansen_111-84-2,CCCCCCCCC,0
-hansen_128531-59-9,CCN(C(=S)SSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)CC,0
-hansen_603-50-9,CC(=O)Oc1ccc(cc1)C(c1ccccn1)c1ccc(cc1)OC(=O)C,0
-hansen_5850-89-5,Cc1ccc(c(c1)S(=O)(=O)O)N=Nc1c(O)ccc2c1cccc2,0
-hansen_104499-47-0,CNCCN(c1ccccn1)Cc1ccc(cc1)OC,0
-hansen_139953-95-0,CCCO/C=C/C=C/C=C/C=C/C=C/CC,1
-hansen_13551-87-6,[O-][N+](=O)c1nccn1C[C@H](COC)O,1
-hansen_3648-20-2,CCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCC,0
-hansen_89300-15-2,CC/C=C/C=C/C=C/C=C/C=C/OCC(CO)O,1
-hansen_5166-35-8,CC(=C)C(Cl)C,1
-hansen_523-61-5,COc1c(C(=O)O)c(O)nc2c1cccc2,0
-hansen_60-13-9,CC(Cc1ccccc1)N,0
-hansen_108-30-5,O=C1CCC(=O)O1,0
-hansen_495-48-7,[O-][N+](=Nc1ccccc1)c1ccccc1,1
-hansen_69245-38-1,COC(=O)[C@@H]1c2cc3c(c(c2[C@H](C[C@]1(O)CC)O[C@@H]1O[C@@H](C)[C@H]([C@H](C1)N(C)C)O[C@H]1C[C@H](O)[C@@H]([C@@H](O1)C)O[C@@H]1O[C@@H](C)C(=CC1=N)O)O)C(=O)c1c(C3=O)c(O)ccc1O,1
-hansen_97461-41-1,O=C(/C=C/c1ccc(o1)[N+](=O)[O-])NCC(C)(C)C,1
-hansen_90-12-0,Cc1cccc2c1cccc2,0
-hansen_3411-58-3,CCOC(=O)C(CS)N,1
-hansen_53737-95-4,C1=C[C@H]2[C@@H](O1)Oc1c2cccc1,1
-hansen_50-29-3,ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl,0
-hansen_53478-38-9,CS(=O)(=O)Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,1
-hansen_62-56-6,NC(=S)N,0
-hansen_95-83-0,Clc1ccc(c(c1)N)N,1
-hansen_77784-22-6,COc1c(OC)ccc2c1cc1N(C)CCc3c1c2c1OCOc1c3,1
-hansen_23077-88-5,OCCOc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)OCCO)OCCO,0
-hansen_10125-76-5,O=Nc1ccc(cc1)c1ccccc1,1
-hansen_102-70-5,C=CCN(CC=C)CC=C,0
-hansen_79-36-7,ClC(=O)C(Cl)Cl,1
-hansen_3722-54-1,COc1cc(OC)c2c(c1)oc1c(c2=O)cc(cc1)OC,1
-hansen_1122-62-9,CC(=O)c1ccccn1,0
-hansen_139259-98-6,O=C(c1ccccc1)N(OC(=O)C)OCc1ccc(cc1)[N+](=O)[O-],1
-hansen_8062-14-4,Nc1cc(N)c(cc1N=Nc1ccc(cc1)S(=O)(=O)N)N=Nc1ccc(cc1)S(=O)(=O)N,1
-hansen_84506-41-2,CC(C(=O)OC)CN=N#N,1
-hansen_66842-41-9,c1ccc2c(c1)ccc1c2cc([C@H]2OC2)c2c1cccc2,1
-hansen_100-75-4,O=NN1CCCCC1,1
-hansen_83473-93-2,CSCCC(=O)N1C(CSC1c1ccccc1O)C(=O)O,0
-hansen_101688-02-2,ClCCN(c1ccc2c(c1)ccc1c2cc(o1)[N+](=O)[O-])CCCl,1
-hansen_138331-98-3,N#N=NCC1OC(O)C(C(C1O)O)O,1
-hansen_26675-46-7,FC(OC(C(F)(F)F)Cl)F,0
-hansen_121-57-3,Nc1ccc(cc1)S(=O)(=O)O,0
-hansen_155164-60-6,Clc1ccc(cc1)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,0
-hansen_104-40-5,CCCCCCCCCc1ccc(cc1)O,0
-hansen_37597-20-9,O=NN1CCc2c(C1)cc(c(c2)OC)OC,1
-hansen_6379-69-7,C/C=C/C(=O)OC1CC2C3(C1(C)C1(C)CC(=O)C(=CC1O2)C)CO3,0
-hansen_52101-49-2,CC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],1
-hansen_599-07-5,OC1CC2(C)C(C(C1O)(C)C(=O)O)CCC1(C2CC=C2C1(C)CCC1(C2CC(C)(C)CC1)C(=O)O)C,0
-hansen_491-64-5,COc1ccc2c(c1)c(=O)c1c(o2)cc(cc1O)O,1
-hansen_130-80-3,CC/C(=C(\c1ccc(cc1)OC(=O)CC)/CC)/c1ccc(cc1)OC(=O)CC,0
-hansen_710-25-8,NC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],1
-hansen_124858-35-1,OC1CCN(CC1)c1c(F)cc2c3c1CCC(n3cc(c2=O)C(=O)O)C,0
-hansen_111-02-4,C/C(=C/CC/C=C(\CC/C=C(\CCC=C(C)C)/C)/C)/CC/C=C(\CCC=C(C)C)/C,0
-hansen_58-15-1,CN(c1c(C)n(n(c1=O)c1ccccc1)C)C,1
-hansen_96-29-7,C/C(=N/O)/CC,1
-hansen_136-95-8,Nc1nc2c(s1)cccc2,0
-hansen_4813-50-7,CCCCOO,1
-hansen_24777-14-8,COc1cc(ccc1O)c1nc(c([nH]1)c1ccccc1)c1ccccc1,1
-hansen_396-01-0,Nc1nc(N)c2c(n1)nc(c(n2)c1ccccc1)N,0
-hansen_585-08-0,c1ccc2c(-c3ccccc3C3C2O3)c1,1
-hansen_NOCAS_M94,OC[C@@H]1O[C@@H]1[C@@]12O[C@H]2[C@@]2(C(=CC1=O)CC[C@H]([C@H]2C)O)C,1
-hansen_89415-69-0,BrCCOC(=O)C(=O)OCCBr,1
-hansen_30461-65-5,Oc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)C=CO3,1
-hansen_48134-75-4,C[n+]1ccc(cc1)c1ccccc1,0
-hansen_118-79-6,Brc1cc(Br)c(c(c1)Br)O,0
-hansen_73536-69-3,COC(=O)c1cc(OC)c2c(c1c1c(cc(c3c1OCO3)OC)C(=O)OC)OCO2,0
-hansen_150446-00-7,[O-][N+](=O)c1ccc2c(c1)c(/C=N/OCc1cccc(c1)[N+](=O)[O-])c(n2Cc1ccccc1)C,1
-hansen_4514-19-6,Cc1cc2c3c4c1cccc4ccc3cc1c2cccc1,1
-hansen_280-57-9,C1CN2CCN1CC2,0
-hansen_458-37-7,COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(c(c2)OC)O)ccc1O,0
-hansen_7576-88-7,Nc1ccc2c(c1)nc(c(n2)C)C,1
-hansen_NOCAS_M376,Cl[C@H]1C=C[C@@H]2[C@@H]1[C@@]1(Cl)C(=C([C@@]2(C1(Cl)Cl)Cl)Cl)Cl,0
-hansen_106532-77-8,O=C(c1cccc(c1)[N+](=O)[O-])/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1cccc(c1)[N+](=O)[O-],1
-hansen_532-82-1,Nc1ccc(c(c1)N)N=Nc1ccccc1,1
-hansen_NOCAS_M326,OC[C@H](O)C,0
-hansen_40809-41-4,CCC(COC(=O)c1ccccc1C(=O)O)CCCC(=O)O,0
-hansen_2148-31-4,Cl/C=C(/SCC(C(=O)O)NC(=O)C)\Cl,1
-hansen_106-63-8,C=CC(=O)OCC(C)C,0
-hansen_345667-60-9,CCc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],1
-hansen_606-22-4,Nc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],1
-hansen_75-99-0,OC(=O)C(Cl)(Cl)C,0
-hansen_133-07-3,ClC(SN1C(=O)c2c(C1=O)cccc2)(Cl)Cl,1
-hansen_147-24-0,CN(CCOC(c1ccccc1)c1ccccc1)C,0
-hansen_219-08-9,C1=Cc2c(C1)ccc1c2ccc2c1cccc2,1
-hansen_16430-32-3,CC(=O)OCc1c2ccccc2cc2c1cccc2,1
-hansen_3121-61-7,COCCOC(=O)C=C,0
-hansen_35282-68-9,OCc1ccccc1N=Nc1ccc(cc1)N(C)C,1
-hansen_107-18-6,OCC=C,0
-hansen_4901-51-3,Clc1c(O)cc(c(c1Cl)Cl)Cl,0
-hansen_121-60-8,CC(=O)Nc1ccc(cc1)S(=O)(=O)Cl,0
-hansen_84434-42-4,Nc1ccc(c(c1C)N)N=Nc1ccccc1,1
-hansen_111-24-0,BrCCCCCBr,1
-hansen_75-04-7,CCN,0
-hansen_107-07-3,OCCCl,1
-hansen_112-53-8,CCCCCCCCCCCCO,0
-hansen_1785-51-9,O=C1C=Cc2c3c1ccc1c3c(cc2)C(=O)C=C1,1
-hansen_149418-41-7,BrC1=C(Br)C(=O)OC1,1
-hansen_634-93-5,Clc1cc(Cl)c(c(c1)Cl)N,0
-hansen_191-30-0,c1ccc2c(c1)c1c3ccccc3c3c4c1c(c2)ccc4ccc3,1
-hansen_110-96-3,CC(CNCC(C)C)C,0
-hansen_88741-67-7,COc1ccc2c(-c3nccc4c3c(C2=O)c(O)c(c4)OC)c1,1
-hansen_61-82-5,Nc1n[nH]cn1,0
-hansen_25413-02-9,CCOC(=O)CNC(=O)C(Br)C,1
-hansen_145531-22-2,NCCCS(=O)(=O)Nc1ccc(cc1)Nc1c2cc(N=N#N)ccc2nc2c1ccc(c2)N=N#N,1
-hansen_74367-78-5,ClCc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],1
-hansen_NOCAS_M188,OC[C@@H]1O[C@H](O[C@H]([C@@H](C(=O)N[C@H]([C@H]([C@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCN[C@@H](c2ccccc2)C)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)OC(=O)N)O,1
-hansen_7756-96-9,CCCCOC(=O)c1ccccc1N,0
-hansen_16354-50-0,CCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,0
-hansen_93673-32-6,c1ccc2c(c1)C1=C3OC3=C3C1C(=c1ccccc1=C3)C2,1
-hansen_2998-23-4,CCCCCOC(=O)C=C,0
-hansen_926-06-7,CC(OS(=O)(=O)C)C,1
-hansen_2422-79-9,Cc1c2ccccc2cc2c1c1ccccc1cc2,1
-hansen_86853-97-6,O=C1c2ccc3c(c2-c2c1ccc1c2cccc1)cccc3,1
-hansen_59405-31-1,OS(=O)(=O)CNc1ccc(cc1)N=Nc1cccnc1,0
-hansen_477-73-6,Nc1cc2c(cc1C)nc1c([n+]2c2ccccc2)cc(c(c1)C)N,1
-hansen_69-09-0,CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C,0
-hansen_NOCAS_M393,COC(=C1C(=NC(=C([C@H]1c1cccc(c1Cl)Cl)C(=O)OC(C)C)COC(=O)N)C)O,0
-hansen_16238-56-5,BrCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,1
-hansen_61788-44-1,c1cc(/C=C/c2ccccc2)cc(c1)/C=C/c1ccccc1,0
-hansen_17024-19-0,[O-][N+](=O)c1ccc2c(c1)c1ccccc1cc2,1
-hansen_96287-03-5,Nc1cnc2c(c1C)nc1n2cccc1C,1
-hansen_71422-67-8,O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(c(c1)Cl)Oc1ncc(cc1Cl)C(F)(F)F,0
-hansen_NOCAS_M419,CCCCCCCCCCCCOC[C@@H]1OC1,0
-hansen_114414-79-8,CN1C2=Nc3c(C2C(c2c1cccc2)C)cccc3,1
-hansen_3697-24-3,Cc1cc2ccccc2c2c1c1ccccc1cc2,1
-hansen_844-26-8,Clc1cc(Cl)c(c(c1)S(=O)c1cc(Cl)cc(c1O)Cl)O,1
-hansen_14160-38-4,O=C1C=C(C(=O)C(=C1)C1=CC(=O)C=C(C1=O)C(C)(C)C)C(C)(C)C,1
-hansen_2444-36-2,OC(=O)Cc1ccccc1Cl,0
-hansen_26266-68-2,C=CCCC(C=O)CC,0
-hansen_1698-60-8,Nc1cnn(c(=O)c1Cl)c1ccccc1,0
-hansen_20830-81-3,COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)C(OC1CC(N)C(C(O1)C)O)CC(C2)(O)C(=O)C,1
-hansen_67464-46-4,c1ccc2c(-c3ccccc3C3C2N3)c1,1
-hansen_NOCAS_M125,c1ccc2c(c1)cc1c3c2[C@H]2O[C@H]2c3cc2c1cccc2,1
-hansen_60-93-5,C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](c1ccnc2c1cc(OC)cc2)O,0
-hansen_91687-67-1,CC(C(=O)NCc1ccc(cc1)Cl)Br,1
-hansen_70955-02-1,NNC(=O)CNc1ccc2c(c1)cccc2,0
-hansen_138542-40-2,[O-][N+](=O)c1cc2ccc3c4c2c(c1)ccc4cc1c3cccc1,1
-hansen_105427-01-8,O=C(C1(C)OC1)Nc1ccccc1,1
-hansen_66-22-8,Oc1ccnc(n1)O,0
-hansen_162050-11-5,COC(=O)C1O/C(=N\O)/C(=C1Cl)Cl,0
-hansen_97546-74-2,OCC(C(CO)O)NC(=O)C1CC([N+](=O)C1(C)C)(C)C,0
-hansen_88492-34-6,N#N=NCC(Cn1cnc2c1ncnc2N)O,1
-hansen_17528-53-9,ClCCN(c1ccc(cc1)OCC(=O)O)CCCl,1
-hansen_103616-17-7,OC(=O)c1occc(=O)c1O,0
-hansen_602-01-7,[O-][N+](=O)c1c(C)cccc1[N+](=O)[O-],1
-hansen_128753-91-3,CC(=O)Oc1ccc2c(c1)C1(C)OOC1(O2)C,1
-hansen_107097-80-3,CCCCCN(C(=O)C(NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCOC,0
-hansen_30418-53-2,C=CC(=O)c1ccc2c(c1)OCO2,0
-hansen_469-83-0,OCC1(O)C[C@@]23CC1CCC3[C@]1(C(CC2)c2ccoc2CC1)C,0
-hansen_65847-03-2,COc1c2c(CC=C(C)C)c3OCOc3c(c2nc2c1cco2)O,0
-hansen_696-54-8,O/N=C/c1ccncc1,0
-hansen_33979-15-6,C=C/C/1=C/C(C)C(C)(OC(=O)C)C(=O)OCC2=CC[N+]3(C2(C(OC1=O)CC3)O)C,1
-hansen_142-84-7,CCCNCCC,0
-hansen_NOCAS_M37,O=C(N[C@@H](C(=O)NCC(=O)O)CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])CC[C@H](C(=O)O)N,1
-hansen_33203-82-6,CCN(c1ccc2c(c1)[o+]c1c(n2)ccc(c1)N(CC)CC)CC,1
-hansen_109143-20-6,ClCCN(c1ccc(c2c1cc(o2)[N+](=O)[O-])OC)CCCl,1
-hansen_124617-85-2,CCCCCCCCON(C(=O)c1ccccc1)OC(=O)C,1
-hansen_6795-16-0,COc1cc2OC3C(c2c2c1c(=O)c1c(o2)cccc1O)CCO3,0
-hansen_531-85-1,Nc1ccc(cc1)c1ccc(cc1)N,1
-hansen_625-86-5,Cc1ccc(o1)C,0
-hansen_16339-05-2,CCCCCN(CCCC)N=O,1
-hansen_98046-72-1,ONc1cnc2c(c1C)nc1n2cccc1C,1
-hansen_303-47-9,C[C@@H]1OC(=O)c2c(C1)c(Cl)cc(c2O)C(=O)N[C@@H](C(=O)O)Cc1ccccc1,0
-hansen_97606-15-0,N1C2C1c1cscc1-c1c2csc1,1
-hansen_NOCAS_M191,Clc1ccc(cc1)CC[C@@H]1OC1,1
-hansen_134959-60-7,Cc1ccc(c(c1)C(=O)O)/N=C/c1cccc2c1nccc2,0
-hansen_121-69-7,CN(c1ccccc1)C,0
-hansen_253-73-6,c1ccc2c(n1)cnnc2,0
-hansen_96-26-4,OCC(=O)CO,1
-hansen_100-21-0,OC(=O)c1ccc(cc1)C(=O)O,0
-hansen_20927-95-1,[O-][N+](=O)c1ccc2c(c1)c1ccccc1o2,1
-hansen_553-24-2,CN(c1ccc2c(c1)nc1c(n2)cc(c(c1)N)C)C,1
-hansen_114020-51-8,COc1cccc2-c3c(C(Cc12)[N+](=O)[O-])ccc1c3OCO1,1
-hansen_528-75-6,O=Cc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],1
-hansen_6217-19-2,CCN(c1ccc(cc1)[N+]#N)CC,1
-hansen_121-14-2,[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])C,1
-hansen_1912-24-9,CCNc1nc(NC(C)C)nc(n1)Cl,0
-hansen_162022-91-5,COc1nncc2c1cncc2,0
-hansen_NOCAS_M308,OC(=O)[C@H](Cc1ccc(c(c1)[N+](=O)[O-])O)N,0
-hansen_69658-91-9,O=NN(c1cccnc1)C,0
-hansen_101-72-4,CC(Nc1ccc(cc1)Nc1ccccc1)C,0
-hansen_151910-75-7,OC1C=Cc2c(C1O)ccc1c2cc2C(O)C(O)c3c(-c2c1)cccc3,0
-hansen_4399-80-8,ON1C(C)(C)CC(C1(C)C)C(=O)N,0
-hansen_159092-69-0,[O-][N+](=O)c1ccc2c(c1)ccc1c2cc(cc1)[N+](=O)[O-],1
-hansen_127-90-2,ClC(C(Cl)(Cl)Cl)COCC(C(Cl)(Cl)Cl)Cl,1
-hansen_1222-98-6,O=C(c1ccccc1)/C=C/c1ccc(cc1)[N+](=O)[O-],1
-hansen_194-03-6,c1cc2ccc3c4c2c(c1)cnc4ccc3,1
-hansen_67411-86-3,OCc1cc2ccccc2c2c1c1ccccc1cc2,1
-hansen_150446-03-0,[O-][N+](=O)c1ccc2c(c1)c(/C=N/OCc1ccccc1)c(n2Cc1cccc(c1)[N+](=O)[O-])C,1
-hansen_92-06-8,c1cc(cc(c1)c1ccccc1)c1ccccc1,0
-hansen_110-72-5,NCCNCC,0
-hansen_130942-88-0,Cc1c2ccccc2c(c2c1cccc2)COS(=O)(=O)O,1
-hansen_113163-24-9,c1ccc2c(n1)c1c(cc2)CCC2C1O2,1
-hansen_2045-52-5,CN(CCN(c1ccccc1)Cc1ccccc1)C,0
-hansen_112-92-5,CCCCCCCCCCCCCCCCCCO,0
-hansen_187585-11-1,COc1ccc(cc1N)c1oc2ccccc2c(=O)c1N,1
-hansen_6807-96-1,Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)c2c(c1)O[C@@H]1[C@H]2C=CO1,1
-hansen_98499-61-7,CSCNc1ccccc1C(=O)C,0
-hansen_531-75-9,OC[C@H]1O[C@@H](Oc2cc3ccc(=O)oc3cc2O)[C@@H]([C@H]([C@@H]1O)O)O,0
-hansen_117-79-3,Nc1ccc2c(c1)C(=O)c1c(C2=O)cccc1,1
-hansen_98-30-6,Oc1ccc(cc1N)S(=O)(=O)C,0
-hansen_118244-44-3,C/C(=C\C(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C)/CC/C=C(/CCC=C(C)C)\C,0
-hansen_27729-95-9,COc1ccc(cc1)[C@H]1O[C@@H]1C(=O)c1ccccc1,1
-hansen_384-22-5,[O-][N+](=O)c1ccccc1C(F)(F)F,0
-hansen_16650-32-1,Fc1ccc(c2c1nccc2)F,1
-hansen_24167-40-6,CCN(CCn1nc2-c3ccc(cc3Sc3c2c1ccc3CO)Cl)CC,1
-hansen_129665-16-3,[O-][n+]1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,1
-hansen_128669-18-1,CN1C=CN(C1/C=N/O)CCOCC#C,0
-hansen_105708-73-4,CC(=O)OCc1c2cccc3c2c2c4c1ccc1c4c(cc2cc3)ccc1,1
-hansen_6795-27-3,CC(=O)N/N=C/C1=CN(O)c2c(N1O)cccc2,1
-hansen_NOCAS_M153,Cl[C@@H]1CN(C[C@H]1Cl)N=O,1
-hansen_2243-62-1,Nc1cccc2c1cccc2N,1
-hansen_14919-77-8,OCC(C(=O)NNCc1ccc(c(c1O)O)O)N,1
-hansen_611-23-4,O=Nc1ccccc1C,1
-hansen_60877-91-0,Oc1cccc(c1)/C=N/c1snc2c1cccc2,1
-hansen_835-71-2,Cc1ccc(cc1)c1nc2c(o1)cccc2,0
-hansen_14204-98-9,CNc1ccc2c(c1N)cccn2,0
-hansen_16169-16-7,ONc1ccc(cc1)[N+](=O)[O-],1
-hansen_122-80-5,CC(=O)Nc1ccc(cc1)N,1
-hansen_716-53-0,Clc1c2ccccc2cc2c1cccc2,1
-hansen_NOCAS_M295,CCCCOC[C@H]1CO1,1
-hansen_85-98-3,CCN(C(=O)N(c1ccccc1)CC)c1ccccc1,0
-hansen_128-37-0,Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C,0
-hansen_58-19-5,O=C1CC2CCC3C(C2(CC1C)C)CCC1(C3CCC1O)C,0
-hansen_NOCAS_M559,CC[C@H](N)C,0
-hansen_62573-57-3,CCC(c1cccc(c1)OC(=O)N(N=O)C)CC,1
-hansen_147974-61-6,CC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)C)N,1
-hansen_97-18-7,Clc1cc(Sc2cc(Cl)cc(c2O)Cl)c(c(c1)Cl)O,0
-hansen_25413-64-3,CCCCN(CCC)N=O,1
-hansen_116169-87-0,O=Nc1nccn1C,1
-hansen_130536-37-7,c1cnc2c(c1)C1OC1C=C2,0
-hansen_3688-79-7,COc1ccc2-c3ccccc3C(=O)c3c2c1ccc3,1
-hansen_35945-34-7,CCN(c1ccc(cc1)N=Nc1ccc(cc1C#N)[N+](=O)[O-])CC,1
-hansen_57-92-1,OCC1OC(OC2C(OC3C(O)C(O)C(C(C3N=C(N)N)O)N=C(N)N)OC(C2(O)C=O)C)C(C(C1O)O)NC,1
-hansen_26093-31-2,Nc1ccc2c(c1)oc(=O)cc2C,0
-hansen_95331-48-9,CC(=O)N(c1ccc2c3c1ccc1c3c(cc2)ccc1)O,1
-hansen_90243-66-6,O=C(C1CSC(C(=O)N1)C)NC(C(=O)N1CCCC1C(=O)N)Cc1c[nH]cn1,0
-hansen_3366-61-8,CC(=O)Nc1ccc(cc1)c1ccc(cc1)N,1
-hansen_834-28-6,NC(=NC(=N)N)NCCc1ccccc1,0
-hansen_1155-38-0,Cc1c2C3OC3c3c(-c2cc2c1cccc2)cccc3,1
-hansen_132172-57-7,OC1C=Cc2c(C1O)c1cc3ccccc3cc1c1c2cccc1,1
-hansen_NOCAS_M486,CCCC[C@H](COC(=O)CCCCCCCCC(=O)OC[C@@H](CCCC)CC)CC,0
-hansen_18024-11-8,Cc1ccc(c2c1n(C)c1c2cccc1)C,1
-hansen_36099-26-0,O1C[C@H]1c1ccc(cc1)c1ccccc1,1
-hansen_527-17-3,CC1=C(C)C(=O)C(=C(C1=O)C)C,0
-hansen_106-42-3,Cc1ccc(cc1)C,0
-hansen_146-22-5,O=C1CN=C(c2c(N1)ccc(c2)[N+](=O)[O-])c1ccccc1,0
-hansen_6325-54-8,ClCc1c2ccc3c(c2cc2c1cccc2)cccc3,1
-hansen_498-02-2,COc1cc(ccc1O)C(=O)C,0
-hansen_95-87-4,Cc1ccc(c(c1)O)C,0
-hansen_13345-62-5,ClCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,1
-hansen_314084-63-4,CCc1cc(cc(c1N)CC)c1ccccc1,0
-hansen_121625-58-9,CC1=CC2CCCCC2c2c1cccc2,1
-hansen_110044-40-1,OC1C2OC2c2c(C1O)ccc1c2cc(C)c2c1cccc2,0
-hansen_71-23-8,CCCO,0
-hansen_2798-25-6,COc1cc(O)c2c(c1)oc1c(c2=O)c(O)ccc1O,1
-hansen_99-09-2,Nc1cccc(c1)[N+](=O)[O-],1
-hansen_16757-81-6,Cc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,1
-hansen_11042-64-1,COc1cc(/C=C/C(=O)OC2CCC34C(C2(C)C)CCC2C4(C3)CCC3(C2(C)CCC3C(CCC=C(C)C)C)C)ccc1O,0
-hansen_7319-59-7,CC(=O)OC1Cc2c3c1c1ccc4c(c1cc3ccc2C)cccc4,1
-hansen_NOCAS_M186,OC[C@H]1O[C@@H](O[C@H]([C@H](C(=O)N[C@@H]([C@@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCCN=C(N)N)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)OC(=O)N)O,1
-hansen_22181-94-8,CCOC(=O)CNC(=O)CCCCSc1[nH]cnc2-c1ncn2,0
-hansen_NOCAS_M412,CCCCCCCCCCCCCC[C@@H]1OC1,0
-hansen_70-34-8,[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])F,1
-hansen_5381-79-3,[O-][N+](=O)c1cc2c(cc1)ncn2C,1
-hansen_57541-73-8,O=NN1CC[C@@H]([C@H](C1)Br)Br,1
-hansen_67019-20-9,CCC(=O)Nc1snc2c1cccc2,0
-hansen_86-42-0,CCN(Cc1cc(ccc1O)Nc1ccnc2c1ccc(c2)Cl)CC,0
-hansen_69686-05-1,O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)C)Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C,1
-hansen_67-66-3,ClC(Cl)Cl,0
-hansen_142713-63-1,COc1ccc(cc1)CNC(=O)C(Br)C,1
-hansen_477-30-5,CNC1CCc2c(-c3c1cc(=O)c(cc3)OC)c(OC)c(c(c2)OC)OC,0
-hansen_118-74-1,Clc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,0
-hansen_67587-52-4,O=NN1CCOC(C1)O,1
-hansen_6943-00-6,O=C1CCC(=O)N1c1ccc(cc1)Cl,0
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-hansen_134-29-2,COc1ccccc1N,1
-hansen_NOCAS_M93,C[C@H]1CS(=O)(=O)CCN1/N=C/c1ccc(o1)[N+](=O)[O-],1
-hansen_145-49-3,Nc1ccc(c2c1C(=O)c1c(O)ccc(c1C2=O)N)O,1
-hansen_30095-63-7,CCC1(C)CO1,0
-hansen_922-63-4,CCC(=C)C=O,1
-hansen_60877-83-0,Oc1ccc(cc1)/C=N/c1snc2c1cc(Cl)cc2Cl,1
-hansen_87-29-6,O=C(c1ccccc1N)OC/C=C/c1ccccc1,0
-hansen_91-63-4,Cc1ccc2c(n1)cccc2,1
-hansen_124-48-1,ClC(Br)Br,0
-hansen_91137-28-9,Cc1ccc2c(c1)cc(cc2)[N+](=O)[O-],1
-hansen_80909-78-0,CC1(OC1)c1ccc(cc1)Br,0
-hansen_548-04-9,Oc1cc(C)c2c3c1C(=O)c1c(O)cc(c4c1c3c1c3c2c(C)cc(c3C(=O)c2c1c4c(O)cc2O)O)O,0
-hansen_108-18-9,CC(NC(C)C)C,0
-hansen_2016-88-8,NC(=N)NC(=O)c1nc(Cl)c(nc1N)N,1
-hansen_4403-61-6,C/C(=C/C)/C#N,0
-hansen_27776-01-8,Cc1ccc(cc1)Cc1ccccc1,0
-hansen_98736-47-1,O=NN(Cc1cccc(c1)Br)C,1
-hansen_116505-02-3,CC(=O)N(c1ccc(cc1)Sc1ccccc1)OC(=O)C,1
-hansen_NOCAS_M464,CCC[C@H]([C@H](CO)CC)O,0
-hansen_13114-72-2,CNC(=O)N(c1ccccc1)c1ccccc1,0
-hansen_NOCAS_M139,C1O[C@H]1[C@@H]1CC[C@H]2[C@@H](C1)O2,1
-hansen_108-90-7,Clc1ccccc1,0
-hansen_97-32-5,COc1ccc(cc1[N+](=O)[O-])C(=O)Nc1ccccc1,1
-hansen_81-20-9,[O-][N+](=O)c1c(C)cccc1C,0
-hansen_133831-60-4,ClC(=C(SSc1ccccc1[N+](=O)[O-])Cl)Cl,1
-hansen_6369-59-1,Nc1ccc(cc1C)NOS(=O)(=O)O,1
-hansen_69-74-9,OCC1OC(C(C1O)O)n1ccc(nc1=O)N,0
-hansen_4873-56-7,CC(COS(=O)(=O)c1ccc(cc1)C)C,0
-hansen_112022-07-8,CN(CCNC(=O)c1cccc2c1sc1ccccc1c2=O)C,1
-hansen_55256-53-6,Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)C1(O)C=COC1O2)CCC(O)(C)C,1
-hansen_91-13-4,BrCc1ccccc1CBr,0
-hansen_119-36-8,COC(=O)c1ccccc1O,1
-hansen_110-52-1,BrCCCCBr,1
-hansen_4238-71-5,c1ccc(cc1)Cn1cncc1,1
-hansen_1464-53-5,CCC12OC2O1,1
-hansen_67-03-8,OCCc1sc[n+](c1C)Cc1cnc(nc1N)C,0
-hansen_50-89-5,OCC1OC(CC1O)n1cc(C)c(=O)[nH]c1=O,0
-hansen_105802-11-7,[O-][N+](=O)c1c2ccccc2c2c(c1C)c1ccccc1cc2,1
-hansen_494-90-6,CC1CCc2c(C1)occ2C,0
-hansen_32828-84-5,CN(C1Cc2cccc3c2c(C1)ccc3)C,1
-hansen_131841-09-3,COCCOCCOP1(OCCOCCOC)NP(OCCOCCOC)(OCCOCCOC)NP(N1)(OCCOCCOC)OCCOCCOC,0
-hansen_99766-47-9,O=Nc1c(CC)cccc1CC,1
-hansen_118-55-8,O=C(c1ccccc1O)Oc1ccccc1,0
-hansen_118354-50-0,COc1ccc2c(c1)C1CCCCC1C1C2O1,0
-hansen_NOCAS_M156,O=C/C=C/C=C/C=C/C=C/[C@@H](CC)O,1
-hansen_581-28-2,Nc1ccc2c(c1)cc1c(n2)cccc1,1
-hansen_10184-51-7,[CH-]1Nc2c(C(=N)[N+]1=O)ncn2C,1
-hansen_394-68-3,Fc1cccc2c1nccc2,1
-hansen_142044-41-5,OC1CC=Cc2c1nccc2,0
-hansen_115664-50-1,Oc1ccc2c3c1ccc1c3c(c3c2cccc3)c(cc1)[N+](=O)[O-],1
-hansen_119584-53-1,O=C(Cn1c(=O)sc2c1cccc2)OCc1ccccc1,0
-hansen_1795-83-1,ON(c1ccccc1)C(=O)C,0
-hansen_20020-02-4,Clc1c(Cl)c(Cl)c(c2c1cccc2)Cl,0
-hansen_1805-02-3,COc1ccc2c(c1)nc(n2C)N,1
-hansen_110207-65-3,CCOC(=O)c1[n+]([O-])nnc2c1n(C)c1c2cccc1,1
-hansen_64188-64-3,c1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,1
-hansen_6051-98-5,O=C1c2ccccc2-c2c1ccc1c2cccc1,1
-hansen_1120-21-4,CCCCCCCCCCC,0
-hansen_611-53-0,OCC1OC(CC1O)n1cc(I)c(nc1=O)N,0
-hansen_56719-24-5,COC(=O)/C(=C(/c1cc(Cl)ccc1Cl)\OP(=O)(OC)OC)/Cl,0
-hansen_73-03-0,OCC1CC(C(O1)n1cnc2c1ncnc2N)O,1
-hansen_93943-58-9,O=CC1=C(CC(C2=CCC(C2)(C)C)C)C(OC1)O,0
-hansen_NOCAS_M264,OC[C@@H](CCl)Cl,1
-hansen_1609-47-8,CCOC(=O)OC(=O)OCC,0
-hansen_4816-14-2,NC(=N)c1ccc(cc1)c1cc2c(s1)cc(cc2)C(=N)N,0
-hansen_6926-47-2,N#N=NC(c1ccccc1)c1ccccc1,1
-hansen_108-50-9,Cc1cncc(n1)C,1
-hansen_106532-70-1,CCCCCCCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCCCCCCC,1
-hansen_NOCAS_M294,FC[C@H]1CO1,1
-hansen_17372-87-1,OC(=O)c1ccccc1c1c2cc(Br)c(c(c2oc2-c1cc(Br)c(=O)c2Br)Br)O,1
-hansen_108319-06-8,CC1NCCN(C1)c1cc2n(cc(c(=O)c2cc1F)C(=O)O)c1ccc(cc1F)F,1
-hansen_163275-66-9,Fc1cccc2c1ccc1c2cccn1,1
-hansen_51-52-5,CCCc1cc(O)nc(n1)S,0
-hansen_134998-79-1,[O-][N+](=O)c1cc2cccc3c2c2c1cccc2c1c3CCCC1,1
-hansen_2416-94-6,Cc1ccc(c(c1O)C)C,0
-hansen_125701-97-5,COc1ccc(cc1)c1[nH]c(nc1c1ccc(cc1)OC)c1ccc(cc1C)C,1
-hansen_125974-01-8,ClCC1=C(Cl)C(=O)OC1,1
-hansen_2277-92-1,Clc1cc(NC(=O)c2c(O)c(Cl)cc(c2Cl)Cl)c(c(c1)Cl)O,0
-hansen_98-92-0,NC(=O)c1cccnc1,0
-hansen_151109-62-5,O[C@H]1C=Cc2c([C@@H]1O)ccc1c2c(cc2c1CCC2=O)C(F)(F)F,1
-hansen_140-03-4,CCCCCCC(OC(=O)C)C/C=C/CCCCCCCC(=O)OC,0
-hansen_563-12-2,CCOP(=S)(OCC)SCSP(=S)(OCC)OCC,0
-hansen_111-83-1,CCCCCCCCBr,0
-hansen_57074-49-4,CCO[C@@H]1O[C@H](OCC)C[C@H]2[C@@]1(C)C[C@H]1[C@@H](C[C@@H]2C)OC(=O)C1=C,1
-hansen_3031-74-1,CCOO,1
-hansen_575-43-9,Cc1ccc2c(c1)cccc2C,0
-hansen_1152-48-3,O=C(c1ccc(cc1)[N+](=O)[O-])/C=C/c1ccccc1,1
-hansen_96-64-0,CC(C(C)(C)C)OP(=O)(F)C,0
-hansen_NOCAS_M345,CN([C@H](CN1c2ccccc2Sc2c1cccc2)C)C,0
-hansen_16306-16-4,O=C1c2ccccc2-c2c3c1cccc3c(cc2)O,1
-hansen_60991-01-7,[O-][N+](=O)c1cccc(c1)/C=N/c1snc2c1cccc2,1
-hansen_139259-92-0,CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)Oc1ccccc1,1
-hansen_76-15-3,FC(C(F)(F)F)(Cl)F,0
-hansen_97389-17-8,Cc1cnc2c(n1)cc(c1c2nc(n1C)N)C,1
-hansen_86854-01-5,O=C1c2c(-c3c1c1ccccc1cc3)ccc1c2cccc1,0
-hansen_92279-99-7,ClCCNCCCNc1c2ccccc2nc2c1cccc2OC,1
-hansen_480-81-9,C/C=C\1/CC(=C)[C@@](C)(O)C(=O)OCC2=CCN3[C@H]2[C@@H](OC1=O)CC3,1
-hansen_6638-64-8,[O-][N+](=O)c1ccc2c(c1)oc(=O)c1c2cccc1,1
-hansen_298-81-7,COc1c2oc(=O)ccc2cc2c1occ2,1
-hansen_70-18-8,SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,1
-hansen_933-75-5,Clc1ccc(c(c1Cl)O)Cl,0
-hansen_63785-41-1,OS(=O)(=O)Oc1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,0
-hansen_NOCAS_M282,O1C[C@@H]1COc1cccc(c1)OC[C@@H]1OC1,1
-hansen_133-49-3,Clc1c(S)c(Cl)c(c(c1Cl)Cl)Cl,0
-hansen_NOCAS_M19,c1cnc2c(c1)C=C[C@H]1[C@@H]2O1,1
-hansen_530-75-6,CC(=O)Oc1ccccc1C(=O)Oc1ccccc1C(=O)O,0
-hansen_78-38-6,CCP(=O)(OCC)OCC,0
-hansen_140-66-9,CC(c1ccc(cc1)O)(CC(C)(C)C)C,0
-hansen_13104-21-7,Br/C=C(/c1ccc(cc1Cl)Cl)\OP(=O)(OC)OC,0
-hansen_137-17-7,Cc1cc(N)c(cc1C)C,1
-hansen_81-49-2,Brc1cc(Br)c(c2c1C(=O)c1ccccc1C2=O)N,1
-hansen_NOCAS_M500,CCCCCCCC[C@H]1CO1,0
-hansen_126-33-0,O=S1(=O)CCCC1,0
-hansen_119613-62-6,CCc1cc2ccccc2c2c1c1C3OC3C(C(c1cc2)O)O,1
-hansen_94574-56-8,CC(=O)OCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,1
-hansen_69657-89-2,CCc1ccccc1Nc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)Nc1ccccc1CC,1
-hansen_28352-32-1,C1CCC2C(C1)c1ccccc1C1C2O1,0
-hansen_522-19-0,COc1cc(OC)c2c(c1)c(OC)c1c(n2)occ1,1
-hansen_18028-56-3,Cc1ccc2c(c1)c1c(C)ccc(c1[nH]2)C,1
-hansen_6441-91-4,Nc1ccc2c(c1N=Nc1ccc(cc1S(=O)(=O)O)[N+](=O)[O-])c(O)cc(c2)S(=O)(=O)O,0
-hansen_3058-37-5,CN=NO,1
-hansen_159092-79-2,[O-][N+](=O)c1ccc2c(c1)c(cc1c2cccc1[N+](=O)[O-])[N+](=O)[O-],1
-hansen_101-77-9,Nc1ccc(cc1)Cc1ccc(cc1)N,1
-hansen_124-09-4,NCCCCCCN,0
-hansen_3029-19-4,O=Cc1ccc2c3c1ccc1c3c(cc2)ccc1,1
-hansen_109-57-9,NC(=S)NCC=C,0
-hansen_55256-57-0,Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)C1C=COC1O2)CCC(O)(C)C,1
-hansen_1030-27-9,CN(c1ccc(cc1)/C=C/C(=O)c1ccccc1)C,0
-hansen_17526-17-9,CCOCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,1
-hansen_NOCAS_M533,CCO[P@@](=O)(Oc1ccc(c(c1)C)SC)NC(C)C,0
-hansen_98601-02-6,OC1C=Cc2c(C1O)cc1c(c2)c(C)cc2c1cccc2O,1
-hansen_885-11-0,O=Nc1c(C)n(n(c1=O)c1ccccc1)C,1
-hansen_5234-68-4,O=C(C1=C(C)OCCS1)Nc1ccccc1,0
-hansen_823-40-5,Nc1cccc(c1C)N,1
-hansen_120042-13-9,[N-]=[N+]=NCC(C(=O)O)(N)C,1
-hansen_66552-77-0,Cc1c2cc(C)c(cc2c(c2c1cccc2)C)C,1
-hansen_5557-27-7,COc1cc(OC)c2c(c1)oc1c(c2=O)c(O)ccc1OC,1
-hansen_434-07-1,O=CC1=C(O)C[C@H]2[C@@](C1)(C)[C@H]1CC[C@]3([C@@H]([C@@H]1CC2)CC[C@]3(C)O)C,0
-hansen_3179-90-6,OCCNc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)NCCO,1
-hansen_117929-14-3,[O-][N+](=O)c1cc2CCc3c4c2c(c1)ccc4ccc3,1
-hansen_56856-83-8,O=NN(COC(=O)C)C,1
-hansen_68162-37-8,COC(=O)/C(=C/c1ccc(o1)[N+](=O)[O-])/[N+](=O)[O-],1
-hansen_13810-83-8,OC(=O)c1c(C(=O)O)c(Br)c(c(c1Br)Br)Br,0
-hansen_134959-55-0,O=C(c1cccc2c1nccc2)OCc1ccccc1,0
-hansen_138580-48-0,CN1CCN(CC1)C1=CC(=O)c2c(C1=O)c1-c(c([nH]2)C)c2c(n1)cccc2,1
-hansen_NOCAS_M30,C1=C[C@@H]2[C@H](C=C1)O2,1
-hansen_2922-83-0,OC(=O)C(CC(=O)c1ccccc1N)N,0
-hansen_57-68-1,Nc1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(n1)C,0
-hansen_212-54-4,c1ccc2c(-c3ccc4c(c3C2)c2ccccc2cc4)c1,1
-hansen_91-59-8,Nc1ccc2c(c1)cccc2,1
-hansen_613-47-8,ONc1ccc2c(c1)cccc2,1
-hansen_199536-82-8,BrC(C1=C(Cl)C(=O)OC1)Br,1
-hansen_99-76-3,COC(=O)c1ccc(cc1)O,0
-hansen_27451-21-4,Cc1ccc(cc1)N(C(=O)C)O,0
-hansen_111-92-2,CCCCNCCCC,0
-hansen_62641-68-3,OCCN(C(=O)OCC)N=O,1
-hansen_173450-36-7,CCCOC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OCCC)N,0
-hansen_135-19-3,Oc1ccc2c(c1)cccc2,0
-hansen_87-82-1,Brc1c(Br)c(Br)c(c(c1Br)Br)Br,0
-hansen_91549-71-2,CN(CCNC(=O)c1ccc2c(c1)nc1c(c2N)cccc1)C,0
-hansen_57471-01-9,OC(CNC(C)(C)C)COc1ccc(cc1C(=O)C)NC(=O)NC(C)(C)C,0
-hansen_19111-89-8,CN(C(c1ccccc1)(c1ccccc1)N(C)C)C,0
-hansen_144-82-1,Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)C,0
-hansen_580-20-1,Oc1ccc2c(c1)nccc2,0
-hansen_NOCAS_M467,OC(=O)C(Oc1ccc(cc1)[C@H]1CCCc2c1cccc2)(C)C,0
-hansen_91379-15-6,CCCC/C=C/C=C/C=C/C=C/C=C/OCC(CO)O,1
-hansen_6217-22-7,O=c1c2cccc3c2c2c(c1=O)cccc2cc3,0
-hansen_55984-51-5,O=NN(CC(=O)C)C,1
-hansen_26444-49-5,Cc1cccc(c1)OP(=O)(Oc1ccccc1)Oc1ccccc1,0
-hansen_6926-44-9,[N-]=[N+]=NCCc1ccccc1,1
-hansen_1211-40-1,Nc1ccc(cc1)c1ccc(cc1)[N+](=O)[O-],1
-hansen_112022-10-3,CN(CCNC(=O)c1cccc2c1Oc1ccccc1O2)C,1
-hansen_144-83-2,Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1,0
-hansen_2122-77-2,OCCOc1cc(Cl)c(cc1Cl)Cl,0
-hansen_75-21-8,O1CC1,1
-hansen_84174-22-1,O=NN(Cc1ccc(cc1)Cl)C,1
-hansen_152-18-1,COP(=S)(OC)OC,0
-hansen_83-46-5,CC[C@@H](C(C)C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C,0
-hansen_94740-40-6,O=NN(C(=O)[C@@H]1CCCN1C(=O)C)CC(=O)O,1
-hansen_50656-61-6,O=CC1=CC(C)C2C(C=C1C=O)CC(C2)(C)C,0
-hansen_124390-37-0,Cc1cc2ccccc2c2c1c1ccccc1c(c2)[N+](=O)[O-],1
-hansen_126370-98-7,COc1cccc(c1)CN1C2C1c1ccccc1-c1c2cccc1,1
-hansen_128-39-2,CC(c1cccc(c1O)C(C)(C)C)(C)C,0
-hansen_14628-90-1,COc1ccc(ccc1=O)[N+](=O)[O-],1
-hansen_23355-97-7,C[C@@H]1O[C@H]1c1ccccc1,0
-hansen_1214-39-7,c1ccc(cc1)CNc1[nH]cnc2-c1ncn2,0
-hansen_38861-78-8,CC(Cc1ccc(cc1)C(=O)C)C,0
-hansen_61477-96-1,CCN1CCN(C(=O)C1=O)C(=O)NC(C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C)c1ccccc1,0
-hansen_98911-08-1,Clc1ccc(c(c1)Cl)Oc1ccc(cc1)N(C(=O)C)O,1
-hansen_525-64-4,Nc1ccc2-c3c(Cc2c1)cc(cc3)N,1
-hansen_53693-68-8,CCN(c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N(CC)CC)CC,0
-hansen_80115-73-7,CCC(=O)N(c1ccc(cc1)c1ccccc1)O,1
-hansen_79560-36-4,COCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,1
-hansen_36193-75-6,Nc1cnc2c(c1)c1ccccc1cc2,1
-hansen_55-55-0,CNc1ccc(cc1)O,1
-hansen_142-83-6,C/C=C\C=C/C=O,1
-hansen_524-42-5,O=C1C=Cc2c(C1=O)cccc2,1
-hansen_132832-26-9,OC1C2OC2c2c(C1O)cc1c(c2)c2ccccc2c2c1cccc2,1
-hansen_NOCAS_M535,CCCCCCCCCCCCCCCCCC(=O)NCCCC[C@@H](C(=O)O)NC(=O)CC[C@H](C(=O)N)NC(=O)[C@@H](NC(=O)[C@H](O[C@@H]1[C@H](NC(=O)C)[C@H](O)O[C@@H]([C@H]1O)CO)C)C,0
-hansen_2314-61-6,S=c1scc(s1)c1ccccc1,0
-hansen_71-43-2,c1ccccc1,0
-hansen_4938-72-1,CC(COC(=O)COc1cc(Cl)c(cc1Cl)Cl)C,0
-hansen_933-78-8,Clc1cc(O)c(c(c1)Cl)Cl,0
-hansen_105553-32-0,O=NN(N(C(=O)/C(=N\O)/C(=O)C)c1ccccc1)C,1
-hansen_55-38-9,CSc1ccc(cc1C)OP(=S)(OC)OC,0
-hansen_7493-63-2,C=CCOC(=O)c1ccccc1N,0
-hansen_520-26-3,COc1ccc(cc1O)C1CC(=O)c2c(O1)cc(cc2O)OC1OC(COC2OC(C)C(C(C2O)O)O)C(C(C1O)O)O,0
-hansen_NOCAS_M392,C=C[C@H]1CCC=CC1,0
-hansen_16804-85-6,C1CCC2C(C1)c1ccccc1C=C2,1
-hansen_1088-56-8,Cc1cc2nc3-c(n(c2cc1C)C)nc(=O)[nH]c3=O,1
-hansen_NOCAS_M472,NC(=O)CN1C[C@@H](CC1=O)O,0
-hansen_110-94-1,OC(=O)CCCC(=O)O,0
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-hansen_95791-46-1,Clc1cc2c(c3c1cccc3)ccc1c2cccc1,1
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-hansen_NOCAS_M271,COC(=O)[C@H]1c2cc3C(=O)c4cccc(c4C(=O)c3c(c2[C@@H](C[C@@]1(O)CC)O)O)O,1
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-hansen_NOCAS_M6,COc1cc(cc(c1O)OC)[C@H]1[C@@H]2C(=O)OC[C@@H]2[C@@H](c2c1cc1OCOc1c2)O[C@@H]1O[C@@H]2CO[C@H](O[C@H]2[C@@H]([C@@H]1O)O)c1cccs1,1
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-hansen_NOCAS_M508,CC[C@@H]1NC(=O)c2c(N1)cc(c(c2)S(=O)(=O)N)Cl,0
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-hansen_98736-50-6,O=NN(Cc1ccc(cc1)Br)C,1
-hansen_630125-99-4,CNc1ncnc(c1)Oc1ccc(cc1)N,1
-hansen_613-35-4,CC(=O)Nc1ccc(cc1)c1ccc(cc1)NC(=O)C,1
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-hansen_57-10-3,CCCCCCCCCCCCCCCC(=O)O,0
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-hansen_160543-23-7,Cc1ccc2c(c1)nc1-c3ccccc3C(C(c1c2C)O)O,0
-hansen_113698-18-3,COC1=CC(=O)c2c(C1=O)nc(c1c2[nH]c2c1CCCC2)C,1
-hansen_106-02-5,O=C1CCCCCCCCCCCCCCO1,0
-hansen_14901-08-7,OC[C@@H]1O[C@H](CN=[N+](C)[O-])[C@H]([C@@H]([C@H]1O)O)O,0
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-hansen_94840-66-1,NC(C(=O)O)CSC(C(F)F)(F)F,0
-hansen_106686-63-9,C/C=C/c1cccc(c1OC)OC,1
-hansen_100-25-4,[O-][N+](=O)c1ccc(cc1)[N+](=O)[O-],1
-hansen_476-46-0,Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1O)C,1
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-hansen_63019-39-6,Oc1ccc2c(c1)c1ccc3c(c1cc2)cccc3,1
-hansen_207-09-0,c1ccc2c(c1)nc1-c3cccc4c3c(-c1c2)ccc4,0
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-hansen_645-62-5,CCC/C=C(\C=O)/CC,0
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-hansen_1820-59-3,[O-][N+](=O)c1cc(ccc1c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],1
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-hansen_150445-96-8,[O-][N+](=O)c1ccc2c(c1)nc(n2Cc1ccccc1)/C=N/OCc1ccccc1[N+](=O)[O-],1
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-hansen_110-58-7,CCCCCN,0
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-hansen_51264-14-3,COc1cc(ccc1Nc1c2ccccc2nc2c1cccc2)NS(=O)(=O)C,1
-hansen_68931-03-3,CCCCCCCOc1ccccc1NC(=O)OC(CN(CC)CC)C,0
-hansen_932-97-8,O=C1C=CC(=N#N)C=C1,1
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-hansen_NOCAS_M150,C=CCOC[C@H]1CO1,1
-hansen_NOCAS_M40,CC[C@H](OC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,1
-hansen_76024-59-4,OC1C(O)C2OC2c2c1ccc1c2c2ccccc2cc1,1
-hansen_2516-93-0,CCCCOCC(=O)O,0
-hansen_56602-33-6,CN([P+](N(C)C)(N(C)C)On1nnc2c1cccc2)C,0
-hansen_118326-95-7,COc1ccc2c(c1)C1CCCCC1C=C2,1
-hansen_95-47-6,Cc1ccccc1C,0
-hansen_50264-69-2,Clc1ccc(c(c1)Cl)Cn1nc(c2c1cccc2)C(=O)O,0
-hansen_118-82-1,CC(c1cc(Cc2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)cc(c1O)C(C)(C)C)(C)C,0
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-hansen_64894-89-9,N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)C(=O)O)cccc1,1
-hansen_5634-39-9,ICC[C@@H]1OC[C@H](O1)CO,1
-hansen_146795-34-8,O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1,1
-hansen_659-70-1,CC(CCOC(=O)CC(C)C)C,0
-hansen_1822-51-1,ClCc1ccncc1,0
-hansen_477-83-8,COc1c2C(=O)c3ccccc3C(=O)c2cc(c1CO)O,1
-hansen_4606-98-8,Cc1ccc(cc1)COS(=O)(=O)c1ccc(cc1)C,0
-hansen_93-76-5,OC(=O)COc1cc(Cl)c(cc1Cl)Cl,0
-hansen_76-06-2,ClC([N+](=O)[O-])(Cl)Cl,1
-hansen_118354-49-7,Brc1ccc2c(c1)C1OC1C1C2CCCC1,0
-hansen_81760-45-4,CCCCCCCCCCCCCCCC(=O)OCC1(O)CC23CC1CCC3C1(C(CC2)c2ccoc2C=C1)C,0
-hansen_698-63-5,O=Cc1ccc(o1)[N+](=O)[O-],1
-hansen_619-25-0,OCc1cccc(c1)[N+](=O)[O-],0
-hansen_95-65-8,Oc1ccc(c(c1)C)C,0
-hansen_143347-57-3,O=CC1=CCCC2(C1(C=O)C2)C,1
-hansen_123-09-1,CSc1ccc(cc1)Cl,0
-hansen_10517-47-2,ONc1ccc(cc1)C(=O)C,1
-hansen_149-91-7,OC(=O)c1cc(O)c(c(c1)O)O,0
-hansen_91540-30-6,C=CCN1C2C1c1ccccc1-c1c2cccc1,1
-hansen_16110-14-8,Oc1ccc2c(c1O)c(C)c1c(c2)c2ccccc2cc1,1
-hansen_134998-71-3,CCC(COC(=O)CCCCC(=O)O)CCC(O)C,0
-hansen_99-56-9,[O-][N+](=O)c1ccc(c(c1)N)N,1
-hansen_98644-23-6,OCc1c2ccccc2c(c2c1c1ccccc1cc2)COS(=O)(=O)O,1
-hansen_1937-35-5,Nc1ccc2c(c1N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1cc(c3c(c1N)cccc3)S(=O)(=O)O)c(O)cc(c2)S(=O)(=O)O,1
-hansen_117-10-2,Oc1cccc2c1C(=O)c1c(C2=O)cccc1O,1
-hansen_3159-62-4,OCCCCCCCCCCCCCCCCCC(=O)O,0
-hansen_125847-46-3,OC1C=Cc2c(C1O)ccc1c2sc2c1cccc2,1
-hansen_366-29-0,CN(c1ccc(cc1)c1ccc(cc1)N(C)C)C,0
-hansen_134785-76-5,O/N=C(/c1ccc2c(c1)nc([nH]2)NC(=O)OC)\c1ccc(cc1)F,1
-hansen_94495-71-3,COc1c(O)c2OC3C(c2c2c1c1CCC(=O)c1c(=O)o2)C=CO3,1
-hansen_113600-15-0,Fc1ccc2c(c1)cc1-c3cccc4c3c(-c1c2)ccc4,1
-hansen_78-67-1,N#CC(N=NC(C#N)(C)C)(C)C,0
-hansen_45021-77-0,C=CC(=O)NCCC[N+](C)(C)C,0
-hansen_590-46-5,OC(=O)C[N+](C)(C)C,0
-hansen_111-42-2,OCCNCCO,0
-hansen_84-60-6,Oc1ccc2c(c1)C(=O)c1c(C2=O)cc(cc1)O,0
-hansen_26196-45-2,Nc1cc([N+](=O)[O-])c(cc1Cl)N,1
-hansen_NOCAS_M69,COP(=O)([C@@H](C(Cl)(Cl)Cl)O)OC,1
-hansen_67-45-8,O=C1OCCN1/N=C/c1ccc(o1)[N+](=O)[O-],1
-hansen_101126-67-4,Clc1cc2Oc3c(Oc2cc1Cl)cc(c(c3Cl)[N+](=O)[O-])Cl,0
-hansen_29043-89-8,CCCCOCC=O,0
-hansen_NOCAS_M574,CCCC[C@H](COC(=O)/C=C/c1ccc(cc1)OC)CC,0
-hansen_101910-34-3,CS(=O)CCC(=O)N1C(CSC1c1ccccc1O)C(=O)O,0
-hansen_94-26-8,CCCCOC(=O)c1ccc(cc1)O,0
-hansen_87261-28-7,OC1C=Cc2c(C1O)ccc1c2cc2ccccc2c1[N+](=O)[O-],1
-hansen_613-92-3,O/N=C(/c1ccccc1)\N,1
-hansen_133-90-4,Clc1cc(N)c(c(c1)C(=O)O)Cl,1
-hansen_470-90-6,CCOP(=O)(O/C(=C\Cl)/c1ccc(cc1Cl)Cl)OCC,1
-hansen_80324-43-2,Nc1ccc(cc1)N=Nc1cccc(c1N)N,1
-hansen_78111-17-8,CC1=C[C@]2(O[C@@H](C1)[C@@H](/C=C/[C@H]1CC[C@]3(O1)CC[C@@H]1[C@@H](O3)[C@H](O)C(=C)[C@H](O1)[C@H](C[C@@H]([C@H]1O[C@@]3(CCCCO3)CC[C@H]1C)C)O)C)O[C@@H](CC[C@@H]2O)C[C@](C(=O)O)(O)C,0
-hansen_NOCAS_M360,OC(=O)C(Oc1ccc(cc1)[C@@H]1CC1(Cl)Cl)(C)C,0
-hansen_57609-64-0,O=C(c1ccc(cc1)N)OCCCOC(=O)c1ccc(cc1)N,0
-hansen_91134-58-6,CC(COC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,1
-hansen_99346-49-3,Oc1cnnc(n1)O,1
-hansen_1321-74-0,C=Cc1ccccc1C=C,0
-hansen_518-47-8,Oc1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)ccc(c1)O,0
-hansen_97-90-5,O=C(C(=C)C)OCCOC(=O)C(=C)C,0
-hansen_143-07-7,CCCCCCCCCCCC(=O)O,0
-hansen_1204-41-7,Nc1ccc(cc1)c1ccccc1C,1
-hansen_75-96-7,OC(=O)C(Br)(Br)Br,1
-hansen_5907-38-0,CN(c1c(C)n(n(c1=O)c1ccccc1)C)CS(=O)(=O)O,1
-hansen_70585-50-1,Ic1cc2cccnc2c(c1)C(=O)O,0
-hansen_NOCAS_M184,ClC([C@H]1OC1)(Cl)Cl,1
-hansen_106686-67-3,O=S(=O)(N1C2C1c1ccccc1-c1c2cccc1)Cc1ccccc1,1
-hansen_97931-40-3,OC1CCCc2c1c([N+](=O)[O-])c1c3c2ccc2c3c(cc1)ccc2,0
-hansen_58-56-0,OCc1c(CO)cnc(c1O)C,0
-hansen_16156-55-1,CC(CCOS(=O)(=O)C)C,1
-hansen_17172-88-2,BrC(c1ccccc1)C(=O)NCc1ccccc1,0
-hansen_4659-45-4,ClC(=O)c1c(Cl)cccc1Cl,1
-hansen_5460-35-5,O=C1C=C(N)c2c(C1=O)cccc2,1
-hansen_13615-38-8,Cc1cc2ccccc2c(c1)[N+](=O)[O-],1
-hansen_421-20-5,COS(=O)(=O)F,1
-hansen_38083-17-9,Clc1ccc(cc1)OC(C(=O)C(C)(C)C)n1cncc1,0
-hansen_58-61-7,OCC1OC(C(C1O)O)n1cnc2c1ncnc2N,0
-hansen_630-20-6,ClCC(Cl)(Cl)Cl,0
-hansen_146795-46-2,O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1[N+](=O)[O-],1
-hansen_78-85-3,CC(=C)C=O,1
-hansen_790-60-3,c1ccc2c(c1)cc1c(c2)c2Oc2c2c1cccc2,1
-hansen_1836-77-7,Clc1cc(Cl)cc(c1Oc1ccc(cc1)[N+](=O)[O-])Cl,1
-hansen_NOCAS_M370,CC[C@H](c1ccccc1O)C,0
-hansen_2461-43-0,c1ccc(cc1)Cc1ccccc1OCC1CO1,1
-hansen_10510-77-7,CC[n+]1c2ccccc2nc2c1cccc2,1
-hansen_53043-28-0,O=CC1=C2C=C(C)OC=C2[C@H]([C@@](C1=O)(C)O)O,1
-hansen_75586-70-8,Nc1ccc2c(c1)[n+](C)c1c(c2)cccc1,1
-hansen_605-71-0,[O-][N+](=O)c1cccc2c1cccc2[N+](=O)[O-],1
-hansen_3022-61-5,CC(=O)C1c2cccc(c2C(=O)c2c1cccc2O)O,1
-hansen_1746-01-6,Clc1cc2Oc3cc(Cl)c(cc3Oc2cc1Cl)Cl,0
-hansen_92134-97-9,OCC(C(C(C(C1SCC(N1N=O)C(=O)O)O)O)O)O,0
-hansen_57-66-9,CCCN(S(=O)(=O)c1ccc(cc1)C(=O)O)CCC,0
-hansen_96-99-1,[O-][N+](=O)c1cc(ccc1Cl)C(=O)O,1
-hansen_4205-90-7,Clc1cccc(c1NC1=NCCN1)Cl,0
-hansen_110-61-2,N#CCCC#N,0
-hansen_18523-48-3,OC(=O)CN=N#N,0
-hansen_406-90-6,C=COCC(F)(F)F,1
-hansen_136112-69-1,[O-][N+](=O)c1ccc(cc1)Nc1[nH]cnc2-c1ncn2,0
-hansen_NOCAS_M361,OC(=O)C[C@@H](C(=O)O)Cl,0
-hansen_2657-25-2,Oc1ccc(cc1)C(=O)/C=C/c1ccccc1,0
-hansen_109-09-1,Clc1ccccn1,1
-hansen_475-54-7,OC1=C(C2=C(O)C(=C(C(=O)C2=O)C)O)C(=O)C(=O)C(=C1O)C,0
-hansen_2872-48-2,COc1cc(N)c2c(c1N)C(=O)c1c(C2=O)cccc1,1
-hansen_NOCAS_M105,C[C@H](OC(=O)C)CN(C[C@@H](OC(=O)C)C)N=O,1
-hansen_105360-93-8,Oc1cc2ccc3c4c2c(n1)ccc4ccc3,1
-hansen_120812-52-4,[O-][N+](=O)c1ccc2c3c1c1CCCCc1c1c3c(cc2)ccc1[N+](=O)[O-],1
-hansen_999-97-3,C[Si](N[Si](C)(C)C)(C)C,0
-hansen_963-89-3,Cc1ccc2c(c1)c(C)c1c(n2)c2ccccc2cc1,1
-hansen_7627-38-5,ClCc1cnc(nc1Cl)Cl,1
-hansen_146795-27-9,COc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],1
-hansen_116-85-8,Oc1ccc(c2c1C(=O)c1ccccc1C2=O)N,1
-hansen_92-52-4,c1ccc(cc1)c1ccccc1,0
-hansen_71400-33-4,[O-][N+](=O)c1ccc2c(c1)Oc1c(O2)cc(cc1)[N+](=O)[O-],1
-hansen_105453-67-6,OC1C(O)c2cc3c(cc2-c2c1cccc2)ccc1c3cccc1,1
-hansen_517-82-8,CCC1=C(O)C(=O)c2c(C1=O)c(O)c(c(c2O)O)O,1
-hansen_110-85-0,N1CCNCC1,0
-hansen_138580-44-6,O=C1C=CC(=O)c2c1nc(C)c1c2[nH]c2c1cccc2,1
-hansen_54755-20-3,Cc1ccc2c(c1)cccc2[N+](=O)[O-],1
-hansen_33100-27-5,O1CCOCCOCCOCCOCC1,0
-hansen_13707-88-5,C=CCc1ccccc1OCC(CNC(C)C)O,0
-hansen_91259-16-4,[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c(cc2)ccc1,1
-hansen_78-34-2,CCOP(=S)(S[C@@H]1OCCO[C@H]1SP(=S)(OCC)OCC)OCC,1
-hansen_106-24-1,OC/C=C(/CCC=C(C)C)\C,0
-hansen_89-61-2,Clc1ccc(c(c1)[N+](=O)[O-])Cl,1
-hansen_7083-63-8,Nc1cccc2c1-c1ccccc1C2,1
-hansen_39932-99-5,OC1CCC2(C(C1)CCC1C2CCC2(C1CCC(=O)N2)C)C,0
-hansen_4465-94-5,OCCCNP(=O)(N(CCCl)CCCl)O,1
-hansen_115-20-8,OCC(Cl)(Cl)Cl,1
-hansen_149862-55-5,CCCCNc1snc2c1cccc2,0
-hansen_103-70-8,O=CNc1ccccc1,0
-hansen_29743-15-5,CCCCOc1ccc(cc1)/C=N/c1ccc(cc1)CC,1
-hansen_490-91-5,CC(C1=CC(=O)C(=CC1=O)C)C,0
-hansen_766-40-5,OC1OC(=O)C(=C1Cl)Cl,1
-hansen_396-30-5,Fc1ccc2c(c1)cccn2,1
-hansen_100-13-0,C=Cc1ccc(cc1)[N+](=O)[O-],1
-hansen_52101-36-7,COC(=O)c1occ(c1c1ccccc1)c1ccccc1,0
-hansen_25843-45-2,CN=[N+](C)[O-],1
-hansen_30039-44-2,CCC(=O)OCc1ccc(cc1)[N+](=O)[O-],1
-hansen_88-85-7,CCC(c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-])C,0
-hansen_83996-50-3,CSCC[C@@H](C(=O)OCC)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)F)N)Cc1cccc(c1)N(CCCl)CCCl,1
-hansen_23102-68-3,O1C2C1c1cscc1-c1c2csc1,1
-hansen_62895-88-9,CC(OC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OC(C)C)N)C,0
-hansen_113163-21-6,OC1C=Cc2c(C1O)ccc1c2nccc1,1
-hansen_25082-33-1,c1ccc2c(c1)cc1c(c2)c2cnccc2cc1,1
-hansen_1143-38-0,Oc1cccc2c1C(=O)c1c(C2)cccc1O,0
-hansen_479-27-6,Nc1cccc2c1c(N)ccc2,1
-hansen_158366-45-1,CC(=O)c1cccn1[N+](=O)[O-],1
-hansen_100-53-8,SCc1ccccc1,0
-hansen_133561-39-4,Nc1ccc(c(c1)[N+](=O)[O-])c1ccc(cc1N)[N+](=O)[O-],1
-hansen_42522-72-5,Brc1cc2c(c(c1O)Br)Oc1c(C32OS(=O)(=O)c2c3cccc2)cc(c(c1Br)O)Br,1
-hansen_103-89-9,CC(=O)Nc1ccc(cc1)C,1
-hansen_122365-34-8,Nc1ncnc2c1ncn2C(c1ccccc1)c1ccccc1,1
-hansen_69304-47-8,Br/C=C/c1cn(C2CC(C(O2)CO)O)c(=O)[nH]c1=O,0
-hansen_220168-52-5,N#Cc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,1
-hansen_118353-05-2,OCC1C=CC(C1)n1cnc2c1nc(N)nc2O,0
-hansen_55481-88-4,COC(=O)c1c2C=CC(Oc2c2c(c1O)cccc2)(C)C,1
-hansen_1663-39-4,C=CC(=O)OC(C)(C)C,0
-hansen_4368-56-3,Nc1c2C(=O)c3ccccc3C(=O)c2c(cc1S(=O)(=O)O)NC1CCCCC1,0
-hansen_NOCAS_M160,CCCC[C@@H]1C(=O)N(N(C1=O)c1ccc(cc1)O)c1ccccc1,1
-hansen_10318-26-0,BrC[C@H]([C@@H]([C@@H]([C@H](CBr)O)O)O)O,1
-hansen_161697-01-4,CCc1nc2c(nc1CC)ccc(c2C)NC,1
-hansen_60110-37-4,O=C(C(Br)(C)C)NCc1ccccc1,0
-hansen_868-85-9,COP(=O)OC,1
-hansen_127-07-1,NC(=O)NO,1
-hansen_28553-12-0,CC(CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C)C,0
-hansen_14953-63-0,[O-][N+](=O)c1n(C)cnc1c1ccccc1,1
-hansen_98033-23-9,CNc1ccc2c(c1)c1cc(O)ccc1cc2,1
-hansen_93261-88-2,BrCC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],1
-hansen_91-44-1,CCN(c1ccc2c(c1)oc(=O)cc2C)CC,0
-hansen_146795-39-3,Clc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],1
-hansen_602-64-2,O=C1c2ccccc2C(=O)c2c1c(O)c(c(c2)O)O,1
-hansen_591-35-5,Oc1cc(Cl)cc(c1)Cl,0
-hansen_24463-19-2,ClCc1c2ccccc2cc2c1cccc2,1
-hansen_103630-35-9,CC(=C)C1CCC(=C)C2C1C=C(C)C(=O)C1=C2C(=O)C(C1)(C)O,0
-hansen_109-65-9,CCCCBr,1
-hansen_95-93-2,Cc1cc(C)c(cc1C)C,0
-hansen_136861-01-3,Nc1cc(N)c(c(c1)[N+](=O)[O-])c1ccccc1,1
-hansen_146795-32-6,CCc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],1
-hansen_22216-66-6,COc1ccc(cc1)[Se]c1ccc(cc1)OC,1
-hansen_NOCAS_M248,c1cc2[C@@H]3N[C@@H]3c3c2c(c1)ccc3,1
-hansen_129-79-3,O=C1c2cc(ccc2-c2c1cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],1
-hansen_119-41-5,CCOC(=O)COc1ccc2c(c1)oc(cc2=O)c1ccccc1,0
-hansen_NOCAS_M318,Clc1ccc(cc1)CO[C@@H](c1ccc(cc1Cl)Cl)Cn1cncc1,0
-hansen_110-02-1,c1cccs1,0
-hansen_420-46-2,CC(F)(F)F,0
-hansen_688-74-4,CCCCOB(OCCCC)OCCCC,0
-hansen_105-95-3,O=C1CCCCCCCCCCCC(=O)OCCO1,0
-hansen_13010-07-6,[O-][N+](=O)NC(=N)N(N=O)CCC,1
-hansen_64-18-6,OC=O,0
-hansen_76002-91-0,OCC(COc1ccc(cc1)C(c1ccc(cc1)OCC1CO1)(C)C)O,1
-hansen_97-23-4,Oc1ccc(cc1Cc1cc(Cl)ccc1O)Cl,1
-hansen_74-83-9,CBr,1
-hansen_96346-61-1,OCCCC1(O)CCC2C1(C)CC(c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CCC21,0
-hansen_97975-05-8,ClCCCc1cn(C2CC(C(O2)CO)O)c(=O)[nH]c1=O,0
-hansen_123-72-8,CCCC=O,0
-hansen_106532-68-7,CCCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCCC,1
-hansen_54357-08-3,Cc1ccc2c(c1)ccc(c2)[N+](=O)[O-],1
-hansen_1124-33-0,[O-][n+]1ccc(cc1)[N+](=O)[O-],1
-hansen_87-68-3,ClC(=C(Cl)Cl)C(=C(Cl)Cl)Cl,0
-hansen_25003-82-1,n1ccc2c(c1)cc1c(c2)c2ccccc2cc1,1
-hansen_61064-66-2,ClNc1ccc2-c3c(Cc2c1)cccc3,1
-hansen_98046-75-4,[O-][N+](=O)c1cnc2c(c1)nc1n2cccc1,1
-hansen_18028-55-2,Cc1ccc(c2c1c1ccccc1[nH]2)C,1
-hansen_92130-56-8,Cc1cc2ncccc2c2c1n(C)cn2,0
-hansen_480-54-6,C/C=C\1/C[C@H](C)[C@@](O)(CO)C(=O)OCC2=CCN3[C@@H]2[C@H](OC1=O)CC3,1
-hansen_712-12-9,CC(CNc1snc2c1cccc2)C,0
-hansen_42135-22-8,[O-][N+](=O)c1ccc2c(-c3ccccc3C2=O)c1,1
-hansen_153-78-6,Nc1ccc2-c3c(Cc2c1)cccc3,1
-hansen_17309-86-3,CN(c1ccc(cc1)N=Nc1ccc2c(c1)cn[nH]2)C,1
-hansen_49852-85-9,BrCc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,1
-hansen_836-37-3,[O-][N+](=O)c1ccc(o1)/C=C(/C(=O)OC)\C#N,1
-hansen_15254-64-5,Cc1cc(C)c2c(c1)ccc1c2cccc1,1
-hansen_619-17-0,OC(=O)c1ccc(cc1N)[N+](=O)[O-],1
-hansen_513-85-9,CC(C(O)C)O,0
-hansen_41340-19-6,CCC1(OCCc2c1[nH]c1c2cccc1C)CC(=O)O,0
-hansen_3811-71-0,Nc1cc(N)c(cc1N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O)N=Nc1ccc(cc1)S(=O)(=O)O,1
-hansen_95969-40-7,[O-][N+]1(C)CCC(=CC1)c1ccccc1,0
-hansen_6534-28-7,CC(=O)Nc1ccc(c2c1C(=O)c1c(C2=O)cccc1)NC(=O)C,1
-hansen_357-57-3,COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CCN2[C@@H]4C[C@H]4[C@H]3[C@@H](CC1=O)OCC=C4C2,0
-hansen_83407-42-5,CNc1c(C)cc2c(c1N)cccn2,0
-hansen_24953-56-8,COc1nncc2c1cccc2,0
-hansen_83905-01-5,CCC1OC(=O)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(OC2OC(C)CC(C2O)N(C)C)C(CC(CN(C(C(C1(C)O)O)C)C)C)(C)O,0
-hansen_321-14-2,Clc1ccc(c(c1)C(=O)O)O,0
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-hansen_3173-72-6,O=C=Nc1cccc2c1cccc2N=C=O,0
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-hansen_505-29-3,S1CCSCC1,1
-hansen_NOCAS_M67,O=C([C@@H]1OC1(C(=O)N)C(=O)N)c1ccccc1,1
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-hansen_75-87-6,O=CC(Cl)(Cl)Cl,1
-hansen_16974-10-0,CCCCCC/C=C\CCCCCCOC(=O)C,0
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-hansen_3025-52-3,CCN(c1ccc(cc1)N=Nc1ccc(cc1)[N+](=O)[O-])CC,1
-hansen_580-15-4,Nc1ccc2c(c1)cccn2,0
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-hansen_3689-24-5,CCOP(=S)(OP(=S)(OCC)OCC)OCC,1
-hansen_34433-31-3,O/N=C/c1cccc[n+]1COC[n+]1ccc(cc1)C(=O)N,0
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-hansen_1116-40-1,CC(CN(CC(C)C)CC(C)C)C,0
-hansen_153654-34-3,[O-][N+](=O)c1c2[nH]c3c(c2cc(c1O)[N+](=O)[O-])cccc3,1
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-hansen_83-38-5,O=Cc1c(Cl)cccc1Cl,0
-hansen_102408-26-4,CNc1nc2c(n1C)ccc1c2cccn1,1
-hansen_66860-80-8,ClCC1(C(Cl)Cl)C2C(C(C1(C(Cl)Cl)C(C2Cl)Cl)Cl)Cl,0
-hansen_107-15-3,NCCN,1
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-hansen_645-09-0,NC(=O)c1cccc(c1)[N+](=O)[O-],1
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-hansen_100-65-2,ONc1ccccc1,1
-hansen_153654-32-1,[O-][N+](=O)c1ccc2c(c1)c1cc([N+](=O)[O-])c(c(c1[nH]2)[N+](=O)[O-])O,1
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-hansen_91-23-6,COc1ccccc1[N+](=O)[O-],1
-hansen_119-39-1,Oc1nncc2c1cccc2,0
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-hansen_809-73-4,CC(C1=CC(=CC=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)C=C(C1=O)C(C)(C)C)(C)C,0
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-hansen_NOCAS_M260,[O-][N+](=O)[C@@H](CC)Cl,1
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-hansen_40855-12-7,[O-][N+](=O)c1ccc(o1)CNCCO,1
-hansen_149396-88-3,COc1cc(c(c(c1)C(C)(C)C)O)C(c1ncc(n1C)[N+](=O)[O-])O,1
-hansen_88-89-1,[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O,1
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-hansen_122-48-5,COc1cc(CCC(=O)C)ccc1O,0
-hansen_134-72-5,CN[C@@H]([C@H](c1ccccc1)O)C,0
-hansen_62-31-7,NCCc1ccc(c(c1)O)O,1
-hansen_18829-55-5,CCCC/C=C/C=O,1
-hansen_58086-32-1,COC(=O)c1cccc2c1c(=O)c1c(o2)c2c(cc1OC)O[C@H]1[C@H]2C=CO1,1
-hansen_1845-30-3,CC1=CC(O)C2CC1C2(C)C,0
-hansen_163930-30-1,ICCc1ccc(cc1)OCc1ccccc1,1
-hansen_143603-75-2,CCOC(=O)c1[nH]c2c(c1/N=C/c1cc(OC)c(c(c1)OC)OC)cccc2,1
-hansen_NOCAS_M101,O=C1N[C@H](Nc2c1cccc2)c1ccc(s1)[N+](=O)[O-],1
-hansen_129401-88-3,C=CC(=O)N1CCN(CC1)c1ccccc1,0
-hansen_39565-00-9,CC(=O)c1ccc(s1)[N+](=O)[O-],1
-hansen_290-37-9,n1ccncc1,0
-hansen_2523-37-7,CC1c2ccccc2-c2c1cccc2,1
-hansen_79-94-7,CC(c1cc(Br)c(c(c1)Br)O)(c1cc(Br)c(c(c1)Br)O)C,0
-hansen_107-25-5,COC=C,0
-hansen_152-84-1,OC1C(OC(C(C1O)O)COC1OCC(C(C1O)O)O)Oc1ccc2c(c1O)C(=O)c1c(C2=O)cccc1,0
-hansen_79-43-6,ClC(C(=O)O)Cl,1
-hansen_82-05-3,O=C1c2ccccc2-c2c3c1cccc3ccc2,1
-hansen_111712-47-1,BrC(C(Br)C)COP(=O)(OCC(C(Br)C)Br)OCC(C(Br)C)Br,1
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-hansen_80-82-0,[O-][N+](=O)c1ccccc1S(=O)(=O)O,0
-hansen_106-30-9,CCCCCCC(=O)OCC,0
-hansen_39638-32-9,CC(OC(Cl)(C)C)(Cl)C,1
-hansen_4792-83-0,CCOc1ccc(cc1)N=[N+](c1ccc(cc1)OCC)[O-],0
-hansen_78448-07-4,Oc1ccc2c(c1)ccc1c2c2c([nH]1)ccc1c2cccc1,1
-hansen_82-50-8,O=C1c2c(cccc2C(=O)c2c1cccc2S(=O)(=O)O)[N+](=O)[O-],1
-hansen_NOCAS_M174,CC(=C)C(=O)OC[C@H]1CO1,1
-hansen_125157-98-4,Cc1ccc2c(c1)C1C(=N2)N(C)c2c(C1C)cccc2,1
-hansen_21638-36-8,[O-][N+](=O)c1ccc(o1)/C=N/N1CC(NC1=O)C,1
-hansen_109621-21-8,COC(=O)C(NC(=O)C)CSCC(c1ccccc1)Br,0
-hansen_72-57-1,Cc1cc(ccc1N=Nc1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)N=Nc1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,1
-hansen_140-49-8,ClCC(=O)c1ccc(cc1)NC(=O)C,1
-hansen_2832-19-1,OCNC(=O)CCl,0
-hansen_497841-28-8,ClCc1ccc(cc1)c1nc2-c(c1)c([nH]cn2)N[C@@H](c1ccccc1)C,1
-hansen_96910-73-5,O=CC1=CC2(O)CC(CC2C(C=C1C=O)C)(C)C,1
-hansen_25956-17-6,COc1cc(c(cc1N=Nc1c(O)ccc2c1ccc(c2)S(=O)(=O)O)C)S(=O)(=O)O,0
-hansen_57816-08-7,c1ccc2c(c1)c1Cc3ccc4c(c3Cc1cc2)cccc4,1
-hansen_1149-99-1,OCC1(C)C=C2C(=C(C)C3(C(C2=O)(C)O)CC3)C1O,1
-hansen_624-76-0,OCCI,1
-hansen_14882-94-1,C=CC(c1cc2cc3CC(Oc3cc2oc1=O)C(OC(=O)C)(C)C)(C)C,0
-hansen_100-03-8,Clc1ccc(cc1)S(=O)O,0
-hansen_57-41-0,O=C1NC(=O)NC1(c1ccccc1)c1ccccc1,0
-hansen_835-64-3,Oc1ccccc1c1nc2c(o1)cccc2,0
-hansen_68268-44-0,ClCCC(=O)N(c1snc2c1cccc2)CC(C)C,0
-hansen_91-93-0,O=C=Nc1ccc(cc1OC)c1ccc(c(c1)OC)N=C=O,1
-hansen_74940-61-7,ClCC(=O)OC(P(=O)(OC)OC)C(Cl)(Cl)Cl,0
-hansen_393-77-1,[O-][N+](=O)c1cc(cc(c1O)[N+](=O)[O-])C(F)(F)F,0
-hansen_62018-92-2,CCCCN(CCC(=O)O)N=O,1
-hansen_25074-67-3,Clc1ccc2c(c1)oc1c2cccc1,1
-hansen_124878-08-6,COc1cc(OC)c(cc1C1OC1C)OC,1
-hansen_119-26-6,NNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],1
-hansen_522-06-5,COc1c2OCOc2cc2c1nc1occc1c2OC,1
-hansen_119-15-3,Oc1ccc(cc1)Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],1
-hansen_75464-10-7,CCC(=O)C1c2cccc(c2C(=O)c2c1cccc2O)O,1
-hansen_3626-29-7,OS(=O)(=O)c1ccc2c(c1)c(N=Nc1ccc(c(c1)C(=O)O)O)ccc2N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,1
-hansen_158729-30-7,[O-][N+](=O)c1cc(ccc1Cl)NS(=O)(=O)c1cccc2c1nccc2,0
-hansen_67274-52-6,CC(=O)N(c1ccc(cc1)[N+](=O)[O-])O,1
-hansen_334-48-5,CCCCCCCCCC(=O)O,0
-hansen_96563-01-8,NC(C(=O)O)CSC(C(Cl)F)(F)F,0
-hansen_482-27-9,COc1c2ccc(=O)oc2c(c2c1cco2)OC,0
-hansen_1563-66-2,CNC(=O)Oc1cccc2c1OC(C2)(C)C,0
-hansen_108283-47-2,NC(C(=O)OC(C)(C)C)CN=N#N,1
-hansen_94-80-4,CCCCOC(=O)COc1ccc(cc1Cl)Cl,0
-hansen_634-67-3,Nc1ccc(c(c1Cl)Cl)Cl,0
-hansen_31647-36-6,Cc1cc2cccc3c2c2c1cc1ccccc1c2cc3,1
-hansen_1574-41-0,C/C=C\C=C,0
-hansen_611-33-6,Clc1cccc2c1nccc2,1
-hansen_65271-80-9,OCCNCCNc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)NCCNCCO,1
-hansen_341-69-5,CN(CCO[C@@H](c1ccccc1C)c1ccccc1)C,0
-hansen_NOCAS_M231,CC[C@]1(OCCc2c1[nH]c1c2ccc(c1CC)O)CC(=O)O,1
-hansen_57-83-0,O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@@H]1CC[C@@H]2C(=O)C)C)C,0
-hansen_603-02-1,[O-][N+](=O)c1ccc(c(c1C)[N+](=O)[O-])C,1
-hansen_6300-61-4,Nc1cc(N)c(cc1N=Nc1ccc(cc1)S(=O)(=O)O)C,1
-hansen_5141-20-8,CC[N+](=C1C=CC(=C(c2ccc(cc2)S(=O)(=O)O)c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)C=C1)Cc1cccc(c1)S(=O)(=O)O,1
-hansen_13177-26-9,Nc1cc2cccc3-c4c(-c(c1)c23)cccc4,1
-hansen_10567-95-0,Cc1c2cc(C)c3c(c2nc2c1cccc2)cccc3,1
-hansen_488-11-9,O=C/C(=C(/C(=O)O)\Br)/Br,1
-hansen_141-84-4,O=C1CSC(=S)N1,0
-hansen_58632-95-4,N#C/C(=N\OC(=O)OC(C)(C)C)/c1ccccc1,0
-hansen_106-95-6,BrCC=C,1
-hansen_314-40-9,CCC(n1c(=O)[nH]c(c(c1=O)Br)C)C,0
-hansen_53757-28-1,[O-][N+](=O)c1ccc(o1)c1cscn1,1
-hansen_2315-20-0,NC(=N)NN=C(/C=C\c1ccc(o1)[N+](=O)[O-])/C=C\c1ccc(o1)[N+](=O)[O-],1
-hansen_NOCAS_M526,O=S1OC[C@H]2[C@H](CO1)[C@@]1(C([C@@]2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,0
-hansen_120-82-1,Clc1ccc(c(c1)Cl)Cl,0
-hansen_NOCAS_M456,N#C[C@@H]1COCCN1[C@H]1C[C@@H](O[C@H]([C@H]1O)C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)CO,0
-hansen_98736-45-9,O=NN(Cc1cccc(c1)OC)C,1
-hansen_13007-92-6,[C-]#[O+],0
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-hansen_NOCAS_M460,[O-][N@@+]1(C)CCC[C@@H]1c1cccnc1,0
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-hansen_NOCAS_M218,BrC[C@H](COP(=O)(OC[C@@H](CBr)Br)OC[C@@H](CBr)Br)Br,1
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-hansen_62641-69-4,O[C@@H]1C=Cc2c([C@@H]1O)c1cc3ccccc3c(c1cc2)C,1
-hansen_146795-30-4,Cc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],1
-hansen_NOCAS_M161,Cc1ccccc1OC[C@H]1CO1,1
-hansen_114-26-1,CNC(=O)Oc1ccccc1OC(C)C,1
-hansen_96196-27-9,Nc1ccc(c(c1)C)c1ccc(cc1C)N,1
-hansen_134-09-8,CC1CCC(C(C1)OC(=O)c1ccccc1N)C(C)C,0
-hansen_668-17-7,COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,1
-hansen_78-79-5,C=CC(=C)C,0
-hansen_98911-07-0,ON(c1ccc(cc1)Oc1ccc(cc1)Cl)C(=O)C,1
-hansen_51481-10-8,OCC12C(C=C(C(=O)C1O)C)OC1C3(C2(C)CC1O)CO3,0
-hansen_497-19-8,OC(=O)O,0
-hansen_3811-49-2,COP1(=S)OCc2c(O1)cccc2,1
-hansen_NOCAS_M325,C=C[C@@H]1CC[C@@]2([C@H](C1)O2)C,0
-hansen_NOCAS_M352,ClC[C@H](OP(=O)(O[C@@H](CCl)C)O[C@@H](CCl)C)C,0
-hansen_11041-12-6,CCC(c1ccc(cc1)C[N+](C)(C)C)CC(c1cccc(c1)C(CC)C)C,0
-hansen_1874-23-3,[O-][N+](=O)c1ccc(o1)C(=O)OC,1
-hansen_133831-61-5,ClC(=C(SSc1ccccc1[N+](=O)[O-])F)Cl,1
-hansen_96-50-4,Nc1nccs1,1
-hansen_84174-21-0,O=NN(Cc1ccc(cc1)F)C,1
-hansen_87-61-6,Clc1c(Cl)cccc1Cl,0
-hansen_1689-89-0,N#Cc1cc(I)c(c(c1)[N+](=O)[O-])O,0
-hansen_122-99-6,OCCOc1ccccc1,0
-hansen_94-11-1,CC(OC(=O)COc1ccc(cc1Cl)Cl)C,0
-hansen_6789-88-4,CCCCCCOC(=O)c1ccccc1,0
-hansen_42576-02-3,COC(=O)c1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)Cl,1
-hansen_609-20-1,Nc1cc(Cl)c(c(c1)Cl)N,1
-hansen_6923-22-4,CNC(=O)/C=C(/OP(=O)(OC)OC)\C,1
-hansen_NOCAS_M446,COC(=C1C(=NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OC/C=C/c1ccccc1)C)C)O,0
-hansen_99520-59-9,Oc1ccc2-c3c4c(-c2c1)ccc1c4c2c(c3)cccc2cc1,1
-hansen_481-42-5,CC1=CC(=O)c2c(C1=O)cccc2O,1
-hansen_638-07-3,CCOC(=O)CC(=O)CCl,0
-hansen_67-72-1,ClC(C(Cl)(Cl)Cl)(Cl)Cl,0
-hansen_13301-61-6,N#CCCN(c1ccc(cc1)N=Nc1c(Cl)cc(cc1Cl)[N+](=O)[O-])CC,1
-hansen_3048-64-4,C=CC1CC2CC1C=C2,0
-hansen_135-20-6,O=NN(c1ccccc1)O,1
-hansen_107-68-6,CNCCS(=O)(=O)O,0
-hansen_156-43-4,CCOc1ccc(cc1)N,1
-hansen_NOCAS_M43,n1sc2c(c1)cc(cc2)OC[C@H]1CO1,1
-hansen_NOCAS_M29,CCN(CCC[C@H](Nc1ccnc2c1ccc(c2)Cl)C)CC,1
-hansen_73819-63-3,NC(=N)c1ccc2c(c1)[nH]c(c2)C(=N)N,0
-hansen_NOCAS_M421,C[C@H](c1ccccc1)O,0
-hansen_NOCAS_M258,CC[C@]1(OCCc2c1[nH]c1c2cc(cc1CC)O)CC(=O)O,1
-hansen_9000-30-0,COC1C(COC2OC(CO)C(C(C2O)O)O)OC(C(C1O)O)COCC1C(CO)OC(C(C1O)O)CC,0
-hansen_530-62-1,O=C(n1cncc1)n1cncc1,0
-hansen_557-30-2,O/N=C/C=N/O,0
-hansen_5418-93-9,Clc1ccc2c(c1)nc([nH]2)N,0
-hansen_7226-23-5,O=C1N(C)CCCN1C,0
-hansen_135325-62-1,BrCc1ccc2c3c1-c1ccccc1-c3ccc2,1
-hansen_106532-74-5,Clc1ccc(cc1)C(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1ccc(cc1)Cl,1
-hansen_51856-71-4,[O-][N+](=Nc1cc(cc(c1C)[N+](=O)[O-])[N+](=O)[O-])c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,1
-hansen_86334-96-5,O=NN(C(C(=O)O)C)CC1(O)CCC(C(C1O)O)O,0
-hansen_111-90-0,OCCOCCOCC,0
-hansen_156-10-5,O=Nc1ccc(cc1)Nc1ccccc1,1
-hansen_1466-88-2,O=C/C=C/c1ccccc1[N+](=O)[O-],1
-hansen_42583-46-0,COc1cc2OC3C(c2c2c1c1CCC(=O)c1c(=O)o2)C1C(O3)O1,1
-hansen_3328-25-4,OOC12C=CC3C(C2(C)CCC(C1)O)CCC1(C3CCC1C(CCCC(C)C)C)C,1
-hansen_5464-79-9,COc1cccc2c1nc(s2)N,1
-hansen_2402-78-0,Clc1cccc(n1)Cl,0
-hansen_78-81-9,NCC(C)C,0
-hansen_63041-77-0,Cc1cccc2c1cc1ccc3c4c1c2ccc4ccc3,1
-hansen_5306-96-7,Cc1c(N)ccc(c1C)N,0
-hansen_80440-44-4,O=C1c2c3ccccc3ccc2-c2c3c1cccc3ccc2,0
-hansen_633-65-8,COc1c(OC)ccc2c1c[n+]1CCc3c(-c1c2)cc1c(c3)OCO1,0
-hansen_1147-55-3,CC(=O)Nc1ccc2-c3c(Cc2c1)cccc3O,1
-hansen_94-74-6,OC(=O)COc1ccc(cc1C)Cl,0
-hansen_17024-17-8,[O-][N+](=O)c1cccc2c1ccc1c2cccc1,1
-hansen_96-18-4,ClCC(CCl)Cl,1
-hansen_148021-80-1,OC1C=Cc2c(C1O)ccc1c2ccc2c1CCC2=O,1
-hansen_4651-67-6,OC1CCC2(C(C1)CC(=O)C1C2CCC2(C1CCC2C(CCC(=O)O)C)C)C,0
-hansen_2243-78-9,Nc1ccc(cc1)c1ccc(cc1[N+](=O)[O-])N,1
-hansen_142762-84-3,COC(=O)C1CSC2N1C(=O)C(=C2Cl)Cl,1
-hansen_58957-92-9,OC1C(N)CC(OC1C)OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2)C(=O)C,1
-hansen_448-19-1,COc1cc(F)ccc1[N+](=O)[O-],1
-hansen_29700-20-7,OCc1ccc(o1)c1[nH]ccc2-c1nc1c2cccc1,1
-hansen_131119-02-3,ClCCOC(=O)c1[n+]([O-])nnc2c1n(C)c1c2cccc1,1
-hansen_179073-71-3,Cc1ccc2c3c1CC(c3c1c(c2)c2ccccc2cc1)OS(=O)(=O)O,1
-hansen_174794-16-2,CCC(=O)OCc1cccc(c1)[N+](=O)[O-],0
-hansen_578-68-7,Nc1ccnc2c1cccc2,0
-hansen_13394-86-0,Cc1cc(ccc1N)c1ccccc1C,1
-hansen_64-02-8,OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O,0
-hansen_89873-24-5,N#N=Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,1
-hansen_39081-15-7,Oc1cccc2c1cc1c(c2)c2ccccc2c2c1cccc2,1
-hansen_915-67-3,Oc1c(N=Nc2ccc(c3c2cccc3)S(=O)(=O)O)c2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0
-hansen_131-53-3,COc1ccc(c(c1)O)C(=O)c1ccccc1O,1
-hansen_4130-42-1,CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C,0
-hansen_157730-35-3,Cn1c(N)nc2c1cc1ccncc1n2,1
-hansen_16533-72-5,OC(=O)C1OC1C(=O)O,0
-hansen_96-45-7,S=C1NCCN1,1
-hansen_3096-62-6,ONc1cccc(c1C)C,1
-hansen_95-95-4,Clc1cc(Cl)c(cc1O)Cl,0
-hansen_58917-91-2,Oc1cc2cccc3c2c2c1=C(O)C14C(c2cc3)(O4)CCCC1,1
-hansen_112575-92-5,O[C@H]1C=C2c3c([C@@H]1O)cccc3-c1c2cc2ccccc2c1,1
-hansen_521-61-9,COc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C,1
-hansen_482-44-0,CC(=CCOc1c2occc2cc2c1oc(=O)cc2)C,1
-hansen_88-17-5,Nc1ccccc1C(F)(F)F,0
-hansen_115664-58-9,Oc1ccc2-c3c4c(-c2c1)cccc4c(cc3)[N+](=O)[O-],1
-hansen_99520-66-8,Oc1cc2ccc3-c4c(-c5c3c2c2c1cccc2c5)cccc4,0
-hansen_69527-46-4,N#CC(=Cc1ccc(o1)[N+](=O)[O-])C#N,1
-hansen_313-67-7,COc1cccc2c1cc([N+](=O)[O-])c1c2c2OCOc2cc1C(=O)O,1
-hansen_148174-23-6,ClCCC(=O)/N=c/1\sn(c2c1cccc2)C(=O)CCCl,0
-hansen_5329-15-7,COc1cc(N)ccc1NC(=O)C,1
-hansen_6309-46-2,OCc1ccc(cc1)OC(=O)C,0
-hansen_NOCAS_M66,[N-]=[N+]=NC[C@@H](CO)O,1
-hansen_28434-86-8,Nc1ccc(cc1Cl)Oc1ccc(c(c1)Cl)N,1
-hansen_17796-82-6,O=C1N(SC2CCCCC2)C(=O)c2c1cccc2,0
-hansen_62826-28-2,COc1ccccc1CC1CO1,1
-hansen_146177-64-2,Cc1cc2c(c3c1ncc(n3)c1ccccc1)nc(n2C)N,1
-hansen_101-70-2,COc1ccc(cc1)Nc1ccc(cc1)OC,0
-hansen_55621-29-9,CCCCN(C[C@@H](CC)O)N=O,1
-hansen_18409-46-6,O=C/C=C/C=C/C=O,1
-hansen_160543-15-7,OCc1c2ccc3c(c2nc2c1cc(C)cc2)C=CC(C3O)O,1
-hansen_108-99-6,Cc1cccnc1,0
-hansen_100-37-8,OCCN(CC)CC,0
-hansen_100593-23-5,O=Nc1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],1
-hansen_14090-00-7,COc1c(N)cc(c(c1C)N)C,0
-hansen_NOCAS_M208,OC[C@H]([C@H]([C@H]([C@H]([C@H]1SCCN1N=O)O)O)O)O,1
-hansen_143603-79-6,CCOC(=O)c1[nH]c2c(c1/N=C/c1ccc(cc1)NC(=O)C)cccc2,1
-hansen_106532-78-9,[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccc(cc1)[N+](=O)[O-])/sn2C(=O)c1ccc(cc1)[N+](=O)[O-],1
-hansen_500-66-3,CCCCCc1cc(O)cc(c1)O,0
-hansen_10161-33-8,O=C1CCC2=C3C=CC4(C(C3CCC2=C1)CCC4O)C,0
-hansen_24225-71-6,CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)Nc1ccc2-c3c(Cc2c1)cccc3,1
-hansen_389104-55-6,Nc1ccc2c(c1C(C)(C)C)cccc2,0
-hansen_75776-00-0,CNc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,1
-hansen_1629-58-9,CCC(=O)C=C,1
-hansen_97509-27-8,O[C@@H]1C=Cc2c([C@H]1O)cc1c(c2[N+](=O)[O-])cccc1,1
-hansen_1679-02-3,Cc1ccc2c(c1)c1ccc3c(c1cc2)ccc1c3cccc1C,0
-hansen_372-47-4,Fc1cccnc1,0
-hansen_144651-75-2,OC(=O)C1NC(Cc2ccccc2O)c2c(C1)c1ccccc1[nH]2,0
-hansen_593-56-6,CON,0
-hansen_104-87-0,O=Cc1ccc(cc1)C,0
-hansen_132059-52-0,BrC(C1=C(Cl)C(=O)OC1O)Br,1
-hansen_456-27-9,N#[N+]c1ccc(cc1)[N+](=O)[O-],1
-hansen_7470-44-2,C1Oc2c(O1)cc(cc2)C[C@@H]1CO1,1
-hansen_518-83-2,Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)cccc1,1
-hansen_1122-54-9,CC(=O)c1ccncc1,0
-hansen_81924-79-0,CCN(c1cc(NC(=O)C)c(cc1OC)N=Nc1ccc(cc1)[N+](=O)[O-])CC,1
-hansen_35282-72-5,ClCc1cccc(c1)N=Nc1ccc(cc1)N(C)C,1
-hansen_80984-66-3,N1C2C1c1cccc3c1-c1c2cccc1C1C3N1,1
-hansen_17413-38-6,COc1cc(O)cc2c1cc([N+](=O)[O-])c1c2c2OCOc2cc1C(=O)O,0
-hansen_39115-11-2,OC[C@H]1O[C@@H](Oc2ccc(c3c2C(=O)c2ccccc2C3=O)O)[C@@H]([C@H]([C@@H]1O)O)O,1
-hansen_75-38-7,FC(=C)F,1
-hansen_67-20-9,O=C1NC(=O)N(C1)/N=C/c1ccc(o1)[N+](=O)[O-],1
-hansen_114-83-0,CC(=O)NNc1ccccc1,1
-hansen_2876-22-4,Nc1cccc2c1nc1ccccc1n2,1
-hansen_749-49-5,C=CC1CN2CCC1CC2C(c1ccnc2c1cc(OC)cc2)OC(=O)C(O)C,0
-hansen_142438-64-0,COC(=O)C1=C(CC)C(OC1=O)C,1
-hansen_635-27-8,Clc1cccc2c1cccn2,1
-hansen_NOCAS_M230,O=NN(CC(=O)C)C[C@H](O)C,1
-hansen_362-74-3,CCCC(=O)OC1C2OP(=O)(O)OCC2OC1n1cnc2c1ncnc2NC(=O)CCC,0
-hansen_3074-00-8,O=C1c2cccc3c2c2c4c1cccc4ccc2cc3,0
-hansen_108-44-1,Cc1cccc(c1)N,0
-hansen_60129-67-1,OCCN(c1ccc(cc1)N=Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])CCO,1
-hansen_16813-36-8,O=NN1CCC(=O)NC1=O,1
-hansen_86853-93-2,O=C1c2ccccc2-c2c1ccc1c2c2ccccc2cc1,0
-hansen_423-39-2,FC(C(C(C(I)(F)F)(F)F)(F)F)(F)F,0
-hansen_40911-07-7,CCCCN(CC[C@H](O)C)N=O,1
-hansen_613-12-7,Cc1ccc2c(c1)cc1c(c2)cccc1,1
-hansen_112965-21-6,OC1CC(O)C(=C)/C(=C/C=C/2\CCCC3(C2CCC3C(/C=C/C(C2CC2)O)C)C)/C1,0
-hansen_121-89-1,CC(=O)c1cccc(c1)[N+](=O)[O-],1
-hansen_124-70-9,C=C[Si](Cl)(Cl)C,1
-hansen_546-80-5,O=C1C[C@]2([C@@H]([C@@H]1C)C2)C(C)C,0
-hansen_71339-55-4,OCc1c2ccccc2c(c2c1cccc2)C,1
-hansen_36504-68-4,c1cc2ccc3c4c2c(c1)ccc4cc1c3[C@@H]2O[C@@H]2CC1,1
-hansen_610-48-0,Cc1cccc2c1cc1ccccc1c2,0
-hansen_3958-60-9,BrCc1ccccc1[N+](=O)[O-],0
-hansen_116911-14-9,OCC(C(c1ccccc1)N=N#N)O,1
-hansen_60-29-7,CCOCC,0
-hansen_614-48-2,O=C(c1ccccc1)/C=C/c1cccc(c1)[N+](=O)[O-],0
-hansen_4261-16-9,[O-][n+]1cnc2c(c1N)ncn2Cc1ccccc1,1
-hansen_933-88-0,ClC(=O)c1ccccc1C,1
-hansen_64811-02-5,OS(=O)(=O)Oc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,0
-hansen_NOCAS_M10,CCOc1ccc2c(c1)c(N)c1c(n2)cc(cc1)N,1
-hansen_244775-76-6,CCCON(C(=O)c1ccccc1)OC(=O)C,1
-hansen_1034-41-9,OC1C2(Cl)C3(C4(C1(Cl)C1(C2(C3(Cl)C(C41Cl)(Cl)Cl)Cl)Cl)Cl)Cl,0
-hansen_98-86-2,CC(=O)c1ccccc1,0
-hansen_52171-93-4,CC1=CCCc2c1cc(C)c1c2ccc2c1cccc2,1
-hansen_116355-83-0,CCCCC(C(C(OC(=O)CC(C(=O)O)CC(=O)O)CC(CC(CCCCC(CC(C(N)C)O)O)O)C)OC(=O)CC(C(=O)O)CC(=O)O)C,0
-hansen_336629-39-1,CCCOc1cc(c(cc1N/N=C(/C(=O)Nc1ccc(cc1)[N+](=O)[O-])\C(=O)C)OC)c1cc(OCCC)c(cc1OC)N/N=C(/C(=O)Nc1ccc(cc1)[N+](=O)[O-])\C(=O)C,1
-hansen_56438-59-6,COc1ccc(cc1)CCC1OC1,1
-hansen_4337-51-3,[O-][N+](=O)c1ccc2c(c1)s[nH]c2=O,1
-hansen_59-92-7,OC(=O)[C@@H](Cc1ccc(c(c1)O)O)N,1
-hansen_2634-33-5,Oc1nsc2c1cccc2,0
-hansen_523-50-2,O=c1ccc2c(o1)c1ccoc1cc2,0
-hansen_491-80-5,COc1ccc(cc1)c1coc2c(c1=O)c(O)cc(c2)O,0
-hansen_1503-91-9,ON(c1ccc(cc1)Cl)C(=O)C,0
-hansen_17177-50-3,OC(C1CO1)CO,1
-hansen_123-31-9,Oc1ccc(cc1)O,0
-hansen_98114-60-4,CCN=NO,1
-hansen_63358-49-6,CNC(=O)CC(C(=O)NC(c1ccc(cc1)O)C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C)N,0
-hansen_55022-75-8,O1C2C1C1N=NC2C2C1O2,0
-hansen_26541-56-0,CC(=O)ON(c1ccc(cc1)c1ccccc1)C(=O)C,1
-hansen_27729-98-2,Fc1ccc(cc1)C1OC1C(=O)c1ccccc1,0
-hansen_103-84-4,CC(=O)Nc1ccccc1,0
-hansen_102-81-8,CCCCN(CCCC)CCO,0
-hansen_99523-86-1,Cc1ccc2c(c1)c(N)sn2,1
-hansen_102408-25-3,Cn1c(N)nc2c1c1cccnc1cc2,1
-hansen_520-18-3,Oc1ccc(cc1)c1oc2cc(O)cc(c2c(=O)c1O)O,1
-hansen_NOCAS_M401,O=c1oc2cccc(c2cc1[C@@H]1CCc2c(C1)cccc2)O,0
-hansen_484-20-8,COc1c2ccc(=O)oc2cc2c1cco2,1
-hansen_13345-26-1,Oc1ccc2c(c1)cc1c3c2ccc2c3c(cc1)ccc2,1
-hansen_66452-61-7,CC(Sc1cc(ccc1N)Cc1ccc(c(c1)SC(C)C)N)C,1
-hansen_75-25-2,BrC(Br)Br,1
-hansen_54-21-7,OC(=O)c1ccccc1O,0
-hansen_13256-32-1,CN(C(=O)NC)N=O,1
-hansen_90098-04-7,Clc1ccc(cc1)C(=O)NC(C(=O)O)Cc1cc(O)nc2c1cccc2,0
-hansen_71807-56-2,C#CCNC(=NCCSCc1nc[nH]c1C)NC#N,0
-hansen_NOCAS_M152,CC(COC[C@@H]1OC1)(COC[C@@H]1OC1)C,1
-hansen_102-06-7,N=C(Nc1ccccc1)Nc1ccccc1,1
-hansen_5405-41-4,CCOC(=O)CC(O)C,0
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-hansen_19202-92-7,C[C@@H]1C[C@H]2OC(=O)[C@@]3([C@H]2[C@H]([C@@]2([C@H]1C=CC2=O)C)O[C@]3(C)O)C,0
-hansen_13379-35-6,COc1cc(O)c2c(c1)oc1c(c2=O)cc(cc1)OC,1
-hansen_94764-55-3,[O-][N+](=O)c1ccc2c(c1)sc1c2cccc1,1
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-hansen_33424-05-4,c1ccc2c(c1)cc(c1c2cccc1)[C@@H]1CO1,1
-hansen_67450-45-7,CCC(=O)N(C1CCCC1N(C)C)c1ccc(c(c1)Cl)Cl,0
-hansen_149396-90-7,Cc1cc(c(c(c1)C(C)(C)C)O)C(c1ncc(n1C)[N+](=O)[O-])O,0
-hansen_437-50-3,COc1cc(O)c2c(c1)oc1c(c2=O)cc(cc1)O,1
-hansen_112-80-1,CCCCCCCC/C=C/CCCCCCCC(=O)O,0
-hansen_34041-03-7,CN(C(=S)SNCCNSC(=S)N(C)C)C,1
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-hansen_2068-78-2,O=CN1c2cc(OC)c(cc2C23C1C(O)(C(=O)OC)C(OC(=O)C)C1(C3N(CC2)CC=C1)CC)C1(CC2CN(CCc3c1[nH]c1c3cccc1)CC(C2)(O)CC)C(=O)OC,0
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-hansen_10353-53-4,C=CCCC1CO1,1
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-hansen_97-99-4,OCC1CCCO1,0
-hansen_210245-96-8,OCC1OC(Oc2ccc(cc2)N=Nc2ccc(cc2)N(C)C)C(C(C1O)O)O,0
-hansen_92382-74-6,CCN([N+](=NO)[O-])CC,1
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-hansen_31120-85-1,CCOP(=O)(Oc1ccccc1C(=O)OC(C)C)NC(C)C,1
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-hansen_128753-93-5,OCC12OOC2(C)c2c(O1)cccc2,0
-hansen_1193-54-0,O=C1NC(=O)C(=C1Cl)Cl,1
-hansen_501-92-8,C=CCc1ccc(cc1)O,0
-hansen_140-88-5,CCOC(=O)C=C,0
-hansen_NOCAS_M9,ClC[C@@H](CBr)Br,1
-hansen_2431-96-1,CCN(C(=O)Cc1ccccc1)CC,0
-hansen_88-96-0,NC(=O)c1ccccc1C(=O)N,0
-hansen_107-21-1,OCCO,0
-hansen_106636-46-8,O=Nc1c(nc2n1cc(s2)C)c1ccc(cc1)[N+](=O)[O-],1
-hansen_158366-46-2,[O-][N+](=O)c1cc(n(c1C(=O)C)[N+](=O)[O-])[N+](=O)[O-],1
-hansen_145241-76-5,Fc1ccc2c(c1F)nccc2,1
-hansen_51357-79-0,Clc1ccc2c(c1)c(N)sn2,1
-hansen_113058-39-2,Oc1cccc2c1c1ccccc1c1c2cc2ccccc2c1,1
-hansen_71-33-0,O=c1nc[nH]c(=O)[nH]1,0
-hansen_125369-84-8,N#C/C(=C\C=C\c1ccccc1[N+](=O)[O-])/c1ccc(cc1)Br,1
-hansen_99-04-7,Cc1cccc(c1)C(=O)O,0
-hansen_2883-98-9,C/C=C/c1cc(OC)c(cc1OC)OC,1
-hansen_1875-48-5,NN1C(=O)c2c(C1=O)cccc2,0
-hansen_655-86-7,Nc1cc2nc3ccccc3nc2cc1N,1
-hansen_149862-57-7,CC(CCNc1snc2c1cccc2)C,0
-hansen_3416-21-5,Cc1ccc2c3c1CCc3c1c(-c3ccccc3C3C1O3)c2,1
-hansen_2458-12-0,OC(=O)c1ccc(c(c1)N)C,1
-hansen_15562-42-2,COc1ccc2c(-c3c(OC)c(OC)cc4c3c(C2=O)ncc4)c1,0
-hansen_62018-91-1,CCCCN(C[C@@H](CCO)O)N=O,1
-hansen_143922-96-7,Cc1c(N)cccc1N=[N+](c1cccc(c1C)N)[O-],1
-hansen_114838-69-6,O=CC1=C2CC(C[C@]2(O)[C@@H]([C@]2([C@]1(C=O)C2)C)OC(=O)C)(C)C,1
-hansen_24903-48-8,c1ccc2c(c1)c1cc3ccc4c(c3cc1cc2)cncc4,1
-hansen_102-50-1,COc1ccc(c(c1)C)N,1
-hansen_6313-44-6,[O-][N+](=O)C1c2ccccc2C(=O)c2c1cccc2,0
-hansen_58917-67-2,OC1C2OC2c2c(C1O)cc1c3c2ccc2c3c(cc1)ccc2,1
-hansen_693-98-1,Cc1ncc[nH]1,0
-hansen_76150-91-9,Clc1cnc(c(c1)Cl)Oc1ccc(cc1)Oc1ncc(cc1Cl)Cl,0
-hansen_13256-06-9,CCCCCN(N=O)CCCCC,1
-hansen_42397-64-8,[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],1
-hansen_21259-20-1,CC(CC(=O)OC1CC2(COC(=O)C)C(C=C1C)OC1C3(C2(C)C(OC(=O)C)C1O)CO3)C,1
-hansen_112-52-7,CCCCCCCCCCCCCl,0
-hansen_131119-01-2,ClCCOC(=O)Cc1c(C(=O)O)c2c(n1C)cccc2,1
-hansen_1028-11-1,[O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1ccccn1,0
-hansen_32692-19-6,[O-][N+](=O)c1ccc2c(c1)CCN2,1
-hansen_81-55-0,O=C1c2c(ccc(c2C(=O)c2c1c(ccc2O)[N+](=O)[O-])O)[N+](=O)[O-],1
-hansen_482-89-3,O=C1c2ccccc2N=C1c1[nH]c2c(c1O)cccc2,1
-hansen_59283-76-0,ONc1cc(cc(c1C)[N+](=O)[O-])[N+](=O)[O-],1
-hansen_930-68-7,O=C1CCCC=C1,0
-hansen_67028-20-0,Cc1cccc2c1nc1c(c2)ccc2c1cccc2,0
-hansen_555-84-0,O=C1NCCN1/N=C/c1ccc(o1)[N+](=O)[O-],1
-hansen_13909-09-6,ClCCN(C(=O)NC1CCC(CC1)C)N=O,1
-hansen_147151-64-2,ClCCN(c1cccc(c1)/C=C/C(=O)OC1CCC2C1(C)CCC1C2CCC2=CC(=O)NCCC12C)CCCl,0
-hansen_159416-83-8,COc1c(c(C)cc2c1c(O)ccc2O)c1cc(O)c2c(c1O)cc(cc2OC)C,0
-hansen_90597-22-1,Nc1ccn(c(=O)n1)C1C=C(C(C1O)O)CO,0
-hansen_21313-86-0,Nc1[nH]cnc2-c1nc(n2)c1ccc(cc1)[N+](=O)[O-],1
-hansen_86334-97-6,O=NN(C(C(=O)O)Cc1ccccc1)CC1(O)CCC(C(C1O)O)O,0
-hansen_58139-46-1,O=CNc1scc(n1)c1ccc(s1)[N+](=O)[O-],1
-hansen_6344-63-4,Nc1cccc2-c3c(Cc12)cccc3,1
-hansen_106232-36-4,O=Nc1[nH]cnc1c1ccccc1,1
-hansen_18883-66-4,OCC1OC(O)C(C(C1O)O)NC(=O)N(N=O)C,1
-hansen_96563-07-4,Cc1ccc2c(-c3ccccc3C2C)c1,1
-hansen_597-25-1,COP(=O)(N1CCOCC1)OC,0
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-hansen_105-87-3,C/C(=C/COC(=O)C)/CCC=C(C)C,0
-hansen_136950-74-8,[O-][N+](=O)c1cc(C)c2c(c1C)c1cc(ccc1[nH]2)C(=O)C,1
-hansen_91085-62-0,Cl/C=C(\SCc1ccccc1)/Cl,1
-hansen_116-54-1,COC(=O)C(Cl)Cl,1
-hansen_58683-84-4,COc1cc(N=Nc2ccccc2)ccc1[N+](=O)[O-],1
-hansen_17804-35-2,CCCCNC(=O)n1c(NC(=O)OC)nc2c1cccc2,0
-hansen_1747-60-0,COc1ccc2c(c1)sc(n2)N,1
-hansen_13743-07-2,OCCN(C(=O)N)N=O,1
-hansen_129812-24-4,O=c1cc(C)c2c(o1)cc1c(c2)C2(C(O1)(C)OO2)C,1
-hansen_159092-73-6,[O-][N+](=O)c1ccc2c(c1)c1ccccc1cc2[N+](=O)[O-],1
-hansen_476-71-1,COc1cc2CCN(C3c2c(-c2cc4OCOc4cc2C3)c1O)C,0
-hansen_67019-26-5,CCCCCCCC(=O)Nc1snc2c1cccc2,0
-hansen_101489-25-2,COc1ccc(c2c1oc1c3c(OC4C3CCO4)cc(c1c2=O)OC)O,0
-hansen_106532-72-3,[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccccc1Cl)/sn2C(=O)c1ccccc1Cl,1
-hansen_75-91-2,OOC(C)(C)C,1
-hansen_112654-68-9,ClC(=C1OC(=O)C(=C1)Cl)Cl,1
-hansen_13109-99-4,O=C1CCCN1c1ncc(s1)[N+](=O)[O-],1
-hansen_124489-20-9,ONc1nc2c(n1C)cc(cn2)c1ccccc1,1
-hansen_63449-41-2,CCCCCCCCCCCCCC[N+](Cc1ccccc1)(C)C,0
-hansen_21884-44-6,OC1C2C(=O)C3=C(O)c4c(C(=O)C53C1C1C32C(=C(O)c2c(C3=O)c(O)c(cc2O)C)C(=O)C5C1O)c(O)c(cc4O)C,0
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-hansen_279242-11-4,[O-][N+](=O)c1ccc(cc1)c1ccc(cc1)C(C)(C)C,0
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-hansen_129812-30-2,CC12OOC2(C)Oc2c1ccc1c2nccc1,0
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-hansen_NOCAS_M291,CCCCCCCCCCCCCCCCCC(=O)OCC1=CC=C2C1=C[C@@H](CC=C2C)C(=C)C,1
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-hansen_146-68-9,Ic1ccc(cc1)[n+]1nc(nn1c1ccc(cc1)[N+](=O)[O-])c1ccccc1,0
-hansen_873-76-7,OCc1ccc(cc1)Cl,0
-hansen_127-47-9,CC(=O)OC/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C,0
-hansen_70222-95-6,OCC(=O)C1(O)CC(OC2OC(C)C(C(C2)N(C)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2,1
-hansen_107210-39-9,CN(CCCNc1c2ccccc2nc2c1c(ccc2N(CCOC(=O)C)CCOC(=O)C)[N+](=O)[O-])C,1
-hansen_6810-26-0,ONc1ccc(cc1)c1ccccc1,1
-hansen_98-11-3,OS(=O)(=O)c1ccccc1,0
-hansen_159092-80-5,[O-][N+](=O)c1ccc2c(c1)c(cc1c2c(ccc1)[N+](=O)[O-])[N+](=O)[O-],1
-hansen_125369-76-8,N#C/C(=C\C=C\c1ccccc1[N+](=O)[O-])/c1ccc(cc1)C,1
-hansen_72492-12-7,O=C1c2cc(ccc2OC21CC2)C(=O)C,0
-hansen_97-42-7,CC(=O)O[C@H]1C[C@H](CC=C1C)C(=C)C,0
-hansen_33175-34-7,ONc1ccc(c(c1)Cl)Cl,0
-hansen_110-21-4,NC(=O)NNC(=O)N,0
-hansen_55556-93-9,OC1CCN(CC1)N=O,1
-hansen_83287-02-9,COc1ccc2-c3nccc4c3c(C(=O)c2c1)c(OC)c(c4)OC,1
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-hansen_67508-86-5,CN[C@H]1C[C@H](O[C@H]([C@@H]1O)C)O[C@H]1C[C@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)C,1
-hansen_7422-80-2,CCCCN(CCCC)N,0
-hansen_3333-66-2,Cc1c(C)c2ccccc2c2c1c(Cl)c1ccccc1n2,1
-hansen_128-95-0,Nc1ccc(c2c1C(=O)c1ccccc1C2=O)N,1
-hansen_55965-84-9,Cn1sc(cc1=O)Cl,1
-hansen_108-37-2,Clc1cccc(c1)Br,0
-hansen_98-82-8,CC(c1ccccc1)C,0
-hansen_79-06-1,NC(=O)C=C,0
-hansen_121-17-5,[O-][N+](=O)c1cc(ccc1Cl)C(F)(F)F,0
-hansen_5470-37-1,OC(=O)C1NC(C)c2c(C1)c1ccccc1[nH]2,0
-hansen_120-75-2,Cc1nc2c(s1)cccc2,0
-hansen_73870-33-4,O=NN1CSCC1,1
-hansen_121625-60-3,CC12OC1C1CCCCC1c1c2cccc1,0
-hansen_83053-60-5,CCCCOc1cc2C(=O)CCc2c2c1c1ccccc1cc2,0
-hansen_111955-14-7,OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)N(c1ccc(cc1)[N+](=O)[O-])N=O,1
-hansen_7763-77-1,Cl[C@@H]1CO1,1
-hansen_621-96-5,Nc1ccc(cc1)/C=C/c1ccc(cc1)N,1
-hansen_6190-65-4,CC(Nc1nc(N)nc(n1)Cl)C,0
-hansen_NOCAS_M182,CC[C@H](COC(=O)/C=C/c1ccc(cc1)/N=C/c1ccc(cc1)OC)C,1
-hansen_607-35-2,[O-][N+](=O)c1cccc2c1nccc2,1
-hansen_130536-38-8,OC1C(O)C=Cc2c1cccn2,0
-hansen_91-62-3,Cc1ccc2c(c1)cccn2,1
-hansen_185-70-6,C1CCC2(CC1)CO2,0
-hansen_NOCAS_M224,C1CC[C@H]2[C@@H](C1)O2,1
-hansen_108-67-8,Cc1cc(C)cc(c1)C,0
-hansen_88-73-3,[O-][N+](=O)c1ccccc1Cl,1
-hansen_2381-39-7,Cc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,1
-hansen_86-50-0,COP(=S)(SCn1nnc2c(c1=O)cccc2)OC,1
-hansen_25081-31-6,O=NN(CC(=O)O)CC(=O)O,1
-hansen_117929-15-4,[O-][N+](=O)c1cc2ccc3c4c2c(c1)ccc4cc(c3)[N+](=O)[O-],1
-hansen_72999-11-2,COC(=O)/C(=C/c1ccco1)/[N+](=O)[O-],0
-hansen_17433-31-7,CC(=O)NNC(=O)c1ccccn1,0
-hansen_170660-63-6,O=C1NC(=O)C(=C(Cl)Cl)C1Cl,1
-hansen_77500-04-0,Cc1cnc2c(n1)c1nc(n(c1cc2)C)N,1
-hansen_163275-67-0,Fc1cccc2c1c1cccnc1cc2,1
-hansen_52744-22-6,OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(O)ccc2)C(=O)C,1
-hansen_1069-55-2,CC(COC(=O)C(=C)C#N)C,0
-hansen_619-90-9,CC(=O)OCc1ccc(cc1)[N+](=O)[O-],1
-hansen_NOCAS_M338,OC[C@]12[C@H](C=C(C(=O)[C@@H]1O)C)O[C@@H]1[C@]3([C@@]2(C)[C@@H](OC(=O)C)[C@@H]1O)OC3,0
-hansen_105427-03-0,O=C(C1OC1)Nc1ccccc1,1
-hansen_523-47-7,CC1=CC[C@H]2[C@H](C1)[C@H](CC=C2C)C(C)(C)C,0
-hansen_NOCAS_M126,COC(=O)[C@@]12O[C@@]2(C)[C@@](NC1=O)(C)O,1
-hansen_20589-63-3,[O-][N+](=O)c1ccc2c3c1cccc3c1c3c2cccc3ccc1,1
-hansen_446-86-6,Cn1cnc(c1Sc1[nH]cnc2-c1ncn2)[N+](=O)[O-],1
-hansen_16665-89-7,CCc1cccc(c1NC(=O)C)CC,0
-hansen_NOCAS_M372,O[C@@H]1[C@@H](O)[C@@H](O[C@@H]1n1ccc(nc1=O)N)COP(=O)(O)O,0
-hansen_14953-62-9,[O-][N+](=O)c1[nH]cnc1c1ccccc1,1
-hansen_106-27-4,CCCC(=O)OCCC(C)C,0
-hansen_493-52-7,CN(c1ccc(cc1)N=Nc1ccccc1C(=O)O)C,1
-hansen_885-62-1,[O-][N+](=O)c1cc(ccc1S(=O)(=O)O)[N+](=O)[O-],0
-hansen_110690-43-2,CCOCn1cc(F)c(=O)n(c1=O)C(=O)c1cccc(c1)C(=O)Oc1nc(ccc1C#N)OC(=O)c1ccccc1,0
-hansen_3787-28-8,O=CC(=C(Cl)Cl)Cl,1
-hansen_928-73-4,NC(=O)N/N=C/C(=O)O,0
-hansen_163275-65-8,Fc1cnc2c(c1)c1ccccc1cc2,1
-hansen_50-84-0,Clc1ccc(c(c1)Cl)C(=O)O,0
-hansen_304-28-9,CC(=O)Nc1ccc2-c3c(Cc2c1)cc(cc3)NC(=O)C,1
-hansen_97747-88-1,OC/C=C/C1(O)CCC2C1(C)CC(c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CCC21,0
-hansen_95896-78-9,Cc1cnc2c(n1)c1nc(n(c1c(c2)C)C)N,1
-hansen_2752-54-7,CC(CC(C(=O)O)NC(=O)COc1ccc(cc1Cl)Cl)C,0
-hansen_95-84-1,Cc1ccc(c(c1)N)O,1
-hansen_125973-99-1,ClCC1=CC(=O)OC1,1
-hansen_63390-11-4,Nc1ccc(cc1)c1cc(Cl)c(c(c1)Cl)N,1
-hansen_54522-53-1,OCC1OC(OC2CCC3(C(=CCC4C3CCC3(C4CC4C3C(C)C(O4)(OC)CCC(COC3OC(CO)C(C(C3O)O)O)C)C)C2)C)C(C(C1O)OC1OC(CO)C(C(C1O)O)O)OC1OC(C)C(C(C1O)O)O,0
-hansen_2945-96-2,COc1cc(N=Nc2ccc(cc2)N)c(cc1N=Nc1c(O)c2cc(N)ccc2cc1S(=O)(=O)O)C,1
-hansen_62681-13-4,CCOC(=O)N(CCOC(=O)C)N=O,1
-hansen_3531-19-9,[O-][N+](=O)c1cc(Cl)c(c(c1)[N+](=O)[O-])N,1
-hansen_16757-83-8,Cc1cc2cc3ccccc3c3c2c2c1cccc2cc3,1
-hansen_94-70-2,CCOc1ccccc1N,0
-hansen_33399-00-7,CCOP(=O)(O/C(=C\Br)/c1ccc(cc1Cl)Cl)OCC,0
-hansen_10227-50-6,O=C1NCCN1c1nccs1,1
-hansen_19083-00-2,OCC1OC(OC2CCC3(C(=CCC4C3CCC3(C4CC4C3C(C)C3(O4)CCC(CO3)C)C)C2)C)C(C(C1O)OC1OC(CO)C(C(C1O)O)O)OC1OC(C)C(C(C1O)O)O,0
-hansen_134109-01-6,OC1c2ccccc2-c2c(C1O)c(Cl)c1c(c2)cccc1,0
-hansen_91254-92-1,Oc1cc2cccc3c2c2c1c(ccc2cc3)[N+](=O)[O-],1
-hansen_60877-85-2,Clc1cc(Cl)c2c(c1)c(/N=C/c1ccc(cc1)[N+](=O)[O-])sn2,1
-hansen_96839-34-8,OCc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],0
-hansen_670-54-2,N#CC(=C(C#N)C#N)C#N,0
-hansen_98079-51-7,CCn1cc(C(=O)O)c(=O)c2c1c(F)c(N1CCNC(C1)C)c(c2)F,1
-hansen_87-44-5,C/C/1=C/CCC(=C)[C@H]2[C@@H](CC1)C(C2)(C)C,0
-hansen_64283-13-2,OC1c2cccc3c2c2c(C1O)c1ccccc1cc2cc3,1
-hansen_8065-48-3,CCSCCOP(=S)(OCC)OCC,1
-hansen_10114-58-6,Nc1ccc(c(c1)N)N=Nc1cccc(c1)N=Nc1ccc(cc1N)N,1
-hansen_918-00-3,CC(=O)C(Cl)(Cl)Cl,1
-hansen_96-69-5,CC(c1cc(Sc2cc(c(cc2C)O)C(C)(C)C)c(cc1O)C)(C)C,0
-hansen_525-03-1,NC1c2ccccc2-c2c1cccc2,0
-hansen_822-36-6,Cc1c[nH]cn1,0
-hansen_NOCAS_M398,CCCC[C@H](CN)CC,0
-hansen_NOCAS_M95,c1ccc(cc1)Cc1ccc(cc1)C[C@H]1CO1,1
-hansen_58-94-6,Clc1cc2NC=NS(=O)(=O)c2cc1S(=O)(=O)N,0
-hansen_NOCAS_M255,c1ccc2-c3c([C@@H]4[C@H](c2c1)O4)c1ccccc1c1c3cccc1,1
-hansen_79-92-5,C=C1[C@H]2CC[C@@H](C1(C)C)C2,0
-hansen_NOCAS_M289,C[C@@H]1CC[C@H](C(=O)C1)C(C)C,1
-hansen_36164-42-8,CC(=O)Nc1ccc2c(c1)nccc2,1
-hansen_NOCAS_M92,O[C@@H]1Cc2c3c1ccc1c3c3c(c2)cccc3cc1,1
-hansen_NOCAS_M374,C[C@@H](Nc1ccc(cc1)N[C@@H](CCC(C)C)C)CCC(C)C,0
-hansen_91991-18-3,CC(=O)Nc1snc2c1cc(Cl)cc2,1
-hansen_51-36-5,OC(=O)c1cc(Cl)cc(c1)Cl,0
-hansen_126-99-8,C=CC(=C)Cl,0
-hansen_70987-78-9,Cc1ccc(cc1)S(=O)(=O)OCC1OC1,1
-hansen_514-78-3,C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C1=C(C)C(=O)CCC1(C)C)/C)/C)/C=C/C=C(/C=C/C1=C(C)C(=O)CCC1(C)C)\C,0
-hansen_5679-89-0,[O-][N+](=Nc1ccc(c(c1)[N+](=O)[O-])C)c1ccc(c(c1)[N+](=O)[O-])C,0
-hansen_53693-67-7,Nc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N,0
-hansen_32784-82-0,CS(=O)(=O)OCCCNCCCOS(=O)(=O)C,1
-hansen_64099-26-9,COc1nsc2c1cc(cc2)[N+](=O)[O-],1
-hansen_106-99-0,C=CC=C,1
-hansen_610-39-9,Cc1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-],1
-hansen_2873-97-4,C=CC(=O)NC(CC(=O)C)(C)C,0
-hansen_2310-17-0,CCOP(=S)(SCn1c(=O)oc2c1ccc(c2)Cl)OCC,0
-hansen_50782-69-9,CCOP(=O)(SCCN(C(C)C)C(C)C)C,0
-hansen_142713-64-2,COc1cc(CNC(=O)C(Br)C)ccc1O,1
-hansen_533-74-4,CN1CN(C)CSC1=S,1
-hansen_5806-00-8,[O-][N+](=O)c1cccc(c1C)N=[N+](c1cccc(c1C)[N+](=O)[O-])[O-],0
-hansen_115-32-2,OC(C(Cl)(Cl)Cl)(c1ccc(cc1)Cl)c1ccc(cc1)Cl,0
-hansen_16338-97-9,C=CCN(CC=C)N=O,1
-hansen_459-56-3,OCc1ccc(cc1)F,0
-hansen_2675-77-6,COc1cc(Cl)c(cc1Cl)OC,1
-hansen_110-18-9,CN(CCN(C)C)C,0
-hansen_4430-25-5,Oc1c(Br)cc(cc1Br)C1(OS(=O)(=O)c2c1c(Br)c(Br)c(c2Br)Br)c1cc(Br)c(c(c1)Br)O,0
-hansen_4801-39-2,NCC(=O)Nc1ccccc1,1
-hansen_93673-37-1,O[C@H]1C=Cc2c([C@@H]1O)ccc1c2cc2cccc3c2c1C=C3,1
-hansen_626-17-5,N#Cc1cccc(c1)C#N,0
-hansen_101-84-8,c1ccc(cc1)Oc1ccccc1,0
-hansen_6146-52-7,[O-][N+](=O)c1ccc2c(c1)cc[nH]2,1
-hansen_66789-78-4,CC(CC(C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl)C,0
-hansen_61841-39-2,Nc1ccc(cc1)c1ccc(c(c1)[N+](=O)[O-])N,1
-hansen_91-08-7,O=C=Nc1cccc(c1C)N=C=O,1
-hansen_24463-15-8,OCc1ccc2c3c1ccc1c3c(cc2)ccc1,1
-hansen_86803-19-2,ClCc1cccc2c1c1ccc3c4c1c(c2)ccc4ccc3,1
-hansen_56-55-3,c1ccc2c(c1)cc1c(c2)ccc2c1cccc2,1
-hansen_159092-75-8,[O-][N+](=O)c1cc2ccccc2c2c1cccc2[N+](=O)[O-],1
-hansen_120404-27-5,OCCNc1ccc(cc1)N=Nc1ccc(cc1)N(CCO)CCO,0
-hansen_1197-01-9,Cc1ccc(cc1)C(O)(C)C,0
-hansen_7269-58-1,OCC1OC(C(C1O)O)n1cnc2c1nc(N)nc2NO,1
-hansen_138-42-1,[O-][N+](=O)c1ccc(cc1)S(=O)(=O)O,0
-hansen_41372-08-1,OC(=O)C(Cc1ccc(c(c1)O)O)(N)C,0
-hansen_6959-47-3,ClCc1ccccn1,1
-hansen_93673-33-7,c1cc2cc3ccc4c(c3c3c2c(c1)C1OC31)cccc4,1
-hansen_122-57-6,CC(=O)/C=C\c1ccccc1,1
-hansen_146795-33-7,CCc1ccccc1NC(=O)c1csc(c1)[N+](=O)[O-],1
-hansen_1929-82-4,Clc1cccc(n1)C(Cl)(Cl)Cl,1
-hansen_461-58-5,NC(=N)NC#N,1
-hansen_108-01-0,OCCN(C)C,0
-hansen_100690-33-3,CCCCCOc1ccc(cc1)N=O,1
-hansen_39179-91-4,ClCCNc1ccc(cc1)C,1
-hansen_95-48-7,Cc1ccccc1O,0
-hansen_111712-49-3,BrCC(CCOP(=O)(OCCC(CBr)Br)OCCC(CBr)Br)Br,0
-hansen_132297-89-3,COc1ccc2c(c1)cc1-c3cccc4c3c(-c1n2)ccc4,1
-hansen_545-06-2,N#CC(Cl)(Cl)Cl,1
-hansen_481-39-0,O=C1C=CC(=O)c2c1c(O)ccc2,1
-hansen_6623-66-1,O=c1oc2ccc(cc2c2c1cccc2)[N+](=O)[O-],1
-hansen_150445-98-0,Clc1ccc(c(c1)Cl)Cn1c(/C=N/OCc2ccccc2[N+](=O)[O-])nc2c1ccc(c2)[N+](=O)[O-],1
-hansen_21490-63-1,C[C@@H]1O[C@@H]1C,1
-hansen_148-82-3,ClCCN(c1ccc(cc1)C[C@H](C(=O)O)N)CCCl,1
-hansen_NOCAS_M190,C[C@H](c1ccc2c3c1ccc1c3c(cc2)ccc1)O,1
-hansen_51-21-8,Oc1ncc(c(n1)O)F,0
-hansen_3343-64-4,CCCCSCCC(C(=O)O)N,0
-hansen_82-28-0,O=C1c2ccccc2C(=O)c2c1ccc(c2N)C,1
-hansen_483-84-1,[O-][N+](=O)c1cc([N+](=O)[O-])c2c(c1O)cc(cc2)S(=O)(=O)O,1
-hansen_59804-37-4,O=C(C1=C(O)c2sccc2S(=O)(=O)N1C)Nc1ccccn1,0
-hansen_3520-42-1,CCN(c1ccc2c(c1)oc1-c(c2c2ccc(cc2S(=O)(=O)O)S(=O)(=O)O)ccc(=[N+](CC)CC)c1)CC,1
-hansen_142438-72-0,COC(=O)C1(OC1(CC)C(O)C)C(=O)N,0
-hansen_80-08-0,Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N,0
-hansen_6633-40-5,Oc1ccc2-c3c(Cc2c1)cc(cc3)[N+](=O)[O-],1
-hansen_6428-31-5,OS(=O)(=O)c1cc2cc(c(c(c2c(c1N=Nc1ccc(cc1)N=Nc1ccc(cc1N)N)O)N)N=Nc1ccc(cc1)N=Nc1ccc(cc1N)N)S(=O)(=O)O,1
-hansen_86674-50-2,OC1C(O)c2cccc3c2c2c1ccc(c2cc3)[N+](=O)[O-],1
-hansen_98033-26-2,Oc1ccc2c(c1)c1c(cc2)ccc2c1nc([nH]2)C,1
-hansen_833-50-1,c1ccc(cc1)c1nc2c(o1)cccc2,0
-hansen_139259-64-6,CC(ON(C(=O)c1ccccc1)OC(=O)C)C,1
-hansen_127502-69-6,CC(c1cc(ccc1N)c1ccccc1)C,1
-hansen_94500-54-6,ClCc1cc2cccc3c2c2c1c1ccccc1cc2cc3,1
-hansen_113698-22-9,COC1=CC(=O)c2c(C1=O)nc(c1c2[nH]c2c1cccc2)C,1
-hansen_86439-49-8,[O-][N+](=O)c1cc2c(cc1N)[nH]c1c2cccc1,1
-hansen_75-08-1,CCS,0
-hansen_353-59-3,FC(Br)(Cl)F,0
-hansen_622-79-7,N#N=NCc1ccccc1,1
-hansen_1484-12-4,Cn1c2ccccc2c2c1cccc2,1
-hansen_13284-42-9,CC/C=C\C#N,0
-hansen_134998-76-8,O=Nc1ccc2c3c1ccc1c3c(cc2)c2c(c1)CCCC2,1
-hansen_83-79-4,COc1cc2c(cc1OC)OC[C@H]1[C@H]2C(=O)c2c(O1)c1C[C@H](Oc1cc2)C(=C)C,0
-hansen_135295-00-0,OCc1ccc2-c3c4c(-c2c1)cccc4ccc3,1
-hansen_1119-40-0,COC(=O)CCCC(=O)OC,0
-hansen_618-39-3,NC(=N)c1ccccc1,0
-hansen_3546-41-6,CN(c1ccc2c(c1)ccc([n+]2C)/C=C/c1cc(n(c1C)c1ccccc1)C)C,1
-hansen_128-08-5,BrN1C(=O)CCC1=O,1
-hansen_184582-67-0,S=c1c2cc3OCCOCCOCCOCCOCCOCCOc4cc1c(n(c2cc3)C)cc4,0
-hansen_7433-46-7,CNC(=O)NO,0
-hansen_3113-72-2,Cc1ccc(c(c1)C(=O)O)[N+](=O)[O-],1
-hansen_NOCAS_M114,[O-][N+](=O)c1ccc(cc1)O[C@@H]1OC1,1
-hansen_107-35-7,NCCS(=O)(=O)O,0
-hansen_88-21-1,Nc1ccccc1S(=O)(=O)O,1
-hansen_19866-62-7,[O-][n+]1ncc2c(c1)nccc2,0
-hansen_15299-08-8,Cc1ccc2-c3c4c(-c2c1)cc1ccccc1c4cc1c3cccc1,1
-hansen_2498-75-1,Cc1ccc2c(c1)ccc1c2cc2ccccc2c1,1
-hansen_57-14-7,CN(N)C,1
-hansen_192-87-0,c1ccc2-c3c(Cc2c1)ccc1c3c2ccccc2cc1,0
-hansen_119-65-3,c1ccc2c(c1)cncc2,0
-hansen_22994-85-0,O=C(Cn1ccnc1[N+](=O)[O-])NCc1ccccc1,1
-hansen_141-38-8,CCCCCCCCC1OC1CCCCCCCC(=O)OCC(CCCC)CC,0
-hansen_121-47-1,Nc1cccc(c1)S(=O)(=O)O,0
-hansen_75476-80-1,[O-][N+](=O)c1ccc2c(c1)CC=C2,1
-hansen_18523-47-2,OC(=O)CCN=N#N,1
-hansen_10169-02-5,Oc1ccc2c(c1N=Nc1ccc(c(c1)S(=O)(=O)O)c1ccc(cc1S(=O)(=O)O)N=Nc1c(O)ccc3c1cccc3)cccc2,0
-hansen_70951-83-6,OC1C2OC2c2c(C1O)c1ccc3c(c1cc2)cccc3,1
-hansen_81542-82-7,OC(COc1ccc(cc1C1CCCC1)O)CNC(C)(C)C,0
-hansen_25103-58-6,CCCCC(CCCC)(CCC)S,0
-hansen_98-08-8,FC(c1ccccc1)(F)F,0
-hansen_7779-16-0,O=C(c1ccccc1N)OC1CCCCC1,0
-hansen_95389-75-6,N#N=Nc1nc2c(n1C)c1ccccc1cc2,1
-hansen_14691-88-4,NC1CC(C)(C)N(C(C1)(C)C)O,1
-hansen_6066-82-6,ON1C(=O)CCC1=O,0
-hansen_141-97-9,CCOC(=O)CC(=O)C,0
-hansen_124617-86-3,CC(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,1
-hansen_61691-83-6,C=C[C@H](c1ccc(c2c1cccc2)OC)OC(=O)C,1
-hansen_183249-37-8,c1ccc2c(c1)ccc1c2c2C=CCc2cc1,1
-hansen_97851-13-3,[O-][N+](=O)c1cc(ccc1O)c1cccc(c1O)[N+](=O)[O-],0
-hansen_92-67-1,Nc1ccc(cc1)c1ccccc1,1
-hansen_159714-85-9,CCc1c2C3OC3c3c(-c2cc2c1cccc2)cccc3,1
-hansen_124817-06-7,OC(c1ccccc1)CN=N#N,1
-hansen_75-26-3,CC(Br)C,1
-hansen_1594-56-5,N#CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],1
-hansen_443-48-1,OCCn1c(C)ncc1[N+](=O)[O-],1
-hansen_57564-91-7,O=NSCC(C(=O)N(C(=O)CCC(C(=O)O)N)CC(=O)O)N,1
-hansen_603-54-3,NC(=O)N(c1ccccc1)c1ccccc1,0
-hansen_607-30-7,ONc1cccc2c1cccc2,1
-hansen_105467-73-0,OC1C(O)C2OC2c2c1ccc1c2cc2c(n1)ccc1c2cccc1,1
-hansen_NOCAS_M199,C=CC(=O)OC[C@H]1CO1,1
-hansen_114882-46-1,O=Nc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,1
-hansen_41122-70-7,CCCCCCc1ccc(cc1)c1ccc(cc1)C#N,0
-hansen_80830-42-8,SCCC(=O)N1C(CSC1c1ccccc1O)C(=O)O,0
-hansen_147-47-7,CC1=CC(C)(C)Nc2c1cccc2,0
-hansen_544-63-8,CCCCCCCCCCCCCC(=O)O,0
-hansen_NOCAS_M465,C[C@@H]1OCCc2c1cc1c(c2)C([C@@H](C1(C)C)C)(C)C,0
-hansen_63412-06-6,O=NN(C(=O)c1ccccc1)C,1
-hansen_67508-85-4,COC(=O)[C@@H]1c2cc3c(c(c2[C@H](C[C@@]1(O)CC)O[C@@H]1C[C@H](N)[C@H]([C@@H](O1)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,1
-hansen_103978-08-1,CCn1cc(C(=O)O)c(=O)c2c1c(F)c(c1ccc(cc1)O)c(c2)F,1
-hansen_123016-76-2,NC(=O)N(c1ccccc1)c1ccc(cc1)C(=O)O,1
-hansen_23355-64-8,OCCN(c1ccc(c(c1)Cl)N=Nc1c(Cl)cc(cc1Cl)[N+](=O)[O-])CCO,1
-hansen_88741-68-8,COc1ccc2c(-c3nccc4c3c(C2=O)c(OC)c(c4)OC)c1,1
-hansen_3351-28-8,Cc1cccc2c1ccc1c2ccc2c1cccc2,1
-hansen_115609-71-7,Cc1cnc2c(n1)c(C)cc1c2nc(n1C)N,1
-hansen_578-67-6,Oc1cccc2c1cccn2,1
-hansen_24027-84-7,Oc1cc2cccc3c2c2c1cc1ccccc1c2cc3,1
-hansen_131862-22-1,CN(CCNC(=O)c1cccc2c1oc(c2)c1ccccc1)C,1
-hansen_102791-33-3,O=c1oc2ccc(c3c2c2c1cccc2cc3)[N+](=O)[O-],1
-hansen_113393-59-2,OCc1ccc2-c1cc(ccc2C)C(=C)C,1
-hansen_NOCAS_M550,C[C@@H]1CC[C@H](CC1)C(C)C,0
-hansen_84-11-7,O=C1C(=O)c2ccccc2-c2c1cccc2,0
-hansen_180913-77-3,CC(=O)Nc1ccc2c3c1ccc1c3c(c(=O)c2=O)ccc1,1
-hansen_345667-01-8,ONc1ccc(cc1C(C)(C)C)c1ccccc1,1
-hansen_873-69-8,O/N=C/c1ccccn1,0
-hansen_312304-89-5,ClCCCCN(COC(=O)C)N=O,1
-hansen_55446-27-0,COc1cc2O[C@@H]3[C@H](c2c2c1c1[C@@H](O)C[C@@H](c1c(=O)o2)O)C=CO3,1
-hansen_63-25-2,CNC(=O)Oc1cccc2c1cccc2,1
-hansen_155379-82-1,Nc1cc(C)c(c(c1)[N+](=O)[O-])N,1
-hansen_100757-60-6,ClCc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0
-hansen_51325-35-0,CC(=O)Nc1nc(NC(=O)C)nc(n1)c1ccc(o1)[N+](=O)[O-],1
-hansen_79-27-6,BrC(C(Br)Br)Br,0
-hansen_4176-53-8,Nc1cccc2c1ccc1c2cccc1,1
-hansen_139495-76-4,CN1CCN(CC1)c1cc2c(cc1F)n1c(n2C2CC2)cc(=O)[nH]c1=O,1
-hansen_108-88-3,Cc1ccccc1,0
-hansen_56525-92-9,COc1nncc2c1cccn2,0
-hansen_2757-90-6,OCc1ccc(cc1)NNC(=O)CC[C@@H](C(=O)O)N,1
-hansen_132742-02-0,[O-][N+](=O)c1c2C=CCCc2c2c3c1ccc1c3c(cc2)ccc1,1
-hansen_6983-79-5,COC(=O)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(\C=C\C(=O)OC)/C)\C)/C)/C,1
-hansen_111380-08-6,O=Nc1n(C)cnc1c1ccccc1,1
-hansen_218-08-6,c1ccc2c(c1)c1ccc3c(c1cc2)cccn3,1
-hansen_74006-72-7,C1C2SCC=CN2C1=O,0
-hansen_3268-49-3,CSCCC=O,0
-hansen_92339-11-2,OCC(CNC(=O)c1c(I)c(N(C(=O)C)CC(CN(c2c(I)c(C(=O)NCC(CO)O)c(c(c2I)C(=O)NCC(CO)O)I)C(=O)C)O)c(c(c1I)C(=O)NCC(CO)O)I)O,0
-hansen_153654-33-2,[O-][N+](=O)c1cc2c(cc1O)[nH]c1c2cccc1,1
-hansen_97461-43-3,[O-][N+](=O)c1ccc(o1)/C=C(/C(=O)OC)\C,1
-hansen_82-39-3,COc1cccc2c1C(=O)c1c(C2=O)cccc1,1
-hansen_129-73-7,CN(c1ccc(cc1)C(c1ccc(cc1)N(C)C)c1ccccc1)C,0
-hansen_143-16-8,CCCCCCNCCCCCC,0
-hansen_1195-79-5,O=C1[C@@]2(C)CC[C@@H](C1(C)C)C2,0
-hansen_683-51-2,ClC(=C)C=O,1
-hansen_602-60-8,[O-][N+](=O)c1c2ccccc2cc2c1cccc2,1
-hansen_25168-15-4,CC(CCCCCOC(=O)Cc1cc(Cl)c(cc1Cl)Cl)C,0
-hansen_24519-27-5,N#CC1=C(SCCS1)C#N,0
-hansen_5221-17-0,BrC(C=O)CBr,1
-hansen_121-88-0,[O-][N+](=O)c1ccc(c(c1)O)N,1
-hansen_620-02-0,Cc1ccc(o1)C=O,0
-hansen_67809-14-7,O=CN(N=O)C,1
-hansen_149-32-6,OCC(C(CO)O)O,0
-hansen_136-35-6,c1ccc(cc1)NN=Nc1ccccc1,1
-hansen_16110-09-1,Clc1ccc(cn1)Cl,0
-hansen_2154-67-8,OC(=O)C1=CC(N(C1(C)C)O)(C)C,0
-hansen_16596-38-6,CC(CN(CC(C)C)N)C,1
-hansen_122349-91-1,Cc1cc(C)c2c(n1)cc(c(c2)C)N,1
-hansen_579527-03-0,N#Cc1ccc(cc1)C[C@]12C[C@@H](CN2C(=O)N(C1=O)c1cc(Cl)cc(c1)Cl)N=[N+]=[N-],1
-hansen_89-58-7,Cc1ccc(c(c1)[N+](=O)[O-])C,1
-hansen_363-03-1,O=C1C=CC(=O)C=C1c1ccccc1,0
-hansen_139259-93-1,O=C(c1ccccc1)N(OC(=O)C)OCc1ccc(cc1)C(C)(C)C,1
-hansen_58139-53-0,CC(=O)Nc1scc(n1)c1scc(c1)[N+](=O)[O-],1
-hansen_1582-09-8,CCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CCC,1
-hansen_88-14-2,OC(=O)c1ccco1,0
-hansen_2278-22-0,[O-][N+](=O)OOC(=O)C,1
-hansen_2646-17-5,Cc1ccccc1N=Nc1c(O)ccc2c1cccc2,1
-hansen_982-57-0,OC(=O)CCC(=O)OC[C@@H]([C@H](c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl,0
-hansen_108-64-5,CCOC(=O)CC(C)C,0
-hansen_64099-28-1,COc1nsc2c1cc(N)cc2,1
-hansen_70-25-7,O=NN(C(=N)N[N+](=O)[O-])C,1
-hansen_NOCAS_M495,O=C(c1ccccc1)[C@@H]1O[C@H]1c1ccc(cc1)[N+](=O)[O-],0
-hansen_63038-82-4,O[C@@H]1[C@H]2O[C@H]2c2c([C@H]1O)cc1c(c2)c2ccccc2cc1,1
-hansen_160543-18-0,OCc1ccc2c(c1)c(C)c1c(-c3ccccc3C3C1O3)n2,0
-hansen_113600-17-2,Fc1cccc2c1cc1-c3cccc4c3c(-c1c2)ccc4,1
-hansen_116208-67-4,Fc1ccc2-c3c(-c4c2c1ccc4)cc1c(c3)cccc1,1
-hansen_NOCAS_M200,Br[C@H](CBr)COC(=O)C=C,1
-hansen_1591-56-6,CC(=O)Nc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,1
-hansen_95-57-8,Oc1ccccc1Cl,0
-hansen_947-73-9,Nc1cc2ccccc2c2c1cccc2,1
-hansen_159092-77-0,[O-][N+](=O)c1cccc2c1c1cccc(c1c(c2)[N+](=O)[O-])[N+](=O)[O-],1
-hansen_1116-54-7,OCCN(N=O)CCO,1
-hansen_146795-44-0,O=C(c1csc(c1)[N+](=O)[O-])Nc1ccc(cc1)[N+](=O)[O-],1
-hansen_2439-35-2,C=CC(=O)OCCN(C)C,0
-hansen_334-22-5,ClCCNCCCl,1
-hansen_112368-26-0,O=C(Nc1cc(Cl)c(c(c1)Cl)Cl)CCC(=O)O,0
-hansen_70403-80-4,COc1ccc2c(c1)c1c(OC)c(OC)cc3c1c(c2)N(C)CC3,0
-hansen_163275-68-1,Fc1ccc(c2c1ccc1c2cccn1)F,1
-hansen_1728-95-6,COc1ccc(cc1)c1nc(c([nH]1)c1ccccc1)c1ccccc1,1
-hansen_158729-24-9,Clc1ccc(cc1)NS(=O)(=O)c1cccc2c1nccc2,0
-hansen_646-06-0,C1OCCO1,0
-hansen_8004-87-3,CNc1ccc(cc1)C(=C1C=CC(=[N+](C)C)C=C1)c1ccc(cc1)N(C)C,1
-hansen_134170-56-2,COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)N(C(=O)C)OC(=O)C,0
-hansen_96-11-7,BrCC(CBr)Br,1
-hansen_3096-52-4,[O-][N+](=O)c1ccc2-c3c(C(=O)c2c1)cccc3,1
-hansen_463-40-1,CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)O,0
-hansen_531-82-8,CC(=O)Nc1scc(n1)c1ccc(o1)[N+](=O)[O-],1
-hansen_32433-28-6,CC(=O)Nc1ccnc2c1cccc2,0
-hansen_13687-09-7,CNP(=S)(N1CC1)N1CC1,1
-hansen_105708-74-5,BrCc1c2ccc3c4c2c2c5c1cccc5ccc2cc4ccc3,1
-hansen_305-03-3,ClCCN(c1ccc(cc1)CCCC(=O)O)CCCl,1
-hansen_28124-29-0,Nc1ccc2c(c1)nc1c(n2)c(N)ccc1,1
-hansen_147318-81-8,CSCC(C(=O)NC(C(C(=O)N1CSCC1C(=O)NC(C)(C)C)O)Cc1ccccc1)NC(=O)COc1cccc2c1ccnc2,0
-hansen_51938-13-7,CCCCN(CCCO)N=O,1
-hansen_96-91-3,[O-][N+](=O)c1cc(N)c(c(c1)[N+](=O)[O-])O,1
-hansen_557-91-5,CC(Br)Br,0
-hansen_4823-47-6,BrCCOC(=O)C=C,1
-hansen_133831-62-6,Cl/C(=C(\C(F)(F)F)/Cl)/SSc1ccccc1[N+](=O)[O-],1
-hansen_110-63-4,OCCCCO,0
-hansen_146177-58-4,Cc1nc2c(nc1C)c(C)cc1c2nc(n1C)N,1
-hansen_2524-03-0,COP(=S)(OC)Cl,0
-hansen_103369-09-1,O=C(c1ccc(cc1)Cl)NCOC(=O)C,0
-hansen_106636-48-0,[O-][N+](=O)c1c(nc2n1CCS2)c1ccc(cc1)[N+](=O)[O-],1
-hansen_148-53-8,COc1cccc(c1O)C=O,0
-hansen_6639-36-7,[O-][N+](=O)c1ccc2c(c1)c1ccccc1s2,1
-hansen_41340-36-7,OCCc1c[nH]c2c1cccc2CC,0
-hansen_33973-15-8,CC12OOC2(C)c2c(O1)cccc2,1
-hansen_134-20-3,COC(=O)c1ccccc1N,0
-hansen_81340-58-1,[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2cccc3)ccc1,1
-hansen_555-16-8,O=Cc1ccc(cc1)[N+](=O)[O-],1
-hansen_80-30-8,Cc1ccc(cc1)S(=O)(=O)NC1CCCCC1,0
-hansen_75-11-6,ICI,0
-hansen_139495-80-0,CN1CCN(CC1)c1cc2c(cc1F)n1c(n2C2CC2)cc(=O)n(c1=O)O,1
-hansen_108283-49-4,N#N=NCC(C(=O)O)NC(=O)OC(C)(C)C,1
-hansen_NOCAS_M383,ClC([C@@H](c1ccccc1Cl)c1ccc(cc1)Cl)Cl,0
-hansen_132059-53-1,BrC(C1=C(Br)C(=O)OC1O)Br,1
-hansen_5623-11-0,CC(=O)Nc1cccc(c1C(=O)O)N,1
-hansen_23696-28-8,OCCNC(=O)c1c(C)[n+]([O-])c2c([n+]1[O-])cccc2,1
-hansen_84-24-2,CCCCCC(=O)Cc1cc(O)cc2c1C(=O)Oc1c(O2)c(CCCCC)c(c(c1)O)C(=O)O,0
-hansen_4170-30-3,C/C=C\C=O,1
-hansen_99520-57-7,OC1C(O)c2ccc3c4c2c2=C1c1ccccc1-c2cc4ccc3,0
-hansen_331-39-5,OC(=O)/C=C/c1ccc(c(c1)O)O,0
-hansen_191861-15-1,Fc1cnc2c(c1)c(F)ccc2,0
-hansen_142382-12-5,N#CCCC(=O)CCc1ccc(cc1)C(=O)O,1
-hansen_109-69-3,CCCCCl,0
-hansen_109-84-2,NNCCO,1
-hansen_2478-38-8,COc1cc(cc(c1O)OC)C(=O)C,0
-hansen_159394-72-6,N#Cc1cccc(c1)/C=C/c1ccc(cc1)[N+](=O)[O-],1
-hansen_NOCAS_M131,ClC(C[C@@H]1OC1)(Cl)Cl,1
-hansen_108-05-4,CC(=O)OC=C,0
-hansen_585-86-4,OC[C@H]([C@H]([C@@H]([C@H](CO)O)O)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O,0
-hansen_16310-69-3,C1CCc2c(C1)ccc1c2cc2-c3ccccc3CCc2c1,1
-hansen_570-24-1,[O-][N+](=O)c1cccc(c1N)C,1
-hansen_51775-36-1,ClCC12C(Cl)C(C(C2(CCl)CCl)CC1(Cl)Cl)Cl,0
-hansen_107-51-7,C[Si](O[Si](C)(C)C)(O[Si](C)(C)C)C,0
-hansen_56316-37-1,CCCN(CCCC(=O)O)N=O,1
-hansen_98600-98-7,OC1C=Cc2c(C1O)cc(c1c2cc2ccccc2c1)C,1
-hansen_71-36-3,CCCCO,0
-hansen_17376-04-4,ICCc1ccccc1,0
-hansen_57117-24-5,O=NN(C(=O)O/N=C(\SC)/C)C,1
-hansen_106532-75-6,O=C(c1ccc(c(c1)Cl)Cl)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1ccc(c(c1)Cl)Cl,1
-hansen_29082-74-4,ClC(=C(c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl)Cl)Cl,0
-hansen_68279-00-5,CCCCCCCCSCN1C=CN(C1)C,0
-hansen_55400-88-9,O1C2C1c1cccc3c1-c1c2cccc1C1C3O1,1
-hansen_77-79-2,O=S1(=O)CC=CC1,0
-hansen_111-66-0,CCCCCCC=C,0
-hansen_1436-34-6,CCCCC1CO1,0
-hansen_52-24-4,S=P(N1CC1)(N1CC1)N1CC1,1
-hansen_344-07-0,Fc1c(F)c(F)c(c(c1F)Cl)F,0
-hansen_10159-46-3,CNP(=O)(N(C)C)N(C)C,1
-hansen_36355-01-8,Brc1cc(Br)cc(c1c1c(Br)cc(cc1Br)Br)Br,0
-hansen_64724-48-7,CC(=O)Nc1ccc2-c3c(Cc2c1OC(=O)C)cccc3,0
-hansen_144280-50-2,[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1o2)[N+](=O)[O-],1
-hansen_107-14-2,ClCC#N,0
-hansen_135-23-9,CN(CCN(c1ccccn1)Cc1cccs1)C,0
-hansen_117-80-6,O=C1C(=C(Cl)C(=O)c2c1cccc2)Cl,1
-hansen_954-46-1,[O-][N+](=O)c1cc2ccccc2c2c1cccc2,1
-hansen_476-60-8,Oc1ccc(c2c1c(O)c1ccccc1c2O)O,1
-hansen_66-81-9,C[C@H]1C[C@@H](C)C(=O)[C@H](C1)[C@H](CC1CC(=O)NC(=O)C1)O,0
-hansen_121-92-6,OC(=O)c1cccc(c1)[N+](=O)[O-],1
-hansen_121-50-6,Clc1ccc(cc1N)C(F)(F)F,0
-hansen_130536-45-7,c1cnc2c(c1)C1OC1CC2,0
-hansen_105-76-0,CCCCOC(=O)/C=C\C(=O)OCCCC,0
-hansen_38252-74-3,CCCCN(CCCC(=O)O)N=O,1
-hansen_115084-48-5,Nc1ccc(cc1Cl)Cc1cc(O)c(c(c1)Cl)N,0
-hansen_185-75-1,C1CCC2(CO1)CO2,1
-hansen_62641-70-7,O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccccc2c1C,1
-hansen_70883-13-5,CCSc1cc(ccc1N)Cc1ccc(c(c1)SCC)N,1
-hansen_594-70-7,CC([N+](=O)[O-])(C)C,0
-hansen_821-95-4,CCCCCCCCCC=C,0
-hansen_NOCAS_M408,CCC[C@H](C[C@@H]([C@@H](OC(=O)C[C@H](C(=O)O)CC(=O)O)C[C@@H](C[C@@H](CCCC[C@@H](C[C@@H]([C@@H](N)C)O)O)O)C)OC(=O)C[C@H](C(=O)O)CC(=O)O)C,0
-hansen_606-37-1,[O-][N+](=O)c1cc(cc2c1cccc2)[N+](=O)[O-],1
-hansen_29761-21-5,CC(CCCCCCCOP(=O)(Oc1ccccc1)Oc1ccccc1)C,0
-hansen_1522-92-5,OCC(CBr)(CBr)CBr,1
-hansen_519-23-3,Cc1c2cnccc2c(c2c1c1ccccc1[nH]2)C,1
-hansen_162022-85-7,[O-][n+]1ncc2c(c1)ccnc2,0
-hansen_1516-21-8,COc1ccc(cc1)N=O,1
-hansen_333-41-5,CCOP(=S)(Oc1cc(C)nc(n1)C(C)C)OCC,0
-hansen_111-69-3,N#CCCCCC#N,0
-hansen_1825-21-4,COc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,1
-hansen_115084-47-4,ONc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,1
-hansen_119-27-7,COc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],1
-hansen_105052-39-9,COc1ccc2c3c1cccc3OC(=C2)[N+](=O)[O-],1
-hansen_56-57-5,[O-][N+](=O)c1cc[n+](c2c1cccc2)[O-],1
-hansen_39515-41-8,N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)(C)C,0
-hansen_NOCAS_M155,CC(OC[C@@H]1OC1)C,1
-hansen_95-49-8,Cc1ccccc1Cl,0
-hansen_NOCAS_M510,O=C1OC2=CCO[C@H](C2=C1)O,0
-hansen_104-49-4,O=C=Nc1ccc(cc1)N=C=O,0
-hansen_732-11-6,COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC,1
-hansen_112-73-2,CCCCOCCOCCOCCCC,0
-hansen_100-69-6,C=Cc1ccccn1,0
-hansen_2867-47-2,CN(CCOC(=O)C(=C)C)C,1
-hansen_106532-65-4,ClCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCCl,1
-hansen_128753-87-7,COc1cccc2c1C1(C)OOC1(O2)C,1
-hansen_156243-39-9,Cc1cnc2c(n1)c(C)c1c(c2)nc(n1C)N,1
-hansen_98090-89-2,Cc1ccc2c3c1ccc1c3c(C2)ccc1,1
-hansen_146177-60-8,Cc1cnc2c(n1)c1nc(n(c1c(c2C)C)C)N,1
-hansen_63041-76-9,Cc1ccc2c(c1)cc1c3c2ccc2c3c(cc1)ccc2,1
-hansen_131862-15-2,CN(CCNC(=O)c1cccc2c1ncc1c2cccc1)C,1
-hansen_135577-57-0,N#N=Nc1nc2c(n1C)cc(cn2)c1ccccc1,1
-hansen_146795-36-0,Fc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],1
-hansen_7166-19-0,Br/C(=C\c1ccccc1)/[N+](=O)[O-],1
-hansen_75-29-6,CC(Cl)C,1
-hansen_64-17-5,CCO,0
-hansen_6628-97-3,O=C1C(=CC(=O)c2c1cccc2)Nc1ccccc1,1
-hansen_NOCAS_M420,OC(=O)C[C@@H](C(=O)O)C,0
-hansen_NOCAS_M278,OC[C@@H]1SCCN1N=O,1
-hansen_5422-34-4,OCCNC(=O)C(O)C,1
-hansen_1705-85-7,Cc1cc2c(c3c1cccc3)ccc1c2cccc1,1
-hansen_66789-82-0,O=C(NC(C(=O)O)Cc1c[nH]c2c1cccc2)COc1cc(Cl)c(cc1Cl)Cl,0
-hansen_99346-47-1,OC1C(O)C=Cc2c1cc1ccc3c4c1c2ccc4ccc3O,1
-hansen_146177-59-5,Cc1c(C)c2nccnc2c2c1n(C)c(n2)N,1
-hansen_111-21-7,CC(=O)OCCOCCOCCOC(=O)C,1
-hansen_78-63-7,CC(OOC(C)(C)C)(CCC(OOC(C)(C)C)(C)C)C,0
-hansen_98-29-3,Oc1ccc(cc1O)C(C)(C)C,0
-hansen_91-58-7,Clc1ccc2c(c1)cccc2,0
-hansen_123-66-0,CCCCCC(=O)OCC,0
-hansen_78-83-1,OCC(C)C,0
-hansen_23815-63-6,OC(=O)C(CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])N,1
-hansen_7151-65-7,CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)Cl,1
-hansen_90147-19-6,[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OCCCC,1
-hansen_119260-67-2,O=Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,0
-hansen_192-65-4,c1ccc2c(c1)c1ccc3c4c1c(c2)c1ccccc1c4ccc3,1
-hansen_333-27-7,COS(=O)(=O)C(F)(F)F,1
-hansen_54-85-3,NNC(=O)c1ccncc1,1
-hansen_83053-57-0,CCOc1cc2C(=O)CCc2c2c1c1ccccc1cc2,0
-hansen_55256-58-1,COc1c2c(OC3C2C=CO3)cc2c1c(=O)c1c(o2)ccc(c1OC)Cl,1
-hansen_218-21-3,c1ccc2c(n1)c1ccc3c(c1cc2)cccn3,1
-hansen_2519-30-4,CC(=O)Nc1ccc(c2c1c(O)c(N=Nc1ccc(c3c1cc(cc3)S(=O)(=O)O)N=Nc1ccc(cc1)S(=O)(=O)O)c(c2)S(=O)(=O)O)S(=O)(=O)O,0
-hansen_NOCAS_M575,C[C@H](C(=O)NCC(=O)O)S,0
-hansen_161221-84-7,COc1c2c(ccc(c2cc(c1c1cc(OC(=O)C)c2c(c1OC(=O)C)cc(cc2OC)C)C)OC(=O)C)OC(=O)C,0
-hansen_3740-52-1,OC(=O)Cc1ccccc1[N+](=O)[O-],1
-hansen_126-27-2,OCCN(CC(=O)N(C(Cc1ccccc1)(C)C)C)CC(=O)N(C(Cc1ccccc1)(C)C)C,0
-hansen_NOCAS_M11,CCN(CCC[C@H](Nc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)C)CC,1
-hansen_66-27-3,COS(=O)(=O)C,1
-hansen_2429-82-5,Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,1
-hansen_20268-51-3,[O-][N+](=O)c1c2ccc3c(c2cc2c1cccc2)cccc3,0
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-hansen_2837-89-0,FC(C(F)(F)F)Cl,0
-hansen_139-96-8,CCCCCCCCCCCCOS(=O)(=O)O,0
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-hansen_107-20-0,ClCC=O,1
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-hansen_68267-99-2,ClCCC(=O)N(c1snc2c1cccc2)C,1
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-hansen_32451-61-9,NC(=O)Nc1cccc2c1nccc2,0
-hansen_189-55-9,c1ccc2c(c1)c1ccc3c4c1c(c2)ccc4cc1c3cccc1,1
-hansen_130933-91-4,OC1C2OC2c2c(C1O)ccc1c2cc2cccc3c2c1C=C3,1
-hansen_96-47-9,CC1CCCO1,0
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-hansen_100-02-7,Oc1ccc(cc1)[N+](=O)[O-],0
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-hansen_102791-32-2,O=c1c2cccc3c2c2c(c1=O)c(ccc2cc3)[N+](=O)[O-],1
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-hansen_112309-62-3,ClC(C(=CC(=O)O)C(Cl)Cl)Cl,1
-hansen_24096-53-5,O=C1CCC(=O)N1c1cc(Cl)cc(c1)Cl,0
-hansen_6931-54-0,CC1(C)C2CCC3(C1C2)CO3,0
-hansen_6548-29-4,Clc1cc(ccc1N=Nc1c2ccc(cc2cc(c1N)S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)Cl)N=Nc1c2ccc(cc2cc(c1N)S(=O)(=O)O)S(=O)(=O)O,0
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-hansen_60391-92-6,O=NN(C(=O)N)CC(=O)O,0
-hansen_57074-51-8,O[C@H]1O[C@@H](O)[C@]2([C@H](C1)[C@@H](C)C[C@@H]1[C@H](C2)C(=C)C(=O)O1)C,1
-hansen_646-14-0,CCCCCC[N+](=O)[O-],0
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-hansen_220168-39-8,O=C(N(OC(=O)c1ccccc1)OCc1ccccc1)c1ccccc1,1
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-hansen_364-74-9,Fc1ccc(c(c1)[N+](=O)[O-])F,1
-hansen_149127-58-2,CCCN=NC(OO)(C)C,1
-hansen_396-32-7,Fc1ccc2c(c1)nccc2,1
-hansen_593-60-2,BrC=C,1
-hansen_53198-46-2,O=NN([C@@H](c1ccccc1)OC(=O)C)C,1
-hansen_623-30-3,O=C/C=C\c1ccco1,0
-hansen_NOCAS_M249,N[C@H](C(=O)O)CCC(=O)NNc1ccccc1,1
-hansen_97-56-3,Cc1cc(ccc1N)N=Nc1ccccc1C,1
-hansen_NOCAS_M497,CCOC(=O)[C@@H](c1ccccc1)SP(=S)(OC)OC,0
-hansen_5776-39-6,C[n+]1c2ccccc2cc2c1cccc2,1
-hansen_25376-45-8,Cc1cc(N)cc(c1)N,0
-hansen_3333-52-6,N#CC(C(C#N)(C)C)(C)C,0
-hansen_89-87-2,Cc1ccc(c(c1)C)[N+](=O)[O-],1
-hansen_547-58-0,CN(c1ccc(cc1)N=Nc1ccc(cc1)S(=O)(=O)O)C,0
-hansen_499-75-2,CC(c1ccc(c(c1)O)C)C,0
-hansen_129-43-1,Oc1cccc2c1C(=O)c1ccccc1C2=O,1
-hansen_1465-25-4,NCCNc1cccc2c1cccc2,1
-hansen_NOCAS_M537,SC[C@H]([C@@H]1CC[C@H]([C@@H](C1)S)C)C,0
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-hansen_555-03-3,COc1cccc(c1)[N+](=O)[O-],0
-hansen_29706-59-0,OCc1c(OC2OC(COC3OCC(C(C3O)O)O)C(C(C2O)O)O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,1
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-hansen_NOCAS_M438,CCOC(=O)C[C@@H](C(=O)OCC)S[P@](=O)(SC)OC,0
-hansen_NOCAS_M100,C#C[C@](c1ccc(c(c1)C)C)(c1ccccc1)OC(=O)NC1CCCCC1,1
-hansen_4196-86-5,COCC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)COC(=O)c1ccccc1,0
-hansen_6967-29-9,ClCC(=O)Nc1c(CC)cccc1CC,1
-hansen_4359-61-9,NN(C(=O)C)C(=O)C,0
-hansen_67730-10-3,Nc1ccc2c(n1)n1ccccc1n2,1
-hansen_15791-78-3,OCCc1ccc(cc1)Nc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1[N+](=O)[O-])O,1
-hansen_6270-13-9,OCCN(c1ccc2c(c1)cccc2)CCO,1
-hansen_119-61-9,O=C(c1ccccc1)c1ccccc1,0
-hansen_53-03-2,OCC(=O)C1(O)CCC2C1(C)CC(=O)C1C2CCC2=CC(=O)C=CC12C,1
-hansen_105801-28-3,O=CN(c1ccc(cc1)Oc1ccc(cc1)Cl)O,1
-hansen_79-21-0,CC(=O)OO,0
-hansen_111-96-6,COCCOCCOC,0
-hansen_26148-68-5,Nc1ccc2c(n1)[nH]c1c2cccc1,1
-hansen_1077-28-7,OC(=O)CCCC[C@H]1SSCC1,0
-hansen_31969-03-6,Cc1c(C)cccc1N=Nc1c(O)ccc2c1cccc2,0
-hansen_35250-53-4,SCCc1cnccn1,0
-hansen_720-69-4,Nc1nc(nc(n1)N)c1ccc(o1)[N+](=O)[O-],1
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-hansen_14448-67-0,N/N=c/1\sc2c(n1C)cccc2,1
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-hansen_1253-84-5,CC(CCCC(C1CCC2C1(C)CCC1C2CC(C2(C1(C)CCC(C2)O)O)O)C)C,1
-hansen_3385-21-5,NC1CCCC(C1)N,0
-hansen_113779-16-1,c1ccc2c(c1)c1ccc3c4c1c1c2cccc1cc4C=C3,1
-hansen_75464-11-8,CCCC(=O)C1c2cccc(c2C(=O)c2c1cccc2O)O,1
-hansen_NOCAS_M520,CC(=C)[C@@H]1CC=C([C@H](C1)O)C,0
-hansen_2835-39-4,C=CCOC(=O)CC(C)C,0
-hansen_43210-67-9,COC(=O)Nc1[nH]c2c(n1)cc(cc2)Sc1ccccc1,0
-hansen_100-11-8,BrCc1ccc(cc1)[N+](=O)[O-],1
-hansen_109380-46-3,[O-][N+](=O)c1cc2c(C(C(=O)OCC)C#N)snc2cc1,1
-hansen_1608-51-1,Fc1ccc(cc1)/C=C/C(=O)c1ccccc1,0
-hansen_830-96-6,OC(=O)CCc1c[nH]c2c1cccc2,0
-hansen_6281-32-9,OCc1ccnc2c1cccc2,0
-hansen_3475-63-6,O=CN(C(=O)N(C)C)C,1
-hansen_7269-60-5,ONc1ncnc2c1ncn2C,1
-hansen_85-44-9,O=C1OC(=O)c2c1cccc2,0
-hansen_74518-94-8,N#Cc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],1
-hansen_133550-91-1,OCc1ccc2c3c1-c1ccccc1-c3ccc2,0
-hansen_87638-04-8,NC(=O)OCC1C(NC(=O)/C(=N\OCC(=O)O)/c2csc(n2)N)C(=O)N1S(=O)(=O)O,0
-hansen_133591-35-2,[O-][N+](=O)c1ccc2c(c1)c1c([nH]2)c(C)cc(c1C)[N+](=O)[O-],1
-hansen_53330-03-3,NC(C(=O)O)CSC(=O)NCCCl,1
-hansen_3586-69-4,[O-][N+](=O)c1ccc2c(c1)cc1c(c2)cccc1,1
-hansen_112-56-1,CCCCOCCOCCSC#N,0
-hansen_194-59-2,c1ccc2c(c1)ccc1c2c2c([nH]1)ccc1c2cccc1,1
-hansen_109-73-9,CCCCN,0
-hansen_33611-88-0,[O-][N+](=O)c1c(cc2c3c1-c1ccccc1-c3ccc2)[N+](=O)[O-],1
-hansen_16495-13-9,O(Cc1ccccc1)CC1OC1,1
-hansen_30235-27-9,Nc1scc(n1)c1cccnc1,0
-hansen_102-16-9,O=C(Cc1ccccc1)OCc1ccccc1,0
-hansen_64521-09-1,O=NN(C(=O)Oc1ccc(c(c1C)C)C)C,1
-hansen_93793-83-0,O=C(COC(=O)C)NCCCOc1cccc(c1)CN1CCCCC1,0
-hansen_10353-99-8,[O-][N+](=O)c1ccc2c3c1cccc3C=C2,1
-hansen_6959-48-4,ClCc1cccnc1,1
-hansen_155-09-9,N[C@@H]1C[C@H]1c1ccccc1,0
-hansen_316-49-4,Cc1cccc2c1ccc1c2cc2c(c1)cccc2,1
-hansen_100-44-7,ClCc1ccccc1,1
-hansen_126370-97-6,FC(c1cccc(c1)CN1C2C1c1ccccc1-c1c2cccc1)(F)F,1
-hansen_84736-60-7,O=CN(c1ccc(cc1)[N+](=O)[O-])O,1
-hansen_77287-29-7,COC(=O)C(Cl)C,1
-hansen_1668-19-5,CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C,0
-hansen_NOCAS_M346,C[C@H](CCc1ccccc1)NC[C@H](c1ccc(c(c1)C(=O)N)O)O,0
-hansen_54897-63-1,CCN(CCCC(=O)O)N=O,1
-hansen_21388-97-6,CC(=O)OCc1cccc(c1)[N+](=O)[O-],0
-hansen_100-27-6,OCCc1ccc(cc1)[N+](=O)[O-],1
-hansen_107-11-9,NCC=C,0
-hansen_42028-27-3,CCc1cc2C(=O)CCc2c2c1c1ccccc1cc2,1
-hansen_517-66-8,COc1cc2-c3c4OCOc4cc4c3C(Cc2cc1OC)N(C)CC4,1
-hansen_97467-07-7,C[N+]1=CC=C(CC1)c1ccccc1,1
-hansen_134-31-6,Oc1cccc2c1nccc2,1
-hansen_7417-67-6,O=NN(C(=O)C)C,1
-hansen_196-77-0,c1cc2ccc3c4c2c(c1)ccc4c1c2c3cccc2C=C1,1
-hansen_34244-14-9,Clc1ccc2c3c1ccc1c3c(cc2)ccc1,1
-hansen_40321-98-0,CCC(COC(=O)c1ccccc1C(=O)O)CCC(=O)C,0
-hansen_134-62-3,CCN(C(=O)c1cccc(c1)C)CC,0
-hansen_2379-74-0,Clc1cc2S/C(=C/3\Sc4c(C3=O)c(C)cc(c4)Cl)/C(=O)c2c(c1)C,0
-hansen_122033-85-6,OC1C2OC2c2c(C1O)ccc1c2c(C)ccc1C,1
-hansen_2381-16-0,Cc1ccc2c(c1)cc1c(c2)c2ccccc2cc1,1
-hansen_99-54-7,[O-][N+](=O)c1ccc(c(c1)Cl)Cl,1
-hansen_68941-03-7,Nc1ccc(cc1)N(c1ccc2c(c1)cccc2)c1ccc2c(c1)cccc2,0
-hansen_118499-61-9,OC1c2cc3ccc4c5c3c(c2C(C(C1O)S(=O)(=O)O)O)ccc5ccc4,0
-hansen_109143-16-0,ClCCN(c1ccc2c(c1)cc(o2)[N+](=O)[O-])CCCl,1
-hansen_124617-84-1,CCCCON(C(=O)c1ccccc1)OC(=O)C,1
-hansen_224-53-3,c1ccc2c(c1)ccc1c2nc2c(c1)ccc1c2cccc1,1
-hansen_4691-65-0,OC1C(O)C(OC1n1cnc2c1ncnc2O)COP(=O)(O)O,0
-hansen_107-44-8,CC(OP(=O)(F)C)C,0
-hansen_1794-84-9,[O-][N+](=O)CCl,1
-hansen_156215-58-6,Cn1c(N)nc2c1cc1ccccc1n2,1
-hansen_136-77-6,CCCCCCc1ccc(cc1O)O,0
-hansen_102029-81-2,CC(C(=O)O)N,0
-hansen_2541-69-7,Cc1c2ccc3c(c2cc2c1cccc2)cccc3,1
-hansen_589-17-3,ClCc1ccc(cc1)Br,0
-hansen_106-93-4,BrCCBr,1
-hansen_98-88-4,ClC(=O)c1ccccc1,1
-hansen_94-25-7,CCCCOC(=O)c1ccc(cc1)N,0
-hansen_87259-00-5,OC1C=Cc2c(C1O)c([N+](=O)[O-])c1c(c2)c2ccccc2cc1,1
-hansen_89-69-0,Clc1cc([N+](=O)[O-])c(cc1Cl)Cl,1
-hansen_3018-12-0,ClC(C#N)Cl,1
-hansen_574-06-1,CC(=O)OC(C(=O)c1ccccc1)c1ccccc1,0
-hansen_56-75-7,OCC(C(c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl,0
-hansen_528-53-0,Oc1cc(O)c2c(c1)[o+]c(c(c2)O)c1cc(O)c(c(c1)O)O,0
-hansen_202345-21-9,ONc1nc2[nH]c3c(c2cc1C)cccc3,1
-hansen_NOCAS_M162,O=C(c1cccc(c1)C(=O)OC[C@@H]1OC1)OC[C@@H]1OC1,1
-hansen_68268-00-8,ClCCCC(=O)N(c1snc2c1cccc2)C,0
-hansen_63785-42-2,OS(=O)(=O)Oc1cccc2c1cc1ccc3c4c1c2ccc4ccc3,0
-hansen_49562-28-9,CC(OC(=O)C(Oc1ccc(cc1)C(=O)c1ccc(cc1)Cl)(C)C)C,0
-hansen_634-66-2,Clc1c(Cl)ccc(c1Cl)Cl,0
-hansen_98105-99-8,Fc1ccc(cc1)n1cc(C(=O)O)c(=O)c2c1cc(N1CCNCC1)c(c2)F,0
-hansen_298-02-2,CCSCSP(=S)(OCC)OCC,0
-hansen_107-70-0,COC(CC(=O)C)(C)C,0
-hansen_128350-00-5,N#C/C(=C\C(C(C(c1ccc(c(c1)Cl)Cl)C#N)c1ccccc1)C)/c1ccc(c(c1)Cl)Cl,1
-hansen_84-15-1,c1ccc(cc1)c1ccccc1c1ccccc1,0
-hansen_50-45-3,OC(=O)c1cccc(c1Cl)Cl,0
-hansen_140-53-4,N#CCc1ccc(cc1)Cl,0
-hansen_548-62-9,C[N+](=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccc(cc2)N(C)C)C=C1)C,0
-hansen_5802-60-8,NN(Cc1ccccc1)Cc1ccccc1,0
-hansen_106532-64-3,O=C(C(C)C)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)C(C)C,1
-hansen_611-09-6,O=C1Nc2c(C1=O)cc(cc2)[N+](=O)[O-],1
-hansen_59-49-4,Oc1nc2c(o1)cccc2,0
-hansen_2358-84-1,O=C(C(=C)C)OCCOCCOC(=O)C(=C)C,0
-hansen_98025-31-1,OC(=O)C(CSC(=C(Cl)Cl)Cl)N,1
-hansen_120812-51-3,[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2CCCC3)c(cc1)[N+](=O)[O-],1
-hansen_86-88-4,NC(=S)Nc1cccc2c1cccc2,1
-hansen_20562-02-1,OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@@H]4[C@@H]3[C@H](C)[C@@H]3N4C[C@H](CC3)C)C)C2)C)[C@H]([C@H]([C@H]1O)O[C@@H]1O[C@@H](CO)[C@H]([C@H]([C@H]1O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O,0
-hansen_26049-69-4,CN(Nc1scc(n1)c1ccc(o1)[N+](=O)[O-])C,1
-hansen_872-05-9,CCCCCCCCC=C,0
-hansen_58658-11-0,Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,1
-hansen_74-11-3,OC(=O)c1ccc(cc1)Cl,0
-hansen_84174-20-9,COc1ccc(cc1)CN(N=O)C,0
-hansen_536-33-4,CCc1nccc(c1)C(=S)N,0
-hansen_1528-74-1,[O-][N+](=O)c1ccc(cc1)c1ccc(cc1)[N+](=O)[O-],1
-hansen_508-71-4,C=CC1(C)CCC2(C(C1)C(=O)CC1C32CCCC1(C(=O)O3)C)C,0
-hansen_NOCAS_M261,Cl[C@H](C#N)Br,1
-hansen_97055-37-3,ClC(C(=C(C(=O)O)Cl)C(Cl)Cl)Cl,1
-hansen_78967-07-4,COc1ccc(cc1)c1c(onc1c1ccc(cc1)OC)CC(=O)O,0
-hansen_NOCAS_M195,[O-][N+](=O)c1ccc2c3c1ccc1c3c([C@H]3[C@@H]2O3)ccc1,1
-hansen_58071-32-2,OC[C@@H]1O[C@@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCNCCCNC(=N)CC2CCC(CC2)Cl)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O,1
-hansen_NOCAS_M143,Cc1c2[C@H]3N[C@H]3c3c(-c2cc2c1cccc2)cccc3,1
-hansen_1072-52-2,OCCN1CC1,1
-hansen_5307-14-2,Nc1ccc(c(c1)[N+](=O)[O-])N,1
-hansen_75-69-4,FC(Cl)(Cl)Cl,0
-hansen_7661-55-4,Cc1cccc2c1cccn2,1
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-hansen_NOCAS_M12,ClCCN([C@@H](COc1ccccc1)C)Cc1ccccc1,1
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-hansen_135-68-2,Nc1ccc(cc1)c1ccc(cc1)Cl,1
-hansen_42978-43-8,CC(=O)OCc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,1
-hansen_80-70-6,CN(C(=N)N(C)C)C,0
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-hansen_37841-91-1,O=CC1=CC2CC(CC2C2(C1(C=O)C2)C)(C)C,1
-hansen_85-86-9,Oc1ccc2c(c1N=Nc1ccc(cc1)N=Nc1ccccc1)cccc2,1
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-hansen_79-15-2,NC(=O)CBr,0
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-hansen_4655-34-9,CC(OC(=O)C(=C)C)C,0
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-hansen_371-40-4,Nc1ccc(cc1)F,1
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-hansen_185-72-8,O1CCC2(CC1)CO2,1
-hansen_52253-69-7,Nc1scc(n1)c1ccccc1,1
-hansen_111712-50-6,CC(C(CCl)Br)Br,1
-hansen_6452-71-7,C=CCOc1ccccc1OCC(CNC(C)C)O,0
-hansen_486-66-8,Oc1ccc(cc1)c1coc2c(c1=O)ccc(c2)O,0
-hansen_79-34-5,ClC(C(Cl)Cl)Cl,0
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-hansen_106-47-8,Nc1ccc(cc1)Cl,1
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-hansen_2373-51-5,CSCCl,1
-hansen_3717-88-2,O=C(c1cccc2c1oc(c1ccccc1)c(c2=O)C)OCCN1CCCCC1,0
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-hansen_16664-45-2,Cc1cc(C)c2c(c1)c1ccccc1cc2,1
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-hansen_59-14-3,OCC1OC(CC1O)n1cc(Br)c(=O)[nH]c1=O,0
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-hansen_82389-38-6,CC(=O)Nc1ccc(cc1)C(=O)[C@@H]1O[C@H]1c1ccccc1,1
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-hansen_3351-32-4,Cc1ccc2c(c1)ccc1c2ccc2c1cccc2,1
-hansen_150446-01-8,Clc1ccc(cc1)Cn1c2ccc(cc2c(c1C)/C=N/OCc1ccc(cc1Cl)Cl)[N+](=O)[O-],0
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-hansen_610-49-1,Nc1cccc2c1cc1ccccc1c2,1
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-hansen_202-03-9,c1ccc2c(c1)cc1c3c2C=Cc3ccc1,1
-hansen_155164-65-1,CCCCC(=O)n1ncc(c(c1=O)Cl)Cl,0
-hansen_830-07-9,[O-][N+](=O)/C=C/c1ccc(o1)[N+](=O)[O-],1
-hansen_106532-66-5,CCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCC,1
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-hansen_76113-31-0,[O-][N+](=O)c1cc2c3ccccc3sc2c2c1cccc2,1
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-hansen_15121-84-3,OCCc1ccccc1[N+](=O)[O-],1
-hansen_6138-79-0,Cc1ccc(cc1)/C(=C\CN1CCCC1)/c1ccccn1,0
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-hansen_NOCAS_M118,C[C@H]1CN1,1
-hansen_611-36-9,Oc1ccnc2c1cccc2,0
-hansen_92072-10-1,[O-][N+](=O)c1ccc2c3c1cccc3c1c3c2c(ccc3ccc1)[N+](=O)[O-],1
-hansen_89021-88-5,O=C(N[C@H](C(=O)NCC(=O)O)CS/C(=C(\C(=C(Cl)Cl)Cl)/Cl)/Cl)CC[C@@H](C(=O)O)N,1
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-hansen_67-97-0,CC(CCC[C@H]([C@@H]1CC[C@H]2[C@@]1(C)CCC/C/2=C/C=C\1/C[C@@H](O)CCC1=C)C)C,0
-hansen_629-14-1,CCOCCOCC,1
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-hansen_6232-91-3,COc1ccc2c(c1)nc([nH]2)N,0
-hansen_133830-97-4,CCC1c2ccc(cc2C(=C1c1ccc(cc1)O)C)O,0
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-hansen_1146-04-9,OC1C2=C(C)C3(C(C(=O)C2=CC1(C)C)(C)O)CC3,1
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-hansen_1163-05-9,[O-][n+]1c2ccc3c(c2cc2c1ccc1c2cccc1)cccc3,0
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-hansen_6533-68-2,OC[C@@H](c1ccccc1)C(=O)O[C@@H]1C[C@@H]2N([C@H](C1)[C@H]1[C@@H]2O1)C,0
-hansen_126222-34-2,O=C(C(Cc1c[nH]cn1)NC(=O)C(CS(=O)(=O)C(C)(C)C)Cc1ccccc1)NC(C(C(C1CC1)O)O)CC1CCCCC1,0
-hansen_55557-00-1,O=NN1CCCN(CC1)N=O,1
-hansen_95050-14-9,[O-][N+](=O)c1cccc2-c3c4c(-c12)ccc1c4c2c(c3)cccc2cc1,1
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-hansen_30517-66-9,Oc1cc2OC3C(c2c2c1c(=O)c1c(o2)cccc1O)CCO3,0
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-hansen_202-33-5,c1ccc2c(c1)ccc1c2cc2cccc3c2c1C=C3,1
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-hansen_NOCAS_M286,O1C[C@@H]1c1ccccc1,1
-hansen_13365-37-2,CN(CCCNc1c2ccccc2nc2c1cccc2)C,1
-hansen_1456-28-6,CC1OC(C)CN(C1)N=O,1
-hansen_29128-23-2,[O-][N+](=O)c1cc(cc(c1c1ccccc1)[N+](=O)[O-])[N+](=O)[O-],1
-hansen_1613-37-2,[O-][n+]1cccc2c1cccc2,0
-hansen_19770-52-6,c1ccc2c(c1)cc1c3c2C=Cc3c2c(c1)cccc2,1
-hansen_76-14-2,FC(C(Cl)(F)F)(Cl)F,0
-hansen_13849-08-6,O=c1ccc2c(o1)cc1c(c2)CC(O1)C(O)(C)C,1
-hansen_24245-99-6,[O-][N+](=O)c1ccc2c(c1)csn2,1
-hansen_120-40-1,CCCCCCCCCCCC(=O)N(CCO)CCO,0
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-hansen_101821-44-7,Brc1ccc2c(c1)[nH]c(c2)C(=N)N,0
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-hansen_128753-88-8,COc1cccc2c1OC1(C2(C)OO1)C,1
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-hansen_73-24-5,Nc1[nH]cnc2-c1ncn2,1
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-hansen_NOCAS_M234,c1ccc2-c3cc4ccc5c(c4cc3[C@@H]3[C@H](c2c1)O3)cccc5,1
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-hansen_13154-57-9,O=C1C(=CC(C=C1C(C)(C)C)(C)OOC(C)(C)C)C(C)(C)C,0
-hansen_5208-87-7,C=C[C@H](c1ccc2c(c1)OCO2)O,0
-hansen_39013-93-9,ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2nccc1)CC,1
-hansen_112077-92-6,CC(=O)ON(c1ccccc1C)C(=O)C,0
-hansen_124-64-1,OCP(CO)(CO)CO,0
-hansen_20562-03-2,OCC1OC(OC2CCC3(C(=CCC4C3CCC3(C4CC4C3C(C)C3N4CC(CC3)C)C)C2)C)C(C(C1OC1OC(C)C(C(C1O)O)O)O)OC1OC(C)C(C(C1O)O)O,0
-hansen_481-49-2,COc1cc2CCN([C@H]3c2cc1Oc1c2c(CCN([C@H]2Cc2ccc(Oc4cc(C3)ccc4OC)cc2)C)cc2c1OCO2)C,1
-hansen_462-60-2,NC(=O)NCC(=O)O,0
-hansen_109-83-1,CNCCO,0
-hansen_1709-39-3,CCN(S(=O)(=O)c1ccc(cc1)N)CC,0
-hansen_54484-91-2,OCc1ccc2c3c1Sc1cc(Cl)ccc1-c3nn2CC[N+](CC)(CC)[O-],1
-hansen_97-54-1,C/C=C\c1ccc(c(c1)OC)O,0
-hansen_616-40-0,CCN(CC)N,0
-hansen_60262-87-5,OC1C(O)C(Oc2ccc3c(c2)c2ccc4c5c2c(c3)ccc5ccc4)OC(C1O)C(=O)O,0
-hansen_1633-83-6,O=S1(=O)CCCCO1,1
-hansen_57309-38-3,ON1c2ccccc2/C(=N\c2ccccc2)/C1(C)c1ccccc1,0
-hansen_112653-29-9,OCC(N[C@@H]1C[C@](O)(CO)[C@@H]([C@H]([C@@H]1O)O)O)CO,0
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-hansen_NOCAS_M120,C[C@@H]1O[C@@H](C)O[C@H](C1)OC(=O)C,1
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-hansen_51-30-9,CC(NCC(c1ccc(c(c1)O)O)O)C,0
-hansen_17700-09-3,[O-][N+](=O)c1ccc(c(c1Cl)Cl)Cl,1
-hansen_29082-75-5,ClC(=Cc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl)Cl,0
-hansen_67-21-0,CCSCC[C@@H](C(=O)O)N,0
-hansen_36504-67-3,c1cc2ccc3c4c2c(c1)ccc4cc1c3CC[C@@H]2[C@H]1O2,1
-hansen_97055-38-4,COC1OC(=O)C(=C1C(Cl)Cl)Cl,1
-hansen_65445-61-6,ClC1CCN(CC1)N=O,1
-hansen_118-96-7,[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,1
-hansen_5667-20-9,ONc1[nH]cnc2-c1ncn2,1
-hansen_84-66-2,CCOC(=O)c1ccccc1C(=O)OCC,0
-hansen_116374-65-3,CN(CCCNc1c2ccccc2nc2c1c(ccc2Cl)[N+](=O)[O-])C,1
-hansen_24496-65-9,c1ccc2c(c1)cc1c3c2cnc2c3c(cc1)ccc2,1
-hansen_3397-62-4,Nc1nc(N)nc(n1)Cl,0
-hansen_134-32-7,Nc1cccc2c1cccc2,1
-hansen_15110-74-4,[O-][N+](=O)c1ccc2-c3c(Cc2c1)cccc3[N+](=O)[O-],1
-hansen_501-53-1,ClC(=O)OCc1ccccc1,0
-hansen_605-94-7,COC1=C(OC)C(=O)C(=CC1=O)C,0
-hansen_157996-59-3,Brc1ccc2c(c1)c(N)c1c(n2)cccc1,1
-hansen_72-33-3,C#CC1(O)CCC2C1(C)CCC1C2CCc2c1ccc(c2)OC,0
-hansen_13177-29-2,[O-][N+](=O)c1cc2cccc3-c4c(-c(c1)c23)cccc4,1
-hansen_29916-56-1,[O-][N+](=O)C1CCCC1,1
-hansen_483-65-8,CC(c1ccc2c(c1)ccc1c2cccc1C)C,0
-hansen_81424-67-1,CNC(=O)ON(C(=O)NC)C(=O)C,1
-hansen_434-13-9,O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@H](CCC(=O)O)C)C)C,0
-hansen_66-75-1,ClCCN(c1cnc(nc1O)O)CCCl,1
-hansen_112-70-9,CCCCCCCCCCCCCO,0
-hansen_162022-89-1,NNc1nncc2c1cncc2,1
-hansen_102-13-6,CC(COC(=O)Cc1ccccc1)C,0
-hansen_108171-26-2,CCCCCCCCCCCl,0
-hansen_14191-22-1,[O-][N+](=O)c1ccc2c(c1)[nH]c1c2cccc1,1
-hansen_26741-53-7,CC(c1cc(ccc1OP1OCC2(CO1)COP(OC2)Oc1ccc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)C,0
-hansen_15386-58-0,O=C1CCC(=O)N1c1ccc(c(c1)Cl)Cl,0
-hansen_75-36-5,CC(=O)Cl,0
-hansen_2402-77-9,Clc1ncccc1Cl,1
-hansen_33229-34-4,OCCNc1ccc(cc1[N+](=O)[O-])N(CCO)CCO,1
-hansen_518-82-1,Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)O,1
-hansen_523-66-0,COc1ccc2c(c1)nc1c(c2OC)cco1,1
-hansen_22608-53-3,COP(=O)(SC)SC,0
-hansen_111-77-3,COCCOCCO,0
-hansen_771-97-1,Nc1cc2ccccc2cc1N,1
-hansen_56257-59-1,Oc1ccc2-c3ccc(c4c3C(C3c2c1C(=O)C1OC31)(O)CCC4=O)O,1
-hansen_77-81-6,CCOP(=O)(N(C)C)C#N,0
-hansen_345667-02-9,ONc1ccc(cc1)c1ccc(cc1)C(C)(C)C,1
-hansen_115-86-6,O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1,0
-hansen_NOCAS_M201,OC[C@H]1CO1,1
-hansen_610-15-1,[O-][N+](=O)c1ccccc1C(=O)N,1
-hansen_57011-48-0,OC(CN=N#N)CN=N#N,1
-hansen_194590-84-6,COCCN(c1cc(NC(=O)C)c(cc1OC)n1nc2c(n1)c(Br)cc(c2Cl)N)CCOC,1
-hansen_159092-84-9,[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1c(c2)[N+](=O)[O-])[N+](=O)[O-],1
-hansen_939-99-1,ClCc1ccc(cc1)C(F)(F)F,0
-hansen_70-30-4,Clc1cc(Cl)c(c(c1O)Cc1c(O)c(Cl)cc(c1Cl)Cl)Cl,0
-hansen_28622-66-4,OC1C=Cc2c(C1O)ccc1c2cccc1,1
-hansen_20268-52-4,Clc1c2ccc3c(c2cc2c1cccc2)cccc3,1
-hansen_14064-58-5,COc1cccc(c1)/C=C/c1ccc(cc1)[N+](=O)[O-],1
-hansen_128349-98-4,N#C/C(=C/C(C(C(c1ccc(cc1)Br)C#N)c1ccccc1)C)/c1ccc(cc1)Br,0
-hansen_5709-68-2,[O-][N+](=O)c1nc2c(n1C)cccc2,1
-hansen_NOCAS_M283,BrC[C@H]1CO1,1
-hansen_68268-12-2,ClCCCC(=O)N(c1snc2c1cccc2)CC,0
-hansen_98499-59-3,CSCNc1ccccc1,1
-hansen_134998-77-9,[O-][N+](=O)c1cc2cccc3c2c2c1cccc2c1c3cccc1,1
-hansen_627-11-2,ClCCOC(=O)Cl,0
-hansen_67019-22-1,O=C(C(C)C)Nc1snc2c1cccc2,0
-hansen_77376-01-3,CC(=O)OCc1ccccc1[N+](=O)[O-],0
-hansen_7227-91-0,CN(N=Nc1ccccc1)C,1
-hansen_2578-75-8,CC(=O)Nc1nnc(s1)c1ccc(o1)[N+](=O)[O-],1
-hansen_82389-34-2,O=C(C1OC1c1ccc(cc1)c1ccccc1)c1ccccc1,0
-hansen_6428-94-0,Oc1ccc(c(c1)O)N=Nc1ccc(cc1)[N+](=O)[O-],0
-hansen_38848-76-9,CCCCCCCCCCCCCC(=O)[N-][N+](CC(O)C)(C)C,0
-hansen_115664-51-2,[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c(cc2)ccc1O,1
-hansen_55520-40-6,OC(=O)C(Cc1ccc(cc1)O)N,0
-hansen_77109-49-0,BrCCSCC(C(=O)OC)NC(=O)C,1
-hansen_135-73-9,BrCC(=O)c1ccc(cc1)c1ccccc1,1
-hansen_19213-10-6,O=C(Nc1ccc(cc1)O)CC(=O)C,0
-hansen_86854-03-7,O=C1c2ccccc2-c2c1c1c(cc2)ccc2c1cccc2,0
-hansen_79748-81-5,OCC[C@]1(O)NC(=O)[C@]2([C@@H]1O2)C(=O)/C(=C/C=C/C(=C/C(=C/C(=C\C)/C(=O)OC)/C)/C)/C,1
-hansen_123098-37-3,CC(=O)N1CNC(=O)N(C1=O)C(=O)C,0
-hansen_61477-94-9,CC1CCCC(N1CCCC(c1ccccn1)(c1ccccc1)O)C,0
-hansen_54567-09-8,OCCN(c1ccc(cc1)N=Nc1ccc(cc1C#N)[N+](=O)[O-])CCO,1
-hansen_1088-11-5,O=C1CN=C(c2c(N1)ccc(c2)Cl)c1ccccc1,0
-hansen_13360-61-7,CCCCCCCCCCCCCC=C,0
-hansen_90745-27-0,[O-][N+](=O)c1cccc2c1c(C)ccc2,1
-hansen_142-46-1,NC(=S)NNC(=S)N,0
-hansen_6530-27-4,ONc1ccc(cc1)N=Nc1ccccc1,1
-hansen_NOCAS_M259,O=C(OC[C@H]1CO1)CCCCCC(C)(C)C,1
-hansen_134-58-7,Nc1nc(O)c2c(n1)nn[nH]2,0
-hansen_59405-72-0,CCCCOc1ccc(cn1)N=Nc1ccc(cc1)N(CC)CC,1
-hansen_98447-34-8,CCCC(=O)Nc1snc2c1ccc(c2)Cl,0
-hansen_115314-17-5,[O-][N+](=O)c1cccc(c1)S(=O)(=O)OC[C@H]1CO1,1
-hansen_7300-59-6,O=C(Nc1ccc(cc1)[N+](=O)[O-])CCC(C(=O)O)N,0
-hansen_478-43-3,Oc1cc(cc2c1C(=O)c1c(C2=O)cccc1O)C(=O)O,1
-hansen_110-54-3,CCCCCC,0
-hansen_58718-48-2,[O-][N+](=O)c1cccc2c1nc1c(n2)cccc1[N+](=O)[O-],1
-hansen_103393-72-2,ClCc1ccc2-c3c4c(-c2c1)cccc4ccc3,1
-hansen_598-38-9,OCC(Cl)Cl,1
-hansen_159714-86-0,CCc1c2C3NC3c3c(-c2cc2c1cccc2)cccc3,1
-hansen_92-31-9,CN(c1ccc2c(c1)[s+]c1c(n2)cc(c(c1)N)C)C,1
-hansen_108529-37-9,CC(=O)Nc1nc2c(n1C)ccc1c2cccn1,1
-hansen_78-59-1,CC1=CC(=O)CC(C1)(C)C,0
-hansen_6382-01-0,OC(=O)CC[C@@H](C(=O)O)N,0
-hansen_22089-22-1,ClCCN(P1(=O)OCCCN1CCCl)CCCl,1
-hansen_18234-46-3,O=Cc1ccc2-c1cocc2COC(=O)C,1
-hansen_111712-51-7,ClCC(C(Br)(C)C)Br,0
-hansen_32959-60-7,Cc1ccccc1c1nc2c(o1)cccc2,0
-hansen_52-28-8,COc1ccc2c3c1O[C@H]1[C@@]43CCN([C@H](C2)[C@@H]4C=C[C@@H]1O)C,0
-hansen_937-40-6,O=NN(Cc1ccccc1)C,1
-hansen_NOCAS_M173,[O-][N+](=O)c1ccc2c3c1[C@@H]1O[C@@H]1c1c3c(cc2)ccc1,1
-hansen_42794-87-6,Fc1cc(cc(c1N)F)c1cc(F)c(c(c1)F)N,1
-hansen_85-82-5,Cc1cc(C)cc(c1)N=Nc1c(O)ccc2c1cccc2,0
-hansen_77191-36-7,O=C(Nc1c(C)cccc1C)CN1CCCC1=O,0
-hansen_NOCAS_M381,C=C[C@@](CCC=C(C)C)(O)C,0
-hansen_91575-28-9,CC(=O)Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,1
-hansen_2221-41-2,COc1c2cc(OC)ccc2nc2c1cco2,1
-hansen_22008-60-2,CSCCC(C(=O)NC(C(=O)O)Cc1ccccc1)NC=O,0
-hansen_53-70-3,c1ccc2c(c1)c1cc3ccc4c(c3cc1cc2)cccc4,1
-hansen_105708-79-0,CC(=O)OCc1ccc2c3c1ccc1c3c(cc2)ccc1,1
-hansen_113163-23-8,c1ccc2c(n1)c1CCC3C(c1cc2)O3,0
-hansen_151-50-8,[C-]#N,0
-hansen_83-66-9,COc1c([N+](=O)[O-])c(C)c(cc1C(C)(C)C)[N+](=O)[O-],0
-hansen_6473-13-8,Nc1ccc(c(c1)N)N=Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccc(cc1)Nc1ccc(cc1S(=O)(=O)O)N=Nc1c(O)c2cc(N=Nc3ccc(cc3N)N)ccc2cc1S(=O)(=O)O,1
-hansen_101126-65-2,[O-][N+](=O)c1c(Cl)c(Cl)c2c(c1Cl)Oc1c(O2)c(Cl)c(cc1)Cl,1
-hansen_32534-81-9,Brc1ccc(c(c1)Br)Oc1cc(Br)c(cc1Br)Br,0
-hansen_612-22-6,CCc1ccccc1[N+](=O)[O-],0
-hansen_2912-62-1,ClC(c1ccccc1)C(=O)Cl,1
-hansen_1197-55-3,OC(=O)Cc1ccc(cc1)N,1
-hansen_13889-92-4,CCCSC(=O)Cl,1
-hansen_4245-76-5,[O-][N+](=O)NC(=N)NC,1
-hansen_1934-20-9,Oc1ccc2c(c1N=Nc1ccccc1)ccc(c2)S(=O)(=O)O,0
-hansen_24279-91-2,COC(C1=C(N2CC2)C(=O)C(=C(C1=O)N1CC1)C)COC(=O)N,1
-hansen_128753-95-7,COCC12OOC2(C)c2c(O1)cccc2,1
-hansen_126420-93-7,Brc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,1
-hansen_110-88-3,O1COCOC1,0
-hansen_7085-55-4,OCCOc1cc(O)c2c(c1)oc(c(c2=O)OC1OC(COC2OC(C)C(C(C2O)O)O)C(C(C1O)O)O)c1ccc(c(c1)OCCO)OCCO,0
-hansen_63018-94-0,Cc1ccc2c(c1)c(C)c1c(c2C)cccc1,1
-hansen_14346-19-1,[O-][N+](=O)c1cc2c(N)snc2cc1,1
-hansen_81407-76-3,C/C=C/C1=CC(=O)C23C(C1=O)(O)OC(C3C2)(C)C,1
-hansen_NOCAS_M470,Cl[C@@H](C(F)(F)F)Br,0
-hansen_112-24-3,NCCNCCNCCN,1
-hansen_60-11-7,CN(c1ccc(cc1)N=Nc1ccccc1)C,1
-hansen_5786-21-0,CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2,0
-hansen_NOCAS_M288,C=CCCCC[C@@H]1OC1,1
-hansen_109-76-2,NCCCN,0
-hansen_62690-96-4,C1CC=C2C(C1)CCc1c2cccc1,1
-hansen_616-72-8,Cc1cc(C)c(cc1[N+](=O)[O-])[N+](=O)[O-],1
-hansen_612-12-4,ClCc1ccccc1CCl,0
-hansen_111380-10-0,Cn1cnc(c1c1ccccc1)[N+](=O)[O-],0
-hansen_4612-63-9,Cc1cc2-c3ccccc3Cc2cc1C,0
-hansen_2508-20-5,O=Nc1ccc2-c3c(Cc2c1)cccc3,1
-hansen_4947-27-7,Cc1ccc2c(c1Nc1ccccc1)C(=O)c1c(C2=O)cccc1,1
-hansen_101-80-4,Nc1ccc(cc1)Oc1ccc(cc1)N,1
-hansen_81-25-4,OC1CCC2(C(C1)CC(C1C2CC(O)C2(C1CCC2C(CCC(=O)O)C)C)O)C,1
-hansen_13107-39-6,Cc1ccc(cc1)[C@H]1OC1,1
-hansen_81-63-0,N=C1CCC(=N)c2c1c(O)c1c(c2O)cccc1,1
-hansen_6385-62-2,c1cc[n+]2c(-c3cccc[n+]3CC2)c1,0
-hansen_59-67-6,OC(=O)c1cccnc1,0
-hansen_2303-16-4,Cl/C=C(/CSC(=O)N(C(C)C)C(C)C)\Cl,1
-hansen_37571-88-3,OC1C(O)c2cccc3c2c2c1cc1ccccc1c2cc3,1
-hansen_115453-71-9,NC(C(=O)O)CS/C=C/Cl,1
-hansen_37574-48-4,Oc1cc2cc3ccccc3c3c2c2c1cccc2cc3,1
-hansen_1445-69-8,O=c1[nH][nH]c(=O)c2c1cccc2,0
-hansen_17024-18-9,[O-][N+](=O)c1ccc2c(c1)ccc1c2cccc1,1
-hansen_548-42-5,CC1=C[C@@H]2[C@H](N(C1)C)Cc1c3c2cccc3[nH]c1,1
-hansen_99520-58-8,Oc1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)cc2,1
-hansen_51868-46-3,C=CCN(c1cc(NC(=O)C)c(cc1OC)N=Nc1c(Br)cc(cc1[N+](=O)[O-])[N+](=O)[O-])CC=C,1
-hansen_92-84-2,c1ccc2c(c1)Sc1c(N2)cccc1,0
-hansen_193-54-4,c1ccc2-c3c4c(-c2c1)ccc1c4c(cc3)C=C1,1
-hansen_53693-66-6,CCN(c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N(CC)CC)CC,1
-hansen_224-42-0,c1ccc2c(c1)ccc1c2cc2c(n1)ccc1c2cccc1,1
-hansen_586-78-7,Brc1ccc(cc1)[N+](=O)[O-],1
-hansen_107-06-2,ClCCCl,1
-hansen_17070-45-0,ClCCNCCCNc1c2cc(OC)ccc2nc2c1ccc(c2)Cl,1
-hansen_43218-55-9,CCN(CCn1nc2c3c1Sc1cc(Cl)ccc1-c3c(cc2)C)CC,1
-hansen_86640-16-6,COc1cc2c(cc1OC)nc1c(c2O)cccc1,1
-hansen_215226-71-4,O=C/C(=C(/C(=O)O)\Cl)/C,1
-hansen_103-76-4,OCCN1CCNCC1,0
-hansen_316-14-3,Cc1cc2ccccc2c2c1cc1ccccc1c2,1
-hansen_52748-34-2,O=CC1C=COC=C1,0
-hansen_758-17-8,CN(C=O)N,0
-hansen_619-80-7,NC(=O)c1ccc(cc1)[N+](=O)[O-],1
-hansen_107-92-6,CCCC(=O)O,0
-hansen_68-26-8,OC/C=C(\C=C/C=C(\C=C/C1=C(C)CCCC1(C)C)/C)/C,1
-hansen_2611-82-7,Oc1ccc2c(c1N=Nc1ccc(c3c1cccc3)S(=O)(=O)O)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,0
-hansen_61166-04-9,Nc1ccc2c(c1)c1ccccc1n2C,1
-hansen_123-77-3,NC(=O)N=NC(=O)N,1
-hansen_594-72-9,CC([N+](=O)[O-])(Cl)Cl,1
-hansen_1955-45-9,O=C1OCC1(C)C,1
-hansen_59-30-3,OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)NCc1cnc2c(n1)c(O)nc(n2)N,0
-hansen_97-02-9,[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])N,1
-hansen_112-57-2,NCCNCCNCCNCCN,1
-hansen_97284-34-9,Oc1ncc2c3c1ccc1c3c(cc2)ccc1,0
-hansen_4648-33-3,COc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],1
-hansen_131862-21-0,CN(CCNC(=O)c1cccn2c1nc(c2)c1ccccc1)C,1
-hansen_72273-04-2,ClCCN(c1ccc(cc1)OCC(=O)O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC(=O)N2)C)C)CCCl,1
-hansen_81-07-2,O=C1NS(=O)(=O)c2c1cccc2,0
-hansen_4426-50-0,C[C@H]1CCOS(=O)(=O)O1,1
-hansen_146795-38-2,Clc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],1
-hansen_NOCAS_M491,CCCC[C@H](COC(=O)CCCCC(=O)OC[C@@H](CCCC)CC)CC,0
-hansen_51576-10-4,CC(=O)OC12CCC3[C@@](C1)(CC2=C)CCC1[C@@]3(C)CCC[C@@]1(C)C(=O)O,0
-hansen_613-65-0,CN(c1ccc(cc1)N=Nc1ccc2c(c1)cccc2)C,1
-hansen_3031-73-0,COO,1
-hansen_NOCAS_M317,N[C@H](C(=O)O)CSCc1ccccc1,0
-hansen_9006-42-2,SC(=N/C=C/N=C(S)S)S,0
-hansen_88266-67-5,OC[C@@H]1O[C@@H](O[C@H]([C@@H](C(=O)N[C@H]([C@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCN(CCC(N(c2ccc(c(c2)OCc2ccccc2)OCc2ccccc2)C)N(c2ccc(c(c2)OCc2ccccc2)OCc2ccccc2)C)C)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O,1
-hansen_24325-70-0,Cc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],1
-hansen_59820-43-8,OCCN(c1ccc(cc1O)[N+](=O)[O-])CCO,1
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-hansen_52171-92-3,Cc1cc2c(C)cccc2c2c1c1ccccc1cc2,1
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-hansen_3070-86-8,CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)NC(=O)C,0
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-hansen_142628-08-8,NC(C(=O)O)CSC(C(Br)Cl)(F)F,1
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-hansen_NOCAS_M479,CCCC[C@H](COC(=O)c1ccccc1C(=O)O)CC,0
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-hansen_92887-88-2,N#CCCN(c1ccc(cc1)N=Nc1ccc2c(c1)scn2)C,1
-hansen_72-55-9,ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl,0
-hansen_55792-21-7,CCCCCCCOc1ccccc1NC(=O)OCCN1CCCCC1,0
-hansen_2923-68-4,OC(=O)C(C(C(C(C(C(C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F)(Cl)F)(F)F,0
-hansen_1229-55-6,COc1ccccc1N=Nc1c(O)ccc2c1cccc2,1
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-hansen_31272-21-6,Fc1ccccc1C(=O)c1c(C)nn(c1N)C,1
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-hansen_565-20-8,CC(=O)Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N,0
-hansen_60223-52-1,COc1ccc2c(c1)c1cc(OC)ccc1c1c2c2ccc(cc2c2c1ccc(c2)OC)OC,1
-hansen_554-00-7,Clc1ccc(c(c1)Cl)N,1
-hansen_557-61-9,CCCCCCCCCCCCCCCCCCCCCCCCCCCCO,0
-hansen_126-98-7,CC(=C)C#N,0
-hansen_74-89-5,CN,0
-hansen_343-94-2,NCCc1c[nH]c2c1cccc2,0
-hansen_1640-39-7,CC1=Nc2c(C1(C)C)cccc2,0
-hansen_64894-90-2,N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)NS(=O)(=O)C)cccc1,1
-hansen_821-06-7,BrC/C=C\CBr,1
-hansen_64188-66-5,CCCCN1C2C1c1ccccc1-c1c2cccc1,1
-hansen_700-86-7,Clc1ccc2c(c1)nsc2N,1
-hansen_113359-04-9,CO/N=C(/c1nsc(n1)N)\C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)C[n+]1ccn2c1cccn2,0
-hansen_NOCAS_M1,C[C@@H](ON=O)CC,1
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-hansen_50385-24-5,[O-][N+](=O)c1ccccc1/C=C/c1ccccn1,1
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-hansen_46817-91-8,CCOc1ccccc1OCC1CNCCO1,0
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-hansen_24684-41-1,Cc1cc2CCCc2c2c1c1ccccc1cc2,0
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-hansen_484-17-3,Oc1cc2ccccc2c2c1cccc2,1
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-hansen_111-20-6,OC(=O)CCCCCCCCC(=O)O,0
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-hansen_87480-50-0,OC1c2ccccc2-c2c(C1O)c(Br)c1c(c2)cccc1,0
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-hansen_6285-68-3,Cc1ccc2c(c1)nc([nH]2)N,1
-hansen_60719-84-8,Oc1ncc(cc1N)c1ccncc1,0
-hansen_309-00-2,ClC1=C(Cl)[C@@]2(C([C@@]1(Cl)[C@@H]1[C@H]2[C@H]2C[C@@H]1C=C2)(Cl)Cl)Cl,0
-hansen_17096-47-8,[O-][N+](=O)OCCN([N+](=O)[O-])C,1
-hansen_59230-81-8,BrCc1c2ccccc2c(c2c1c1ccccc1cc2)C,1
-hansen_22349-59-3,Cc1ccc(c2c1ccc1c2cccc1)C,1
-hansen_105467-77-4,C1CCc2c(C1)ccc1c2cc2c(n1)ccc1c2cccc1,1
-hansen_NOCAS_M540,CC(=O)[C@H](C(=O)Nc1ccccc1)N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=N[C@@H](C(=O)Nc1ccccc1)C(=O)C,0
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-hansen_10159-53-2,ClCCN(P(=O)(O)N)CCCl,1
-hansen_55610-00-9,O=C1Nc2c3c1cc1OCOc1c3c1c(c2)cccc1,1
-hansen_6237-24-7,CN(CCCNc1c2ccccc2nc2c1ccc(c2)[N+](=O)[O-])C,1
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-hansen_529-20-4,O=Cc1ccccc1C,0
-hansen_90-33-5,Oc1ccc2c(c1)oc(=O)cc2C,0
-hansen_67-71-0,CS(=O)(=O)C,0
-hansen_7090-25-7,O=NN(C(=O)Oc1cccc2c1cccc2)C,1
-hansen_51461-16-6,O=C1c2c(ccc(c2[N+](=O)[O-])C)C(=O)c2c1cccc2[N+](=O)[O-],1
-hansen_28657-80-9,CCn1nc(C(=O)O)c(=O)c2c1cc1OCOc1c2,1
-hansen_6219-89-2,Oc1ccc(cc1)c1ccc(cc1C)N,1
-hansen_134959-56-1,Clc1ccc(cc1)COC(=O)c1cccc2c1nccc2,0
-hansen_25148-26-9,ClCc1c2ccccc2c(c2c1cccc2)C,1
-hansen_27975-19-5,OC(=O)[C@]1(C)CCC[C@@]2(C1CC[C@]13C2CC[C@@](C3)(C(=O)C1)C)C,0
-hansen_5385-75-1,c1ccc2-c3c4c(-c2c1)c1ccccc1cc4c1c(c3)cccc1,1
-hansen_143922-98-9,CC(=O)Nc1cccc(c1C)N=[N+](c1cccc(c1C)NC(=O)C)[O-],0
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-hansen_619-15-8,[O-][N+](=O)c1ccc(c(c1)C)[N+](=O)[O-],1
-hansen_116-29-0,Clc1ccc(cc1)S(=O)(=O)c1cc(Cl)c(cc1Cl)Cl,0
-hansen_105837-00-1,[O-][N+](=O)c1ccc2c(c1)nc1c(n2)ccc(c1)[N+](=O)[O-],1
-hansen_506-77-4,ClC#N,0
-hansen_214-17-5,c1ccc2c(c1)cc1c(c2)c2ccc3c(c2cc1)cccc3,0
-hansen_70140-82-8,ClCSP(=S)(OCC(C)C)OCC(C)C,0
-hansen_96918-17-1,[O-][N+](=O)c1oc2c(c1)cc1c3c2ccc2c3c(cc1)ccc2,1
-hansen_680-31-9,CN(P(=O)(N(C)C)N(C)C)C,0
-hansen_88598-60-1,OC1C=Cc2c(C1O)c1ccc3c4c1c(c2)ccc4ccc3[N+](=O)[O-],1
-hansen_17573-21-6,Oc1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,1
-hansen_623-15-4,CC(=O)/C=C/c1ccco1,0
-hansen_2489-77-2,CNC(=S)N(C)C,0
-hansen_83621-06-1,Clc1ccc(cc1)OCCO/C(=C(\n1cncc1)/C)/c1ccc(cc1Cl)Cl,0
-hansen_160637-30-9,OC1C=Cc2c(C1O)ccc1c2nc2cc(C)ccc2c1C,1
-hansen_84-61-7,O=C(c1ccccc1C(=O)OC1CCCCC1)OC1CCCCC1,0
-hansen_82389-37-5,O=C(C1OC1c1ccccc1)c1ccc(cc1)c1ccccc1,0
-hansen_61166-05-0,[O-][N+](=O)c1ccc2c(c1)c1ccccc1n2C,1
-hansen_1818-71-9,OCC1OC(C(C1O)O)n1cnc2c1nc(O)nc2N,0
-hansen_612-60-2,Cc1ccc2c(c1)nccc2,1
-hansen_104-03-0,OC(=O)Cc1ccc(cc1)[N+](=O)[O-],1
-hansen_134523-00-5,OC(CC(CC(=O)O)O)CCn1c(C(C)C)c(c(c1c1ccc(cc1)F)c1ccccc1)C(=O)Nc1ccccc1,0
-hansen_135086-96-3,CC(=O)Nc1ccc(cc1)/C=N/n1nnc2-c(c1O)ncc2,1
-hansen_NOCAS_M113,O[C@@H](COc1ccc(cc1C(=O)C)NC(=O)N)CNC(C)(C)C,1
-hansen_111858-64-1,O=NN(C1OCC(C(C1O)O)O)c1ccc(cc1)C(=O)O,1
-hansen_56362-05-1,CCOP(=O)(Oc1cc(C)ccc1[N+](=O)[O-])NC(CC)C,0
-hansen_1199-18-4,NCCc1cc(O)c(cc1O)O,1
-hansen_122-59-8,OC(=O)COc1ccccc1,0
-hansen_591-87-7,CC(=O)OCC=C,1
-hansen_577-19-5,[O-][N+](=O)c1ccccc1Br,1
-hansen_2212-67-1,CCSC(=O)N1CCCCCC1,0
-hansen_21829-25-4,COC(=C1C(=NC(=C(C1c1ccccc1[N+](=O)[O-])C(=O)OC)C)C)O,0
-hansen_109875-45-8,OCC1OC(CC1O)n1cnc2c1nc(nc2N)c1ccc(cc1)[N+](=O)[O-],1
-hansen_874-86-2,ClCc1ccc(cc1)C#N,0
-hansen_140-08-9,ClCCOP(OCCCl)OCCCl,1
-hansen_90-94-8,CN(c1ccc(cc1)C(=O)c1ccc(cc1)N(C)C)C,1
-hansen_139953-76-7,Oc1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,1
-hansen_2118-39-0,Oc1c2cc(N)c(cc2cc(c1N=Nc1ccc(c2c1cc(cc2)S(=O)(=O)O)N=Nc1ccc(cc1)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,0
-hansen_301-12-2,CCS(=O)CCSP(=O)(OC)OC,1
-hansen_2540-82-1,COP(=S)(SCC(=O)N(C=O)C)OC,0
-hansen_520-36-5,Oc1ccc(cc1)c1cc(=O)c2c(o1)cc(cc2O)O,0
-hansen_1975-52-6,[O-][N+](=O)c1ccc(c(c1)C(=O)O)C,1
-hansen_109897-79-2,OC1C=Cc2c(C1O)cc1c(c2)cc(cc1)[N+](=O)[O-],1
-hansen_13306-69-9,COP(=S)(Oc1ccc(c(c1)C)N)OC,1
-hansen_25590-58-3,[O-][N+](=O)[CH-]C,0
-hansen_97461-39-7,O=C(OC(C)(C)C)/C=C/c1ccc(o1)[N+](=O)[O-],1
-hansen_123-11-5,COc1ccc(cc1)C=O,0
-hansen_313-80-4,c1cc2ccc3c4c2c(n1)ccc4ccc3,1
-hansen_961-11-5,Cl/C=C(/c1cc(Cl)c(cc1Cl)Cl)\OP(=O)(OC)OC,0
-hansen_612-58-8,Cc1cnc2c(c1)cccc2,1
-hansen_3544-23-8,COc1cc(N=Nc2ccccc2)ccc1N,1
-hansen_881-03-8,[O-][N+](=O)c1c(C)ccc2c1cccc2,1
-hansen_52-51-7,OCC([N+](=O)[O-])(CO)Br,0
-hansen_6281-23-8,OC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],1
-hansen_90-00-6,CCc1ccccc1O,0
-hansen_52559-52-1,OCC(=O)Nc1c(CC)cccc1CC,1
-hansen_90421-79-7,c1ccc2c(c1)c(OCC1CO1)ns2,1
-hansen_89213-87-6,CSCC[C@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CC(=O)O)CCCN=C(N)N)[C@H](CC)C)C)CCC(=O)N)CO)CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)CCCN=C(N)N)Cc1ccccc1)CO)CC(=O)N)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CO)N)CC(C)C)CCCN=C(N)N)CCCN=C(N)N)CO)CO,0
-hansen_503-30-0,C1CCO1,1
-hansen_50283-78-8,CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)COC(=O)c1ccco1)CC,1
-hansen_78-88-6,ClCC(=C)Cl,1
-hansen_87633-43-0,COCC1CN(C)C2C(=C1)c1cccc3c1c(C2)cn3C,1
-hansen_NOCAS_M358,CN(CC[C@@H](N(C)C)C)C,0
-hansen_53219-95-7,O=C(Nc1cc(Cl)cc(c1)Cl)CCC(=O)O,0
-hansen_6164-98-3,CN(/C=N/c1ccc(cc1C)Cl)C,0
-hansen_143922-95-6,O=Nc1cccc(c1C)[N+](=O)[O-],0
-hansen_6271-79-0,[O-][N+](=O)c1cc(ccc1N)c1ccc(c(c1)[N+](=O)[O-])N,1
-hansen_57576-44-0,COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)OC1CC(O)C(C(O1)C)OC1CCC(=O)C(O1)C)O)C(=O)c1c(C3=O)cccc1O,1
-hansen_1455-77-2,Nc1[nH]nc(n1)N,0
-hansen_581-29-3,Nc1ccc2c(c1)nc1c(c2)cccc1,1
-hansen_14698-29-4,CCn1cc(C(=O)O)c(=O)c2c1cc1OCOc1c2,1
-hansen_135086-90-7,Oc1n(/N=C/c2ccc(cc2)c2ccccc2)nnc2-c1nc1c2cccc1,0
-hansen_124-18-5,CCCCCCCCCC,0
-hansen_6237-22-5,CN(CCCNc1c2ccccc2nc2c1cc(cc2)[N+](=O)[O-])C,1
-hansen_NOCAS_M71,NCCC[C@H](Nc1cc(OC)cc2c1nccc2)C,1
-hansen_74550-97-3,O=C1CN(CCN2CC(=O)N(C(=O)C2)CN2CCOCC2)CC(=O)N1CN1CCOCC1,1
-hansen_87-84-3,BrC1C(Cl)C(Br)C(C(C1Br)Br)Br,0
-hansen_4067-16-7,NCCNCCNCCNCCNCCN,1
-hansen_502-44-3,O=C1CCCCCO1,0
-hansen_108-43-0,Oc1cccc(c1)Cl,0
-hansen_39834-38-3,Cc1c2C3OC3c3c(-c2c(c2c1cccc2)C)cccc3,1
-hansen_73077-95-9,O=Nc1cc2OCOc2cc1O,1
-hansen_103-85-5,NC(=S)Nc1ccccc1,0
-hansen_1477-55-0,NCc1cccc(c1)CN,0
-hansen_539-48-0,NCc1ccc(cc1)CN,0
-hansen_122-40-7,CCCCC/C(=C/c1ccccc1)/C=O,0
-hansen_80556-89-4,OCCN(CC(=O)O)N=O,1
-hansen_129286-37-9,Fc1cccc2c1ccc1-c3c4c(-c21)cccc4ccc3,1
-hansen_113-92-8,CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C,0
-hansen_65089-17-0,OCCNC(=O)CSc1nc(Cl)cc(n1)Nc1c(C)cccc1C,0
-hansen_1126-61-0,C=CCc1ccc(c(c1)O)O,1
-hansen_105-48-6,ClCC(=O)OC(C)C,0
-hansen_2818-69-1,Clc1ccc2c(c1)nc([nH]2)C,1
-hansen_108-95-2,Oc1ccccc1,0
-hansen_NOCAS_M489,CC[C@H]([N+](=O)[O-])[C@H](O)C,0
-hansen_3296-90-0,OCC(CBr)(CBr)CO,1
-hansen_6285-57-0,Nc1nc2c(s1)cc(cc2)[N+](=O)[O-],1
-hansen_19387-91-8,CCS(=O)(=O)CCn1c(C)ncc1[N+](=O)[O-],1
-hansen_58152-03-7,NCC(C(=O)NC1CC(N)C(C(C1OC1CCC(C(C1O)NC)(C)O)O)OC1CC(CN)C(C(C1O)O)O)O,0
-hansen_36712-34-2,[O-][N+](=O)c1cc(ccc1c1ccc(cc1)[N+](=O)[O-])[N+](=O)[O-],1
-hansen_5857-92-1,[O-][N+](=Nc1ccc(c(c1)N)C)c1ccc(c(c1)N)C,1
-hansen_874-89-5,OCc1ccc(cc1)C#N,0
-hansen_104-90-5,CCc1ccc(nc1)C,0
-hansen_60877-99-8,[O-][N+](=O)c1ccc(cc1)/C=N/c1snc2c1cccc2,1
-hansen_159092-70-3,[O-][N+](=O)c1cc2cc(ccc2c2c1cccc2)[N+](=O)[O-],1
-hansen_477-84-9,COc1c2C(=O)c3ccccc3C(=O)c2cc(c1C=O)O,0
-hansen_102-96-5,[O-][N+](=O)/C=C/c1ccccc1,1
-hansen_2244-16-8,CC(=C)[C@@H]1CC=C(C(=O)C1)C,0
-hansen_522-40-7,CC/C(=C(\c1ccc(cc1)OP(=O)(O)O)/CC)/c1ccc(cc1)OP(=O)(O)O,0
-hansen_568-75-2,OCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,1
-hansen_163275-57-8,Fc1cnc2c(c1)ccc1c2cccc1,0
-hansen_1874-12-0,[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OCC,1
-hansen_114480-41-0,CC(=O)Nc1nc2c(n1C)c(C)cc1c2cccn1,1
-hansen_96-23-1,ClCC(CCl)O,1
-hansen_100490-36-6,NC1CCN(C1)c1nc2n(cc(c(=O)c2cc1F)C(=O)O)c1ccc(cc1F)F,1
-hansen_5002-47-1,CCCCCCCCCC(=O)OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F,0
-hansen_141-75-3,CCCC(=O)Cl,1
-hansen_1456-55-9,COc1c2N(C)C3C(c2cc(c1OC)Cl)(O)C(C12N3C(=O)C(C)(SS1)N(C2=O)C)O,0
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-hansen_4074-88-8,C=CC(=O)OCCOCCOC(=O)C=C,0
-hansen_122-97-4,OCCCc1ccccc1,0
-hansen_70249-46-6,OCc1ccc2-c3c(-c4c2c1ccc4)cccc3,0
-hansen_610-88-8,CCC(C1NC(=O)C(=C1O)C(=O)C)C,0
-hansen_16757-80-5,Cc1cc2cccc3c2c2c1c1ccccc1cc2cc3,1
-hansen_759-94-4,CCCN(C(=O)SCC)CCC,0
-hansen_684-93-5,O=NN(C(=O)N)C,1
-hansen_NOCAS_M142,C=CC(=O)N(C[C@@H]1OC1)C[C@@H]1OC1,1
-hansen_NOCAS_M285,C[C@@H]1CNC[C@H](O1)C,1
-hansen_100-47-0,N#Cc1ccccc1,0
-hansen_106636-50-4,Cc1ccc(cc1)c1nc2n(c1[N+](=O)[O-])CCS2,1
-hansen_159092-78-1,[O-][N+](=O)c1ccc2c(c1)c1cccc(c1cc2[N+](=O)[O-])[N+](=O)[O-],1
-hansen_123-30-8,Nc1ccc(cc1)O,0
-hansen_104-83-6,ClCc1ccc(cc1)Cl,0
-hansen_79455-30-4,CC(NC(=O)c1cccnc1)CNC(=O)c1cccnc1,0
-hansen_1070-11-7,CC[C@@H](NCCN[C@@H](CO)CC)CO,0
-hansen_7467-29-0,Nc1cc(N)c(cc1N=Nc1ccccc1C)C,1
-hansen_122-19-0,CCCCCCCCCCCCCCCCCC[N+](Cc1ccccc1)(C)C,0
-hansen_36508-80-2,[O-][n+]1cccc(c1)C1CCC(=O)N1C,0
-hansen_2997-92-4,NC(=N)C(N=NC(C(=N)N)(C)C)(C)C,1
-hansen_155164-66-2,Clc1cnn(c(=O)c1Cl)C(=O)c1ccccc1,0
-hansen_2608-48-2,O=C/C=C/C=C/c1ccc(cc1)[N+](=O)[O-],1
-hansen_880-93-3,[O-][N+](=O)c1ccc(c2c1cccc2)C,1
-hansen_93-15-2,C=CCc1ccc(c(c1)OC)OC,0
-hansen_23045-35-4,[O-][N+](=O)c1ccc2c(c1)c(N)c1c(n2)cccc1,1
-hansen_86-73-7,c1ccc2-c3c(Cc2c1)cccc3,0
-hansen_151455-09-3,COc1cc(OC)c2c(c1)c1c3OCOc3cc(c1c(c2)[N+](=O)[O-])C(=O)O,0
-hansen_2782-57-2,Oc1nc(Cl)nc(n1)Cl,0
-hansen_22338-69-8,C=C1C2CCC3C(C1O)(C2)CCC1C3(C)CCCC1(C)C(=O)O,0
-hansen_28564-83-2,OC1COC(=C(C1=O)O)C,1
-hansen_95-78-3,Cc1ccc(c(c1)N)C,1
-hansen_13558-31-1,Nc1ccc2c(c1)[o+]c1c(c2c2ccccc2C(=O)O)ccc(c1)N,0
-hansen_38914-96-4,ClCCNCCCNc1c2ccccc2nc2c1cccc2,1
-hansen_155164-57-1,Clc1cnn(c(=O)c1Cl)S(=O)(=O)c1ccccc1,0
-hansen_74407-28-6,CSCC(C(=O)O)NC(=O)C(SC)(C)C,0
-hansen_68688-87-9,O[C@H]1[C@H](O)C=Cc2c1ccc1c2cc2c3c1CCc3c(cc2)C,1
-hansen_77121-90-5,COC1C(N)CC(OC1C)OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)CO,1
-hansen_33069-62-4,CC(=O)O[C@@H]1C(=O)[C@]2(C)[C@@H](O)C[C@@H]3[C@]([C@H]2[C@@H]([C@@]2(C(C1=C(C)[C@@H](OC(=O)[C@@H]([C@H](c1ccccc1)NC(=O)c1ccccc1)O)C2)(C)C)O)OC(=O)c1ccccc1)(CO3)OC(=O)C,0
-hansen_35212-22-7,CC(Oc1ccc2c(c1)occ(c2=O)c1ccccc1)C,0
-hansen_16156-54-0,CCC(OS(=O)(=O)C)C,1
-hansen_594-42-3,ClSC(Cl)(Cl)Cl,1
-hansen_581-47-5,n1ccc(cc1)c1ccccn1,1
-hansen_94-36-0,O=C(c1ccccc1)OOC(=O)c1ccccc1,0
-hansen_99-61-6,O=Cc1cccc(c1)[N+](=O)[O-],1
-hansen_98-51-1,Cc1ccc(cc1)C(C)(C)C,0
-hansen_NOCAS_M237,O=C(Nc1n(C)nc(c1C(=O)c1ccccc1F)C)CNCCCN1CCCC[C@H]1C,1
-hansen_64-86-8,COc1c(OC)cc2c(-c3ccc(c(=O)cc3[C@@H](CC2)NC(=O)C)OC)c1OC,0
-hansen_70403-81-5,COc1ccc2-c3c(OC)c(OC)cc4c3c(C(=O)c2c1)ncc4,1
-hansen_52517-34-7,BrCC1CN(C)C2C(C1)c1cccc3c1c(C2)c[nH]3,1
-hansen_81316-80-5,[O-][N+](=O)c1ccc2-c3c(-c4c2c1ccc4)cc1c(c3)cccc1,1
-hansen_145531-24-4,N#N=Nc1ccc2c(c1)c(Nc1ccc(cc1OC)NS(=O)(=O)C)c1c(n2)cccc1,1
-hansen_NOCAS_M273,C[C@H](c1cc2ccc3c4c2c(c1)ccc4ccc3)O,1
-hansen_839-90-7,OCCn1c(=O)n(CCO)c(=O)n(c1=O)CCO,0
-hansen_78-95-5,CC(=O)CCl,0
-hansen_101-20-2,O=C(Nc1ccc(c(c1)Cl)Cl)Nc1ccc(cc1)Cl,0
-hansen_99-08-1,Cc1cccc(c1)[N+](=O)[O-],0
-hansen_50-48-6,CN(CCC=C1c2ccccc2CCc2c1cccc2)C,0
-hansen_105836-99-5,[O-][N+](=O)c1ccc2c(c1)nc1c(n2)c(ccc1)[N+](=O)[O-],1
-hansen_199536-62-4,BrCC1=C(Br)C(=O)OC1,1
-hansen_98046-73-2,ONc1cnc2c(c1)nc1n2cccc1,1
-hansen_38514-71-5,Nc1scc(n1)c1ccc(o1)[N+](=O)[O-],1
-hansen_16529-56-9,CC(C#N)C=C,0
-hansen_72-48-0,O=C1c2ccccc2C(=O)c2c1ccc(c2O)O,1
-hansen_111574-85-7,O=C(N[C@H](C(=O)NCC(=O)O)CSC(=C(Cl)Cl)Cl)CC[C@@H](C(=O)O)N,1
-hansen_17423-48-2,Nc1cccc2c1c1ccccc1cc2,0
-hansen_523-44-4,Oc1ccc(c2c1cccc2)N=Nc1ccc(cc1)S(=O)(=O)O,0
-hansen_303-34-4,CO[C@H]([C@@](C(O)(C)C)(C(=O)OCC1=CCN2[C@H]1[C@H](CC2)OC(=O)/C(=C\C)/C)O)C,1
-hansen_92072-09-8,[O-][N+](=O)c1ccc2c3c1cccc3c1c3c2cccc3ccc1[N+](=O)[O-],1
-hansen_118174-26-8,O=C(OC(C)(C)C)N/N=C/C1=CN(O)c2c(N1O)cccc2,1
-hansen_119-47-1,Cc1cc(Cc2cc(C)cc(c2O)C(C)(C)C)c(c(c1)C(C)(C)C)O,0
-hansen_95933-72-5,O/N=C(/c1ccc(c(c1)O)O)\N,1
-hansen_81-77-6,O=C1c2ccccc2C(=O)c2c1ccc1c2nc2c(n1)c1c(cc2)c(O)c2c(c1O)cccc2,0
-hansen_6375-16-2,CC(=O)Nc1ccc(c(c1)N)C,1
-hansen_130536-46-8,c1cnc2c(c1)CCC1C2O1,0
-hansen_70140-81-7,CCOP(=S)(OCC(C)C)SCCl,0
-hansen_1071-83-6,OC(=O)CNCP(=O)(O)O,0
-hansen_1126-76-7,C(C1OC1)Cc1ccccc1,1
-hansen_99-94-5,OC(=O)c1ccc(cc1)C,0
-hansen_50935-04-1,NC1CC(OC(C1O)C)OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(O)ccc2)C(=O)C,1
-hansen_108963-23-1,ClCCC(CBr)Br,0
-hansen_64432-06-0,OCC1OC(OC23CCC4C(C2)(CC3=C)CCC2C4(C)CCCC2(C)C(=O)OC2OC(CO)C(C(C2O)O)O)C(C(C1O)O)OC1OC(C)C(C(C1O)O)O,0
-hansen_68162-38-9,COC(=O)/C(=C/c1ccc(o1)Br)/[N+](=O)[O-],0
-hansen_3420-97-1,CCOc1ccc(cc1)N=O,1
-hansen_128879-32-3,O/N=C/C1N(CCN(C)C)C=CN1C,0
-hansen_NOCAS_M300,ClC[C@@H](CBr)Cl,1
-hansen_585-71-7,CC(c1ccccc1)Br,0
-hansen_89-98-5,O=Cc1ccccc1Cl,0
-hansen_55090-44-3,CCCCCCCCCCCCN(N=O)C,1
-hansen_18434-08-7,CCCCCCC(COc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)OCC(CCCCCC)CCCC)CCCC,0
-hansen_119-32-4,Nc1ccc(c(c1)[N+](=O)[O-])C,1
-hansen_NOCAS_M268,ClC[C@H]1CO1,1
-hansen_1326-03-0,CCN(c1ccc2c(c1)oc1-c(c2c2ccccc2C(=O)O)ccc(=[N+](CC)CC)c1)CC,0
-hansen_150366-18-0,COCC1OC(=O)N(C1)c1ccc2c(c1)sc(n2)C(CCC#N)O,0
-hansen_80-63-7,COC(=O)C(=C)Cl,1
-hansen_24954-53-8,CNC(=O)ON(C(=O)NC)C(=O)NC,0
-hansen_133740-20-2,COc1c2cc(OC)cc(c2c(c2c1cc(C)oc2=O)O)O,1
-hansen_2564-83-2,ON1C(C)(C)CCCC1(C)C,0
-hansen_119143-42-9,c1cnc2c(c1)c1CCC3C(c1cc2)O3,0
-hansen_789-47-9,Nc1ccc2c(c1)ccc1c2ccc2c1cccc2,1
-hansen_111-76-2,CCCCOCCO,0
-hansen_103124-59-0,CCOC(=O)C(=NNc1ccc(cc1OC)c1ccc(c(c1)OC)NN=C(C(=O)OCC)C(=O)OCC)C(=O)OCC,0
-hansen_1248-18-6,Oc1ccc2c(c1N=Nc1ccc3c(c1S(=O)(=O)O)cccc3)cccc2,0
-hansen_86-59-9,OC(=O)c1cccc2c1nccc2,0
-hansen_83-95-4,COc1ccc2c(c1OC)nc1c(c2OC)CCO1,1
-hansen_303-45-7,O=Cc1c(O)c(O)c(c2c1c(O)c(c(c2)C)c1c(C)cc2c(c1O)c(C=O)c(c(c2C(C)C)O)O)C(C)C,0
-hansen_41934-47-8,CCN(c1ccc2c(c1)oc(=O)cc2C(F)(F)F)CC,0
-hansen_192705-53-6,CC(=O)Nc1ccc2-c3c(-c4c2c1ccc4)cc(cc3)O,1
-hansen_106636-49-1,Clc1ccc(cc1)c1nc2n(c1[N+](=O)[O-])CCS2,1
-hansen_34801-16-6,Nc1scc(n1)c1ccc(s1)[N+](=O)[O-],1
-hansen_66-97-7,O=c1ccc2c(o1)cc1c(c2)cco1,0
-hansen_122587-22-8,COC(=O)c1oc(c(c1Cl)Cl)[N+](=O)[O-],1
-hansen_14064-55-2,Clc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],1
-hansen_NOCAS_M110,COC(=O)[C@@]12O[C@@]2(C)[C@@](OC1=O)(C)O,1
-hansen_924-16-3,CCCCN(N=O)CCCC,1
-hansen_74494-65-8,COc1cc(O)c2c(c1OC)oc1c(c2=O)c(OC)cc2c1C1CCOC1O2,0
-hansen_9005-65-6,COCCOC1(COCCOC(=O)CCCCCCC/C=C/CCCCCCCC)OCC(C1OCCOC)OCCOC,0
-hansen_101-61-1,CN(c1ccc(cc1)Cc1ccc(cc1)N(C)C)C,1
-hansen_584-48-5,[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])Br,1
-hansen_32861-85-1,COc1cc(Oc2ccc(cc2Cl)Cl)cc(c1)[N+](=O)[O-],0
-hansen_2185-92-4,Nc1ccccc1c1ccccc1,1
-hansen_622-96-8,CCc1ccc(cc1)C,0
-hansen_188970-83-4,Oc1cccc2c1c(cc1c2c2c([nH]1)ccc1c2cccc1)[N+](=O)[O-],1
-hansen_163275-61-4,Fc1ccc2c(c1)c1ncccc1cc2,1
-hansen_145627-68-5,OC1C=Cc2c(C1O)ccc1c2ccc2c1CCC2,1
-hansen_106323-85-7,[O-][N+](=O)c1cc(ccc1c1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],1
-hansen_NOCAS_M64,C#CCc1ccc(o1)COC(=O)[C@H]1[C@@H](C1(C)C)C=C(C)C,1
-hansen_133762-81-9,N#N=NCC(Cn1cnc2c1nc(N)nc2Cl)O,1
-hansen_86-95-3,Oc1cc(O)c2c(n1)cccc2,1
-hansen_102-07-8,O=C(Nc1ccccc1)Nc1ccccc1,0
-hansen_39860-12-3,Cc1ccc2c(c1)nc(n2C)N,1
-hansen_121-39-1,CCOC(=O)[C@@H]1O[C@H]1c1ccccc1,0
-hansen_79-08-3,OC(=O)CBr,1
-hansen_158729-29-4,Clc1cc(cc(c1)Cl)NS(=O)(=O)c1cccc2c1nccc2,0
-hansen_109-78-4,OCCC#N,0
-hansen_159092-67-8,[O-][N+](=O)c1ccc2c(c1)c1cccc(c1cc2)[N+](=O)[O-],1
-hansen_79-44-7,CN(C(=O)Cl)C,1
-hansen_166546-19-6,ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)c1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CCCl,0
-hansen_52-86-8,Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl,0
-hansen_70458-92-3,CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C)c(c2)F,1
-hansen_18636-89-0,[O-][n+]1ncc2c(c1)cccc2,0
-hansen_77-65-6,CCC(C(=O)NC(=O)N)(CC)Br,0
-hansen_69658-14-6,CCOC(=O)CSc1ccc2-c3ccccc3C(=O)c3c2c1ccc3,1
-hansen_NOCAS_M33,CC(=O)Nc1ccc(cc1)[C@H]1O[C@H]1C(=O)c1ccccc1,1
-hansen_61734-88-1,OCCCN(N=O)CC,1
-hansen_133762-86-4,Nc1ccn(c(=O)n1)CC(CN=N#N)O,1
-hansen_25013-15-4,C=Cc1ccc(cc1)C,0
-hansen_108893-54-5,O=CC1=C2CC(CC2C(C2(C1(C=O)C2)C)OC(=O)C)(C)C,0
-hansen_3989-90-0,[O-][N+](=O)c1ccc2c(c1)ccc1c2ccc2c1cccc2,1
-hansen_7704-40-7,Nc1ccc2c(c1)nc1c(n2)ccc(c1)N,1
-hansen_NOCAS_M79,Cc1ccc2-c3c([C@H](c2c1)C)cccc3,1
-hansen_26946-33-8,Nc1ccc(c(c1)[N+](=O)[O-])Cc1ccc(cc1[N+](=O)[O-])N,1
-hansen_53-86-1,COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C,0
-hansen_69533-68-2,[O-][N+](=O)c1ccc2-c3ccc(cc3CCc2c1)[N+](=O)[O-],1
-hansen_150446-04-1,[O-][N+](=O)c1ccc2c(c1)c(Cn1cncc1)c(n2Cc1ccccc1)C,1
-hansen_146795-45-1,O=C(c1csc(c1)[N+](=O)[O-])Nc1cccc(c1)[N+](=O)[O-],1
-hansen_627-18-9,OCCCBr,1
-hansen_2210-28-8,CCCOC(=O)C(=C)C,0
-hansen_105467-67-2,Oc1cccc2c1ccc1c2cc2c(n1)ccc1c2cccc1,0
-hansen_NOCAS_M390,CCCC[C@H](COP(OC[C@@H](CCCC)CC)OC[C@@H](CCCC)CC)CC,0
-hansen_117929-12-1,[O-][N+](=O)c1cc2CCc3c4c2c(c1)ccc4cc(c3)[N+](=O)[O-],1
-hansen_80-46-6,CCC(c1ccc(cc1)O)(C)C,0
-hansen_127-18-4,ClC(=C(Cl)Cl)Cl,0
-hansen_114717-14-5,OC(=O)C(Cn1cncc1)N,1
-hansen_28108-99-8,CC(c1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1)C,0
-hansen_37574-47-3,c1ccc2c(c1)c1ccc3c4c1c(c2)C1OC1c4ccc3,1
-hansen_779-02-2,Cc1c2ccccc2cc2c1cccc2,1
-hansen_109-43-3,CCCCOC(=O)CCCCCCCCC(=O)OCCCC,0
-hansen_50648-96-9,O=C(NC(C(=O)O)C)COc1ccc(cc1Cl)Cl,0
-hansen_35281-34-6,C1Cc2ccc3c4c2c(C1)cc1c4c2c(c3)CCCc2cc1,1
-hansen_27113-22-0,CCCCCCCC(=O)CCc1ccc(c(c1)OC)O,0
-hansen_3311-98-6,[O-][N+](=O)c1cnc(s1)NC(=O)NCCCl,1
-hansen_84-64-0,CCCCOC(=O)c1ccccc1C(=O)OC1CCCCC1,0
-hansen_114460-41-2,CCc1[nH]c2c(n1)c1c(cc2)ccc2c1cc(O)cc2,1
-hansen_88-95-9,ClC(=O)c1ccccc1C(=O)Cl,1
-hansen_19655-56-2,CCc1cccc2c1nccc2,1
-hansen_330-54-1,O=C(N(C)C)Nc1ccc(c(c1)Cl)Cl,1
-hansen_95-74-9,Nc1ccc(c(c1)Cl)C,1
-hansen_602-87-9,[O-][N+](=O)c1ccc2c3c1cccc3CC2,1
-hansen_952-23-8,Nc1ccc2c(c1)nc1c(c2)ccc(c1)N,1
-hansen_24143-08-6,CC(=O)NC1=NC(=NOC1)c1ccc(o1)[N+](=O)[O-],1
-hansen_2255-50-7,COc1c2cccc(c2nc2c1cco2)O,1
-hansen_75453-80-4,OC1C=CC=CC1O,1
-hansen_599-64-4,Oc1ccc(cc1)C(c1ccccc1)(C)C,0
-hansen_138835-36-6,[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(n1)cccc2,1
-hansen_130-26-7,Ic1cc(Cl)c2c(c1O)nccc2,0
-hansen_1513-65-1,Fc1cccc(n1)F,0
-hansen_149022-16-2,Oc1ccc2c(c1)[nH]c1c2ccnc1C,1
-hansen_59-50-7,Oc1ccc(c(c1)C)Cl,0
-hansen_61734-90-5,CCCCN(CC(=O)CC)N=O,1
-hansen_92-88-6,Oc1ccc(cc1)c1ccc(cc1)O,0
-hansen_7144-65-2,c1ccc(cc1)c1ccccc1OCC1CO1,1
-hansen_24280-93-1,COc1c(C/C=C(/CCC(=O)O)\C)c(O)c2c(c1C)COC2=O,1
-hansen_873-75-6,OCc1ccc(cc1)Br,0
-hansen_54292-59-0,OCCN(c1ccc(cc1)N=Nc1cccnc1)CCO,0
-hansen_129541-01-1,ClCCSCC(C(=O)NCC(=O)OC)NC(=O)CCC(C(=O)O)N,1
-hansen_86-40-8,Nc1ccc2c(c1)[n+](C)c1c(c2)ccc(c1)N,1
-hansen_98033-24-0,Oc1ccc2c(c1)c1c(cc2)ccc2c1oc(n2)C,1
-hansen_72848-48-7,[O-][N+](=O)c1ccc2c(c1)nc1c(n2)cc(cc1)[N+](=O)[O-],1
-hansen_83504-80-7,O=Nc1ccc(cc1)Sc1ccccc1,1
-hansen_92-24-0,c1ccc2c(c1)cc1c(c2)cc2c(c1)cccc2,1
-hansen_115-77-5,OCC(CO)(CO)CO,0
-hansen_63166-73-4,CC(=O)OC1C(OC2OC(C)C(C(C2O)OC(=O)C)O)C(OC(=O)C2CCC3C(C2)OC2(C43CO4)OCC(C(C2)OC(=O)/C=C/c2ccccc2)C)OC(C1O)C,0
-hansen_108-11-2,CC(CC(O)C)C,0
-hansen_126420-95-9,Cc1cc(C)c(c(c1)C)CN1C2C1c1ccccc1-c1c2cccc1,1
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-hansen_NOCAS_M451,COC(=C1C(=NC(=C([C@@H]1c1ccccc1[N+](=O)[O-])C(=O)OCC(=O)C)C)C)O,0
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-hansen_93957-55-2,OC(=O)C[C@@H](C[C@H](/C=C/c1c(c2ccc(cc2)F)c2c(n1C(C)C)cccc2)O)O,0
-hansen_53340-16-2,CC[N+](=c1ccc2-c(c1)oc1c(n2)c2ccccc2c(c1)N)CC,1
-hansen_2243-61-0,Nc1ccc(c2c1cccc2)N,1
-hansen_20589-85-9,Cl/C=C(/C(Cl)Cl)\Cl,1
-hansen_637-07-0,CCOC(=O)C(Oc1ccc(cc1)Cl)(C)C,0
-hansen_54749-90-5,ClCCN(C(=O)NC(C(C(C(CO)O)O)O)C=O)N=O,1
-hansen_20324-66-7,Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1O)O,1
-hansen_108-46-3,Oc1cccc(c1)O,0
-hansen_17526-24-8,CC(=O)OCc1c2ccccc2cc2c1ccc1c2cccc1,1
-hansen_54827-17-7,Cc1cc(cc(c1N)C)c1cc(C)c(c(c1)C)N,0
-hansen_85-33-6,O=Cc1ccc2-c1cc(ccc2C)C(=C)C,1
-hansen_144425-09-2,COc1ccc2c(c1)c1oc(=O)ccc1c(c2)[N+](=O)[O-],1
-hansen_109237-00-5,OC1C=C2CC=C3C(C2(CC1O)C)CC(C1(C3CC=C1C(=O)C)C)O,0
-hansen_50-30-6,OC(=O)c1c(Cl)cccc1Cl,0
-hansen_118995-84-9,O=C(NC(C(=O)NCC(=O)O)CSC(=O)NC(C)(C)C)CCC(C(=O)O)N,0
-hansen_556-08-1,CC(=O)Nc1ccc(cc1)C(=O)O,0
-hansen_78-11-5,[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-],0
-hansen_699-18-3,[O-][N+](=O)/C=C/c1ccco1,0
-hansen_2880-58-2,COC1=CC(=O)C=CC1=O,0
-hansen_115459-65-9,O=C(c1ccc(cc1)[N+](=O)[O-])OC[C@@H]1OC1,1
-hansen_55936-77-1,CN(c1ccc(cc1)N=Nc1ccccc1)OC(=O)C,1
-hansen_17627-75-7,C/C=C/c1ccc(cc1OC)OC,0
-hansen_199536-65-7,BrCC1=C(Cl)C(=O)OC1,1
-hansen_116530-07-5,[O-][N+](=O)c1ccc2c(c1)c(C)ccc2,1
-hansen_NOCAS_M172,ClCCN([P@]1(=O)OCC[C@H](N1)O)CCCl,1
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-hansen_69839-83-4,ONC(=O)c1ccc(c(c1)O)O,1
-hansen_5845-67-0,CC(CC1NC(=O)CNC1=O)C,0
-hansen_103-30-0,c1ccc(cc1)/C=C/c1ccccc1,0
-hansen_51857-25-1,[O-][N+](=Nc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,1
-hansen_136112-70-4,Nc1nc(nc2c1ncn2c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],1
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-hansen_57018-52-7,C[C@H](COC(C)(C)C)O,1
-hansen_50-76-0,O=C1N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N(C)CC(=O)N([C@H](C(=O)O[C@H]([C@@H]1NC(=O)c1c2-c(oc3c(n2)c(ccc3C)C(=O)N[C@H]2[C@@H](C)OC(=O)[C@@H](C(C)C)N(C)C(=O)CN(C(=O)[C@H]3N(C(=O)[C@@H](NC2=O)C(C)C)CCC3)C)c(c(=O)c1N)C)C)C(C)C)C,0
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-hansen_80-09-1,Oc1ccc(cc1)S(=O)(=O)c1ccc(cc1)O,0
-hansen_3237-50-1,O=C1NC(=O)NC(=O)C1(O)O,0
-hansen_53716-49-7,OC(=O)C(c1ccc2c(c1)[nH]c1c2cc(cc1)Cl)C,0
-hansen_NOCAS_M557,CC[C@H]([N+](=O)[O-])CO,0
-hansen_116505-53-4,ClCCNc1ccc(cc1)CCCC(=O)O,1
-hansen_106-43-4,Cc1ccc(cc1)Cl,0
-hansen_15826-37-6,OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O,0
-hansen_191861-19-5,Fc1cc2cccnc2c2c1cccn2,1
-hansen_235760-37-9,Cc1cc(C)c2c(c1N)nsn2,1
-hansen_105361-85-1,ONc1cccc(c1)c1ccccc1,0
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-hansen_15307-79-6,OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl,0
-hansen_133-32-4,OC(=O)CCCc1c[nH]c2c1cccc2,0
-hansen_106589-49-5,C1C=Cc2c(C1)ccc1c2cc2c(n1)ccc1c2cccc1,1
-hansen_91254-93-2,Oc1cc2c3c4c1cccc4ccc3ccc2[N+](=O)[O-],1
-hansen_88-06-2,Clc1cc(Cl)c(c(c1)Cl)O,0
-hansen_534-22-5,Cc1ccco1,0
-hansen_124-02-7,C=CCNCC=C,0
-hansen_534-52-1,[O-][N+](=O)c1cc(C)c(c(c1)[N+](=O)[O-])O,0
-hansen_10396-68-6,OC1COC(C(C1O)O)Nc1ccc(cc1)C(=O)O,0
-hansen_129833-03-0,O=C1C=Cc2c(C31OC3(C)C(=O)C)cccc2,0
-hansen_16354-52-2,CCc1c2ccc3c(c2c(c2c1cccc2)CC)cccc3,0
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-hansen_262-20-4,c1ccc2c(c1)Sc1c(O2)cccc1,0
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-hansen_573-58-0,Nc1c(N=Nc2ccc(cc2)c2ccc(cc2)N=Nc2cc(c3c(c2N)cccc3)S(=O)(=O)O)cc(c2c1cccc2)S(=O)(=O)O,1
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-hansen_100-19-6,CC(=O)c1ccc(cc1)[N+](=O)[O-],1
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-hansen_620-89-3,Cc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],1
-hansen_NOCAS_M555,CC(OC(=O)C[C@](C(=O)O)(CC(=O)O)O)C,0
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-hansen_15104-03-7,CC1CCN(CC1)N=O,1
-hansen_18715-54-3,C[Si](c1ccc(cc1)[Si](CCCOCC1OC1)(C)C)(CCCOCC1OC1)C,1
-hansen_NOCAS_M205,CC(OC[C@@H]1OC1)(C)C,1
-hansen_89-75-8,Clc1ccc(c(c1)Cl)C(=O)Cl,1
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-hansen_689-98-5,NCCCl,1
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-hansen_26227-73-6,CCCCc1ccc(cc1)/N=C\c1ccc(cc1)OC,1
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-hansen_19213-09-3,CC(CC(=O)Nc1ccc(cc1)O)O,0
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-hansen_765-87-7,O=C1CCCCC1=O,1
-hansen_6728-26-3,CCC/C=C/C=O,1
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-hansen_107-02-8,C=CC=O,1
-hansen_146795-43-9,O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1Br,1
-hansen_137-66-6,CCCCCCCCCCCCCCCC(=O)OCC(C1OC(=C(C1=O)O)O)O,0
-hansen_107793-72-6,OCCNC(=O)c1c(I)c(C(=O)NCC(CO)O)c(c(c1I)N(C(=O)C)CC(CO)O)I,0
-hansen_68641-49-6,O=C1OCCN1P(=O)(N1CCOC1=O)Cl,1
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-hansen_71721-78-3,Clc1cc2Oc3cc(ccc3Oc2cc1Cl)[N+](=O)[O-],1
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-hansen_NOCAS_M542,CCCC[C@H](COP(=O)(Oc1ccccc1)Oc1ccccc1)CC,0
-hansen_1148-79-4,c1ccc(nc1)c1cccc(n1)c1ccccn1,1
-hansen_93535-04-7,Nc1ccc(cc1)/C=C/c1cccc(c1)Cl,1
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-hansen_107-13-1,C=CC#N,1
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-hansen_3414-62-8,OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NO,1
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-hansen_104-28-9,CCOCCOC(=O)/C=C\c1ccc(cc1)OC,0
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-hansen_73-22-3,OC(=O)[C@@H](Cc1c[nH]c2c1cccc2)N,0
-hansen_6367-36-8,O=C(OC(C)(C)C)CN=N#N,1
-hansen_3442-62-4,[O-][N+](=O)c1ccc2c(c1)nc1c(n2)cccc1,1
-hansen_3694-52-8,[O-][N+](=O)c1cccc(c1N)N,1
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-hansen_6756-41-8,Cc1ccc(cc1)N=Nc1c(O)ccc2c1cccc2,0
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-hansen_551-06-4,S=C=Nc1cccc2c1cccc2,1
-hansen_109032-48-6,CNC(=O)Oc1cc2ccccc2c2c1cccc2,1
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-hansen_155164-62-8,Clc1ccc(c(c1)Cl)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,0
-hansen_6673-35-4,OC(COc1ccc(cc1)NC(=O)C)CNC(C)C,0
-hansen_1985-51-9,O=C(C(=C)C)OCC(COC(=O)C(=C)C)(C)C,0
-hansen_125761-28-6,OCC1OC(OC23C=C(C)C4(C(C3C(=O)C(C2)(C)C)(C)O)CC4)C(C(C1OC(=O)/C=C/c1ccc(cc1)O)O)OC(=O)C,1
-hansen_90-65-3,CO/C(=C\C(=O)O)/C(=O)C(=C)C,1
-hansen_110336-19-1,O=C1CCc2c1c1c(cc2)ccc2c1cccc2,0
-hansen_142-96-1,CCCCOCCCC,0
-hansen_63885-23-4,CCNC(=N)N([N+](=O)[O-])N=O,1
-hansen_161697-02-5,CNc1ccc2c(c1C)nc(cn2)c1ccccc1,1
-hansen_78-51-3,CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC,0
-hansen_58-08-2,Cn1cnc2c1c(=O)n(C)c(=O)n2C,0
-hansen_3175-89-1,CN1CCc2c3C1C(O)c1ccccc1-c3c1c(c2)OCO1,1
-hansen_115-11-7,CC(=C)C,0
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-hansen_104-88-1,O=Cc1ccc(cc1)Cl,0
-hansen_35300-54-0,CCCC(=O)OCc1ccc(cc1)[N+](=O)[O-],1
-hansen_142713-66-4,O=C(C(Br)C)NC(C)(C)C,0
-hansen_80-78-4,OC1CCC2(C(=CCC3C2CCC2(C3CC3C2C(C)C2N3CC(CC2)C)C)C1)C,0
-hansen_188970-84-5,Oc1cccc2c1ccc1c2c2c([nH]1)cc(c1c2cccc1)[N+](=O)[O-],1
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-hansen_138154-39-9,CCN(CCNc1ccc2c3c1c(=O)c1cc(O)ccc1n3cn2)CC,1
-hansen_17928-28-8,C[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C,0
-hansen_56548-64-2,CCN(c1cc(NC(=O)C)c(cc1OC)N=Nc1c(Br)cc(cc1[N+](=O)[O-])[N+](=O)[O-])CC,1
-hansen_2270-40-8,CC(=O)OCC12CCC(=CC1OC1C3(C2(C)C(OC(=O)C)C1O)CO3)C,0
-hansen_33237-74-0,CCN(CCCN(C1Cc2c(C1)cccc2)c1ccccc1)CC,0
-hansen_56-72-4,CCOP(=S)(Oc1ccc2c(c1)oc(=O)c(c2C)Cl)OCC,0
-hansen_95-94-3,Clc1cc(Cl)c(cc1Cl)Cl,0
-hansen_4539-51-9,Nc1ccc2c(c1)[nH]c1c2cccc1,1
-hansen_7177-48-2,N[C@@H](c1ccccc1)C(=O)N[C@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C,0
-hansen_141511-31-1,[O-][N+](=O)c1ccc2c(c1)ccc1c2cc2ccc3c(c2c1)cccc3,1
-hansen_7437-61-8,CC(=C)C1CO1,0
-hansen_74011-58-8,CCn1cc(C(=O)O)c(=O)c2c1nc(N1CCNCC1)c(c2)F,1
-hansen_479-79-8,O=C1c2ccccc2-c2c1c1ccccc1cc2,0
-hansen_470-82-6,C[C@]12CC[C@H](CC1)C(O2)(C)C,0
-hansen_97-77-8,CCN(C(=S)SSC(=S)N(CC)CC)CC,0
-hansen_1622-62-4,CN1C(=O)CN=C(c2c1ccc(c2)[N+](=O)[O-])c1ccccc1F,1
-hansen_162050-09-1,BrCC(=O)c1oc(c(c1Cl)Cl)[N+](=O)[O-],1
-hansen_641-38-3,Oc1cc(C)c2c(c1)oc(=O)c1c2cc(O)cc1O,0
-hansen_938-55-6,CN(c1[nH]cnc2-c1ncn2)C,1
-hansen_422-56-0,ClC(C(C(F)(F)F)(F)F)Cl,0
-hansen_1156-19-0,O=C(NS(=O)(=O)c1ccc(cc1)C)NN1CCCCCC1,0
-hansen_16582-03-9,Nc1cccc2c1nc1cccc(c1n2)N,1
-hansen_42471-28-3,ClCCN(C(=O)NCc1cnc(nc1N)C)N=O,1
-hansen_22755-15-3,CC(=O)Nc1ccc2c3c1ccc1c3c(cc2)ccc1,1
-hansen_NOCAS_M330,C1=C[C@H]2[C@@H](C1)[C@@H]1C=C[C@H]2C1,0
-hansen_112-49-2,COCCOCCOCCOC,1
-hansen_54522-52-0,OCC1OC(OC2CCC3(C(=CCC4C3CCC3(C4CC4C3C(C)C(O4)(OC)CCC(COC3OC(CO)C(C(C3O)O)O)C)C)C2)C)C(C(C1OC1OC(C)C(C(C1O)O)O)O)OC1OC(C)C(C(C1O)O)O,0
-hansen_88169-60-2,COC(=O)C(CSCCCl)N,1
-hansen_103-33-3,c1ccc(cc1)N=Nc1ccccc1,1
-hansen_95-51-2,Nc1ccccc1Cl,0
-hansen_115-96-8,ClCCOP(=O)(OCCCl)OCCCl,0
-hansen_77-06-5,OC(=O)[C@H]1[C@H]2[C@]3([C@@H]4[C@]51CC(=C)[C@](C5)(O)CC4)C=C[C@@H]([C@@]2(C)C(=O)O3)O,0
-hansen_4914-30-1,CCC1=C(CC2NCCc3c2cc(OC)c(c3)OC)CC2N(C1)CCc1c2cc(c(c1)OC)OC,0
-hansen_51230-49-0,Clc1ccc2c(c1)c1ccccc1o2,1
-hansen_94-75-7,OC(=O)COc1ccc(cc1Cl)Cl,0
-hansen_389-08-2,CCn1cc(C(=O)O)c(=O)c2c1nc(C)cc2,0
-hansen_2493-84-7,CCCCCCCCOc1ccc(cc1)C(=O)O,0
-hansen_75-09-2,ClCCl,1
-hansen_159714-84-8,Cc1cccc2c1-c1cc3ccccc3cc1C1C2N1,1
-hansen_97672-08-7,N#CCc1cn(c2c1cccc2)N=O,1
-hansen_108-10-1,CC(CC(=O)C)C,0
-hansen_122-88-3,OC(=O)COc1ccc(cc1)Cl,0
-hansen_1728-96-7,COc1ccc(cc1)c1nc(c([nH]1)c1ccc(cc1)OC)c1ccc(cc1)OC,1
-hansen_100-20-9,ClC(=O)c1ccc(cc1)C(=O)Cl,1
-hansen_7493-72-3,CCCCCCCCC(=O)OCC=C,0
-hansen_106532-73-4,Clc1cccc(c1)C(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1cccc(c1)Cl,1
-hansen_548-93-6,OC(=O)c1cccc(c1N)O,0
-hansen_149922-82-7,ClC1c2cc3ccccc3c3c2c2c1cccc2cc3,1
-hansen_104145-44-0,COC(=O)c1nc(c2ccc3c(n2)C(=O)C=CC3=O)c2c(c1)c1ccccc1[nH]2,1
-hansen_85-02-9,c1ccc2c(c1)ccc1c2cccn1,1
-hansen_38915-28-5,ClCCN(CCCNc1c2ccc(cc2nc2c1nc(OC)cc2)Cl)CC,1
-hansen_NOCAS_M582,C[C@H](C[N+](NC(=O)C(=C)C)(C)C)O,0
-hansen_13674-87-8,ClCC(OP(=O)(OC(CCl)CCl)OC(CCl)CCl)CCl,1
-hansen_85-81-4,COc1cc2cccnc2c(c1)[N+](=O)[O-],1
-hansen_129251-09-8,[O-][N+](=O)C(CC)CCOCN1C=CN(C1/C=N/O)C,0
-hansen_958-93-0,CN(CCN(c1ccccn1)Cc1cscc1)C,0
-hansen_617-35-6,CCOC(=O)C(=O)C,0
-hansen_106-39-8,Clc1ccc(cc1)Br,0
-hansen_78-93-3,CCC(=O)C,0
-hansen_63710-10-1,COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)OC1CC(O)C(C(O1)C)OC1CC(O)C(C(O1)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,1
-hansen_119-84-6,O=C1CCc2c(O1)cccc2,0
-hansen_764-42-1,N#C/C=C\C#N,0
-hansen_32157-71-4,Brc1ccc(cc1)C(=O)C1OC1c1ccccc1,0
-hansen_NOCAS_M265,OC[C@@H](CI)O,1
-hansen_NOCAS_M342,CCCCC[C@H](OC(=O)c1cccc(c1)C(=O)O[C@@H](CCCCC)CC)CC,0
-hansen_NOCAS_M304,COC(=O)[C@@]1(O[C@@]1(C)[C@@H](C(C)C)O)C(=O)N,1
-hansen_158729-21-6,Cc1cccc(c1)NS(=O)(=O)c1cccc2c1nccc2,0
-hansen_262-12-4,c1ccc2c(c1)Oc1c(O2)cccc1,0
-hansen_99-35-4,[O-][N+](=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],1
-hansen_832-69-9,Cc1cccc2c1ccc1c2cccc1,1
-hansen_3761-53-3,Cc1ccc(c(c1)C)N=Nc1c2ccc(cc2cc(c1O)S(=O)(=O)O)S(=O)(=O)O,1
-hansen_38716-10-8,OOCc1cn(C2CC(C(O2)CO)O)c(=O)[nH]c1=O,1
-hansen_160543-00-0,OCc1c2cc(C)ccc2nc2c1ccc1c2cccc1,1
-hansen_118-92-3,OC(=O)c1ccccc1N,0
-hansen_63521-85-7,OCC(=O)C1(O)CC(OC2CC(N)CC(O2)C)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC,1
-hansen_603-87-2,[O-][N+](=O)c1cccc(c1O)N,0
-hansen_3153-55-7,COc1c(O)cc2c3c1-c1ccccc1CC3N(CC2)C,1
-hansen_1686-14-2,CC1(C)C2CC3C(C1C2)(C)O3,0
-hansen_188107-70-2,[O-][N+](=O)c1ccc2c(c1)n(C)c1c2cccc1,1
-hansen_22433-76-7,CC(=O)Nc1ccc2c(c1)cccn2,1
-hansen_117-12-4,Oc1cccc2c1C(=O)c1cccc(c1C2=O)O,1
-hansen_2154-68-9,OC(=O)C1CC(N(C1(C)C)O)(C)C,0
-hansen_150147-09-4,OCCN(c1ccc(cc1)N=Nc1ccc(nc1)N(CCO)CCO)CCO,0
-hansen_621-77-2,CCCCCN(CCCCC)CCCCC,0
-hansen_135105-90-7,COc1cc(OC)c2c(c1)OC1C2C2OC2O1,1
-hansen_23590-59-2,Clc1nncc2c1nccc2,1
-hansen_27554-26-3,CC(CCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)C)C,0
-hansen_108-38-3,Cc1cccc(c1)C,0
-hansen_525-66-6,O[C@@H](COc1cccc2c1cccc2)CNC(C)C,0
-hansen_160543-10-2,OCc1ccc2c(c1)nc1c(c2CO)ccc2c1cccc2,0
-hansen_89-63-4,Clc1ccc(c(c1)[N+](=O)[O-])N,1
-hansen_97461-42-2,[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NCCCCC,1
-hansen_623-24-5,BrCc1ccc(cc1)CBr,0
-hansen_53552-01-5,O=CNc1ccc(cc1)Oc1ccc(cc1Cl)Cl,1
-hansen_50-02-2,OCC(=O)[C@@]1(O)[C@H](C)CC2[C@]1(C)C[C@H](O)[C@]1(C2CCC2=CC(=O)C=C[C@]12C)F,0
-hansen_2062-78-4,Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(O)nc2c1cccc2,0
-hansen_162022-93-7,Clc1nncc2c1cncc2,0
-hansen_108-98-5,Sc1ccccc1,0
-hansen_626-60-8,Clc1cccnc1,0
-hansen_103-17-3,Clc1ccc(cc1)SCc1ccc(cc1)Cl,0
-hansen_57-71-6,C/C(=N/O)/C(=O)C,0
-hansen_74-95-3,BrCBr,1
-hansen_104-78-9,NCCCN(CC)CC,0
-hansen_128350-04-9,N#C/C(=C\C(C(C(c1ccc(cc1)F)C#N)c1ccccc1)C)/c1ccc(cc1)F,0
-hansen_2438-88-2,COc1c(Cl)c(Cl)c(c(c1Cl)Cl)[N+](=O)[O-],0
-hansen_114656-96-1,O=C1C=C(N2CC2)C(=O)c2c1[nH]c(C)c1-c2nc2c1cccc2,1
-hansen_97166-13-7,CC(C(CBr)Br)Cl,1
-hansen_82-71-3,[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1O)[N+](=O)[O-])O,0
-hansen_645-05-6,CN(c1nc(nc(n1)N(C)C)N(C)C)C,0
-hansen_110-82-7,C1CCCCC1,0
-hansen_92134-94-6,OCC(C(C(C1SCCN1N=O)O)O)O,0
-hansen_NOCAS_M327,CN(CCO[C@](c1ccccn1)(c1ccccc1)C)C,0
-hansen_67976-98-1,c1ccc2-c3cc4c(nc3C3C(c2c1)O3)ccc1c4cccc1,1
-hansen_7203-89-6,Cc1ccc(cc1)N=NN(C)C,1
-hansen_NOCAS_M384,C=C[C@@](OC(=O)c1ccccc1N)(CCC=C(C)C)C,0
-hansen_1767-28-8,Oc1ccc2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],1
-hansen_98736-49-3,O=NN(Cc1cccc(c1)C#N)C,1
-hansen_288-47-1,c1nccs1,1
-hansen_95741-57-4,Cc1cc2cccc3-c4c(-c(c1)c23)cc1ccccc1c4,1
-hansen_7379-35-3,Clc1ccncc1,0
-hansen_NOCAS_M369,C[C@H](COC[C@H](O)C)O,0
-hansen_99240-67-2,CC(=O)Nc1ccc2-c3c(Cc2c1OC(=O)c1ccccc1)cccc3,0
-hansen_894-52-0,O=C1CCc2c1c(C)c(C)c1c2ccc2c1cccc2,1
-hansen_NOCAS_M457,NC[C@H](N)C,0
-hansen_58-54-8,CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)O,0
-hansen_87425-69-2,OC1C=Cc2c(C1O)c(Br)c1c(c2)c2ccccc2cc1,0
-hansen_54-31-9,OC(=O)c1cc(c(cc1NCc1ccco1)Cl)S(=O)(=O)N,0
-hansen_115165-01-0,Oc1cccc2c1c1cc3ccccc3cc1c1c2cccc1,0
-hansen_69227-45-8,OCC1OC(OC(C(C(=O)NC(C(C(C(=O)NC(C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCN(CCCNC(=N)CC2CCC(CC2)Cl)C)C(O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)C(C(=O)N)CNCC(C(=O)N)N)c2c[nH]cn2)C(C(C1O)O)OC1OC(CO)C(C(C1O)OC(=O)N)O,1
-hansen_2353-45-9,CC[N+](=C1C=CC(=C(c2ccc(cc2S(=O)(=O)O)O)c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)C=C1)Cc1cccc(c1)S(=O)(=O)O,0
-hansen_394-69-4,Fc1cccc2c1cccn2,1
-hansen_95-79-4,Clc1ccc(c(c1)N)C,0
-hansen_33089-36-0,O1CCOCCOCCOCCOCCOCCOCC1,0
-hansen_38363-41-6,OC(COc1ccccc1C1CCCC1)CNC(C)(C)C,1
-hansen_420-12-2,S1CC1,1
-hansen_497-23-4,C1OC(=O)C=C1,0
-hansen_111858-66-3,O=NN(C1OCC(C(C1O)O)O)CCc1c[nH]c2c1cccc2,1
-hansen_100850-37-1,NNC(=O)CN(c1ccc2c(c1)cccc2)C,0
-hansen_148193-32-2,COc1nsc2c1ccc(c2)[N+](=O)[O-],1
-hansen_115767-74-3,CC/C(=C(\c1ccc(cc1)OP(=O)(O)O)/c1ccc(cc1)OCCN(C)C)/c1ccc(cc1)C(C)C,0
-hansen_15961-88-3,[O-][N+](=Nc1ccc2-c3c(Cc2c1)cccc3)c1ccc2-c3c(Cc2c1)cccc3,0
-hansen_600-14-6,CCC(=O)C(=O)C,0
-hansen_110-59-8,CCCCC#N,0
-hansen_67274-48-0,ON(c1ccc(cc1)Br)C(=O)C,0
-hansen_3096-63-7,ONc1c(C)cccc1C,1
-hansen_4418-26-2,Cc1cc(O)c(c(=O)o1)C(=O)C,0
-hansen_NOCAS_M140,c1ccc2-c3c([C@H]4[C@@H](c2c1)O4)ccc1c3cccc1,1
-hansen_NOCAS_M458,CC(C[C@H](Nc1ccc(cc1)Nc1ccccc1)C)C,0
-hansen_24961-39-5,BrCc1c2ccc3c(c2cc2c1cccc2)cccc3,1
-hansen_482-66-6,C1Cc2c(C1)c1ccc3c(c1cc2)cccc3,0
-hansen_2815-45-4,CC(C1CCC2(CC1)OC2)(C)C,0
-hansen_105752-67-8,[O-][N+](=O)c1ccc2c(c1)cccc2C,1
-hansen_13060-14-5,COc1cc(cc(c1OC)OC)C1OCC2C1COC2c1cc(OC)c(c(c1)OC)OC,0
-hansen_40321-99-1,CCC(COC(=O)c1ccccc1C(=O)O)CCC(O)C,0
-hansen_96563-06-3,CC1c2ccccc2-c2c1cc(C)c(c2)C,1
-hansen_781-43-1,Cc1c2ccccc2c(c2c1cccc2)C,1
-hansen_54-16-0,OC(=O)Cc1c[nH]c2c1cc(O)cc2,0
-hansen_6317-18-6,N#CSCSC#N,0
-hansen_62450-06-0,Nc1nc(C)c2c(c1C)[nH]c1c2cccc1,1
-hansen_36848-41-6,[O-][N+](=O)c1cccc2c1nc1cccc(c1n2)[N+](=O)[O-],0
-hansen_NOCAS_M59,[N-]=[N+]=NC[C@H](Cn1cnc2c1ncnc2N)O,1
-hansen_7570-37-8,COc1ccc(cc1)/C=C/c1ccc(cc1)N,1
-hansen_60262-85-3,OC1C(O)C(OC(C1O)C(=O)O)Oc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,0
-hansen_188970-88-9,Oc1ccc2c(c1)c1c(cc2)[nH]c2c1c1ccccc1c(c2)[N+](=O)[O-],1
-hansen_120-52-5,O=C(c1ccccc1)ON=C1C=CC(=NOC(=O)c2ccccc2)C=C1,1
-hansen_475-75-2,O=C1c2ccccc2-c2c3c1nccc3cc1c2OCO1,1
-hansen_106-96-7,BrCC#C,1
-hansen_108-89-4,Cc1ccncc1,0
-hansen_590-88-5,NCCC(N)C,0
-hansen_99-66-1,CCCC(C(=O)O)CCC,0
-hansen_99217-04-6,CC(=O)Oc1cc([N+](=O)[O-])c2c3c1ccc1c3c(cc2)ccc1,1
-hansen_8022-00-2,CCSCCOP(=S)(OC)OC,0
-hansen_24698-43-9,CC(COS(=O)(=O)c1ccccc1)C,1
-hansen_173216-44-9,N#N=NCCC(c1ccccc1)c1ccccc1,1
-hansen_581-89-5,[O-][N+](=O)c1ccc2c(c1)cccc2,1
-hansen_115550-35-1,CN1CCN(CC1)c1c(F)cc2c3c1OCN(n3cc(c2=O)C(=O)O)C,1
-hansen_105-55-5,CCNC(=S)NCC,0
-hansen_NOCAS_M382,CCCC[C@H](CO)CC,0
-hansen_23788-22-9,Oc1ccc(cc1)OP1(Oc2ccc(cc2)O)NP(Oc2ccc(cc2)O)(Oc2ccc(cc2)O)NP(N1)(Oc1ccc(cc1)O)Oc1ccc(cc1)O,0
-hansen_104789-46-0,ClCCNC(=O)Sc1[nH]cnc2-c1ncn2,1
-hansen_1120-36-1,CCCCCCCCCCCCC=C,0
-hansen_51325-91-8,N#CC(=C1C=C(/C=C/c2ccc(cc2)N(C)C)OC(=C1)C)C#N,1
-hansen_135086-99-6,O=C(c1[nH]c2c(c1N)cccc2)N/N=C/c1ccccc1,0
-hansen_61845-52-1,CCOC1=CC(c2ccccc2)(c2ccccc2)N(c2c1cccc2)O,0
-hansen_24400-01-9,CN(CCCNc1c2ccccc2nc2c1c(ccc2C)[N+](=O)[O-])C,1
-hansen_31438-22-9,[O-][N+](=O)c1cccc2c1[nH]c1c2cccc1,1
-hansen_124617-83-0,CCON(C(=O)c1ccccc1)OC(=O)C,1
-hansen_578-06-3,Nc1cccc2c1cc1ccccc1n2,1
-hansen_71432-00-3,O=c1oc2cccc3c2c2c1cc1ccccc1c2cc3,1
-hansen_87-10-5,Brc1ccc(cc1)NC(=O)c1cc(Br)cc(c1O)Br,0
-hansen_100-52-7,O=Cc1ccccc1,0
-hansen_2437-56-1,CCCCCCCCCCCC=C,0
-hansen_102-60-3,CC(CN(CC(O)C)CCN(CC(O)C)CC(O)C)O,0
-hansen_68302-57-8,CC(c1ccc2c(c1)c(=O)c1c(o2)nc(c(c1)C(=O)O)N)C,0
-hansen_140-11-4,CC(=O)OCc1ccccc1,0
-hansen_120404-26-4,OCCNc1ccc(cc1)N=Nc1ccc(cc1)NCCO,1
-hansen_3009-50-5,COc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,1
-hansen_131-11-3,COC(=O)c1ccccc1C(=O)OC,0
-hansen_626-15-3,BrCc1cccc(c1)CBr,0
-hansen_1666-13-3,c1ccc(cc1)[Se][Se]c1ccccc1,1
-hansen_87-65-0,Clc1cccc(c1O)Cl,0
-hansen_2319-96-2,Cc1cc2cc3ccccc3cc2c2c1cccc2,1
-hansen_92569-05-6,ClC(C(=O)N1CCN(C1=O)c1ncc(s1)[N+](=O)[O-])Cl,1
-hansen_73018-98-1,OC(CO)CN=N#N,1
-hansen_19406-51-0,Nc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,1
-hansen_20496-16-6,CCc1ccc2-c3c(-c4c2c1ccc4)cccc3,0
-hansen_144730-01-8,O=C1CCc2c1cc(c1c2ccc2c1cccc2)C(F)(F)F,1
-hansen_NOCAS_M543,O=C1NC(=O)[C@@H]2[C@H]1CC=CC2,0
-hansen_54-11-5,CN1CCC[C@@H]1c1cccnc1,0
-hansen_529-49-7,Oc1cc(O)c2c(c1)oc1c(c2=O)cc(cc1)O,1
-hansen_1918-13-4,NC(=S)c1c(Cl)cccc1Cl,1
-hansen_67019-30-1,CC(=O)N(c1snc2c1cccc2)C,0
-hansen_60877-86-3,c1ccc(cc1)/C=N/c1snc2c1cccc2,0
-hansen_148193-29-7,c1cc(OCC2CO2)c2c(c1)cns2,1
-hansen_140-95-4,OCNC(=O)NCO,1
-hansen_111955-19-2,OC1C(O)C(O)COC1N(c1ccc(cc1)C)N=O,1
-hansen_479-45-8,CN(c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],1
-hansen_109-89-7,CCNCC,0
-hansen_NOCAS_M62,C1O[C@H]1C=O,1
-hansen_51837-64-0,COc1cc(ccc1NC(=O)C)NC(=O)C,0
-hansen_NOCAS_M194,CC(c1ccc(cc1)OC[C@@H]1OC1)(c1ccc(cc1)OC[C@@H]1OC1)C,1
-hansen_107673-64-3,[O-][N+](=O)c1ccc2-c3c4c(-c2c1)cc1ccccc1c4ccc3,1
-hansen_NOCAS_M321,CN([C@H]1C(=O)C(=C([C@]2([C@H]1[C@H](O)[C@H]1C(=C2O)C(=O)c2c([C@]1(C)O)cccc2O)O)O)C(=O)N)C,0
-hansen_6341-85-1,CC1(CO1)C1CO1,1
-hansen_104-82-5,ClCc1ccc(cc1)C,0
-hansen_90625-53-9,COC1=CC(=O)C=C/C/1=N\c1c2ccccc2nc2c1cccc2,0
-hansen_60102-37-6,CN1CCC2OC(=O)C3(OC3C)CC(C(C(=O)OCC(=CC1)C2=O)(C)O)C,1
-hansen_80-43-3,CC(c1ccccc1)(OOC(c1ccccc1)(C)C)C,0
-hansen_NOCAS_M20,OC[C@@H](CBr)Br,1
-hansen_16292-86-7,Nc1ccc(c(c1)O)[N+](=O)[O-],1
-hansen_103395-25-1,ClCc1ccc2c3c1-c1ccccc1-c3ccc2,1
-hansen_3626-28-6,Oc1ccc(cc1)N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)N=Nc1ccccc1)S(=O)(=O)O,1
-hansen_2876-23-5,Nc1ccc2c(c1)nc1c(n2)cccc1,1
-hansen_119-53-9,O[C@H](C(=O)c1ccccc1)c1ccccc1,0
-hansen_818-61-1,OCCOC(=O)C=C,0
-hansen_110-13-4,CC(=O)CCC(=O)C,0
-hansen_91137-27-8,[O-][N+](=O)c1cccc2c1cccc2C,1
-hansen_16830-15-2,OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)[C@@]34CC[C@H]([C@@H]([C@H]4C4=CC[C@H]5[C@@]([C@@]4(CC3)C)(C)CC[C@@H]3[C@]5(C)C[C@H]([C@@H]([C@@]3(C)CO)O)O)C)C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O,0
-hansen_5336-53-8,O=NN(Cc1ccccc1)Cc1ccccc1,0
-hansen_39156-41-7,COc1ccc(cc1N)NOS(=O)(=O)O,1
-hansen_102-77-2,O1CCN(CC1)Sc1nc2c(s1)cccc2,0
-hansen_NOCAS_M388,CC[C@]1(OCCc2c1n(C)c1c2cccc1)CC(=O)O,0
-hansen_52-67-5,NC(C(S)(C)C)C(=O)O,1
-hansen_NOCAS_M413,O[C@@H](COc1cccc2c1OC[C@H](C2)O[N+](=O)[O-])CNC(C)C,0
-hansen_108-94-1,O=C1CCCCC1,0
-hansen_154-93-8,ClCCNC(=O)N(CCCl)N=O,1
-hansen_153260-27-6,c1ccc2-c3ncsc3CCc2n1,0
-hansen_56719-41-6,COC(=O)/C(=C(/c1ccc(cc1Cl)Cl)\OP(=O)(OC)OC)/Br,0
-hansen_3671-78-1,O=C(c1ccccc1)Nc1ccc2-c3c(Cc2c1)cccc3,1
-hansen_38661-82-4,CC(c1ccccc1)Cl,0
-hansen_112022-13-6,CN(CCNC(=O)c1cccc2c1Nc1ccccc1O2)C,1
-hansen_91-21-4,N1CCc2c(C1)cccc2,0
-hansen_720-39-8,CCCCc1cc(C)cc(c1O)CCCC,0
-hansen_20480-67-5,C1CCC2C(C1)c1ccccc1CC2,0
-hansen_28540-82-1,CC(CC1NC(=O)C(C)N(C)C(=O)CNC(=O)/C(=C\c2ccccc2)/N(C1=O)C)C,0
-hansen_109621-20-7,COC(=O)C(NC(=O)C)CSCC(Br)C,1
-hansen_54292-61-4,OCCN(c1ccc(c(c1)C)N=Nc1cccnc1)CCO,0
-hansen_89459-43-8,CN(CCNC(=O)c1cccc2c1nc1ccccc1c2N)C,1
-hansen_43192-03-6,ONc1ccc(c(c1)[N+](=O)[O-])C,0
-hansen_7786-61-0,COc1cc(C=C)ccc1O,0
-hansen_NOCAS_M385,CCc1cccc2c1oc(c2)[C@@H](CNC(C)(C)C)O,0
-hansen_122021-01-6,CCCCC(COC(=O)c1ccc(cc1)N(N=O)C)CC,0
-hansen_813-78-5,COP(=O)(OC)O,0
-hansen_577-59-3,[O-][N+](=O)c1ccccc1C(=O)C,0
-hansen_92-36-4,Nc1ccc(cc1)c1nc2c(s1)cc(cc2)C,1
-hansen_13506-76-8,OC(c1c(C)cccc1[N+](=O)[O-])O,1
-hansen_439-14-5,Clc1ccc2c(c1)C(=NCC(=O)N2C)c1ccccc1,0
-hansen_7364-25-2,Oc1[nH]nc2c1cccc2,0
-hansen_109-01-3,CN1CCNCC1,0
-hansen_4424-06-0,O=c1c2ccc3c4c2c(c2n1c1ccccc1n2)ccc4c(=O)n1c3nc2c1cccc2,1
-hansen_218-02-0,c1ccc2c(c1)ccc1c2ccc2c1ccnc2,1
-hansen_131-73-7,[O-][N+](=O)c1cc(cc(c1Nc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],1
-hansen_1321-94-4,Cc1ccc2c(c1)cccc2,0
-hansen_5329-87-3,[O-][N+](=O)c1ccc2-c3ccccc3CCc2c1,1
-hansen_63224-44-2,CCCCCCCCCCCCCC(=O)ON(c1ccc2-c3c(Cc2c1)cccc3)C(=O)C,1
-hansen_85-68-7,CCCCOC(=O)c1ccccc1C(=O)OCc1ccccc1,0
-hansen_98114-62-6,OCN=N,1
-hansen_75-50-3,CN(C)C,0
-hansen_108-91-8,NC1CCCCC1,0
-hansen_72-56-0,CCc1ccc(cc1)C(c1ccc(cc1)CC)C(Cl)Cl,1
-hansen_128505-52-2,CCN(C(=S)SSCC(C(=O)O)NC(=O)C)CC,0
-hansen_738-70-5,COc1cc(Cc2cnc(nc2N)N)cc(c1OC)OC,0
-hansen_131-92-0,O=C(c1ccccc1)Nc1cccc2c1C(=O)c1ccc3c(c1C2=O)[nH]c1c3cc(c2c1C(=O)c1ccccc1C2=O)NC(=O)c1ccccc1,0
-hansen_1888-89-7,C(C1OC1)CC1OC1,1
-hansen_61734-86-9,CCCCCN(CCCCO)N=O,1
-hansen_104-04-1,CC(=O)Nc1ccc(cc1)[N+](=O)[O-],0
-hansen_17135-78-3,Clc1ccc2c(c1)cc1c(c2)cccc1,1
-hansen_34430-26-7,[O-][N+](=O)[CH-]CCCC,0
-hansen_68006-83-7,Cc1cc2c(nc1N)[nH]c1c2cccc1,1
-hansen_63-56-9,COc1ccc(cc1)CN(c1ncccn1)CCN(C)C,0
-hansen_5875-25-2,CC(C(=O)N)Br,1
-hansen_1732-23-6,Nc1cc2ccc3c4c2c(c1)ccc4ccc3,1
-hansen_50-01-1,NC(=N)N,0
-hansen_88598-59-8,OC1C=Cc2c(C1O)cc1c3c2ccc2c3c(cc1)ccc2[N+](=O)[O-],1
-hansen_144-48-9,NC(=O)CI,0
-hansen_6629-29-4,Nc1cc(N)c(c(c1)[N+](=O)[O-])C,1
-hansen_89811-25-6,CC(CNC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,1
-hansen_98931-06-7,CCCn1cc2c3c1cccc3C1C(C2)N(C#N)CC(C1)C,1
-hansen_620-26-8,O=Nc1cccc(c1)C,0
-hansen_31431-39-7,COC(=O)Nc1[nH]c2c(n1)cc(cc2)C(=O)c1ccccc1,1
-hansen_96910-70-2,OCC1=C[C@@H]2CC(C[C@H]2[C@]2([C@]1(C=O)C2)C)(C)C,1
-hansen_54607-64-6,OC(=O)c1occ(c1c1ccccc1)c1ccccc1,0
-hansen_67019-28-7,O=C(c1ccccc1)Nc1snc2c1cccc2,1
-hansen_620-88-2,[O-][N+](=O)c1ccc(cc1)Oc1ccccc1,1
-hansen_93-72-1,CC(C(=O)O)Oc1cc(Cl)c(cc1Cl)Cl,0
-hansen_41840-28-2,O=C(OC(C)(C)C)Sc1nc(C)cc(n1)C,0
-hansen_163275-64-7,Fc1ccc(c2c1ccc1c2nccc1)F,1
-hansen_105-36-2,CCOC(=O)CBr,1
-hansen_106-44-5,Cc1ccc(cc1)O,0
-hansen_606-35-9,COc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],1
-hansen_2498-77-3,Cc1cccc2c1c1cc3ccccc3cc1cc2,1
-hansen_136112-73-7,[O-][N+](=O)c1cc(ccc1n1cnc2c1ncnc2N)[N+](=O)[O-],1
-hansen_66842-42-0,Cc1c2ccccc2c(c2c1cccc2)[C@@H]1CO1,1
-hansen_99-98-9,CN(c1ccc(cc1)N)C,1
-hansen_25125-72-8,N1[C@@H]([C@H]1c1ccccc1)c1ccccc1,1
-hansen_25799-70-6,COc1ccc(c2c1nc1ccccc1c2NCCCN(C)C)[N+](=O)[O-],1
-hansen_96014-36-7,[O-][N+](=O)c1c(N)ccc2c1c1ccccc1[nH]2,1
-hansen_51938-14-8,CCCCN(CCO)N=O,1
-hansen_107-22-2,O=CC=O,1
-hansen_74877-25-1,O=C1C=Cc2c(C1=O)ccc1c2cc2ccccc2c1,0
-hansen_144-62-7,OC(=O)C(=O)O,0
-hansen_NOCAS_M450,CC[C@H](Nc1ccc(cc1)N[C@@H](CC)C)C,0
-hansen_892-17-1,O=C1CCc2c1cc(C)c1c2ccc2c1cccc2,1
-hansen_111-30-8,O=CCCCC=O,1
-hansen_64314-52-9,OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@H]([C@@H](O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2,1
-hansen_7681-76-7,NC(=O)OCc1ncc(n1C)[N+](=O)[O-],1
-hansen_85431-61-4,OCC1(CO1)C12OC2C2(C(=CC1=O)CCC(C2C)O)C,1
-hansen_55-86-7,ClCCN(CCCl)C,1
-hansen_130-15-4,O=C1C=CC(=O)c2c1cccc2,1
-hansen_86-87-3,OC(=O)Cc1cccc2c1cccc2,0
-hansen_67392-87-4,O=C1CCC2(C(=C1)C1CC1C1C2CCC2(C1C1CC1C12CCC(=O)O1)C)C,0
-hansen_92116-67-1,CNc1ccc2c(c1N)nc(cn2)C,0
-hansen_137-26-8,CN(C(=S)SSC(=S)N(C)C)C,1
-hansen_100-51-6,OCc1ccccc1,0
-hansen_184582-58-9,Oc1c2c(ccc3c2OCCO3)nc2c1cccc2,1
-hansen_81-13-0,OCCCNC(=O)C(C(CO)(C)C)O,0
-hansen_630-17-1,BrCC(C)(C)C,0
-hansen_56986-35-7,CCCCN([C@H](OC(=O)C)CCC)N=O,1
-hansen_142078-76-0,OC1C2OC2c2c(C1O)cccn2,0
-hansen_68884-32-2,c1ccc2c(c1)c(ccc2)CC1CO1,1
-hansen_5417-50-5,CC(=O)Nc1cnc2c(c1)cccc2,0
-hansen_155164-64-0,CCC(=O)n1ncc(c(c1=O)Cl)Cl,0
-hansen_5784-45-2,Clc1nncc2c1cccc2,0
-hansen_89-62-3,Cc1ccc(c(c1)[N+](=O)[O-])N,1
-hansen_93-05-0,CCN(c1ccc(cc1)N)CC,1
-hansen_96-37-7,CC1CCCC1,0
-hansen_28164-57-0,Cc1cc(O)c2c(c1)C(=O)C(=CC2=O)c1c(C)cc2c(c1O)C(=O)C=CC2=O,0
-hansen_98151-91-8,O[C@H]1C=Cc2c([C@@H]1O)c1ccc3c4c1c(c2)ccc4c(cc3)[N+](=O)[O-],1
-hansen_205-82-3,c1ccc2c(c1)ccc1-c3c4c(-c21)cccc4ccc3,1
-hansen_127072-59-7,CC/C=C/C=C/C=C/C=C/C=C/SCC(CO)O,0
-hansen_5496-41-3,COc1cc(ccc1OC)c1nc(c([nH]1)c1ccccc1)c1ccccc1,1
-hansen_92134-95-7,O=NN1CCSC1C(C(C(C(O)C)O)O)O,0
-hansen_1929-73-3,CCCCOCCOC(=O)COc1ccc(cc1Cl)Cl,0
-hansen_10453-89-1,CC(=CC1C(C1(C)C)C(=O)O)C,0
-hansen_935-95-5,Clc1cc(Cl)c(c(c1Cl)O)Cl,0
-hansen_30560-19-1,COP(=O)(NC(=O)C)SC,0
-hansen_230-46-6,c1cnc2c(c1)ccc1c2cccn1,1
-hansen_1928-38-7,COC(=O)COc1ccc(cc1Cl)Cl,0
-hansen_480-22-8,Oc1cccc2c1c(O)c1c(c2)cccc1O,0
-hansen_4394-00-7,OC(=O)c1cccnc1Nc1cccc(c1)C(F)(F)F,0
-hansen_5632-47-3,O=NN1CCNCC1,1
-hansen_135294-98-3,BrCc1ccc2-c3c(-c4c2c1ccc4)cccc3,1
-hansen_75-34-3,CC(Cl)Cl,0
-hansen_75888-03-8,[O-][N+](=O)c1ccc(o1)/C=N/N1CCCNC1=O,1
-hansen_1504-74-1,O=C/C=C\c1ccccc1OC,1
-hansen_703-83-3,CCNc1snc2c1cccc2,0
-hansen_70092-13-6,O=C1C=Cc2c(C1=O)ccc1c2c(C)c2ccccc2c1C,0
-hansen_3930-20-9,CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C,0
-hansen_75996-85-9,CCOC(=O)Cc1c(C(=O)O)c2c(n1C)cccc2,0
-hansen_61691-82-5,C=C[C@H](c1ccc(cc1)OC)OC(=O)C,1
-hansen_10088-95-6,C/C=C/c1cc2OC(C)C(C(=O)c2c(=O)o1)O,0
-hansen_431-03-8,CC(=O)C(=O)C,1
-hansen_92433-40-4,CC(=O)Nc1cc2Cc3c(-c2cc1Cl)cccc3,1
-hansen_110-16-7,OC(=O)/C=C\C(=O)O,0
-hansen_33704-61-9,O=C1CCCC2=C1C(C)(C)C(C2(C)C)C,0
-hansen_109-70-6,ClCCCBr,1
-hansen_60-80-0,O=c1cc(n(n1c1ccccc1)C)C,0
-hansen_68688-84-6,CC1(O)C=Cc2c3C1(O)CCc3c1c(c2)c2ccccc2cc1,1
-hansen_108-68-9,Cc1cc(C)cc(c1)O,0
-hansen_91626-52-7,Clc1c(Cl)cnn(c1=O)S(=O)(=O)C,1
-hansen_95-33-0,C1CCC(CC1)NSc1nc2c(s1)cccc2,0
-hansen_73198-02-4,OCC1NC(Cc2c1[nH]c1c2cccc1)C(=O)O,0
-hansen_60971-98-4,COC(=O)C1=C(C)C(OC1=O)(C)O,0
-hansen_16239-84-2,Nc1scc(n1)/C=C\c1ccc(o1)[N+](=O)[O-],1
-hansen_89459-25-6,CN(CCNC(=O)c1cccc2c1nc1ccccc1c2)C,1
-hansen_108-70-3,Clc1cc(Cl)cc(c1)Cl,0
-hansen_24934-91-6,CCOP(=S)(SCCl)OCC,0
-hansen_580-18-7,Oc1cnc2c(c1)cccc2,0
-hansen_71-41-0,CCCCCO,0
-hansen_160543-14-6,OCc1ccc2c(c1)c(C)c1c(n2)c2C=CC(C(c2cc1)O)O,1
-hansen_1953-54-4,Oc1ccc2c(c1)cc[nH]2,0
-hansen_15012-61-0,COC1=C(CC)C(=O)c2c(C1=O)c(O)c(c(c2O)OC)OC,0
-hansen_144-80-9,CC(=O)NS(=O)(=O)c1ccc(cc1)N,0
-hansen_24085-03-8,OCc1cc(ccc1O)C(CN(C(C)(C)C)Cc1ccccc1)O,1
-hansen_1769-41-1,O/N=C/C(=O)Nc1ccccc1,0
-hansen_6653-71-0,CC(C(=O)NCc1ccccc1)Br,1
-hansen_198-55-0,c1cc2cccc3c2c(c1)c1cccc2c1c3ccc2,1
-hansen_578-95-0,Oc1c2ccccc2nc2c1cccc2,0
-hansen_138805-33-1,CC(=O)Nc1ccc(c(c1)N=Nc1cc(ccc1C)NC(=O)C)C,0
-hansen_24684-56-8,O[C@H]1Cc2c(C1=O)cc(c1c2ccc2c1cccc2)C,1
-hansen_119-34-6,Nc1ccc(c(c1)[N+](=O)[O-])O,1
-hansen_75-05-8,CC#N,0
-hansen_2304-85-0,O=C1C=Cc2c3c1ccc1c3c(cc2)C=CC1=O,1
-hansen_84-88-8,Oc1ccc(c2c1nccc2)S(=O)(=O)O,1
-hansen_110417-88-4,CCC(C(N(C(=O)C(C(C)C)NC(=O)C(N(C)C)C(C)C)C)C(CC(=O)N1CCCC1C(C(C(=O)NC(c1nccs1)Cc1ccccc1)C)OC)OC)C,0
-hansen_112368-27-1,O=C1CCC(=O)N1c1ccc(c(c1Cl)Cl)Cl,0
-hansen_29975-16-4,Clc1ccc2-n3cnnc3CN=C(c2c1)c1ccccc1,0
-hansen_96614-59-4,Cl/C=C(/SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)\Cl,1
-hansen_25168-26-7,CC(CCCCCOC(=O)Cc1ccc(cc1Cl)Cl)C,0
-hansen_4436-24-2,O1CC1Cc1ccccc1,1
-hansen_NOCAS_M123,N[C@H](C(=O)O)CS/C(=C/Cl)/Cl,1
-hansen_131-17-9,C=CCOC(=O)c1ccccc1C(=O)OCC=C,0
-hansen_709-98-8,CCC(=O)Nc1ccc(c(c1)Cl)Cl,0
-hansen_3351-30-2,Cc1cccc2c1c1ccc3c(c1cc2)cccc3,1
-hansen_7350-43-8,CC(=O)Nc1scc(n1)/C=C\c1ccc(o1)[N+](=O)[O-],1
-hansen_86-86-2,NC(=O)Cc1cccc2c1cccc2,1
-hansen_21314-05-6,[O-][N+](=O)c1ccc(cc1)n1cnc2c1ncnc2N,1
-hansen_146177-57-3,Cc1cc2n(C)c(nc2c2c1nccn2)N,1
-hansen_15545-48-9,O=C(N(C)C)Nc1ccc(c(c1)Cl)C,0
-hansen_NOCAS_M219,O[C@H]1C=Cc2c([C@@H]1O)cc1-c3cccc4c3c(-c1c2)ccc4,1
-hansen_16709-86-7,ClC[Si](C=C)(C)C,0
-hansen_60448-19-3,c1ccc2c(c1)cc1c3c2[C@@H]2O[C@@H]2c2c3c(cc1)ccc2,1
-hansen_620-25-7,ONc1cccc(c1)C,1
-hansen_122-34-9,CCNc1nc(NCC)nc(n1)Cl,0
-hansen_121958-18-7,C1CC2CCc3c(C42C(C1)O4)cccc3,0
-hansen_1943-79-9,CNC(=O)Oc1ccccc1,0
-hansen_77-09-8,Oc1ccc(cc1)C1(OC(=O)c2c1cccc2)c1ccc(cc1)O,0
-hansen_1198-61-4,Fc1c(F)c(F)c(c(c1Cl)F)Cl,0
-hansen_1520-21-4,C=Cc1ccc(cc1)N,1
-hansen_50-55-5,COc1ccc2c(c1)[nH]c1c2CCN2[C@@H]1C[C@H]1[C@H](C2)C[C@H]([C@@H]([C@H]1C(=O)OC)OC)OC(=O)c1cc(OC)c(c(c1)OC)OC,0
-hansen_920-66-1,OC(C(F)(F)F)C(F)(F)F,0
-hansen_136112-72-6,[O-][N+](=O)c1ccc(cc1)Nc1ncnc2c1ncn2c1ccc(cc1)[N+](=O)[O-],1
-hansen_3032-55-1,CC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-],0
-hansen_27969-93-3,Cc1cccc(c1N=Nc1c(O)ccc2c1cccc2)C,0
-hansen_28921-94-0,C/C=C/C1OC(=O)C=CC1O,0
-hansen_610-30-0,[O-][N+](=O)c1cc(ccc1C(=O)O)[N+](=O)[O-],1
-hansen_505-23-7,C1CCSCS1,1
-hansen_1552-42-7,CN(c1ccc(cc1)C1(OC(=O)c2c1ccc(c2)N(C)C)c1ccc(cc1)N(C)C)C,0
-hansen_530-52-9,Oc1c2ccccc2nc2c1cco2,0
-hansen_107027-12-3,CN(CCNC(=O)c1cccc2c1nc(cc2)c1ccccc1)C,1
-hansen_158321-20-1,[O-][N+](=O)c1c(N)ccc2c1[nH]c1c2cccc1,1
-hansen_622-20-8,C(Sc1ccccc1)CSc1ccccc1,0
-hansen_723-46-6,Nc1ccc(cc1)S(=O)(=O)Nc1noc(c1)C,0
-hansen_50880-65-4,Oc1c(N=Nc2ccc(cc2)S(=O)(=O)O)c2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,1
-hansen_5401-94-5,[O-][N+](=O)c1ccc2c(c1)cn[nH]2,1
-hansen_28920-43-6,ClC(=O)OCC1c2ccccc2-c2c1cccc2,1
-hansen_81851-68-5,OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1cccc2,1
-hansen_76014-81-8,O=NN(CCCC(c1cccnc1)O)C,1
-hansen_32588-76-4,O=C1N(CCN2C(=O)c3c(C2=O)c(Br)c(c(c3Br)Br)Br)C(=O)c2c1c(Br)c(c(c2Br)Br)Br,0
-hansen_60129-60-4,OCC1OC(OC23CCC4C(C2)(CC3=C)CCC2C4(C)CCCC2(C)C(=O)O)C(C(C1O)O)O,1
-hansen_55556-94-0,O=NN1CCN([C@H](C1)C)N=O,1
-hansen_110-86-1,c1cccnc1,0
-hansen_107-04-0,ClCCBr,1
-hansen_191-07-1,c1cc2ccc3c4c2c2c1ccc1c2c2c4c(cc3)ccc2cc1,1
-hansen_99-33-2,ClC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],1
-hansen_610-66-2,N#CCc1ccccc1[N+](=O)[O-],1
-hansen_34866-46-1,NC(=O)Nc1cc(ccc1O)C(CNC(C)(C)C)O,0
-hansen_106-22-9,OCCC(CCC=C(C)C)C,0
-hansen_478-08-0,OCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,1
-hansen_141-78-6,CCOC(=O)C,0
-hansen_5461-85-8,CC(CN(C(=N)N[N+](=O)[O-])N=O)C,1
-hansen_87-51-4,OC(=O)Cc1c[nH]c2c1cccc2,0
-hansen_695-99-8,O=C1C=CC(=O)C(=C1)Cl,0
-hansen_100-14-1,ClCc1ccc(cc1)[N+](=O)[O-],1
-hansen_107-12-0,CCC#N,0
-hansen_153260-26-5,CC(=O)Nc1nc2c(s1)CCC1C2=CCCN1CC=C,0
-hansen_52748-31-9,O1C=CC2C(C=C1)O2,0
-hansen_147293-13-8,Nc1nc2c(n1C)ccc1c2nccc1,1
-hansen_24815-24-5,COc1ccc2c(c1)[nH]c1c2CCN2[C@@H]1C[C@H]1[C@H](C2)C[C@H]([C@@H]([C@H]1C(=O)OC)OC)OC(=O)/C=C/c1cc(OC)c(c(c1)OC)OC,0
-hansen_56211-40-6,CC(NC(=O)NS(=O)(=O)c1cnccc1Nc1cccc(c1)C)C,0
-hansen_4741-24-6,O1OC2c3c(C1c1c2cccc1)cccc3,0
-hansen_94500-46-6,ClCc1cc2cc3ccccc3c3c2c2c1cccc2cc3,1
-hansen_110-69-0,CCC/C=N\O,1
-hansen_15403-45-9,COC(=O)c1cc(ccc1N)c1ccc(c(c1)C(=O)OC)N,1
-hansen_1646-75-9,CSC(/C=N\O)(C)C,0
-hansen_16400-63-8,ClCC(=C)Br,1
-hansen_216-48-8,c1ccc2c(c1)c1cc3C=Cc4c3c(c1cc2)ccc4,1
-hansen_NOCAS_M367,BrC[C@H]([C@@H]1CC[C@H]([C@H](C1)Br)Br)Br,0
-hansen_95-16-9,c1ccc2c(c1)scn2,0
-hansen_117-82-8,COCCOC(=O)c1ccccc1C(=O)OCCOC,1
-hansen_26196-04-3,COC1OC1(C)C,1
-hansen_85048-96-0,OCC1OC(O)C(C(C1O)OP1(=NP(=NP(=N1)(OC1C(O)C(O)OC(C1O)CO)OC1C(O)C(O)OC(C1O)CO)(OC1C(O)C(O)OC(C1O)CO)OC1C(O)C(O)OC(C1O)CO)OC1C(O)C(O)OC(C1O)CO)O,0
-hansen_98640-42-7,CC(=O)NC(C(=O)O)CS/C(=C(/C(F)(F)F)\F)/F,0
-hansen_29814-12-8,CC(OC1OC(=O)C(=C1Cl)Cl)C,1
-hansen_1874-24-4,[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OC,1
-hansen_88652-48-6,CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCC(O)C,0
-hansen_21232-47-3,[O-][N+](=Nc1ccc(c(c1)Cl)Cl)c1ccc(c(c1)Cl)Cl,0
-hansen_NOCAS_M395,O=NN(C[C@]1(O)OC[C@H]([C@H]([C@H]1O)O)O)CC(=O)O,0
-hansen_127-69-5,Nc1ccc(cc1)S(=O)(=O)Nc1onc(c1C)C,0
-hansen_3958-57-4,BrCc1cccc(c1)[N+](=O)[O-],0
-hansen_20861-99-8,c1ccc2c(c1)cc(cc2)[C@@H]1CO1,1
-hansen_40297-54-9,OCC1OC(C(C1O)O)n1cnc2c1ncnc2NCc1ccc(cc1)[N+](=O)[O-],1
-hansen_78865-83-5,CCCCCCCCCCSCn1cc[n+](c1)C,1
-hansen_142741-10-4,[O-][N+](=O)c1cc2c3cc(nc(c3[nH]c2c(c1)[N+](=O)[O-])C)[N+](=O)[O-],1
-hansen_131-14-6,Nc1ccc2c(c1)C(=O)c1c(C2=O)cc(cc1)N,1
-hansen_108043-88-5,Oc1ccc2c(n1)ccc1c2nc(n1C)N,1
-hansen_5598-13-0,COP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OC,0
-hansen_507-19-7,CC(Br)(C)C,1
-hansen_124340-47-2,CN(CCNC(=O)c1cccc2c1nc([nH]2)c1ccccc1)C,1
-hansen_129833-02-9,CC(=O)C1(C)OC21C=Cc1c(C2=O)cccc1,0
-hansen_959-33-1,COc1ccc(cc1)/C=C/C(=O)c1ccccc1,0
-hansen_100772-18-7,OC(=O)CCC(C1CCC2C1(C)CCC1C2CCc2c1ccc(c2)O)C,0
-hansen_109-55-7,NCCCN(C)C,0
-hansen_31688-71-8,CC(=O)OCc1c2ccccc2c(c2c1cccc2)C,1
-hansen_60262-82-0,OC(=O)C1OC(Oc2ccc3c4c2ccc2c4c(cc3)cc3c2cccc3)C(C(C1O)O)O,0
-hansen_41044-12-6,CCN(c1ccc2c(c1)oc(=O)c(c2)c1nc2c(n1C)cccc2)CC,0
-hansen_20153-98-4,COc1cc(cc(c1OC)OC)C(=O)OCCCN1CCCN(CC1)CCCOC(=O)c1cc(OC)c(c(c1)OC)OC,0
-hansen_24424-99-5,O=C(OC(C)(C)C)OC(=O)OC(C)(C)C,0
-hansen_24554-26-5,O=CNc1scc(n1)c1ccc(o1)[N+](=O)[O-],1
-hansen_23452-05-3,COc1cc(O)c2c(c1)c1c(C)cc(cc1oc2=O)O,0
-hansen_125-46-2,CC(=O)C1C(=O)C=C2C(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O,0
-hansen_25635-22-7,CCOC(=O)c1cccc2c1nccc2,0
-hansen_120-22-9,CCN(c1ccc(cc1)N=O)CC,1
-hansen_52101-40-3,OC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],1
-hansen_528-29-0,[O-][N+](=O)c1ccccc1[N+](=O)[O-],1
-hansen_4337-65-9,CCCC[C@H](COC(=O)CCCCC(=O)O)CC,0
-hansen_9003-39-8,C=CN1CCCC1=O,0
-hansen_118-71-8,O=c1ccoc(c1O)C,1
-hansen_580-22-3,Nc1ccc2c(n1)cccc2,1
-hansen_94-59-7,C=CCc1ccc2c(c1)OCO2,0
-hansen_123-91-1,O1CCOCC1,0
-hansen_110933-34-1,Cc1c2ccccc2c(c2c1c1ccccc1cc2)COS(=O)(=O)O,1
-hansen_120-36-5,OC(=O)C(Oc1ccc(cc1Cl)Cl)C,0
-hansen_76215-00-4,CC(=O)OCN(N=O)CCCl,1
-hansen_35483-50-2,COC(=O)CC1OC(=O)c2c(C1)cc1c(c2O)c(O)c(c(c1)OC)c1c(OC)cc2c(c1O)c(O)c1c(c2)CC(OC1=O)CC(=O)OC,0
-hansen_33942-93-7,Cc1ccc2c(c1)cc1c(n2)c2ccccc2cc1,1
-hansen_612-83-9,Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N,1
-hansen_79243-67-7,CCCC1(O)CCC2C1(C)CCC1C2CCC2C1(C)C(C)CC(=O)C2,0
-hansen_80-40-0,CCOS(=O)(=O)c1ccc(cc1)C,1
-hansen_108-24-7,CC(=O)OC(=O)C,0
-hansen_7132-67-4,Oc1ccc2c(c1)c(N)c1c(n2)cccc1,1
-hansen_15176-29-1,OCC1OC(CC1O)n1cc(CC)c(=O)[nH]c1=O,0
-hansen_2453-44-3,O=C(c1ccc(cc1)c1ccccc1)/C=C/c1ccccc1,0
-hansen_24684-49-9,COc1cc2c3CCC(=O)c3cc(c2c2c1cccc2)C,1
-hansen_533-31-3,Oc1ccc2c(c1)OCO2,0
-hansen_91-22-5,c1ccc2c(c1)nccc2,1
-hansen_21919-05-1,NC(=O)c1cc(N2CC2)c(cc1[N+](=O)[O-])[N+](=O)[O-],1
-hansen_NOCAS_M209,CC(=C)C(=O)OC[C@@H](CBr)Br,1
-hansen_NOCAS_M425,CC/C=C/[C@H](C=O)CC,0
-hansen_49852-84-8,ClCc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0
-hansen_101-83-7,C1CCC(CC1)NC1CCCCC1,0
-hansen_99026-65-0,CC(=O)Nc1cc(O)c2c3c1ccc1c3c(cc2)ccc1,1
-hansen_619-67-0,NNc1ccc(cc1)C(=O)O,0
-hansen_81593-13-7,CCOP(=O)(N1C2C1c1ccccc1-c1c2cccc1)OCC,1
-hansen_2363-23-7,CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],1
-hansen_29122-68-7,OC(COc1ccc(cc1)CC(=O)N)CNC(C)C,0
-hansen_620-22-4,N#Cc1cccc(c1)C,0
-hansen_506-21-8,CCCCC/C=C/C/C=C/CCCCCCCC(=O)O,0
-hansen_96-34-4,COC(=O)CCl,0
-hansen_535-80-8,Clc1cccc(c1)C(=O)O,0
-hansen_106-46-7,Clc1ccc(cc1)Cl,0
-hansen_146724-31-4,OCc1cc2c([nH]1)c1ncccc1cc2,0
-hansen_23255-93-8,CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)COS(=O)(=O)C)CC,1
-hansen_153654-35-4,[O-][N+](=O)c1c(O)ccc2c1[nH]c1c2cccc1,0
-hansen_874-42-0,O=Cc1ccc(cc1Cl)Cl,0
-hansen_74339-99-4,Oc1ccc2-c3c4c(-c2c1)cc1ccccc1c4cc1c3cccc1,1
-hansen_609-65-4,ClC(=O)c1ccccc1Cl,1
-hansen_312304-87-3,ClCCCN(COC(=O)C)N=O,1
-hansen_NOCAS_M38,COc1cc(O)c2c(c1OC)oc1c(c2=O)c(OC)cc2c1[C@@H]1C=CO[C@H]1O2,1
-hansen_77784-21-5,COc1c(OC)ccc2c1cc1N(C)C(=O)C(=O)c3c1c2c1OCOc1c3,1
-hansen_56803-37-3,CC(c1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1)(C)C,0
-hansen_NOCAS_M236,BrC[C@H](Br)C,1
-hansen_4569-77-1,Nc1cc2nc3ccccc3nc2cc1O,1
-hansen_6111-78-0,Cc1cccc2c1cc1c(c2)ccc2c1cccc2,1
-hansen_34549-30-9,BrCCC(CCBr)(CO)CO,1
-hansen_76-03-9,OC(=O)C(Cl)(Cl)Cl,0
-hansen_130965-73-0,OS(=O)(=O)OCc1ccc2c3c1ccc1c3c(cc2)ccc1,1
-hansen_7473-93-0,O=C(c1ccccc1)/C=C/c1ccccc1[N+](=O)[O-],0
-hansen_2429-73-4,Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,1
-hansen_NOCAS_M563,CCCCCCCCCC[C@@H]1OC1,0
-hansen_129176-04-1,ClC1OC1CBr,1
-hansen_28804-88-8,Cc1ccc2c(c1C)cccc2,0
-hansen_119-93-7,Nc1ccc(cc1C)c1ccc(c(c1)C)N,1
-hansen_50-06-6,CCC1(C(=O)NC(=O)NC1=O)c1ccccc1,1
-hansen_5397-37-5,[O-][N+](=O)c1ccc2c(-c3ccccc3C2)c1,1
-hansen_4809-35-2,ClCC(COc1ccc(cc1)C(c1ccc(cc1)OCC(CCl)O)(C)C)O,0
-hansen_786-66-3,O=C1CCc2c1ccc1c2ccc2c1cccc2,1
-hansen_484-47-9,c1ccc(cc1)c1nc(c([nH]1)c1ccccc1)c1ccccc1,1
-hansen_111380-09-7,O=Nc1ncn(c1c1ccccc1)C,1
-hansen_95307-47-4,OC1C(=C)C2(CC31CCC1C(C3CC2)(C)CCCC1(C)C(=O)O)O,0
-hansen_18031-40-8,O=CC1=CCC(CC1)C(=C)C,0
-hansen_87-86-5,Clc1c(O)c(Cl)c(c(c1Cl)Cl)Cl,0
-hansen_139953-96-1,OCCCO/C=C/C=C/C=C/C=C/C=C/CC,1
-hansen_774-15-2,CC(Nc1snc2c1cccc2)C,0
-hansen_51410-45-8,COc1ccc(cc1)CC1OC1,1
-hansen_23590-73-0,NNc1nncc2c1nccc2,1
-hansen_91-68-9,CCN(c1cccc(c1)O)CC,1
-hansen_924-42-5,OCNC(=O)C=C,0
-hansen_125239-64-7,COc1cc2nc3cc(N)c(cc3nc2cc1N)OC,1
-hansen_98046-74-3,[O-][N+](=O)c1cnc2c(c1C)nc1n2cccc1C,1
-hansen_4291-30-9,[O-][N+](=O)c1cccc(c1O)c1ccccc1,0
-hansen_619-73-8,OCc1ccc(cc1)[N+](=O)[O-],0
-hansen_68906-23-0,O=CNc1ccc(cc1)Oc1c(Cl)cc(cc1Cl)Cl,1
-hansen_113124-69-9,COC1=CC(=O)c2c(C1=O)[nH]cc1-c2nc2c1CCCC2,1
-hansen_90147-18-5,CCCOC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],1
-hansen_1070-13-9,CCCC(=C)C=O,1
-hansen_75-31-0,CC(N)C,0
-hansen_82486-82-6,CCCCN([N+](=O)[O-])CCO[N+](=O)[O-],1
-hansen_4698-96-8,c1ccc(cc1)c1ccc(cc1)OCC1OC1,1
-hansen_1477-42-5,Nc1sc2c(n1)c(C)ccc2,0
-hansen_14625-58-2,Cc1cccc(c1)c1nc2c(o1)cccc2,0
-hansen_99601-31-7,CCn1c(N)nc2c1ccc1c2nc(cn1)C,1
-hansen_NOCAS_M108,O=c1n(C[C@@H]2OC2)c(=O)n(c(=O)n1C[C@@H]1OC1)C[C@@H]1OC1,1
-hansen_86853-91-0,O=c1c2cc3ccccc3c3c2c2c1cccc2cc3,1
-hansen_7059-24-7,COC(C1Cc2cc3cc(OC4CC(OC5CC(O)C(C(O5)C)OC)C(C(O4)C)OC(=O)C)c(c(c3c(c2C(=O)C1OC1CC(OC2CC(OC3OC(C)C(C(C3)(C)O)OC(=O)C)C(C(O2)C)O)C(C(O1)C)O)O)O)C)C(=O)C(C(O)C)O,0
-hansen_99601-33-9,CCn1c(N)nc2c1ccc1c2cccn1,1
-hansen_13838-16-9,FC(OC(C(Cl)F)(F)F)F,0
-hansen_29086-39-3,Cl/C=C(/c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl)\Cl,0
-hansen_90509-02-7,COC(=O)Nc1[nH]c2c(n1)cc(cc2)OS(=O)(=O)c1ccc(cc1)F,0
-hansen_110783-84-1,COc1cc(N)cc(c1N)OC,0
-hansen_148174-24-7,ClCCCC(=O)/N=c/1\sn(c2c1cccc2)C(=O)CCCCl,0
-hansen_594-20-7,CC(Cl)(Cl)C,0
-hansen_NOCAS_M15,CCOC(=O)[C@@H](C[C@](C(=O)O)(C[C@H](C(=O)OCC)C[C@@](C(=O)O)(CC)C)C)C[C@](C(=O)O)(C[C@@H](C(=O)OCC)C)C,1
-hansen_13014-24-9,Clc1ccc(cc1Cl)C(Cl)(Cl)Cl,1
-hansen_540-80-7,O=NOC(C)(C)C,1
-hansen_104-91-6,O=Nc1ccc(cc1)O,1
-hansen_62450-07-1,NC1=C[C@H]2[C@@H](C(=N1)C)Nc1c2cccc1,1
-hansen_2318-18-5,C/C=C/1\CC(C)C(C)(O)C(=O)OCC2=CC[N+]3(C2(C(OC1=O)CC3)O)C,1
-hansen_84-79-7,CC(=CCC1=C(O)C(=O)c2c(C1=O)cccc2)C,0
-hansen_481-73-2,OCc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)O,1
-hansen_26306-61-6,Nc1ccc(cc1)Oc1c(Cl)cc(cc1Cl)Cl,1
-hansen_132898-07-8,Cc1nc2c(nc1C)cc(c1c2nc(n1C)N)C,1
-hansen_99240-68-3,CC(=O)Nc1cc2Cc3c(-c2cc1OC(=O)c1ccccc1)cccc3,0
-hansen_26078-25-1,CCNc1cc2oc(=O)cc(c2cc1C)C,0
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-hansen_38412-38-3,OC(=O)c1cc2ccccc2c(c1O)N=Nc1ccc(c(c1)S(=O)(=O)O)C,0
-hansen_38915-49-0,NCCN(c1c2ccccc2nc2c1ccc1c2cccc1)CCCl,1
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-hansen_604-35-3,CC(CCCC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OC(=O)C)C)C,0
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-hansen_23184-66-9,CCCCOCN(c1c(CC)cccc1CC)C(=O)CCl,1
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-hansen_962-32-3,c1ccc2-c3cc4ccccc4cc3C3C(c2c1)O3,1
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-hansen_122-39-4,c1ccc(cc1)Nc1ccccc1,0
-hansen_105708-80-3,OCc1c2ccc3c(c2cc2c1cccc2)cccc3,1
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-hansen_NOCAS_M132,C[C@@H]1CNC(=O)N1c1ncc(s1)[N+](=O)[O-],1
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-hansen_56-38-2,CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OCC,0
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-hansen_64091-91-4,O=NN(CCCC(=O)c1cccnc1)C,1
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-hansen_538-75-0,C1CCC(CC1)N=C=NC1CCCCC1,0
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-hansen_220168-47-8,O=Cc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,1
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-hansen_51410-44-7,COc1ccc(cc1)C(C=C)O,0
-hansen_73391-96-5,BrCC(=O)N(Cc1ccccc1)C,0
-hansen_580-16-5,Oc1ccc2c(c1)cccn2,0
-hansen_75-15-0,S=C=S,0
-hansen_2031-67-6,CCO[Si](OCC)(OCC)C,0
-hansen_78281-06-8,O=CN(c1ccc(cc1)c1ccccc1)O,1
-hansen_480-85-3,OCC1=CCN2[C@H]1[C@H](O)CC2,0
-hansen_143603-72-9,CCOC(=O)c1[nH]c2c(c1/N=C/c1ccc(cc1)[N+](=O)[O-])cccc2,1
-hansen_111955-24-9,CC(=O)OC1C(OCC(C1OC(=O)C)OC(=O)C)Nc1ccc(cc1)C(=O)O,0
-hansen_759-73-9,CCN(C(=O)N)N=O,1
-hansen_188970-77-6,[O-][N+](=O)c1cc2[nH]c3c(c2c2c1cccc2)c1ccccc1c(c3)[N+](=O)[O-],1
-hansen_13911-90-5,Cc1cccc2c1cc1ccc3c(c1n2)cccc3,1
-hansen_55400-87-8,c1ccc2c(-c3cc4C5OC5c5c(-c4cc3C3C2O3)cccc5)c1,1
-hansen_464-10-8,BrC([N+](=O)[O-])(Br)Br,1
-hansen_68498-25-9,OCC1OC(CC1O)n1cnc2c1ncn1c2ncc1,0
-hansen_109-16-0,O=C(C(=C)C)OCCOCCOCCOC(=O)C(=C)C,0
-hansen_82617-23-0,NC(=O)OC1CO1,1
-hansen_158729-23-8,Clc1cccc(c1)NS(=O)(=O)c1cccc2c1nccc2,0
-hansen_551-92-8,[O-][N+](=O)c1cnc(n1C)C,1
-hansen_17026-81-2,CCOc1ccc(cc1N)NC(=O)C,1
-hansen_103-83-3,CN(Cc1ccccc1)C,0
-hansen_518-75-2,C[C@H]1OC=C2C(=C(C)C(=O)C(=C2O)C(=O)O)[C@@H]1C,0
-hansen_NOCAS_M441,CCCCCCCCCC/C=C/[C@H]1CC(=O)OC1=O,0
-hansen_27032-78-6,O=C1NCNC(=O)N1,1
-hansen_60-57-1,ClC1=C(Cl)[C@@]2(C([C@@]1(Cl)[C@@H]1[C@H]2[C@H]2C[C@@H]1[C@@H]1[C@H]2O1)(Cl)Cl)Cl,0
-hansen_161697-00-3,CNc1ccc2c(c1C)nc(c(n2)C)C,1
-hansen_111205-70-0,ONc1oc(c(c1c1ccccc1)c1ccccc1)C(=O)OC,0
-hansen_143924-52-1,OC1c2cc3ccccc3c3c2c2c1cccc2cc3,1
-hansen_122587-23-9,COC(=O)c1oc(c(c1Cl)Cl)N,0
-hansen_67902-33-4,C1CC2=CC3C(C=C(C1)O2)O3,0
-hansen_97869-39-1,CC[N+](=NC)[O-],0
-hansen_97534-21-9,O=C(C1C(=O)NC(=S)NC1=O)Nc1ccccc1,0
-hansen_99346-51-7,CCCNc1c(ccc(c1C(=O)O)Cl)[N+](=O)[O-],0
-hansen_217-59-4,c1ccc2c(c1)c1ccccc1c1c2cccc1,1
-hansen_74014-51-0,O=CCC1CC(C)C(O)/C=C\C=C/CC(OC(=O)CC(C(C1OC1OC(C)C(C(C1O)N(C)C)OC1OC(C)C(C(C1)(C)OC(=O)CC)OC(=O)CCC)OC)O)C,0
-hansen_98451-51-5,OCc1c(N)cccc1[N+](=O)[O-],0
-hansen_66-56-8,[O-][N+](=O)c1c(O)cccc1[N+](=O)[O-],1
-hansen_111-44-4,ClCCOCCCl,1
-hansen_64201-68-9,O=CNc1scc(n1)c1ccc(cc1)[N+](=O)[O-],1
-hansen_2381-40-0,Cc1ccc2c(c1)nc1c(c2C)ccc2c1cccc2,1
-hansen_24246-00-2,[O-][N+](=O)c1cccc2c1nsc2,1
-hansen_616-69-3,[O-][N+](=O)c1cc(C)c(c(c1)[N+](=O)[O-])C,0
-hansen_78-89-7,CC(CO)Cl,1
-hansen_111467-88-0,CC/C=C/C=C/C=C/C=C/C=C/OC,1
-hansen_91540-29-3,CCCCCN1C2C1c1ccccc1-c1c2cccc1,1
-hansen_61734-89-2,CCCCN(CCC(=O)C)N=O,1
-hansen_40568-90-9,Cc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,1
-hansen_114656-95-0,COC1=CC(=O)c2c(C1=O)c1-c(c([nH]2)C)c2c(n1)cccc2,1
-hansen_102859-52-9,[O-][N+](=O)C1=Cc2c3c1cc1cccc4c1c3c(cc2)cc4,1
-hansen_158729-32-9,ONS(=O)(=O)c1cccc2c1nccc2,0
-hansen_55256-55-8,COc1c2c(O[C@H]3[C@H]2C=CO3)cc2c1c(=O)c1c(o2)c(CCC(O)(C)C)ccc1O,1
-hansen_1758-68-5,O=C1c2ccccc2C(=O)c2c1ccc(c2N)N,1
-hansen_7247-89-4,O=NN1CCCC[C@H]1C,1
-hansen_50-65-7,Clc1ccc(c(c1)C(=O)Nc1ccc(cc1Cl)[N+](=O)[O-])O,1
-hansen_39007-51-7,OCC1OC(C(C1O)O)n1cnc2c1ncn1c2ncc1,0
-hansen_95860-07-4,ONc1cc(ccc1C)[N+](=O)[O-],0
-hansen_29385-43-1,Cc1cccc2c1nn[nH]2,0
-hansen_85060-01-1,[O-][N+](=O)C(C(O)C)C,0
-hansen_108-22-5,CC(=C)OC(=O)C,0
-hansen_103878-84-8,NCCNC(=O)c1ccc(cn1)Cl,0
-hansen_64-75-5,CN([C@@H]1C(=O)C(=C([C@@]2([C@@H]1C[C@H]1C(=C2O)C(=O)c2c([C@@]1(C)O)cccc2O)O)O)C(=O)N)C,0
-hansen_211-91-6,c1cc2C=Cc3c2c(c1)cc1c3c2ccccc2cc1,1
-hansen_28322-02-3,CC(=O)Nc1cccc2c1-c1ccccc1C2,1
-hansen_36059-21-9,Cc1c(C)c(Br)c(c(c1Br)Br)Br,0
-hansen_109143-18-2,ClCCN(c1ccc(c2c1oc(c2)[N+](=O)[O-])OC)CCCl,1
-hansen_172374-57-1,ONc1ccc(cc1)Oc1ccc(cc1)NC(=O)C,1
-hansen_19200-30-7,OCC1OC(SC(=S)N(CC)CC)C(C(C1O)O)O,0
-hansen_31335-69-0,O=CN(c1ccccc1)O,0
-hansen_1191-41-9,CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC,1
-hansen_22316-47-8,Clc1ccc2c(c1)N(C(=O)CC(=O)N2C)c1ccccc1,0
-hansen_57781-14-3,CC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2C[C@H](C2=CC(=O)C(=C[C@]12C)Br)F)F)C(=O)COC(=O)C,0
-hansen_868-77-9,CC(=C)C(=O)OCCO,0
-hansen_86247-86-1,OC(COc1cccc2c1OCC(C2)O)CNC(C)C,0
-hansen_7481-89-2,Nc1ccn(c(=O)n1)[C@@H]1CC[C@@H](O1)CO,1
-hansen_22868-29-7,Clc1cccc(c1)c1nc2c(o1)cccc2,0
-hansen_591-27-5,Nc1cccc(c1)O,1
-hansen_515-46-8,CCOS(=O)(=O)c1ccccc1,1
-hansen_6471-49-4,COc1ccc(cc1N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1cccc(c1)[N+](=O)[O-])[N+](=O)[O-],1
-hansen_163275-59-0,Fc1cc2cccnc2c2c1cccc2,1
-hansen_NOCAS_M5,N/N=C/1\N=NC=C2[C@@H]1C=CC=C2,1
-hansen_88-88-0,[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])Cl,1
-hansen_78-78-4,CCC(C)C,0
-hansen_120143-20-6,[N-]=[N+]=NCCC(C(=O)O)N,1
-hansen_53956-04-0,OC1C(OC2OC(C(=O)O)C(C(C2O)O)O)C(OC(C1O)C(=O)O)OC1CCC2(C(C1(C)C)CCC1(C2C(=O)C=C2C1(C)CCC1(C2CC(C)(CC1)C(=O)O)C)C)C,0
-hansen_162022-88-0,NNc1nncc2c1ccnc2,1
-hansen_99-65-0,[O-][N+](=O)c1cccc(c1)[N+](=O)[O-],1
-hansen_82-45-1,Nc1cccc2c1C(=O)c1ccccc1C2=O,1
-hansen_106532-76-7,[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccccc1[N+](=O)[O-])/sn2C(=O)c1ccccc1[N+](=O)[O-],1
-hansen_21466-07-9,Brc1cc(Br)c(c(c1)c1cc(Br)cc(c1O)Br)OP(=O)(O)O,0
-hansen_51787-42-9,Cc1cc(C)c2c(c1)c(C)c1c(n2)c2ccccc2cc1,1
-hansen_NOCAS_M512,CCCC[C@H](COC(=O)C(=C(c1ccccc1)c1ccccc1)C#N)CC,0
-hansen_59405-70-8,COc1ccc(cn1)N=Nc1ccc(cc1)N(C)C,1
-hansen_23702-49-0,O=c1oc2cccc3c2c2c1cccc2cc3,0
-hansen_2150-55-2,NC1=N[C@@H](CS1)C(=O)O,0
-hansen_709-49-9,[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])I,1
-hansen_115689-52-6,Nc1nc2-c3cccnc3CCc2s1,1
-hansen_2835-97-4,Nc1c(C)cccc1O,0
-hansen_92758-43-5,Nc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,1
-hansen_142741-09-1,[O-][N+](=O)c1ncc2c(c1)c1cc(cc(c1[nH]2)[N+](=O)[O-])[N+](=O)[O-],1
-hansen_112-27-6,OCCOCCOCCO,1
-hansen_1806-54-8,CCCCCCCCOP(=O)(OCCCCCCCC)OCCCCCCCC,0
-hansen_119-06-2,CCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCCCC,0
-hansen_142-78-9,CCCCCCCCCCCC(=O)NCCO,0
-hansen_514-10-3,CC(C1=CC2=CCC3C(C2CC1)(C)CCCC3(C)C(=O)O)C,0
-hansen_63104-32-5,Cc1cccc2c1c1ccc3c4c1c(c2)ccc4ccc3,1
-hansen_621-90-9,CNc1ccc(cc1)N=Nc1ccccc1,1
-hansen_155379-83-2,Nc1cc(C)c(c(c1C)[N+](=O)[O-])N,1
-hansen_150-68-5,CN(C(=O)Nc1ccc(cc1)Cl)C,0
-hansen_NOCAS_M329,[O-][N+](=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2O[N+](=O)[O-],0
-hansen_87679-37-6,CCOC(=O)C(NC(C(=O)N1C2CCCCC2CC1C(=O)O)C)CCc1ccccc1,0
-hansen_72-54-8,ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl,0
-hansen_NOCAS_M431,C1CC[C@@H](NC1)CC(C1CCCCC1)C1CCCCC1,0
-hansen_15743-13-2,ClC1=C(Cl)C(=O)C(C1=O)(Cl)Cl,0
-hansen_103124-60-3,CCOC(=O)C(=NNc1ccc(cc1Cl)c1ccc(c(c1)Cl)NN=C(C(=O)OCC)C(=O)OCC)C(=O)OCC,0
-hansen_838-95-9,CN(c1ccc(cc1)/C=C/c1ccccc1)C,1
-hansen_118430-74-3,Nc1cc(nn1C)C1CC1,1
-hansen_7085-19-0,OC(=O)[C@H](Oc1ccc(cc1C)Cl)C,0
-hansen_54897-62-0,OCCCCN(N=O)CC,1
-hansen_968-81-0,O=C(NS(=O)(=O)c1ccc(cc1)C(=O)C)NC1CCCCC1,0
-hansen_NOCAS_M203,[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c([C@H]3[C@@H]2O3)ccc1,1
-hansen_7085-85-0,CCOC(=O)C(=C)C#N,0
-hansen_33389-36-5,OCCNc1nc(nc2c1cccc2)c1ccc(s1)[N+](=O)[O-],1
-hansen_60259-80-5,Cc1ccc(cc1)NN=NCc1ccc(cc1)[N+](=O)[O-],1
-hansen_693-13-0,CC(N=C=NC(C)C)C,0
-hansen_7570-36-7,Nc1ccc(cc1)/C=C/c1ccc(cc1)Cl,1
-hansen_90-30-2,c1ccc(cc1)Nc1cccc2c1cccc2,0
-hansen_24316-91-4,N#[N+]c1nc[nH]c1C(=O)N,1
-hansen_2461-42-9,c1ccc2c(c1)c(OCC1CO1)ccc2,1
-hansen_99007-32-6,Oc1ccc2c(c1N=Nc1ccc(c(c1)S(=O)(=O)O)C)cccc2,0
-hansen_102234-07-1,O=C1NC2(C(=O)N1CCN1CC1)CCCCC2,1
-hansen_119239-63-3,OC1C2OC2c2c(C1O)ccc1c2cccn1,0
-hansen_NOCAS_M210,OC[C@@H](CCl)O,1
-hansen_18296-44-1,CC(=O)OCC1=CO[C@H]([C@H]2C1=C[C@@H]([C@]12OC1)OC(=O)CC(C)C)OC(=O)CC(C)C,1
-hansen_13608-87-2,CC(=O)c1ccc(c(c1Cl)Cl)Cl,1
-hansen_1622-57-7,Cn1c(N)nc2c1cccc2,1
-hansen_26676-89-1,OC1COC2(C1OC(=O)C2(O)Cc1c[nH]c2c1cccc2)O,0
-hansen_201-06-9,c1ccc2c(c1)cc1c3c2cccc3C=C1,1
-hansen_120-57-0,O=Cc1ccc2c(c1)OCO2,0
-hansen_23740-25-2,COc1ccc2-c3c4OCOc4cc4c3c(C(=O)c2c1)ncc4,1
-hansen_59405-62-8,CC(=O)Nc1cc(ccc1N=Nc1cccnc1)N(C)C,0
-hansen_1172-18-5,CCN(CCN1C(=O)CN=C(c2c1ccc(c2)Cl)c1ccccc1F)CC,0
-hansen_17696-11-6,BrCCCCCCCC(=O)O,1
-hansen_448-97-5,Nc1ccc(cc1F)c1ccc(c(c1)F)N,1
-hansen_133-18-6,O=C(c1ccccc1N)OCCc1ccccc1,0
-hansen_17418-58-5,Nc1c(Oc2ccccc2)cc(c2c1C(=O)c1ccccc1C2=O)O,1
-hansen_3118-97-6,Cc1ccc(c(c1)C)N=Nc1c(O)ccc2c1cccc2,1
-hansen_21247-98-3,OCc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,1
-hansen_98601-00-4,OC1C=Cc2c(C1O)cc1c(c2)c2ccccc2cc1C,1
-hansen_4559-64-2,Clc1ccc2c(c1)nc1c(n2)cc(c(c1)N)N,1
-hansen_14047-09-7,Clc1ccc(cc1Cl)N=Nc1ccc(c(c1)Cl)Cl,0
-hansen_148193-31-1,Nc1cccc2c1snc2Cl,1
-hansen_5234-06-0,c1ccc2c(c1)cc(cc2)OCC1CO1,1
-hansen_23834-30-2,O=NN(CCN(C)C)C,1
-hansen_2851-80-1,Cc1ccc2-c3c(Cc2c1)cc(cc3)C,0
-hansen_93-58-3,COC(=O)c1ccccc1,0
-hansen_98736-48-2,O=NN(Cc1cccc(c1)C(F)(F)F)C,1
-hansen_6334-18-5,O=Cc1cccc(c1Cl)Cl,0
-hansen_150-69-6,CCOc1ccc(cc1)NC(=O)N,0
-hansen_22996-17-4,OCc1ccc(cc1[N+](=O)[O-])N,1
-hansen_53950-62-2,O=CN(c1ccc(c(c1)Cl)Cl)O,0
-hansen_4403-90-1,Cc1ccc(c(c1)S(=O)(=O)O)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)N,1
-hansen_1732-29-2,Oc1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],1
-hansen_96301-34-7,O=C1C=C(C)C2(C(=C1)CCC1C2CCC2(C1CCC2=O)C)C,0
-hansen_133762-83-1,N#N=NCC(Cn1cnc2c1ncnc2Cl)O,1
-hansen_128-66-5,O=C1c2ccccc2-c2c3c1ccc1-c4ccccc4C(=O)c(c31)cc2,0
-hansen_160543-08-8,OCc1ccc2c(c1)nc1c(c2C)ccc2c1cccc2,1
-hansen_133591-38-5,[O-][N+](=O)c1ccc2c(c1)c1c(C)ccc(c1[nH]2)C,1
-hansen_155164-68-4,COc1ccc(cc1)C(=O)n1ncc(c(c1=O)Cl)Cl,0
-hansen_69140-51-8,CCC1OC1c1ccccc1,0
-hansen_101-73-5,CC(Oc1ccc(cc1)Nc1ccccc1)C,0
-hansen_111070-55-4,[O-][N+](=O)c1ccc(o1)/C=N/n1cccn1,1
-hansen_NOCAS_M163,O=C1CC[C@@H]2c3c1c(O)ccc3-c1c3[C@@]2(O)[C@H](O)CC(=O)c3c(cc1)O,1
-hansen_107673-63-2,[O-][N+](=O)C1=Cc2c3c1cccc3cc1c2ccc2c1cccc2,1
-hansen_102-32-9,OC(=O)Cc1ccc(c(c1)O)O,1
-hansen_1499-54-3,ONC(=O)CNC(=O)c1ccccc1,1
-hansen_6792-33-2,FC(=C(F)F)Cl,0
-hansen_NOCAS_M567,CN1[C@@H](CSCC(F)(F)F)Nc2c(S1(=O)=O)cc(c(c2)Cl)S(=O)(=O)N,0
-hansen_91828-72-7,O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc([N+](=O)[O-])c2c1cccc2,1
-hansen_103-34-4,O1CCN(CC1)SSN1CCOCC1,0
-hansen_14385-22-9,CC(C(=O)N(c1ccc(cc1)Cl)O)C,1
-hansen_58139-47-2,OCCN(c1nc(nc2c1cccc2)c1cccs1)CCO,0
-hansen_148317-76-4,OCCNCCn1c2-c3ccccc3C(=O)c2c2c(c1=O)cccc2,0
-hansen_999-29-1,CCOC(=O)CNC(=O)C=[N+]=[N-],1
-hansen_3366-65-2,Nc1ccc2c(c1)ccc1c2cccc1,1
-hansen_2386-90-5,C1C[C@H]2[C@@H]([C@H]1O[C@H]1CC[C@H]3[C@@H]1O3)O2,0
-hansen_139-59-3,Nc1ccc(cc1)Oc1ccccc1,1
-hansen_7209-38-3,NCCCN1CCN(CC1)CCCN,0
-hansen_687-48-9,CCOC(=O)N(C)C,1
-hansen_554-14-3,Cc1cccs1,0
-hansen_10026-04-7,Cl[Si](Cl)(Cl)Cl,0
-hansen_67-56-1,CO,0
-hansen_320-51-4,Nc1ccc(c(c1)C(F)(F)F)Cl,0
-hansen_115-07-1,CC=C,1
-hansen_5343-65-7,BrCC(=O)Nc1ccc(cc1)C,0
-hansen_1951-56-0,CC(NC(=O)/C=C\c1ccc(o1)[N+](=O)[O-])C,1
-hansen_142713-65-3,COc1cc(CNC(=O)C(Br)C)ccc1OC,1
-hansen_93673-39-3,Oc1cccc2c1ccc1c2cc2c3c1C=Cc3ccc2,1
-hansen_108342-09-2,[N-]=[N+]=NC[C@H](C(=O)O)N,1
-hansen_78859-43-5,CC(=C/C(=N/Nc1nncc2c1cccc2)/C)C,1
-hansen_58337-49-8,CC(=O)NC(C(=O)O)CSCCCl,1
-hansen_22506-53-2,[O-][N+](=O)c1ccc2-c3c4c(-c2c1)ccc(c4ccc3)[N+](=O)[O-],1
-hansen_4568-28-9,CCCCCCCCCCCCCCCCCC(=O)O,0
-hansen_100-32-3,[O-][N+](=O)c1ccc(cc1)SSc1ccc(cc1)[N+](=O)[O-],1
-hansen_3208-16-0,CCc1ccco1,0
-hansen_111959-96-7,Cl/C(=C(\C(=C(Cl)Cl)Cl)/Cl)/SCc1ccccc1,1
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diff --git a/data/hansen.id b/data/hansen.id
index 8bceb7c..61359af 100644
--- a/data/hansen.id
+++ b/data/hansen.id
@@ -1 +1 @@
-5bb8ac01ca626902c18e22cd
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diff --git a/data/kazius.csv b/data/kazius.csv
deleted file mode 100644
index 3aeab49..0000000
--- a/data/kazius.csv
+++ /dev/null
@@ -1,4337 +0,0 @@
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-kazius_77996-03-3,Oc1cc2O[C@@H](Cc2c2c1c(=O)c1c(n2C)cccc1)[C@@]1(C)CO1,1
-kazius_123-01-3,CCCCCCCCCCCCc1ccccc1,0
-kazius_53478-38-9,CS(=O)(=O)Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,1
-kazius_1836-75-5,Clc1ccc(c(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-],1
-kazius_329-71-5,[O-][N+](=O)c1ccc(c(c1)O)[N+](=O)[O-],1
-kazius_108-64-5,CCOC(=O)CC(C)C,0
-kazius_146177-59-5,Cc1c(C)c2nccnc2c2c1n(C)c(n2)N,1
-kazius_106264-79-3,CSc1cc(SC)c(c(c1N)C)N,1
-kazius_88488-97-5,Oc1ccc2c(c1)c1ccccc1c1c2cc2ccccc2c1,1
-kazius_61203-01-8,BrC(=C)C(=O)C,1
-kazius_112-24-3,NCCNCCNCCN,1
-kazius_2849-98-1,CCCCCOC(=O)C(=C)C,0
-kazius_16423-19-1,C[C@H]1CCC[C@@]2([C@]1(O)CCCC2)C,0
-kazius_97-90-5,O=C(C(=C)C)OCCOC(=O)C(=C)C,0
-kazius_50438-75-0,OCCc1ccc(cc1)N(C)C,1
-kazius_126983-60-6,COC1=CC(=O)c2c(C1=O)ncc1c2[nH]c2c1cncc2,1
-kazius_89-98-5,O=Cc1ccccc1Cl,0
-kazius_82-62-2,[O-][N+](=O)c1c(O)c(Cl)cc(c1Cl)Cl,0
-kazius_97606-15-0,N1[C@@H]2[C@H]1c1cscc1-c1c2csc1,1
-kazius_91-53-2,CCOc1ccc2c(c1)C(=CC(N2)(C)C)C,0
-kazius_117-81-7,CCCC[C@H](COC(=O)c1ccccc1C(=O)OC[C@@H](CCCC)CC)CC,0
-kazius_1928-43-4,CCCC[C@H](COC(=O)COc1ccc(cc1Cl)Cl)CC,0
-kazius_129927-33-9,CCN(CC#CC(OC(=O)[C@@](c1ccccc1)(C1CCCCC1)O)(C)C)CC.Cl.O,0
-kazius_4513-36-4,C=CC(=O)OCC(C)(C)C,0
-kazius_507-55-1,F[C@H](C(C(Cl)(F)F)(F)F)Cl,0
-kazius_5042-54-6,Nc1cc(N)c(cc1/N=N/c1ccccc1)C,1
-kazius_396-01-0,Nc1nc(N)c2c(n1)nc(c(n2)c1ccccc1)N,0
-kazius_120-61-6,COC(=O)c1ccc(cc1)C(=O)OC,0
-kazius_952-23-8,Nc1ccc2c(c1)nc1c(c2)ccc(c1)N.Cl,1
-kazius_3807-77-0,[O-][N+](=O)c1ccc2c3c1CCc3ccc2,1
-kazius_612-59-9,Clc1cnc2c(c1)cccc2,0
-kazius_13675-34-8,O=C(C(=C)C)OCCCCCOC(=O)C(=C)C,0
-kazius_71628-96-1,CO[C@@H]1C[C@](C)(O)Cc2c1c(O)c1c(c2)C(=O)c2c(C1=O)c(O)cc1c2O[C@@H]2O[C@@]1(C)[C@@H]([C@H]([C@H]2O)N(C)C)O,1
-kazius_4629-58-7,Nc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],1
-kazius_142438-73-1,COC(=O)[C@@]1(O[C@@]1(C)[C@@H](C(C)C)O)C(=O)N,1
-kazius_500-38-9,C[C@@H]([C@@H](Cc1ccc(c(c1)O)O)C)Cc1ccc(c(c1)O)O,0
-kazius_97-24-5,Oc1ccc(cc1Sc1cc(Cl)ccc1O)Cl,0
-kazius_5634-39-9,OC[C@@H]1CO[C@H](O1)[C@@H](I)C,1
-kazius_93-68-5,O=C(Nc1ccccc1C)CC(=O)C,0
-kazius_109-99-9,C1CCCO1,0
-kazius_88133-11-3,CCOCCc1c(nc(n2c1ncn2)N)c1ccccc1,0
-kazius_103942-97-8,CN(CCNC(=O)c1cccc2c1nc1ccccc1n2)C,1
-kazius_60-23-1,NCCS,0
-kazius_119169-78-7,OC(=O)C1=CC2=CC[C@@H]3[C@@H]([C@]2(CC1)C)CC[C@]1([C@H]3CC[C@H]1C(=O)NC(C)(C)C)C,0
-kazius_92-88-6,Oc1ccc(cc1)c1ccc(cc1)O,0
-kazius_5742-19-8,OC(=O)COc1ccc(cc1Cl)Cl.OCCNCCO,0
-kazius_106-38-7,Cc1ccc(cc1)Br,0
-kazius_4985-70-0,Clc1cccc2c1cc1ccccc1c2,0
-kazius_482-27-9,COc1c2ccc(=O)oc2c(c2c1cco2)OC,0
-kazius_86-73-7,c1ccc2-c3c(Cc2c1)cccc3,0
-kazius_17924-92-4,C[C@H]1CCCC(=O)CCC/C=C/c2c(C(=O)O1)c(O)cc(c2)O,0
-kazius_95-64-7,Nc1ccc(c(c1)C)C,1
-kazius_6382-01-0,OC(=O)CC[C@@H](C(=O)O)N.[K+].O,0
-kazius_21655-84-5,Cc1nccc2c1[nH]c1c2cccc1.Cl,1
-kazius_67587-52-4,O=NN1CCO[C@H](C1)O,1
-kazius_610-14-0,[O-][N+](=O)c1ccccc1C(=O)Cl,1
-kazius_17341-40-1,C[C@H](C[N+](NC(=O)C(=C)C)(C)C)O,0
-kazius_105-58-8,CCOC(=O)OCC,0
-kazius_100757-60-6,ClCc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0
-kazius_16069-36-6,O1CCO[C@@H]2CCCC[C@H]2OCCOCCO[C@H]2[C@H](OCC1)CCCC2,0
-kazius_140-08-9,ClCCOP(OCCCl)OCCCl,1
-kazius_6066-82-6,ON1C(=O)CCC1=O,0
-kazius_10605-21-7,COC(=O)Nc1nc2c([nH]1)cccc2,1
-kazius_68743-68-0,CCOC(=O)N(CCCC(=O)c1cccnc1)N=O,1
-kazius_505-29-3,S1CCSCC1,1
-kazius_135-68-2,Nc1ccc(cc1)c1ccc(cc1)Cl,1
-kazius_484-23-1,NNc1nnc(c2c1cccc2)NN,1
-kazius_114460-39-8,Oc1ccc2c(c1)c1c(cc2)ccc2c1n(C)c(n2)C,1
-kazius_104-78-9,NCCCN(CC)CC,0
-kazius_39720-27-9,ClCc1ccc(cc1)OC(=O)C,1
-kazius_6149-33-3,Nc1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-],1
-kazius_123-92-2,CC(CCOC(=O)C)C,0
-kazius_36712-34-2,[O-][N+](=O)c1cc(ccc1c1ccc(cc1)[N+](=O)[O-])[N+](=O)[O-],1
-kazius_54827-17-7,Cc1cc(cc(c1N)C)c1cc(C)c(c(c1)C)N,0
-kazius_91-23-6,COc1ccccc1[N+](=O)[O-],1
-kazius_218-19-9,c1ccc2c(c1)c1ccc3c(c1cc2)nccc3,1
-kazius_111-14-8,CCCCCCC(=O)O,0
-kazius_115664-50-1,Oc1ccc2c3c1ccc1c3c(c3c2cccc3)c(cc1)[N+](=O)[O-],1
-kazius_6449-35-0,COc1cc(ccc1/N=N/c1c(O)c2ccc(cc2cc1S(=O)(=O)O)N)c1ccc(c(c1)OC)/N=N/c1cc(c2c(c1O)cccc2)S(=O)(=O)O,1
-kazius_88-88-0,[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])Cl,1
-kazius_68140-48-7,CC([C@H]1c2cc(C(=O)C)c(cc2C([C@@H]1C)(C)C)C)C,0
-kazius_77-92-9,OC(=O)C(CC(=O)O)(CC(=O)O)O,0
-kazius_51640-90-5,[O-][N+](=O)c1cccc2c1oc(=O)c1c2cccc1,1
-kazius_75-11-6,ICI,0
-kazius_568-75-2,OCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,1
-kazius_2541-69-7,Cc1c2ccc3c(c2cc2c1cccc2)cccc3,1
-kazius_4450-68-4,Cc1ccc(cc1)S(=O)(=O)OCc1ccc(cc1)[N+](=O)[O-],1
-kazius_5000-65-7,BrCC(=O)c1cccc(c1)OC,0
-kazius_77121-90-5,CO[C@H]1[C@@H](N)C[C@@H](O[C@H]1C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)CO,1
-kazius_138580-48-0,CN1CCN(CC1)C1=CC(=O)c2c(C1=O)c1[nH]c3c(c1c(n2)C)cccc3,1
-kazius_6268-09-3,O=C1c2ccccc2C(=O)c2c1ccc(c2O)C,1
-kazius_96563-10-9,Fc1ccc2-c3c(C(c2c1)C)cc(cc3)F,1
-kazius_2508-20-5,O=Nc1ccc2-c3c(Cc2c1)cccc3,1
-kazius_100-37-8,OCCN(CC)CC,0
-kazius_4825-86-9,C[C@H]1OC(=O)c2c(C1)ccc(c2O)C(=O)N[C@H](C(=O)O)Cc1ccccc1,0
-kazius_1436-34-6,CCCC[C@H]1CO1,0
-kazius_105579-74-6,O=C1[C@@H]2O[C@@H]2[C@@H]2c3c1c1=C(O)C=C[C@H]4c1c(c3=C(C=C2)O)C(=O)[C@H]1[C@@H]4O1,1
-kazius_96-99-1,[O-][N+](=O)c1cc(ccc1Cl)C(=O)O,1
-kazius_74-31-7,c1ccc(cc1)Nc1ccc(cc1)Nc1ccccc1,1
-kazius_142044-37-9,C[n+]1cccc2c1C=C[C@@H]1[C@H]2O1,1
-kazius_462-95-3,CCOCOCC,0
-kazius_615-05-4,COc1ccc(cc1N)N,1
-kazius_868-77-9,CC(=C)C(=O)OCCO,0
-kazius_491-80-5,COc1ccc(cc1)c1coc2c(c1=O)c(O)cc(c2)O,0
-kazius_82389-38-6,CC(=O)Nc1ccc(cc1)C(=O)[C@@H]1O[C@H]1c1ccccc1,1
-kazius_134-03-2,OC[C@@H]([C@H]1OC(=O)C(=C1O)O)O.[Na+],0
-kazius_99-75-2,COC(=O)c1ccc(cc1)C,0
-kazius_108-70-3,Clc1cc(Cl)cc(c1)Cl,0
-kazius_146177-65-3,Cc1cc2c(c3c1nc(cn3)c1ccccc1)nc(n2C)N,1
-kazius_57-13-6,NC(=O)N,0
-kazius_29916-56-1,[O-][N+](=C1CCCC1)[O-],1
-kazius_109-69-3,CCCCCl,0
-kazius_109143-20-6,ClCCN(c1ccc(c2c1cc(o2)[N+](=O)[O-])OC)CCCl,1
-kazius_98-95-3,[O-][N+](=O)c1ccccc1,0
-kazius_125239-64-7,COc1cc2nc3cc(N)c(cc3nc2cc1N)OC,1
-kazius_156215-58-6,Cn1c(N)nc2c1cc1ccccc1n2,1
-kazius_83-67-0,Cn1cnc2c1c(=O)[nH]c(=O)n2C,0
-kazius_59703-84-3,CCN1CCN(C(=O)C1=O)C(=O)N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)c1ccccc1.[Na+],0
-kazius_108-89-4,Cc1ccncc1,0
-kazius_93780-96-2,O[C@H]1[C@H](O)[C@@H]2O[C@@H]2c2c1ccc1c2nc2c(c1)ccc1c2cccc1,1
-kazius_830-96-6,OC(=O)CCc1c[nH]c2c1cccc2,0
-kazius_578-06-3,Nc1cccc2c1cc1ccccc1n2,1
-kazius_42200-33-9,O[C@@H](COc1cccc2c1C[C@H](O)[C@@H](C2)O)CNC(C)(C)C,0
-kazius_484-78-6,OC(=O)[C@H](CC(=O)c1cccc(c1N)O)N,0
-kazius_590-88-5,NCC[C@H](N)C,0
-kazius_117929-13-2,[O-][N+](=O)c1cc2CCc3c4-c2c(c1)CCc4cc(c3)[N+](=O)[O-],1
-kazius_1953-02-2,C[C@H](C(=O)NCC(=O)O)S,0
-kazius_3442-62-4,[O-][N+](=O)c1ccc2c(c1)nc1c(n2)cccc1,1
-kazius_2012-00-2,CCO[P@@](=O)(c1ccccc1)Oc1ccc(cc1)[N+](=O)[O-],1
-kazius_102822-04-8,O=c1c2ccc(c3c2c2c(c1=O)cccc2cc3)[N+](=O)[O-],1
-kazius_10147-37-2,CC(S(=O)(=O)Cl)C,1
-kazius_111-69-3,N#CCCCCC#N,0
-kazius_62450-07-1,Nc1nc(C)c2c(c1)[nH]c1c2cccc1,1
-kazius_33037-07-9,ClC[C@@H](CBr)Cl,1
-kazius_161697-03-6,Cc1nc2c(nc1C)ccc(c2C)N,1
-kazius_15299-08-8,Cc1ccc2-c3c4c(-c2c1)cc1ccccc1c4cc1c3cccc1,1
-kazius_5466-77-3,CCCC[C@H](COC(=O)/C=C/c1ccc(cc1)OC)CC,0
-kazius_4098-71-9,O=C=NC[C@@]1(C)C[C@H](N=C=O)CC(C1)(C)C,0
-kazius_99-09-2,Nc1cccc(c1)[N+](=O)[O-],1
-kazius_5470-37-1,OC(=O)[C@H]1N[C@@H](C)c2c(C1)c1ccccc1[nH]2,0
-kazius_41533-75-9,[O-][N+](=O)c1cccc2c1snc2Cl,1
-kazius_110419-21-1,[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1-c1ccccc1-c3ccc2,1
-kazius_133831-60-4,ClC(=C(SSc1ccccc1[N+](=O)[O-])Cl)Cl,1
-kazius_13593-03-8,CCOP(=S)(Oc1cnc2c(n1)cccc2)OCC,0
-kazius_78-42-2,CCCC[C@H](COP(=O)(OC[C@@H](CCCC)CC)OC[C@@H](CCCC)CC)CC,0
-kazius_6884-87-3,CNS(=O)(=O)c1ccc(cc1)NC(=O)C,0
-kazius_116374-65-3,CN(CCCNc1c2ccccc2nc2c1c(ccc2Cl)[N+](=O)[O-])C,1
-kazius_113698-18-3,COC1=CC(=O)c2c(C1=O)nc(c1c2[nH]c2c1CCCC2)C,1
-kazius_123-73-9,C/C=C/C=O,1
-kazius_3930-19-6,COC1=C(N)C(=O)c2c(C1=O)ccc(n2)c1nc(C(=O)O)c(c(c1N)c1ccc(c(c1O)OC)OC)C,1
-kazius_4430-25-5,Oc1c(Br)cc(cc1Br)C1(OS(=O)(=O)c2c1c(Br)c(Br)c(c2Br)Br)c1cc(Br)c(c(c1)Br)O,0
-kazius_609-19-8,Oc1cc(Cl)c(c(c1)Cl)Cl,0
-kazius_75586-69-5,Nc1ccc2c(c1)cc1c([n+]2C)cccc1.Cl,1
-kazius_69177-41-9,CCCCNCCCNCCCNC(=O)c1csc(n1)c1csc(n1)CCNC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H]([C@@H]([C@H](NC(=O)[C@H]([C@H](c1nc[nH]c1)O[C@@H]1O[C@@H](CO)[C@@H]([C@@H]([C@@H]1O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O)O)O)NC(=O)c1nc(nc(c1C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C)O)C,1
-kazius_4792-83-0,CCOc1ccc(cc1)/N=[N+](/c1ccc(cc1)OCC)\[O-],0
-kazius_116505-02-3,CC(=O)N(c1ccc(cc1)Sc1ccccc1)OC(=O)C,1
-kazius_96910-73-5,O=CC1=C[C@]2(O)CC(C[C@@H]2[C@H](C=C1C=O)C)(C)C,1
-kazius_92-94-4,c1ccc(cc1)c1ccc(cc1)c1ccccc1,0
-kazius_50-32-8,c1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,1
-kazius_90-13-1,Clc1cccc2c1cccc2,1
-kazius_212-54-4,c1ccc2c(-c3ccc4c(c3C2)c2ccccc2cc4)c1,1
-kazius_26530-20-1,CCCCCCCCn1sccc1=O,0
-kazius_321-14-2,Clc1ccc(c(c1)C(=O)O)O,0
-kazius_95-70-5,Nc1ccc(c(c1)C)N,1
-kazius_3397-62-4,Nc1nc(N)nc(n1)Cl,0
-kazius_6358-53-8,COc1ccc(c(c1)/N=N/c1c(O)ccc2c1cccc2)OC,1
-kazius_607-59-0,CN(c1ccc(cc1)/N=N/c1cccc2c1cccc2)C,1
-kazius_96-69-5,CC(c1cc(Sc2cc(c(cc2C)O)C(C)(C)C)c(cc1O)C)(C)C,0
-kazius_512-56-1,COP(=O)(OC)OC,1
-kazius_525-03-1,NC1c2ccccc2-c2c1cccc2,0
-kazius_598-55-0,COC(=O)N,0
-kazius_17902-23-7,O=c1[nH]c(=O)n(cc1F)[C@H]1CCCO1,0
-kazius_132-98-9,O=C(N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)COc1ccccc1.[K+],0
-kazius_3018-12-0,ClC(C#N)Cl,1
-kazius_32692-19-6,[O-][N+](=O)c1ccc2c(c1)CCN2,1
-kazius_146795-37-1,O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1F,1
-kazius_8003-03-0,OC[C@H]1O[C@H]([C@@H]([C@@H]1O[P@@](=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(nc1=O)N)O)O)n1cnc2c1ncnc2N,0
-kazius_104445-28-5,OCC1(CO)CO[C@H](N1)c1ncc(n1C)[N+](=O)[O-],1
-kazius_637-69-4,COc1ccc(cc1)C=C,0
-kazius_106063-42-7,COc1cc(O)ccc1Nc1c2ccccc2nc2c1cccc2,1
-kazius_93-08-3,CC(=O)c1ccc2c(c1)cccc2,0
-kazius_119-36-8,COC(=O)c1ccccc1O,1
-kazius_15131-84-7,c1ccc2-c3ccc4c(c3[C@@H]3[C@H](c2c1)O3)cccc4,1
-kazius_610-39-9,Cc1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-],1
-kazius_112575-91-4,O=C1C=C2c3c(C1=O)cccc3-c1c2cc2ccccc2c1,1
-kazius_111712-47-1,Br[C@H]([C@H](Br)C)CO[P@](=O)(OC[C@@H]([C@H](Br)C)Br)OC[C@@H]([C@H](Br)C)Br,1
-kazius_106449-56-3,OC[C@H]1O[C@H](C(=O)[C@@H]1O)n1cnc2=C(NCN=c12)N,0
-kazius_1672-88-4,O=C1NC(=O)N(C1)/N=C/C=C/c1ccc(o1)[N+](=O)[O-],1
-kazius_105650-23-5,Cn1c(N)nc2c1cc(cn2)c1ccccc1,1
-kazius_479-13-0,Oc1ccc2c(c1)oc(=O)c1c2oc2c1ccc(c2)O,0
-kazius_14925-39-4,BrC(=C)C=O,1
-kazius_27113-22-0,CCCCCCCC(=O)CCc1ccc(c(c1)OC)O,0
-kazius_118-56-9,C[C@H]1C[C@@H](OC(=O)c2ccccc2O)CC(C1)(C)C,0
-kazius_111-20-6,OC(=O)CCCCCCCCC(=O)O,0
-kazius_89784-39-4,CC(=O)N[C@H](C(=O)O)CS/C(=C(/C(=C(Cl)Cl)Cl)\Cl)/Cl,1
-kazius_22608-53-3,COP(=O)(SC)SC,0
-kazius_617-48-1,OC(=O)C[C@H](C(=O)O)O,0
-kazius_2397-76-4,CC(=C)C(=O)OCC(C)(C)C,0
-kazius_13707-88-5,C=CCc1ccccc1OC[C@@H](CNC(C)C)O,0
-kazius_602-38-0,[O-][N+](=O)c1cccc2c1c(ccc2)[N+](=O)[O-],1
-kazius_33089-36-0,O1CCOCCOCCOCCOCCOCCOCC1,0
-kazius_100-43-6,C=Cc1ccncc1,0
-kazius_299-88-7,O=C(Cc1cnc(nc1N)C)N/C(=C(/SC(=O)c1ccccc1)\CCOC(=O)c1ccccc1)/C.Cl,0
-kazius_61740-00-9,COc1cc2O[C@@H]3[C@H](c2c2c1c1CC[C@@H](c1c(=O)o2)O)C=CO3,1
-kazius_1928-38-7,COC(=O)COc1ccc(cc1Cl)Cl,0
-kazius_85-33-6,O=Cc1ccc2-c1cc(ccc2C)C(=C)C,1
-kazius_75-36-5,CC(=O)Cl,0
-kazius_621-52-3,CCOc1cccc(c1)[N+](=O)[O-],0
-kazius_693-98-1,Cc1ncc[nH]1,0
-kazius_67730-11-4,Nc1ccc2c(n1)n1cccc(c1n2)C,1
-kazius_565-20-8,CC(=O)Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N,0
-kazius_15088-70-7,CCOC(=O)CNC(=O)CBr,0
-kazius_371-47-1,OC(=O)/C=C\C(=O)O.[Na+].[Na+],0
-kazius_24496-65-9,c1ccc2c(c1)cc1c3c2cnc2c3c(cc1)ccc2,1
-kazius_346-18-9,CN1[C@@H](CSCC(F)(F)F)Nc2c(S1(=O)=O)cc(c(c2)Cl)S(=O)(=O)N,0
-kazius_1761-71-3,N[C@@H]1CC[C@H](CC1)C[C@@H]1CC[C@H](CC1)N,0
-kazius_110-59-8,CCCCC#N,0
-kazius_68162-37-8,COC(=O)/C(=C\c1ccc(o1)[N+](=O)[O-])/[N+](=O)[O-],1
-kazius_6257-64-3,CN(c1ccc(cc1)/N=N/c1ccc(cc1)N(C)C)C,0
-kazius_103393-72-2,ClCc1ccc2-c3c4c(-c2c1)cccc4ccc3,1
-kazius_97-00-7,[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])Cl,1
-kazius_57309-27-0,ON1c2ccccc2C(=O)[C@@]1(C)c1ccccc1,0
-kazius_836-37-3,[O-][N+](=O)c1ccc(o1)/C=C(/C(=O)OC)\C#N,1
-kazius_123-32-0,Cc1ncc(nc1)C,0
-kazius_64188-64-3,c1ccc(cc1)CN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,1
-kazius_29590-42-9,C=CC(=O)OCCCCCC(C)C,0
-kazius_118-92-3,OC(=O)c1ccccc1N,0
-kazius_61788-44-1,Oc1ccccc1,0
-kazius_114454-59-0,O[C@H]1[C@H](O)c2ccc(c3c2c2c1cccc2c1c3cccc1)[N+](=O)[O-],1
-kazius_51325-91-8,N#CC(=C1C=C(/C=C/c2ccc(cc2)N(C)C)OC(=C1)C)C#N,1
-kazius_2426-08-6,CCCCOC[C@H]1CO1,1
-kazius_603-54-3,NC(=O)N(c1ccccc1)c1ccccc1,0
-kazius_555-68-0,OC(=O)/C=C/c1cccc(c1)[N+](=O)[O-],1
-kazius_112-55-0,CCCCCCCCCCCCS,0
-kazius_693-13-0,CC(N=C=NC(C)C)C,0
-kazius_127-07-1,NC(=O)NO,1
-kazius_503-09-3,FC[C@H]1CO1,1
-kazius_27946-19-6,Cl[C@@H](c1ccccc1)C(=O)NCc1ccccc1,1
-kazius_2226-96-2,OC1CC(C)(C)N(C(C1)(C)C)O,1
-kazius_54818-87-0,CC(=O)Nc1ccc(cc1)Sc1ccccc1,1
-kazius_6358-23-2,[O-][N+](=O)c1cc(ccc1Nc1ccccc1O)[N+](=O)[O-],1
-kazius_80115-73-7,CCC(=O)N(c1ccc(cc1)c1ccccc1)O,1
-kazius_501-30-4,OCc1occ(c(=O)c1)O,1
-kazius_2224-15-9,O(C[C@@H]1OC1)CCOC[C@@H]1OC1,1
-kazius_91-84-9,COc1ccc(cc1)CN(c1ccccn1)CCN(C)C,0
-kazius_126-27-2,OCCN(CC(=O)N(C(Cc1ccccc1)(C)C)C)CC(=O)N(C(Cc1ccccc1)(C)C)C,0
-kazius_151-56-4,N1CC1,1
-kazius_1522-92-5,OCC(CBr)(CBr)CBr,1
-kazius_2921-88-2,CCOP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OCC,0
-kazius_108-10-1,CC(CC(=O)C)C,0
-kazius_52898-98-3,CCCCCCCCCCCCCCCCCC(=O)OCC1=CC=C2C1=C[C@@H](CC=C2C)C(=C)C,1
-kazius_139953-77-8,OC(=O)c1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,1
-kazius_21229-99-2,ONc1ccc(cc1)Sc1ccccc1,1
-kazius_104-54-1,OC/C=C/c1ccccc1,0
-kazius_626-43-7,Nc1cc(Cl)cc(c1)Cl,0
-kazius_73341-53-4,ONc1ccc2c(n1)n1cccc(c1n2)C,1
-kazius_129-03-3,CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1,0
-kazius_119-06-2,CCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCCCC,0
-kazius_109-09-1,Clc1ccccn1,1
-kazius_396-32-7,Fc1ccc2c(c1)nccc2,1
-kazius_150-76-5,COc1ccc(cc1)O,0
-kazius_58-54-8,CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)O,0
-kazius_112022-06-7,CN(CCNC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)C,1
-kazius_67-71-0,CS(=O)(=O)C,0
-kazius_78-67-1,N#CC(/N=N/C(C#N)(C)C)(C)C,0
-kazius_2562-38-1,[O-][N+](=O)C1CCCC1,1
-kazius_106-50-3,Nc1ccc(cc1)N,1
-kazius_159092-71-4,[O-][N+](=O)c1cc2ccccc2c2c1cc(cc2)[N+](=O)[O-],1
-kazius_33611-88-0,[O-][N+](=O)c1c(cc2c3c1-c1ccccc1-c3ccc2)[N+](=O)[O-],1
-kazius_137-40-6,CCC(=O)O.[Na+],0
-kazius_100-13-0,C=Cc1ccc(cc1)[N+](=O)[O-],1
-kazius_1116-40-1,CC(CN(CC(C)C)CC(C)C)C,0
-kazius_5907-38-0,CN(c1c(C)n(n(c1=O)c1ccccc1)C)CS(=O)(=O)O.[Na+].O,1
-kazius_87-84-3,Br[C@H]1[C@H](Cl)[C@H](Br)[C@@H]([C@H]([C@H]1Br)Br)Br,0
-kazius_132335-20-7,c1ccc2-c3c([C@@H]4[C@H](c2c1)N4)c1ccccc1c1c3cccc1,1
-kazius_3688-53-7,NC(=O)/C(=C\c1ccc(o1)[N+](=O)[O-])/c1ccco1,1
-kazius_548-83-4,Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccccc1,0
-kazius_148193-30-0,Nc1ccc2c(c1)c(Cl)ns2,1
-kazius_96839-34-8,OCc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],0
-kazius_60-33-3,CCCCC/C=C/C/C=C/CCCCCCCC(=O)O,0
-kazius_129176-05-2,Cl[C@H]1O[C@H]1CBr,1
-kazius_116-66-5,[O-][N+](=O)c1c(C)c(cc2c1C(C)(C)CC2(C)C)[N+](=O)[O-],0
-kazius_502-65-8,C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C=C(\CCC=C(C)C)/C)/C)/C)/C=C/C=C(/C=C/C=C(/CCC=C(C)C)\C)\C,0
-kazius_578-67-6,Oc1cccc2c1cccn2,1
-kazius_20153-98-4,COc1cc(cc(c1OC)OC)C(=O)OCCCN1CCCN(CC1)CCCOC(=O)c1cc(OC)c(c(c1)OC)OC,0
-kazius_28124-29-0,Nc1ccc2c(c1)nc1c(n2)c(N)ccc1,1
-kazius_83905-01-5,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](CN([C@@H]([C@@H]([C@]1(C)O)O)C)C)C)(C)O,0
-kazius_146795-43-9,O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1Br,1
-kazius_2855-19-8,CCCCCCCCCC[C@@H]1OC1,0
-kazius_115-86-6,O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1,0
-kazius_58-90-2,Oc1c(Cl)cc(c(c1Cl)Cl)Cl,0
-kazius_68299-98-9,OCC(=O)N(c1ccc(cc1)Cl)O,0
-kazius_581-47-5,n1ccc(cc1)c1ccccn1,1
-kazius_89-80-5,C[C@@H]1CC[C@H](C(=O)C1)C(C)C,1
-kazius_1635-63-8,CNP1(=NP(=NP(=N1)(NC)NC)(NC)NC)NC,0
-kazius_62-50-0,CCOS(=O)(=O)C,1
-kazius_59-89-2,O=NN1CCOCC1,1
-kazius_3333-52-6,N#CC(C(C#N)(C)C)(C)C,0
-kazius_159394-73-7,N#Cc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],1
-kazius_1982-67-8,OC(=O)[C@H](CC[S@](=O)(=N)C)N,0
-kazius_18829-55-5,CCCC/C=C/C=O,1
-kazius_820-75-7,[N-]=[N+]=CC(=O)NCC(=O)NN,1
-kazius_41044-12-6,CCN(c1ccc2c(c1)oc(=O)c(c2)c1nc2c(n1C)cccc2)CC,0
-kazius_19600-63-6,C=CCCCC[C@@H]1OC1,1
-kazius_102-28-3,CC(=O)Nc1cccc(c1)N,1
-kazius_15481-70-6,Nc1cccc(c1C)N.Cl.Cl,1
-kazius_4350-09-8,OC(=O)[C@H](Cc1c[nH]c2c1cc(O)cc2)N,0
-kazius_13345-23-8,Oc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,1
-kazius_133-18-6,O=C(c1ccccc1N)OCCc1ccccc1,0
-kazius_2531-84-2,Cc1ccc2c(c1)ccc1c2cccc1,1
-kazius_28166-06-5,[N-]=[N+]=Nc1ccc(c(c1)[N+](=O)[O-])F,1
-kazius_126983-61-7,COC1=CC(=O)c2c(C1=O)nc(c1c2[nH]c2c1cncc2)C,1
-kazius_91423-46-0,CC/C=C/C=C/C=C/C=C/C=C/OC[C@@H](CO)O,1
-kazius_81424-67-1,CNC(=O)ON(C(=O)NC)C(=O)C,1
-kazius_709-49-9,[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])I,1
-kazius_316-14-3,Cc1cc2ccccc2c2c1cc1ccccc1c2,1
-kazius_96-09-3,O1C[C@@H]1c1ccccc1,1
-kazius_74367-78-5,ClCc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],1
-kazius_1013-96-3,OC(=O)/C=C/c1ccccc1[N+](=O)[O-],0
-kazius_16430-32-3,CC(=O)OCc1c2ccccc2cc2c1cccc2,1
-kazius_2851-80-1,Cc1ccc2-c3c(Cc2c1)cc(cc3)C,0
-kazius_542-75-6,ClC/C=C/Cl,1
-kazius_1516-21-8,COc1ccc(cc1)N=O,1
-kazius_2185-92-4,Nc1ccccc1c1ccccc1.Cl,1
-kazius_628-94-4,NC(=O)CCCCC(=O)N,0
-kazius_65-45-2,NC(=O)c1ccccc1O,0
-kazius_115453-71-9,N[C@H](C(=O)O)CS/C=C/Cl,0
-kazius_33448-26-9,CNC1Cc2cccc3c2c(C1)ccc3.Cl,1
-kazius_142129-81-5,c1ccc2c(n1)[C@@H]1O[C@@H]1[C@@H]1[C@H]2O1,0
-kazius_166664-83-1,Nc1nc2c(n1C)cc1c(n2)nccc1,0
-kazius_18234-46-3,O=Cc1ccc2-c1cocc2COC(=O)C,1
-kazius_4812-40-2,OCCn1c(CO)ncc1[N+](=O)[O-],1
-kazius_14698-29-4,CCn1cc(C(=O)O)c(=O)c2c1cc1OCOc1c2,1
-kazius_529-20-4,O=Cc1ccccc1C,0
-kazius_519-23-3,Cc1c2cnccc2c(c2c1c1ccccc1[nH]2)C,1
-kazius_102234-07-1,O=C1NC2(C(=O)N1CCN1CC1)CCCCC2,1
-kazius_525-64-4,Nc1ccc2-c3c(Cc2c1)cc(cc3)N,1
-kazius_644-21-3,CCN(c1ccccc1)N,1
-kazius_102059-18-7,CC(=O)Nc1ccc(cc1)/C=C/C(=O)c1ccccc1,1
-kazius_621-77-2,CCCCCN(CCCCC)CCCCC,0
-kazius_89930-59-6,CCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C)CC(=C1)C,1
-kazius_116169-87-0,O=Nc1nccn1C,1
-kazius_2942-42-9,[O-][N+](=O)c1cccc2c1[nH]nc2,1
-kazius_2598-29-0,CC(=O)Oc1cccc2c1nccc2,0
-kazius_92-70-6,OC(=O)c1cc2ccccc2cc1O,0
-kazius_94500-54-6,ClCc1cc2cccc3c2c2c1c1ccccc1cc2cc3,1
-kazius_52411-33-3,Nc1ccccc1SCCSc1ccccc1N,1
-kazius_106-20-7,CCCC[C@H](CNC[C@@H](CCCC)CC)CC,0
-kazius_6190-65-4,CC(Nc1nc(N)nc(n1)Cl)C,0
-kazius_288-32-4,c1ncc[nH]1,0
-kazius_202-33-5,c1ccc2c(c1)ccc1c2cc2cccc3c2c1C=C3,1
-kazius_35144-55-9,O=C(N[C@H](C(=O)O)CC(=O)O)COc1ccc(cc1Cl)Cl,0
-kazius_144561-63-7,[O-][N+](=O)c1ccc2-c3cc4CCCCc4cc3CCc2c1,1
-kazius_607-35-2,[O-][N+](=O)c1cccc2c1nccc2,1
-kazius_60-24-2,OCCS,0
-kazius_126-33-0,O=S1(=O)CCCC1,0
-kazius_96-45-7,S=C1NCCN1,1
-kazius_51630-58-1,N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@H](c1ccc(cc1)Cl)C(C)C,0
-kazius_13952-84-6,CC[C@H](N)C,0
-kazius_17804-35-2,CCCCNC(=O)n1c(NC(=O)OC)nc2c1cccc2,0
-kazius_16683-64-0,c1ccc2c(c1)cc1c(c2)cc2c3c1C=Cc3ccc2,1
-kazius_101-84-8,c1ccc(cc1)Oc1ccccc1,0
-kazius_789-47-9,Nc1ccc2c(c1)ccc1c2ccc2c1cccc2,1
-kazius_134998-76-8,O=Nc1ccc2c3c1ccc1c3c(cc2)c2c(c1)CCCC2,1
-kazius_2303-16-4,Cl/C=C(/CSC(=O)N(C(C)C)C(C)C)\Cl,1
-kazius_27729-95-9,COc1ccc(cc1)[C@H]1O[C@@H]1C(=O)c1ccccc1,1
-kazius_34866-46-1,NC(=O)Nc1cc(ccc1O)[C@@H](CNC(C)(C)C)O.Cl,0
-kazius_141-91-3,C[C@@H]1CNC[C@H](O1)C,1
-kazius_7364-09-2,O=CC(=C(C)C)Cl,1
-kazius_22316-47-8,Clc1ccc2c(c1)N(C(=O)CC(=O)N2C)c1ccccc1,0
-kazius_105-59-9,OCCN(CCO)C,0
-kazius_2835-97-4,Nc1c(C)cccc1O,0
-kazius_101688-02-2,ClCCN(c1ccc2c(c1)ccc1c2cc(o1)[N+](=O)[O-])CCCl,1
-kazius_609-31-4,CC[C@H]([N+](=O)[O-])CO,0
-kazius_2106-54-9,OC(=O)C([C@@](C([C@](C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F,0
-kazius_103-80-0,ClC(=O)Cc1ccccc1,1
-kazius_951-80-4,Nc1ccc2c(c1)nc1c(c2N)cccc1,1
-kazius_224-42-0,c1ccc2c(c1)ccc1c2cc2c(n1)ccc1c2cccc1,1
-kazius_63019-38-5,Oc1cccc2c1ccc1c2ccc2c1cccc2,1
-kazius_218-01-9,c1ccc2c(c1)c1ccc3c(c1cc2)cccc3,1
-kazius_14064-55-2,Clc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],1
-kazius_39413-05-3,CC(OC(=O)C[C@](C(=O)O)(CC(=O)O)O)C,0
-kazius_6149-34-4,Nc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],1
-kazius_965-52-6,Oc1ccc(cc1)C(=O)N/N=C/c1ccc(o1)[N+](=O)[O-],1
-kazius_82-33-7,Nc1ccc(c2c1C(=O)c1c(C2=O)cccc1[N+](=O)[O-])N,1
-kazius_36712-35-3,[O-][N+](=O)c1cc(ccc1c1ccccc1[N+](=O)[O-])[N+](=O)[O-],1
-kazius_24424-99-5,O=C(OC(C)(C)C)OC(=O)OC(C)(C)C,0
-kazius_87-90-1,O=c1n(Cl)c(=O)n(c(=O)n1Cl)Cl,0
-kazius_101-18-8,Oc1cccc(c1)Nc1ccccc1,0
-kazius_5806-00-8,[O-][N+](=O)c1cccc(c1C)/N=[N+](/c1cccc(c1C)[N+](=O)[O-])\[O-],0
-kazius_115664-51-2,[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c(cc2)ccc1O,1
-kazius_3118-97-6,Cc1ccc(c(c1)C)/N=N/c1c(O)ccc2c1cccc2,1
-kazius_88-89-1,[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O,1
-kazius_206-44-0,c1ccc2-c3c4c(-c2c1)cccc4ccc3,1
-kazius_75-12-7,NC=O,0
-kazius_96563-11-0,Fc1ccc2-c3c([C@H](c2c1)C)cccc3,1
-kazius_64920-31-6,O[C@@H]1C=Cc2c([C@H]1O)ccc1c2ccc2c1cccc2,1
-kazius_55-18-5,CCN(N=O)CC,1
-kazius_90-44-8,O=C1c2ccccc2Cc2c1cccc2,1
-kazius_120-32-1,Clc1ccc(c(c1)Cc1ccccc1)O,0
-kazius_42397-64-8,[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],1
-kazius_758-17-8,CN(C=O)N,0
-kazius_97576-08-4,O[C@@H]1C=Cc2c([C@H]1O)cc1c3c2ccc2c3c(cc1)c(cc2)[N+](=O)[O-],1
-kazius_54954-12-0,OC[C@H]1O[C@@H](Oc2cc(O)cc3c2c(=O)c2c(o3)c(O)ccc2O)[C@@H]([C@H]([C@@H]1O)O)O,1
-kazius_136-85-6,Cc1ccc2c(c1)nn[nH]2,0
-kazius_22089-22-1,ClCCN([P@]1(=O)OCCCN1CCCl)CCCl,1
-kazius_3531-19-9,[O-][N+](=O)c1cc(Cl)c(c(c1)[N+](=O)[O-])N,1
-kazius_96383-86-7,O[C@@H]1C=Cc2c([C@H]1O)ccc1c2ccc2c1cc(cc2)O,1
-kazius_124-07-2,CCCCCCCC(=O)O,0
-kazius_27451-21-4,Cc1ccc(cc1)N(C(=O)C)O,0
-kazius_5307-00-6,COc1cc(N)c(cc1N)C,0
-kazius_99-76-3,COC(=O)c1ccc(cc1)O,0
-kazius_60129-67-1,OCCN(c1ccc(cc1)/N=N/c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])CCO,1
-kazius_7269-57-0,ONc1nc(N)nc2c1nc[nH]2,1
-kazius_57-14-7,CN(N)C,1
-kazius_885-11-0,O=Nc1c(C)n(n(c1=O)c1ccccc1)C,1
-kazius_154-93-8,ClCCNC(=O)N(CCCl)N=O,1
-kazius_499-12-7,OC(=O)C/C(=C\C(=O)O)/C(=O)O,0
-kazius_202-03-9,c1ccc2c(c1)cc1c3c2C=Cc3ccc1,1
-kazius_24463-15-8,OCc1ccc2c3c1ccc1c3c(cc2)ccc1,1
-kazius_63018-94-0,Cc1ccc2c(c1)c(C)c1c(c2C)cccc1,1
-kazius_98-96-4,NC(=O)c1cnccn1,0
-kazius_125239-65-8,COc1cc2nc3cc(N)ccc3nc2cc1N,1
-kazius_3132-64-7,BrC[C@H]1CO1,1
-kazius_62-75-9,O=NN(C)C,1
-kazius_92-59-1,CCN(c1ccccc1)Cc1ccccc1,0
-kazius_528-29-0,[O-][N+](=O)c1ccccc1[N+](=O)[O-],1
-kazius_52101-49-2,CC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],1
-kazius_116-06-3,CNC(=O)O/N=C/C(SC)(C)C,0
-kazius_642-31-9,O=Cc1c2ccccc2cc2c1cccc2,0
-kazius_26651-23-0,OS(=O)(=O)c1ccc2c3c1ccc1c3c(cc2)ccc1,1
-kazius_1464-53-5,O1C[C@@H]1[C@@H]1OC1,1
-kazius_584-48-5,[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])Br,1
-kazius_26196-45-2,Nc1cc([N+](=O)[O-])c(cc1Cl)N,1
-kazius_117929-14-3,[O-][N+](=O)c1cc2CCc3c4c2c(c1)ccc4ccc3,1
-kazius_100593-23-5,O=Nc1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],1
-kazius_33203-82-6,CCN(c1ccc2c(c1)[o+]c1c(n2)ccc(c1)N(CC)CC)CC,1
-kazius_646-06-0,C1OCCO1,0
-kazius_100-74-3,CCN1CCOCC1,1
-kazius_10443-65-9,BrC(=C)C(=O)O,0
-kazius_627-18-9,OCCCBr,1
-kazius_39156-41-7,OS(=O)(=O)O.COc1ccc(cc1N)N,1
-kazius_230-27-3,c1ccc2c(c1)ccc1c2nccc1,1
-kazius_1321-74-0,C=Cc1ccccc1C=C,0
-kazius_4569-77-1,Nc1cc2nc3ccccc3nc2cc1O,1
-kazius_161697-04-7,CN(c1ccc2c(c1C)nc(c(n2)C)C)C,1
-kazius_98-11-3,OS(=O)(=O)c1ccccc1,0
-kazius_107097-80-3,CCCCCN(C(=O)[C@@H](NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCOC,0
-kazius_1070-70-8,C=CC(=O)OCCCCOC(=O)C=C,0
-kazius_496-72-0,Cc1ccc(c(c1)N)N,1
-kazius_103-50-4,O(Cc1ccccc1)Cc1ccccc1,0
-kazius_632-79-1,O=C1OC(=O)c2c1c(Br)c(c(c2Br)Br)Br,0
-kazius_102000-59-9,OC(=O)c1c(N)cccc1N,1
-kazius_25057-89-0,CC(N1C(=O)c2ccccc2NS1(=O)=O)C,0
-kazius_6281-23-8,OC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],1
-kazius_133831-61-5,ClC(=C(SSc1ccccc1[N+](=O)[O-])F)Cl,1
-kazius_53-94-1,ONc1ccc2-c3c(Cc2c1)cccc3,1
-kazius_134785-76-5,O/N=C(/c1ccc2c(c1)nc([nH]2)NC(=O)OC)\c1ccc(cc1)F,1
-kazius_2310-17-0,CCOP(=S)(SCn1c(=O)oc2c1ccc(c2)Cl)OCC,0
-kazius_313-80-4,c1cc2ccc3c4c2c(n1)ccc4ccc3,1
-kazius_619-17-0,OC(=O)c1ccc(cc1N)[N+](=O)[O-],1
-kazius_116374-66-4,CN(CCCNc1c2ccccc2nc2c1c(ccc2F)[N+](=O)[O-])C,1
-kazius_102-70-5,C=CCN(CC=C)CC=C,0
-kazius_71711-58-5,Cc1c(C)c2ccccc2c2c1c(N)c1ccccc1n2,1
-kazius_103-69-5,CCNc1ccccc1,0
-kazius_5869-25-0,Nc1ccc2-c3c4c(-c2c1)cccc4ccc3,1
-kazius_120693-41-6,CCc1c2ccc3c(c2cc2c1cccc2)[C@@H]1O[C@@H]1[C@@H]([C@H]3O)O,1
-kazius_84736-60-7,O=CN(c1ccc(cc1)[N+](=O)[O-])O,1
-kazius_603-85-0,[O-][N+](=O)c1cccc(c1N)O,0
-kazius_7417-67-6,O=NN(C(=O)C)C,1
-kazius_3032-55-1,CC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-],0
-kazius_42017-89-0,Clc1ccc(cc1)C(=O)c1ccc(cc1)OC(C(=O)O)(C)C,0
-kazius_55804-66-5,CCOC(=O)c1cc2cc3CCCN4c3c(c2oc1=O)CCC4,0
-kazius_109460-96-0,N#C/C(=C\c1ccccc1Br)/C(=O)OC,0
-kazius_5443-49-2,O=C/C(=C/c1ccccc1)/Br,1
-kazius_101-90-6,O1C[C@@H]1COc1cccc(c1)OC[C@@H]1OC1,1
-kazius_50-33-9,CCCCC1C(=O)N(N(C1=O)c1ccccc1)c1ccccc1,0
-kazius_584-84-9,O=C=Nc1ccc(c(c1)N=C=O)C,1
-kazius_110-05-4,CC(OOC(C)(C)C)(C)C,0
-kazius_132335-15-0,c1ccc2-c3ccc4c(c3[C@@H]3[C@H](c2c1)N3)cccc4,1
-kazius_527-85-5,NC(=O)c1ccccc1C,0
-kazius_80-43-3,CC(c1ccccc1)(OOC(c1ccccc1)(C)C)C,0
-kazius_109-21-7,CCCCOC(=O)CCC,0
-kazius_305-03-3,ClCCN(c1ccc(cc1)CCCC(=O)O)CCCl,1
-kazius_142-96-1,CCCCOCCCC,0
-kazius_4067-16-7,NCCNCCNCCNCCNCCN,1
-kazius_600-24-8,[O-][N+](=O)[C@@H](CC)C,0
-kazius_24305-27-9,O=C1CC[C@H](N1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N)Cc1nc[nH]c1,0
-kazius_21738-42-1,OCc1cc2CC[C@H](Nc2cc1[N+](=O)[O-])CNC(C)C,1
-kazius_146795-38-2,Clc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],1
-kazius_17683-09-9,Cc1ccc(cc1)/N=N/NCc1ccccc1,1
-kazius_63-25-2,CNC(=O)Oc1cccc2c1cccc2,1
-kazius_645-62-5,CCC/C=C(/C=O)\CC,0
-kazius_104-85-8,N#Cc1ccc(cc1)C,0
-kazius_687-48-9,CCOC(=O)N(C)C,1
-kazius_89-75-8,Clc1ccc(c(c1)Cl)C(=O)Cl,1
-kazius_253-52-1,c1ccc2c(c1)cnnc2,0
-kazius_125676-80-4,OC[C@H]1O[C@@H](O[C@@]23C=C(C)C4([C@]([C@@H]3C(=O)C(C2)(C)C)(C)O)CC4)[C@@H]([C@H]([C@@H]1OC(=O)/C=C/c1ccc(cc1)O)O)OC(=O)C,1
-kazius_83-38-5,O=Cc1c(Cl)cccc1Cl,0
-kazius_498-02-2,COc1cc(ccc1O)C(=O)C,0
-kazius_28995-89-3,[O-][N+](=O)c1cc2cc(cc(c2c(c1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],1
-kazius_333-27-7,COS(=O)(=O)C(F)(F)F,1
-kazius_70853-94-0,ONc1ccc(cc1C)C,1
-kazius_88-95-9,ClC(=O)c1ccccc1C(=O)Cl,1
-kazius_78-98-8,O=CC(=O)C,1
-kazius_97-86-9,CC(COC(=O)C(=C)C)C,0
-kazius_71432-00-3,O=c1oc2cccc3c2c2c1cc1ccccc1c2cc3,1
-kazius_1948-33-0,Oc1ccc(c(c1)C(C)(C)C)O,0
-kazius_100-44-7,ClCc1ccccc1,1
-kazius_92180-79-5,Cc1nc2c(nc1C)ccc1c2nc(n1C)N,1
-kazius_3626-28-6,Oc1ccc(cc1)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)/N=N/c1ccccc1)S(=O)(=O)O.[Na+].[Na+],1
-kazius_3385-21-5,N[C@@H]1CCC[C@H](C1)N,0
-kazius_51483-40-0,BrCC(CBr)Cl,1
-kazius_94-25-7,CCCCOC(=O)c1ccc(cc1)N,0
-kazius_99217-04-6,CC(=O)Oc1cc([N+](=O)[O-])c2c3c1ccc1c3c(cc2)ccc1,1
-kazius_96287-03-5,Nc1cnc2c(c1C)nc1n2cccc1C,1
-kazius_482-89-3,O=C1c2ccccc2N/C/1=C\1/Nc2c(C1=O)cccc2,1
-kazius_3319-31-1,CCCC[C@H](COC(=O)c1cc(ccc1C(=O)OC[C@@H](CCCC)CC)C(=O)OC[C@@H](CCCC)CC)CC,0
-kazius_99-82-1,C[C@@H]1CC[C@H](CC1)C(C)C,0
-kazius_2564-65-0,OCc1c2ccc3c(c2c(c2c1cccc2)CO)cccc3,1
-kazius_4106-66-5,Nc1ccc2c(c1)oc1c2cccc1,1
-kazius_6111-78-0,Cc1cccc2c1cc1c(c2)ccc2c1cccc2,1
-kazius_109-76-2,NCCCN,0
-kazius_84-54-8,Cc1ccc2c(c1)C(=O)c1c(C2=O)cccc1,0
-kazius_93-45-8,Oc1ccc(cc1)Nc1ccc2c(c1)cccc2,0
-kazius_64188-65-4,C1CCC(CC1)N1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,1
-kazius_149-57-5,CCCC[C@@H](C(=O)O)CC,0
-kazius_760-23-6,Cl[C@@H](C=C)CCl,0
-kazius_134-29-2,COc1ccccc1N.Cl,1
-kazius_659-70-1,CC(CCOC(=O)CC(C)C)C,0
-kazius_56-40-6,NCC(=O)O,0
-kazius_6810-26-0,ONc1ccc(cc1)c1ccccc1,1
-kazius_52517-34-7,BrC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3,1
-kazius_479-50-5,CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)C)CC,1
-kazius_21247-98-3,OCc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,1
-kazius_459-56-3,OCc1ccc(cc1)F,0
-kazius_198-55-0,c1cc2cccc3c2c(c1)c1cccc2c1c3ccc2,1
-kazius_112-56-1,CCCCOCCOCCSC#N,0
-kazius_95896-78-9,Cc1cnc2c(n1)c1nc(n(c1c(c2)C)C)N,1
-kazius_17796-82-6,O=C1N(SC2CCCCC2)C(=O)c2c1cccc2,0
-kazius_3058-37-5,C/N=N/O.[K+],1
-kazius_137-05-3,COC(=O)C(=C)C#N,1
-kazius_28911-01-5,Clc1ccc2-n3c(CN=C(c2c1)c1ccccc1Cl)nnc3C,0
-kazius_2746-81-8,CCCCCCC(=O)OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F,0
-kazius_18463-85-9,CN(c1ccc(cc1)/N=N/c1ccc2c(c1)scn2)C,1
-kazius_86-50-0,COP(=S)(SCn1nnc2c(c1=O)cccc2)OC,1
-kazius_92134-93-5,OC[C@@H]1SCCN1N=O,1
-kazius_606-31-5,O=Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],1
-kazius_54755-20-3,Cc1ccc2c(c1)cccc2[N+](=O)[O-],1
-kazius_66-56-8,[O-][N+](=O)c1c(O)cccc1[N+](=O)[O-],1
-kazius_118244-44-3,C/C(=C\C(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@@H](O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C)/CC/C=C(\CCC=C(C)C)/C,0
-kazius_20426-12-4,Oc1ccc(cc1)/C=C/C(=O)c1ccccc1,0
-kazius_31335-69-0,O=CN(c1ccccc1)O,0
-kazius_577-33-3,Oc1c2ccccc2cc2c1ccc(c2O)O,1
-kazius_121-73-3,Clc1cccc(c1)[N+](=O)[O-],0
-kazius_93673-39-3,Oc1cccc2c1ccc1c2cc2c3c1C=Cc3ccc2,1
-kazius_146-22-5,O=C1CN=C(c2c(N1)ccc(c2)[N+](=O)[O-])c1ccccc1,0
-kazius_868-18-8,O[C@H]([C@H](C(=O)O)O)C(=O)O.[Na+].[Na+],0
-kazius_1622-62-4,CN1C(=O)CN=C(c2c1ccc(c2)[N+](=O)[O-])c1ccccc1F,1
-kazius_6459-94-5,OS(=O)(=O)c1cc2ccc(c(c2c(c1)S(=O)(=O)O)/N=N/c1ccc(cc1C)c1ccc(c(c1)C)/N=N/c1ccc(cc1)OS(=O)(=O)c1ccc(cc1)C)O.[Na+].[Na+],1
-kazius_5466-84-2,O=C1OC(=O)c2c1cc(cc2)[N+](=O)[O-],1
-kazius_3680-02-2,C=CS(=O)(=O)C,0
-kazius_108-11-2,CC(C[C@H](O)C)C,0
-kazius_139953-78-9,COC(=O)c1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,1
-kazius_104-55-2,O=C/C=C/c1ccccc1,0
-kazius_86803-19-2,ClCc1cccc2c1c1ccc3c4c1c(c2)ccc4ccc3,1
-kazius_110-96-3,CC(CNCC(C)C)C,0
-kazius_2052-07-5,Brc1ccccc1c1ccccc1,0
-kazius_141-86-6,Nc1cccc(n1)N,1
-kazius_37962-27-9,O=C(/C=C/c1ccc(o1)[N+](=O)[O-])N/N=C/c1ccc(o1)[N+](=O)[O-],1
-kazius_771-29-9,OO[C@@H]1CCCc2c1cccc2,1
-kazius_97919-22-7,Nc1ccc(cc1)S(=O)(=O)Nc1cnc2c(n1)cccc2Cl,0
-kazius_58-55-9,Cn1c(=O)n(C)c2c(c1=O)nc[nH]2,0
-kazius_30747-87-6,[O-][N+](=O)c1cc2c(Cl)nsc2cc1,1
-kazius_107-31-3,COC=O,0
-kazius_619-23-8,ClCc1cccc(c1)[N+](=O)[O-],1
-kazius_546-88-3,CC(=O)NO,1
-kazius_112022-07-8,CN(CCNC(=O)c1cccc2c1sc1ccccc1c2=O)C,1
-kazius_144-62-7,OC(=O)C(=O)O,0
-kazius_142713-63-1,COc1ccc(cc1)CNC(=O)[C@H](Br)C,1
-kazius_120209-97-4,Nc1ccc2c(c1)nc1c(n2)cc(cc1)N,1
-kazius_67-72-1,ClC(C(Cl)(Cl)Cl)(Cl)Cl,0
-kazius_5447-11-0,CSCC[C@@H](C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl,0
-kazius_120302-30-9,OCCc1c[nH]c2c1ccc(c2)[N+](=O)[O-],1
-kazius_97-56-3,Cc1cc(ccc1N)/N=N/c1ccccc1C,1
-kazius_82-28-0,O=C1c2ccccc2C(=O)c2c1ccc(c2N)C,1
-kazius_112-92-5,CCCCCCCCCCCCCCCCCCO,0
-kazius_159092-72-5,[O-][N+](=O)c1ccc2c(c1)c1c(cc2)cccc1[N+](=O)[O-],1
-kazius_91-19-0,c1ccc2c(c1)nccn2,1
-kazius_100-14-1,ClCc1ccc(cc1)[N+](=O)[O-],1
-kazius_64894-89-9,[N-]=[N+]=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)C(=O)O)cccc1,1
-kazius_35142-05-3,COc1cccc2c1ccc1c2c2OCOc2cc1C(=O)O,1
-kazius_18662-53-8,OC(=O)CN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Na+].O,0
-kazius_23696-28-8,OCCNC(=O)c1c(C)[n+]([O-])c2c([n+]1[O-])cccc2,1
-kazius_759-94-4,CCCN(C(=O)SCC)CCC,0
-kazius_3602-55-9,O=C1C=CC(=O)C(=C1)C(C)(C)C,1
-kazius_6237-22-5,CN(CCCNc1c2ccccc2nc2c1cc(cc2)[N+](=O)[O-])C,1
-kazius_114882-46-1,O=Nc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,1
-kazius_55302-96-0,OCCNc1ccc(c(c1)O)C,0
-kazius_2085-88-3,C[C@]1(OC1)c1ccccc1,1
-kazius_75-07-0,CC=O,0
-kazius_148193-31-1,Nc1cccc2c1snc2Cl,1
-kazius_2154-67-8,OC(=O)C1=CC(N(C1(C)C)O)(C)C,0
-kazius_497-19-8,OC(=O)O,0
-kazius_96563-06-3,C[C@@H]1c2ccccc2-c2c1cc(C)c(c2)C,1
-kazius_86470-99-7,C[C@H](c1cc2ccc3c4c2c(c1)ccc4ccc3)O,1
-kazius_2984-50-1,CCCCCC[C@@H]1OC1,0
-kazius_146795-44-0,O=C(c1csc(c1)[N+](=O)[O-])Nc1ccc(cc1)[N+](=O)[O-],1
-kazius_113779-16-1,c1ccc2c(c1)c1ccc3c4c1c1c2cccc1cc4C=C3,1
-kazius_138542-40-2,[O-][N+](=O)c1cc2ccc3c4c2c(c1)ccc4cc1c3cccc1,1
-kazius_99-52-5,[O-][N+](=O)c1ccc(c(c1)C)N,1
-kazius_84-24-2,CCCCCC(=O)Cc1cc(O)cc2c1C(=O)Oc1c(O2)c(CCCCC)c(c(c1)O)C(=O)O,0
-kazius_104-91-6,O=Nc1ccc(cc1)O,1
-kazius_53473-85-1,Nc1ccc2c(c1)cns2,1
-kazius_93-15-2,C=CCc1ccc(c(c1)OC)OC,0
-kazius_932-97-8,O=C1C=CC(=[N+]=[N-])C=C1,1
-kazius_26444-49-5,Cc1cccc(c1)OP(=O)(Oc1ccccc1)Oc1ccccc1,0
-kazius_6628-97-3,O=C1C(=CC(=O)c2c1cccc2)Nc1ccccc1,1
-kazius_1836-77-7,Clc1cc(Cl)cc(c1Oc1ccc(cc1)[N+](=O)[O-])Cl,0
-kazius_523-50-2,O=c1ccc2c(o1)c1ccoc1cc2,0
-kazius_2478-38-8,COc1cc(cc(c1O)OC)C(=O)C,0
-kazius_109143-16-0,ClCCN(c1ccc2c(c1)cc(o2)[N+](=O)[O-])CCCl,1
-kazius_488-11-9,O=C/C(=C(/C(=O)O)\Br)/Br,1
-kazius_13395-02-3,COc1cccc2c1cc1NC(=O)c3c1c2c1OCOc1c3,1
-kazius_21362-69-6,COC1(CCCC1)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)C[C@H]1S[C@H]1C2,0
-kazius_7227-92-1,CN(/N=N/c1ccc(cc1)[N+](=O)[O-])C,1
-kazius_194-69-4,c1ccc2c(c1)ccc1c2ccc2c1c1ccccc1cc2,1
-kazius_1319-69-3,OC[C@H](COP(=O)(O)O)O.[K+].[K+],0
-kazius_143-16-8,CCCCCCNCCCCCC,0
-kazius_2872-48-2,COc1cc(N)c2c(c1N)C(=O)c1c(C2=O)cccc1,1
-kazius_6264-66-0,Nc1ccc(cc1)Oc1ccc(c(c1)N)N,1
-kazius_3268-49-3,CSCCC=O,0
-kazius_94740-40-6,O=NN(C(=O)[C@@H]1CCCN1C(=O)C)CC(=O)O,1
-kazius_514-78-3,C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C1=C(C)C(=O)CCC1(C)C)/C)/C)/C=C/C=C(/C=C/C1=C(C)C(=O)CCC1(C)C)\C,0
-kazius_53940-49-1,COc1cc(ccc1O)C[C@H]1CO1,1
-kazius_13365-37-2,CN(CCCNc1c2ccccc2nc2c1cccc2)C,1
-kazius_56600-58-9,CCc1ccc2c(c1[N+](=O)[O-])C(=O)c1c(C2=O)cccc1,1
-kazius_111-46-6,OCCOCCO,0
-kazius_151378-32-4,O[C@@H]1[C@@H](O)[C@H]2O[C@]32c2c1cccc2-c1c3ccc2c1cccc2,1
-kazius_133502-50-8,CN(c1ccc(cc1)C(=C1C=C/C(=N)/C=C1)c1ccc(cc1)N(C)C)C,0
-kazius_115453-72-0,N[C@H](C(=O)O)CS/C(=C(/C(Cl)(Cl)Cl)\Cl)/Cl,1
-kazius_85-40-5,O=C1NC(=O)[C@@H]2[C@H]1CC=CC2,0
-kazius_872-50-4,O=C1CCCN1C,0
-kazius_61166-04-9,Nc1ccc2c(c1)c1ccccc1n2C,1
-kazius_100-69-6,C=Cc1ccccn1,0
-kazius_14861-17-7,Nc1ccc(cc1)Oc1ccc(cc1Cl)Cl,1
-kazius_53-70-3,c1ccc2c(c1)c1cc3ccc4c(c3cc1cc2)cccc4,1
-kazius_1241-94-7,CCCC[C@H](COP(=O)(Oc1ccccc1)Oc1ccccc1)CC,0
-kazius_84-60-6,Oc1ccc2c(c1)C(=O)c1c(C2=O)cc(cc1)O,0
-kazius_103302-38-1,O[C@H]1C=CC=C[C@@H]1O,1
-kazius_98114-60-4,CC/N=N/O.[K+],1
-kazius_239-35-0,c1ccc2c(c1)c1sc3c(c1cc2)cccc3,1
-kazius_63521-85-7,OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)C[C@@H](O2)C)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC,1
-kazius_37797-31-2,CC(=O)OCc1ccc(cc1)/N=N/c1ccc(cc1)COC(=O)C,1
-kazius_16234-96-1,COC(=O)[C@H]1c2cc3C(=O)c4cccc(c4C(=O)c3c(c2[C@@H](C[C@@]1(O)CC)O)O)O,1
-kazius_98151-91-8,O[C@H]1C=Cc2c([C@@H]1O)c1ccc3c4c1c(c2)ccc4c(cc3)[N+](=O)[O-],1
-kazius_17455-23-1,C1COCCO[C@@H]2CCCC[C@H]2OCCOCCOCCO[C@H]2[C@H](OCCO1)CCCC2,0
-kazius_830-07-9,[O-][N+](=O)/C=C/c1ccc(o1)[N+](=O)[O-],1
-kazius_52-90-4,N[C@@H](C(=O)O)CS,1
-kazius_63449-41-2,CCCCCCCCCCCCCC[N+](Cc1ccccc1)(C)C.Cl,0
-kazius_7097-60-1,O[I](=O)(=O)=O.NCC(=O)NCC(=O)NCC(=O)NCC(=O)O,0
-kazius_835-64-3,Oc1ccccc1c1nc2c(o1)cccc2,0
-kazius_78-38-6,CCP(=O)(OCC)OCC,0
-kazius_84-79-7,CC(=CCC1=C(O)C(=O)c2c(C1=O)cccc2)C,0
-kazius_589-15-1,BrCc1ccc(cc1)Br,0
-kazius_119613-62-6,CCc1cc2ccccc2c2c1c1[C@@H]3O[C@@H]3[C@@H]([C@H](c1cc2)O)O,1
-kazius_4424-06-0,O=c1c2ccc3c4c2c(c2n1c1ccccc1n2)ccc4c(=O)n1c3nc2c1cccc2,1
-kazius_627-30-5,OCCCCl,1
-kazius_527-61-7,O=C1C=C(C)C(=O)C(=C1)C,0
-kazius_1083-57-4,CCOc1ccc(cc1)NC(=O)C[C@H](O)C,1
-kazius_22603-58-3,[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1C)[N+](=O)[O-])N,1
-kazius_106-89-8,ClC[C@H]1CO1,1
-kazius_584-79-2,C=CCC1=C(C)[C@@H](CC1=O)OC(=O)[C@H]1[C@@H](C1(C)C)C=C(C)C,1
-kazius_52671-42-8,O=Nc1ccc(cc1)Oc1ccccc1,1
-kazius_58152-03-7,NC[C@@H](C(=O)N[C@@H]1C[C@@H](N)[C@H]([C@@H]([C@H]1O[C@H]1OC[C@]([C@@H]([C@H]1O)NC)(C)O)O)O[C@H]1O[C@H](CN)[C@H]([C@@H]([C@H]1O)O)O)O,0
-kazius_134998-77-9,[O-][N+](=O)c1cc2cccc3c2c2c1cccc2c1c3cccc1,1
-kazius_122367-97-9,C[C@H]1CN(C)[C@H]2[C@H](C1)c1cc(Br)cc3c1c(C2)cn3CC1CC1,0
-kazius_2303-17-5,CC(N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C)C,1
-kazius_109-16-0,O=C(C(=C)C)OCCOCCOCCOC(=O)C(=C)C,0
-kazius_55566-30-8,OS(=O)(=O)O.OC[P+](CO)(CO)CO,0
-kazius_13684-63-4,COC(=O)Nc1cccc(c1)OC(=O)Nc1cccc(c1)C,1
-kazius_129286-36-8,Fc1ccc2-c3c(-c4c2c1ccc4)c1ccccc1cc3,1
-kazius_28920-43-6,ClC(=O)OCC1c2ccccc2-c2c1cccc2,1
-kazius_842-19-3,Oc1ccc2c(c1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+],0
-kazius_114656-95-0,COC1=CC(=O)c2c(C1=O)c1[nH]c3c(c1c(n2)C)cccc3,1
-kazius_2835-98-5,Cc1ccc(c(c1)O)N,1
-kazius_42509-80-8,CCOP(=S)(Oc1nn(c(n1)Cl)C(C)C)OCC,1
-kazius_141511-28-6,[O-][N+](=O)c1cc2CCc3c4-c2c(c1)CCc4cc1c3CCCC1,1
-kazius_105149-00-6,O=C1OC[C@]2(C(=C1)C(=C[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(OC(=O)C)C(=O)C)C)Cl)C,0
-kazius_52-24-4,S=P(N1CC1)(N1CC1)N1CC1,1
-kazius_218-02-0,c1ccc2c(c1)ccc1c2ccc2c1ccnc2,1
-kazius_112022-13-6,CN(CCNC(=O)c1cccc2c1Nc1ccccc1O2)C,1
-kazius_111990-49-9,Cc1ccc(cc1)CC[C@@H]1OC1,1
-kazius_63019-39-6,Oc1ccc2c(c1)c1ccc3c(c1cc2)cccc3,1
-kazius_4261-14-7,Nc1ncnc2c1ncn2Cc1ccccc1,1
-kazius_554-10-9,OC[C@@H](CI)O,1
-kazius_193-40-8,c1ccc2-c3c4c(-c2c1)nc1ccccc1c4c1c(n3)cccc1,0
-kazius_3198-41-2,Nc1cccc2c1nc1CCCCc1c2,1
-kazius_6756-41-8,Cc1ccc(cc1)/N=N/c1c(O)ccc2c1cccc2,0
-kazius_114231-14-0,COc1cc(OC)c(c(c1)n1c(cc(=O)c(c1c1ccc(cc1)F)C)c1ccccc1)Cl,0
-kazius_115550-35-1,CN1CCN(CC1)c1c(F)cc2c3c1OCN(n3cc(c2=O)C(=O)O)C,1
-kazius_4196-86-5,O=C(c1ccccc1)OCC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)COC(=O)c1ccccc1,0
-kazius_553-30-0,OS(=O)(=O)O.Nc1ccc2c(c1)nc1c(c2)ccc(c1)N,1
-kazius_25003-82-1,n1ccc2c(c1)cc1c(c2)c2ccccc2cc1,1
-kazius_569-57-3,COc1ccc(cc1)C(=C(c1ccc(cc1)OC)Cl)c1ccc(cc1)OC,0
-kazius_612-12-4,ClCc1ccccc1CCl,0
-kazius_522-40-7,CC/C(=C(\c1ccc(cc1)OP(=O)(O)O)/CC)/c1ccc(cc1)OP(=O)(O)O,0
-kazius_86831-65-4,CCN(N(N=O)O)CC,1
-kazius_83287-02-9,COc1ccc2-c3nccc4c3c(C(=O)c2c1)c(OC)c(c4)OC,1
-kazius_100-20-9,ClC(=O)c1ccc(cc1)C(=O)Cl,1
-kazius_153-78-6,Nc1ccc2-c3c(Cc2c1)cccc3,1
-kazius_5401-94-5,[O-][N+](=O)c1ccc2c(c1)cn[nH]2,1
-kazius_111955-14-7,OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)N(c1ccc(cc1)[N+](=O)[O-])N=O,1
-kazius_78865-83-5,CCCCCCCCCCSCn1cc[n+](c1)C.Cl,1
-kazius_64920-32-7,O[C@@H]1C=Cc2c([C@H]1O)c1ccc3c(c1cc2)cccc3,1
-kazius_611-32-5,Cc1cccc2c1nccc2,1
-kazius_81-54-9,Oc1c(O)cc(c2c1C(=O)c1ccccc1C2=O)O,1
-kazius_127-69-5,Nc1ccc(cc1)S(=O)(=O)Nc1onc(c1C)C,0
-kazius_134-50-9,Nc1c2ccccc2nc2c1cccc2,1
-kazius_42397-65-9,[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],1
-kazius_100-39-0,BrCc1ccccc1,1
-kazius_17564-64-6,ClCN1C(=O)c2c(C1=O)cccc2,1
-kazius_6358-85-6,CC(=O)[C@H](C(=O)Nc1ccccc1)/N=N/c1ccc(cc1Cl)c1ccc(c(c1)Cl)/N=N/[C@@H](C(=O)Nc1ccccc1)C(=O)C,0
-kazius_7390-81-0,CCCCCCCCCCCCCCCC[C@H]1CO1,0
-kazius_21829-25-4,COC(=O)C1=C(C)NC(=C([C@@H]1c1ccccc1[N+](=O)[O-])C(=O)OC)C,0
-kazius_838-95-9,CN(c1ccc(cc1)/C=C/c1ccccc1)C,1
-kazius_215-62-3,c1ccc2c(c1)nc1c(c2)c2ccccc2c2c1cccc2,1
-kazius_957-52-8,ClCc1ccc2-c3c(-c4c2c1ccc4)cccc3,1
-kazius_501-92-8,C=CCc1ccc(cc1)O,0
-kazius_541-73-1,Clc1cccc(c1)Cl,0
-kazius_95860-07-4,ONc1cc(ccc1C)[N+](=O)[O-],0
-kazius_92072-09-8,[O-][N+](=O)c1ccc2c3c1cccc3c1c3c2cccc3ccc1[N+](=O)[O-],1
-kazius_70403-81-5,COc1ccc2-c3c(OC)c(OC)cc4c3c(C(=O)c2c1)ncc4,1
-kazius_88-05-1,Cc1cc(C)c(c(c1)C)N,1
-kazius_779-02-2,Cc1c2ccccc2cc2c1cccc2,1
-kazius_298-00-0,COP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OC,1
-kazius_77784-21-5,COc1c(OC)ccc2c1cc1N(C)C(=O)C(=O)c3c1c2c1OCOc1c3,1
-kazius_434-07-1,O/C=C\1/C[C@@]2(C)[C@H](CC1=O)CC[C@@H]1[C@@H]2CC[C@]2([C@@H]1CC[C@]2(C)O)C,0
-kazius_65089-17-0,OCCNC(=O)CSc1nc(Cl)cc(n1)Nc1c(C)cccc1C,0
-kazius_123-28-4,CCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCC,0
-kazius_87-25-2,CCOC(=O)c1ccccc1N,0
-kazius_107-92-6,CCCC(=O)O,0
-kazius_88847-89-6,OC[C@H]1O[C@H](C[C@@H]1O)n1c(O)nc2c1nc(N)[nH]c2=O,0
-kazius_105-11-3,O/N=C/1\C=C/C(=N/O)/C=C1,1
-kazius_479-45-8,CN(c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],1
-kazius_613-47-8,ONc1ccc2c(c1)cccc2,1
-kazius_76150-91-9,Clc1cnc(c(c1)Cl)Oc1ccc(cc1)Oc1ncc(cc1Cl)Cl,0
-kazius_89021-88-5,O=C(N[C@H](C(=O)NCC(=O)O)CS/C(=C(\C(=C(Cl)Cl)Cl)/Cl)/Cl)CC[C@@H](C(=O)O)N,1
-kazius_122-48-5,COc1cc(CCC(=O)C)ccc1O,0
-kazius_117929-15-4,[O-][N+](=O)c1cc2ccc3c4c2c(c1)ccc4cc(c3)[N+](=O)[O-],1
-kazius_7220-81-7,COc1cc2O[C@@H]3[C@H](c2c2c1c1CCC(=O)c1c(=O)o2)CCO3,1
-kazius_616-23-9,OC[C@@H](CCl)Cl,1
-kazius_80-08-0,Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N,0
-kazius_100-75-4,O=NN1CCCCC1,1
-kazius_366-18-7,c1ccc(nc1)c1ccccn1,1
-kazius_105802-11-7,[O-][N+](=O)c1c2ccccc2c2c(c1C)c1ccccc1cc2,1
-kazius_2835-68-9,Nc1ccc(cc1)C(=O)N,0
-kazius_79-24-3,[O-][N+](=O)CC,0
-kazius_1622-57-7,Cn1c(N)nc2c1cccc2,1
-kazius_7319-59-7,CC(=O)O[C@@H]1Cc2c3c1c1ccc4c(c1cc3ccc2C)cccc4,1
-kazius_106671-89-0,Clc1ccc(cc1)c1nc2n(c1[N+](=O)[O-])ccs2,1
-kazius_17722-71-3,O=C(Nc1ccc(c(c1)Cl)Cl)CCC(=O)O,0
-kazius_17948-33-3,CC(=C)[C@@H]1Oc2c(C1)c1c(c(c2)O)c(=O)c2c(n1C)cccc2,1
-kazius_133831-62-6,Cl/C(=C(\C(F)(F)F)/Cl)/SSc1ccccc1[N+](=O)[O-],1
-kazius_53-95-2,CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)O,1
-kazius_78-44-4,CCC[C@](COC(=O)N)(COC(=O)NC(C)C)C,0
-kazius_97-32-5,COc1ccc(cc1[N+](=O)[O-])C(=O)Nc1ccccc1,1
-kazius_42924-53-8,COc1ccc2c(c1)ccc(c2)CCC(=O)C,0
-kazius_93-76-5,OC(=O)COc1cc(Cl)c(cc1Cl)Cl,0
-kazius_116374-67-5,CN(CCCNc1c2ccccc2nc2c1c(ccc2N(C)C)[N+](=O)[O-])C,1
-kazius_102-71-6,OCCN(CCO)CCO,0
-kazius_14088-71-2,OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C1CC1,0
-kazius_20265-96-7,Nc1ccc(cc1)Cl.Cl,1
-kazius_17135-78-3,Clc1ccc2c(c1)cc1c(c2)cccc1,1
-kazius_1503-91-9,ON(c1ccc(cc1)Cl)C(=O)C,0
-kazius_126572-80-3,ClC(/C(=C(\C(=O)O)/Cl)/C(=O)O)Cl,1
-kazius_87-61-6,Clc1c(Cl)cccc1Cl,0
-kazius_50-34-0,O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C.Br,0
-kazius_83463-62-1,Cl[C@H](C#N)Br,1
-kazius_954-46-1,[O-][N+](=O)c1cc2ccccc2c2c1cccc2,1
-kazius_26306-61-6,Nc1ccc(cc1)Oc1c(Cl)cc(cc1Cl)Cl,1
-kazius_106-46-7,Clc1ccc(cc1)Cl,0
-kazius_159092-67-8,[O-][N+](=O)c1ccc2c(c1)c1cccc(c1cc2)[N+](=O)[O-],1
-kazius_394-68-3,Fc1cccc2c1nccc2,1
-kazius_4465-94-5,NC1CCCCC1.OCCCN[P@](=O)(N(CCCl)CCCl)O,1
-kazius_1135-24-6,COc1cc(/C=C/C(=O)O)ccc1O,0
-kazius_41122-70-7,CCCCCCc1ccc(cc1)c1ccc(cc1)C#N,0
-kazius_600-25-9,[O-][N+](=O)[C@@H](CC)Cl,1
-kazius_26761-45-5,O=C(OC[C@H]1CO1)CCCCCC(C)(C)C,1
-kazius_100325-51-7,CCn1cc(C(=O)O)c(=O)c2c1c(F)c(c1ccncc1)c(c2)F,0
-kazius_126222-34-2,O=C([C@H](Cc1c[nH]cn1)NC(=O)[C@@H](CS(=O)(=O)C(C)(C)C)Cc1ccccc1)N[C@H]([C@H]([C@H](C1CC1)O)O)CC1CCCCC1,0
-kazius_114-83-0,CC(=O)NNc1ccccc1,1
-kazius_146795-39-3,Clc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],1
-kazius_534-22-5,Cc1ccco1,0
-kazius_550-60-7,[O-][N+](=O)c1c(O)ccc2c1cccc2,1
-kazius_13171-21-6,CCN(C(=O)/C(=C(\OP(=O)(OC)OC)/C)/Cl)CC,1
-kazius_101901-06-8,CC[C@]1(OCCc2c1[nH]c1c2cc(cc1CC)O)CC(=O)O,1
-kazius_90301-59-0,ClCCc1cn([C@H]2C[C@@H]([C@H](O2)CO)O)c(=O)[nH]c1=O,0
-kazius_56-05-3,Clc1cc(Cl)nc(n1)N,0
-kazius_109897-79-2,O[C@@H]1C=Cc2c([C@H]1O)cc1c(c2)cc(cc1)[N+](=O)[O-],1
-kazius_4309-66-4,Nc1ccc(cc1)/C=C/c1ccccc1,1
-kazius_118-58-1,O=C(c1ccccc1O)OCc1ccccc1,0
-kazius_930-37-0,COC[C@H]1CO1,1
-kazius_253-53-2,n1ccc2c(c1)cnnc2,0
-kazius_1608-51-1,Fc1ccc(cc1)/C=C/C(=O)c1ccccc1,0
-kazius_16543-55-8,O=NN1CCC[C@@H]1c1cccnc1,1
-kazius_88-96-0,NC(=O)c1ccccc1C(=O)N,0
-kazius_24367-94-0,CC(=O)Nc1ccc(cc1)Cc1ccc(cc1)N,0
-kazius_3271-05-4,COc1ccc2c3c1C(=O)N(C)C(=O)c3ccc2,0
-kazius_95-06-7,CCN(C(=S)SCC(=C)Cl)CC,1
-kazius_557-11-9,NC(=O)NCC=C,1
-kazius_141-32-2,CCCCOC(=O)C=C,0
-kazius_497-23-4,C1OC(=O)C=C1,0
-kazius_15961-88-3,[O-]/[N+](=N\c1ccc2-c3c(Cc2c1)cccc3)/c1ccc2-c3c(Cc2c1)cccc3,0
-kazius_84850-16-8,c1ccc2-c3c([C@@H]4[C@H](c2c1)O4)c1ccccc1c1c3cccc1,1
-kazius_4802-20-4,SC[C@H]([C@@H]1CC[C@H]([C@@H](C1)S)C)C,0
-kazius_4418-26-2,Cc1cc(O)c(c(=O)o1)C(=O)C.[Na+],0
-kazius_140460-98-6,O[C@H]1[C@@H]2O[C@@H]2c2c([C@@H]1O)ccc1c2nc2ccc3c(c2c1)cccc3,1
-kazius_928-73-4,NC(=O)N/N=C/C(=O)O,0
-kazius_3626-29-7,OS(=O)(=O)c1ccc2c(c1)c(/N=N/c1ccc(c(c1)C(=O)O)O)ccc2/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)O,1
-kazius_95741-56-3,Cc1c2ccccc2c(c2-c3c4c(-c12)cccc4ccc3)C,1
-kazius_61422-45-5,CCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O,0
-kazius_542-78-9,O=CCC=O,1
-kazius_109-77-3,N#CCC#N,0
-kazius_97-02-9,[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])N,1
-kazius_52547-00-9,Cc1nsc(c1)N.Cl,1
-kazius_93-46-9,c1ccc2c(c1)cc(cc2)Nc1ccc(cc1)Nc1ccc2c(c1)cccc2,1
-kazius_64188-66-5,CCCCN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,1
-kazius_434-13-9,O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C,0
-kazius_384-22-5,[O-][N+](=O)c1ccccc1C(F)(F)F,0
-kazius_2438-88-2,COc1c(Cl)c(Cl)c(c(c1Cl)Cl)[N+](=O)[O-],0
-kazius_7422-80-2,CCCCN(CCCC)N,0
-kazius_113600-15-0,Fc1ccc2c(c1)cc1-c3cccc4c3c(-c1c2)ccc4,1
-kazius_619-90-9,CC(=O)OCc1ccc(cc1)[N+](=O)[O-],1
-kazius_83-75-0,CCOC(=O)O[C@H](c1ccnc2c1cc(OC)cc2)[C@@H]1C[C@@H]2CCN1C[C@@H]2C=C,0
-kazius_92-66-0,Brc1ccc(cc1)c1ccccc1,0
-kazius_101-61-1,CN(c1ccc(cc1)Cc1ccc(cc1)N(C)C)C,1
-kazius_9041-93-4,OS(=O)(=O)O.OC[C@@H]1O[C@@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@@H]([C@H](C(=O)N[C@@H](C(=O)NCCc2scc(n2)c2ncc(s2)C(=O)NCCC[S+](C)C)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@H]([C@@H]1O)OC(=O)N)O.OC[C@@H]1O[C@@H](O[C@H]([C@H](C(=O)N[C@@H]([C@@H]([C@@H](C(=O)N[C@@H](C(=O)NCCc2scc(n2)c2ncc(s2)C(=O)NCCC[S+](C)C)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@H]([C@@H]1O)OC(=O)N)O,1
-kazius_112-57-2,NCCNCCNCCNCCN,1
-kazius_599-07-5,O[C@@H]1C[C@@]2(C)[C@H]([C@]([C@@H]1O)(C)C(=O)O)CC[C@@]1([C@@H]2CC=C2[C@]1(C)CC[C@]1([C@H]2CC(C)(C)CC1)C(=O)O)C,0
-kazius_78113-36-7,CCCCCCCCCCCCCCCCCC(=O)NCCCC[C@@H](C(=O)O)NC(=O)CC[C@H](C(=O)N)NC(=O)[C@@H](NC(=O)[C@H](O[C@@H]1[C@H](NC(=O)C)[C@H](O)O[C@@H]([C@H]1O)CO)C)C,0
-kazius_3228-99-7,ClCC(CCl)(CCl)CCl,0
-kazius_1141-35-1,Clc1ccc(cc1)c1nc2c(o1)cccc2,0
-kazius_3096-52-4,[O-][N+](=O)c1ccc2-c3c(C(=O)c2c1)cccc3,1
-kazius_422-56-0,ClC(C(C(F)(F)F)(F)F)Cl,0
-kazius_95331-48-9,CC(=O)N(c1ccc2c3c1ccc1c3c(cc2)ccc1)O,1
-kazius_958-93-0,CN(CCN(c1ccccn1)Cc1cscc1)C.Cl,0
-kazius_67151-57-9,Cc1ccc(cc1/N=[N+](/c1cc(ccc1C)[N+](=O)[O-])\[O-])[N+](=O)[O-],0
-kazius_94-62-2,O=C(N1CCCCC1)/C=C/C=C/c1ccc2c(c1)OCO2,0
-kazius_125279-82-5,[O-][N+](=O)c1ccc(cc1)OC[C@@H]1OC1,1
-kazius_5234-06-0,c1ccc2c(c1)cc(cc2)OC[C@H]1CO1,1
-kazius_3074-03-1,O=C1c2cc3ccccc3cc2-c2c1cccc2,1
-kazius_621-90-9,CNc1ccc(cc1)/N=N/c1ccccc1,1
-kazius_63104-32-5,Cc1cccc2c1c1ccc3c4c1c(c2)ccc4ccc3,1
-kazius_110-97-4,C[C@H](CNC[C@H](O)C)O,0
-kazius_25953-06-4,CCN(c1ccc(c(c1)O)N=O)CC.Cl,0
-kazius_150-78-7,COc1ccc(cc1)OC,0
-kazius_6201-87-2,Nc1cc(C(=O)O)c(c(c1)S(=O)(=O)O)O,0
-kazius_2402-77-9,Clc1ncccc1Cl,1
-kazius_98-37-3,Oc1ccc(cc1N)S(=O)(=O)O,0
-kazius_22224-92-6,CCO[P@@](=O)(Oc1ccc(c(c1)C)SC)NC(C)C,0
-kazius_399-10-0,Fc1ccc(cc1)C(=O)/C=C/c1ccccc1,0
-kazius_619-24-9,N#Cc1cccc(c1)[N+](=O)[O-],1
-kazius_585-71-7,C[C@@H](c1ccccc1)Br,0
-kazius_103-76-4,OCCN1CCNCC1,0
-kazius_78967-07-4,COc1ccc(cc1)c1c(onc1c1ccc(cc1)OC)CC(=O)O,0
-kazius_112022-08-9,CN(CCNC(=O)c1cccc2c1oc1ccccc1c2=O)C,1
-kazius_13674-87-8,ClCC(OP(=O)(OC(CCl)CCl)OC(CCl)CCl)CCl,1
-kazius_107210-39-9,CN(CCCNc1c2ccccc2nc2c1c(ccc2N(CCOC(=O)C)CCOC(=O)C)[N+](=O)[O-])C,1
-kazius_142713-64-2,COc1cc(CNC(=O)[C@H](Br)C)ccc1O,1
-kazius_2277-92-1,Clc1cc(NC(=O)c2c(O)c(Cl)cc(c2Cl)Cl)c(c(c1)Cl)O,0
-kazius_7473-93-0,O=C(c1ccccc1)/C=C/c1ccccc1[N+](=O)[O-],0
-kazius_51940-44-4,CCn1cc(C(=O)O)c(=O)c2c1nc(nc2)N1CCNCC1,1
-kazius_532-32-1,OC(=O)c1ccccc1.[Na+],0
-kazius_2255-17-6,COP(=O)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,1
-kazius_1212-29-9,S=C(NC1CCCCC1)NC1CCCCC1,0
-kazius_159092-73-6,[O-][N+](=O)c1ccc2c(c1)c1ccccc1cc2[N+](=O)[O-],1
-kazius_102-96-5,[O-][N+](=O)/C=C/c1ccccc1,1
-kazius_1689-84-5,N#Cc1cc(Br)c(c(c1)Br)O,0
-kazius_35142-06-4,COC(=O)c1cc2OCOc2c2c1ccc1c2cccc1OC,1
-kazius_148193-32-2,COc1nsc2c1ccc(c2)[N+](=O)[O-],1
-kazius_84987-77-9,ClCCOC/C(=C\Cl)/Cl,1
-kazius_2154-68-9,OC(=O)[C@@H]1CC(N(C1(C)C)O)(C)C,0
-kazius_81-49-2,Brc1cc(Br)c(c2c1C(=O)c1ccccc1C2=O)N,1
-kazius_700-00-5,Nc1ncnc2c1ncn2C,1
-kazius_933-78-8,Clc1cc(O)c(c(c1)Cl)Cl,0
-kazius_14692-41-2,Cn1cnc2c1ccc1c2cccn1,1
-kazius_96563-07-4,Cc1ccc2c(-c3ccccc3[C@H]2C)c1,1
-kazius_67392-87-4,O=C1CC[C@]2(C(=C1)[C@@H]1C[C@@H]1[C@@H]1[C@@H]2CC[C@]2([C@H]1[C@@H]1C[C@@H]1[C@]12CCC(=O)O1)C)C,0
-kazius_110417-88-4,CC[C@H]([C@@H](N(C(=O)[C@@H](C(C)C)NC(=O)[C@H](N(C)C)C(C)C)C)[C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C(=O)N[C@@H](c1nccs1)Cc1ccccc1)C)OC)OC)C,0
-kazius_19331-27-2,[O-][N+](=O)c1ccc2c(c1)snc2Cl,1
-kazius_146795-45-1,O=C(c1csc(c1)[N+](=O)[O-])Nc1cccc(c1)[N+](=O)[O-],1
-kazius_716-53-0,Clc1c2ccccc2cc2c1cccc2,1
-kazius_2675-77-6,COc1cc(Cl)c(cc1Cl)OC,1
-kazius_135086-91-8,[O-][N+](=O)c1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,1
-kazius_439-14-5,Clc1ccc2c(c1)C(=NCC(=O)N2C)c1ccccc1,0
-kazius_38965-71-8,[O-][N+](=O)c1cc2c(O)cccc2c2c1c(cc1c2OCO1)C(=O)O,1
-kazius_13523-75-6,N[C@H](C(=O)O)CCC(=O)NNc1ccccc1,1
-kazius_940-14-7,C=COc1ccc(cc1)[N+](=O)[O-],1
-kazius_1679-02-3,Cc1ccc2c(c1)c1ccc3c(c1cc2)ccc1c3cccc1C,0
-kazius_2998-23-4,CCCCCOC(=O)C=C,0
-kazius_18774-09-9,OOC1(C)c2ccccc2-c2c1cccc2,1
-kazius_159394-72-6,N#Cc1cccc(c1)/C=C/c1ccc(cc1)[N+](=O)[O-],1
-kazius_10549-22-1,[O-][N+](=O)c1cc2CCc3c4-c2c(c1)CCc4ccc3,1
-kazius_99346-50-6,O=c1cn[nH]c(=O)[nH]1.OCCNCCO,1
-kazius_83053-60-5,CCCCOc1cc2C(=O)CCc2c2c1c1ccccc1cc2,0
-kazius_7433-46-7,CNC(=O)NO,0
-kazius_2381-31-9,Cc1cccc2c1cc1ccc3c(c1c2)cccc3,1
-kazius_92-36-4,Nc1ccc(cc1)c1nc2c(s1)cc(cc2)C,1
-kazius_7156-07-2,c1cc2[C@@H]3N[C@@H]3c3c2c(c1)ccc3,1
-kazius_108-67-8,Cc1cc(C)cc(c1)C,0
-kazius_108283-47-2,N[C@@H](C(=O)OC(C)(C)C)CN=[N+]=[N-],1
-kazius_109143-17-1,ClCCN(c1ccc2c(c1)oc(c2)[N+](=O)[O-])CCCl,1
-kazius_55-31-2,CNC[C@H](c1ccc(c(c1)O)O)O.Cl,0
-kazius_118745-11-2,O=CN(c1ccc(cc1)/C=C/c1ccccc1)O,1
-kazius_833-50-1,c1ccc(cc1)c1nc2c(o1)cccc2,0
-kazius_55-86-7,ClCCN(CCCl)C,1
-kazius_117-84-0,CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC,0
-kazius_4075-79-0,CC(=O)Nc1ccc(cc1)c1ccccc1,1
-kazius_66-27-3,COS(=O)(=O)C,1
-kazius_4514-19-6,Cc1cc2c3c4c1cccc4ccc3cc1c2cccc1,1
-kazius_55268-74-1,O=C(N1CC(=O)N2[C@H](C1)c1ccccc1CC2)C1CCCCC1,0
-kazius_61064-66-2,ClNc1ccc2-c3c(Cc2c1)cccc3,1
-kazius_100-51-6,OCc1ccccc1,0
-kazius_22433-76-7,CC(=O)Nc1ccc2c(c1)cccn2,1
-kazius_2519-30-4,CC(=O)Nc1ccc(c2c1c(O)c(/N=N/c1ccc(c3c1cc(cc3)S(=O)(=O)O)/N=N\c1ccc(cc1)S(=O)(=O)O)c(c2)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+].[Na+].[Na+],0
-kazius_121-44-8,CCN(CC)CC,0
-kazius_81316-80-5,[O-][N+](=O)c1ccc2-c3c(-c4c2c1ccc4)cc1c(c3)cccc1,1
-kazius_2403-27-2,Brc1ccc(cc1)C(=O)/C=C/c1ccccc1,0
-kazius_13558-31-1,Nc1ccc2c(c1)oc1-c(c2c2ccccc2C(=O)O)ccc(=N)c1,0
-kazius_23703-14-2,c1ccc(cc1)c1ccc(cc1)C[C@H]1CO1,1
-kazius_626-15-3,BrCc1cccc(c1)CBr,0
-kazius_61166-05-0,[O-][N+](=O)c1ccc2c(c1)c1ccccc1n2C,1
-kazius_576-24-9,Clc1c(O)cccc1Cl,0
-kazius_5926-90-9,CCCCCCOC[C@H]1CO1,1
-kazius_24471-48-5,OCc1cc2ccc3c4c2c(c1)ccc4ccc3,1
-kazius_109-83-1,CNCCO,0
-kazius_84-61-7,O=C(c1ccccc1C(=O)OC1CCCCC1)OC1CCCCC1,0
-kazius_64-67-5,CCOS(=O)(=O)OCC,1
-kazius_93-52-7,BrC[C@H](c1ccccc1)Br,1
-kazius_98114-61-5,CCC/N=N/O.[K+],1
-kazius_85815-37-8,NCC(=O)NCc1nc(nn1c1ccc(cc1C(=O)c1ccccc1Cl)Cl)C(=O)N(C)C.Cl.O.O,0
-kazius_575-44-0,Oc1ccc2c(c1)cccc2O,1
-kazius_68006-83-7,Cc1cc2c(nc1N)[nH]c1c2cccc1,1
-kazius_37393-11-6,OCc1c(O[C@H]2O[C@H](CO[C@@H]3OC[C@H]([C@@H]([C@H]3O)O)O)[C@H]([C@@H]([C@H]2O)O)O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,1
-kazius_37515-51-8,Oc1cc2c(c3c1cccc3)ccc1c2cccc1,1
-kazius_98-07-7,ClC(c1ccccc1)(Cl)Cl,1
-kazius_107-02-8,C=CC=O,1
-kazius_75464-10-7,CCC(=O)c1c2cccc(c2c(c2c1cccc2O)O)O,1
-kazius_98151-92-9,Nc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,1
-kazius_86451-37-8,CN(N=O)C[C@@H](CO)O,1
-kazius_6606-59-3,O=C(C(=C)C)OCCCCCCOC(=O)C(=C)C,0
-kazius_56715-28-7,c1ccc2c(c1)c(OC[C@H]1CO1)ccc2,1
-kazius_122-60-1,O1C[C@@H]1COc1ccccc1,1
-kazius_38716-10-8,OOCc1cn([C@H]2C[C@H]([C@H](O2)CO)O)c(=O)[nH]c1=O,1
-kazius_106-22-9,OCC[C@H](CCC=C(C)C)C,0
-kazius_97166-13-7,C[C@H]([C@@H](CBr)Br)Cl,1
-kazius_89795-79-9,Nc1cccc2c1snc2,1
-kazius_1609-93-4,OC(=O)/C=C/Cl,1
-kazius_100527-20-6,[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1cc2)[N+](=O)[O-],1
-kazius_21490-63-1,C[C@@H]1O[C@@H]1C,1
-kazius_2941-64-2,CCSC(=O)Cl,0
-kazius_106871-13-0,ClCCN(c1cc(ccc1C)C(P(=O)(O)O)(P(=O)(O)O)O)CCCl,1
-kazius_527-62-8,Clc1cc(N)c(c(c1)Cl)O,0
-kazius_2893-78-9,Oc1nc(=O)n(c(=O)n1Cl)Cl.[Na+],0
-kazius_87-56-9,O=C/C(=C(/C(=O)O)\Cl)/Cl,1
-kazius_76144-81-5,OC(=O)CCN[N+](C)(C)C,0
-kazius_113124-69-9,COC1=CC(=O)c2c(C1=O)ncc1c2[nH]c2c1CCCC2,1
-kazius_50-29-3,ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl,0
-kazius_23255-93-8,CS(=O)(=O)O.CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)CO)CC,1
-kazius_492-27-3,OC(=O)c1cc(O)c2c(n1)cccc2,0
-kazius_134998-78-0,CC(=O)Oc1c(OC(=O)C)c2c(ccc3c2c2c1cccc2c1c3cccc1)[N+](=O)[O-],1
-kazius_1794-84-9,[O-][N+](=O)CCl,1
-kazius_5329-15-7,COc1cc(N)ccc1NC(=O)C,1
-kazius_109621-20-7,COC(=O)[C@@H](NC(=O)C)CSC[C@H](Br)C,1
-kazius_33213-65-9,O=[S@@]1OC[C@H]2[C@H](CO1)[C@]1(C([C@]2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,0
-kazius_2564-06-9,ClCC(=O)NCc1ccccc1,1
-kazius_580-20-1,Oc1ccc2c(c1)nccc2,0
-kazius_577-59-3,[O-][N+](=O)c1ccccc1C(=O)C,0
-kazius_80-39-7,CCNS(=O)(=O)c1ccc(cc1)C,0
-kazius_129286-37-9,Fc1ccc2c(c1)ccc1-c3c4c(-c21)cccc4ccc3,1
-kazius_114656-96-1,O=C1C=C(N2CC2)C(=O)c2c1nc(C)c1c2[nH]c2c1cccc2,1
-kazius_75-99-0,OC(=O)C(Cl)(Cl)C,0
-kazius_91687-67-1,C[C@H](C(=O)NCc1ccc(cc1)Cl)Br,1
-kazius_85723-20-2,O=C(Nc1n(C)nc(c1C(=O)c1ccccc1F)C)CNCCCN1CCCC[C@H]1C,1
-kazius_141511-29-7,[O-][N+](=O)c1ccc2-c3ccc4c(c3CCc2c1)CCCC4,1
-kazius_108618-28-6,N#Cc1cccc(c1)/C=C/c1ccc(cc1)N,1
-kazius_30039-44-2,CCC(=O)OCc1ccc(cc1)[N+](=O)[O-],1
-kazius_134-72-5,OS(=O)(=O)O.CN[C@H]([C@@H](c1ccccc1)O)C.CN[C@H]([C@@H](c1ccccc1)O)C,0
-kazius_92-06-8,c1cc(cc(c1)c1ccccc1)c1ccccc1,0
-kazius_1918-00-9,COc1c(Cl)ccc(c1C(=O)O)Cl,0
-kazius_78-75-1,BrC[C@H](Br)C,1
-kazius_97-63-2,CCOC(=O)C(=C)C,0
-kazius_51-45-6,NCCc1c[nH]cn1,0
-kazius_4196-87-6,O=C(c1ccccc1)OCC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)C,0
-kazius_100-21-0,OC(=O)c1ccc(cc1)C(=O)O,0
-kazius_121-14-2,[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])C,1
-kazius_29743-15-5,CCCCOc1ccc(cc1)/C=N/c1ccc(cc1)CC,1
-kazius_4836-66-2,OCc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],1
-kazius_111955-18-1,O[C@@H]1[C@H](O)[C@@H](O)CO[C@H]1N(c1ccc(cc1)[N+](=O)[O-])N=O,1
-kazius_937-40-6,O=NN(Cc1ccccc1)C,1
-kazius_36050-09-6,[O-][N+](=O)c1scc(c1)C(=O)N,1
-kazius_81-55-0,O=C1c2c(ccc(c2C(=O)c2c1c(ccc2O)[N+](=O)[O-])O)[N+](=O)[O-],1
-kazius_90-46-0,OC1c2ccccc2Oc2c1cccc2,1
-kazius_50-65-7,Clc1ccc(c(c1)C(=O)Nc1ccc(cc1Cl)[N+](=O)[O-])O,1
-kazius_611-33-6,Clc1cccc2c1nccc2,1
-kazius_521-61-9,COc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C,1
-kazius_118174-26-8,O=C(OC(C)(C)C)N/N=C/c1c[n+]([O-])c2c([n+]1[O-])cccc2,1
-kazius_2508-23-8,CC(=O)N(c1ccc2c(c1)cccc2)O,1
-kazius_24260-08-0,CCOC1=CC(=O)C(=CC1=O)NC(=O)C,1
-kazius_1421-85-8,c1ccc2-c3cc4ccc5c(c4cc3[C@@H]3[C@H](c2c1)O3)cccc5,1
-kazius_110520-17-7,n1ccc2c(c1)cc1c(c2)c2ccccc2c2c1cccc2,1
-kazius_18458-01-0,Cc1ccc(cc1)C[C@@H]1OC1,1
-kazius_1204-60-0,O=Cc1cccc(c1)c1ccccc1,0
-kazius_124-09-4,NCCCCCCN,0
-kazius_3740-52-1,OC(=O)Cc1ccccc1[N+](=O)[O-],1
-kazius_4316-73-8,CNCC(=O)O,0
-kazius_5307-02-8,COc1cc(N)ccc1N,1
-kazius_108-73-6,Oc1cc(O)cc(c1)O,0
-kazius_779-03-3,Nc1c2ccccc2cc2c1cccc2,1
-kazius_77784-22-6,COc1c(OC)ccc2c1cc1N(C)CCc3c1c2c1OCOc1c3,1
-kazius_72492-12-7,O=C1c2cc(ccc2OC21CC2)C(=O)C,0
-kazius_1985-51-9,O=C(C(=C)C)OCC(COC(=O)C(=C)C)(C)C,0
-kazius_82-71-3,[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1O)[N+](=O)[O-])O,0
-kazius_91-62-3,Cc1ccc2c(c1)cccn2,1
-kazius_132898-07-8,Cc1nc2c(nc1C)cc(c1c2nc(n1C)N)C,1
-kazius_504-88-1,[O-][N+](=O)CCC(=O)O,1
-kazius_533-73-3,Oc1ccc(c(c1)O)O,1
-kazius_113163-21-6,O[C@@H]1C=Cc2c([C@H]1O)ccc1c2nccc1,1
-kazius_96-17-3,C[C@H](C=O)CC,0
-kazius_121-50-6,Clc1ccc(cc1N)C(F)(F)F,0
-kazius_23214-92-8,OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@H]([C@@H](O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC,1
-kazius_23740-25-2,COc1ccc2-c3c4OCOc4cc4c3c(C(=O)c2c1)ncc4,1
-kazius_97055-37-3,ClC(C(=C(C(=O)O)Cl)C(Cl)Cl)Cl,1
-kazius_95152-79-7,Cc1cn2c(s1)nc(c2[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],1
-kazius_3722-54-1,COc1cc(OC)c2c(c1)oc1c(c2=O)cc(cc1)OC,1
-kazius_75-50-3,CN(C)C,0
-kazius_1734-79-8,O=C/C=C/c1ccc(cc1)[N+](=O)[O-],1
-kazius_768-52-5,CC(Nc1ccccc1)C,0
-kazius_64896-26-0,OC(=O)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)O,0
-kazius_80-09-1,Oc1ccc(cc1)S(=O)(=O)c1ccc(cc1)O,0
-kazius_105708-80-3,OS(=O)(=O)O.OCc1c2ccc3c(c2cc2c1cccc2)cccc3.[Na+],1
-kazius_7570-36-7,Nc1ccc(cc1)/C=C/c1ccc(cc1)Cl,1
-kazius_121-69-7,CN(c1ccccc1)C,0
-kazius_3366-65-2,Nc1ccc2c(c1)ccc1c2cccc1,1
-kazius_7379-35-3,Clc1ccncc1,0
-kazius_75-69-4,FC(Cl)(Cl)Cl,0
-kazius_98911-07-0,ON(c1ccc(cc1)Oc1ccc(cc1)Cl)C(=O)C,1
-kazius_2272-11-9,CCCCCCCC/C=C/CCCCCCCC(=O)O.NCCO,0
-kazius_816-57-9,CCCN(C(=O)N)N=O,1
-kazius_82017-48-9,OC(=O)[C@@H]1CSSC(C(=O)N1)(C)C,0
-kazius_214-17-5,c1ccc2c(c1)cc1c(c2)c2ccc3c(c2cc1)cccc3,0
-kazius_3365-85-3,Nc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N,1
-kazius_835-71-2,Cc1ccc(cc1)c1nc2c(o1)cccc2,0
-kazius_53-96-3,CC(=O)Nc1ccc2-c3c(Cc2c1)cccc3,1
-kazius_105361-86-2,O=Nc1cccc(c1)c1ccccc1,1
-kazius_106589-49-5,C1C=Cc2c(C1)ccc1c2cc2c(n1)ccc1c2cccc1,1
-kazius_82-05-3,O=C1c2ccccc2-c2c3c1cccc3ccc2,1
-kazius_68931-03-3,CCCCCCCOc1ccccc1NC(=O)O[C@@H](CN(CC)CC)C.Cl,0
-kazius_20265-97-8,COc1ccc(cc1)N.Cl,1
-kazius_2757-90-6,OCc1ccc(cc1)NNC(=O)CC[C@@H](C(=O)O)N,1
-kazius_13014-18-1,Clc1ccc(c(c1)Cl)C(Cl)(Cl)Cl,1
-kazius_128-13-2,O[C@@H]1CC[C@]2([C@@H](C1)C[C@@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C,0
-kazius_56-72-4,CCOP(=S)(Oc1ccc2c(c1)oc(=O)c(c2C)Cl)OCC,0
-kazius_1198-61-4,Fc1c(F)c(F)c(c(c1Cl)F)Cl,0
-kazius_824-94-2,ClCc1ccc(cc1)OC,0
-kazius_603-87-2,[O-][N+](=O)c1cccc(c1O)N,0
-kazius_50-35-1,O=C1CC[C@H](C(=O)N1)N1C(=O)c2c(C1=O)cccc2,0
-kazius_618-39-3,NC(=N)c1ccccc1,0
-kazius_2244-16-8,CC(=C)[C@@H]1CC=C(C(=O)C1)C,0
-kazius_70021-98-6,[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,1
-kazius_97851-14-4,[O-][N+](=O)c1cccc(c1)c1ccc(c(c1)[N+](=O)[O-])O,1
-kazius_89811-25-6,CC(CNC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,1
-kazius_156-25-2,CN(c1ccc(cc1)/N=N/c1cccnc1)C,0
-kazius_106-47-8,Nc1ccc(cc1)Cl,1
-kazius_532-27-4,ClCC(=O)c1ccccc1,0
-kazius_18810-04-3,N[C@H](C(=O)O)CCCCNC[C@@H](C(=O)O)N,0
-kazius_394-69-4,Fc1cccc2c1cccn2,1
-kazius_18296-44-1,CC(=O)OCC1=CO[C@H]([C@H]2C1=C[C@@H]([C@]12OC1)OC(=O)CC(C)C)OC(=O)CC(C)C,1
-kazius_1694-20-8,[O-][N+](=O)c1ccc(cc1)/C=C/c1ccccc1,1
-kazius_20702-77-6,OC[C@H]1O[C@@H](Oc2cc(O)c(c(c2)O)C(=O)CCc2ccc(c(c2)O)OC)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O,0
-kazius_69866-21-3,COc1c(O)c2N(CCc2c2c1[nH]c(c2)C(=O)N1C[C@@H]2[C@]3(C1=CC(=O)c1c3c(C)c[nH]1)C2)C(=O)c1cc2c([nH]1)c(OC)c(c1c2CCN1C(=O)N)O,0
-kazius_150-90-3,OC(=O)CCC(=O)O.[Na+].[Na+],0
-kazius_89641-97-4,[O-][N+](=O)c1cccc2c1snc2,1
-kazius_456-27-9,N#[N+]c1ccc(cc1)[N+](=O)[O-],1
-kazius_80657-17-6,O=C1CCC2=C3C=C[C@]4([C@H]([C@@H]3CCC2=C1)CC[C@@H]4O)C,0
-kazius_59-67-6,OC(=O)c1cccnc1,0
-kazius_1155-38-0,Cc1c2[C@H]3O[C@H]3c3c(-c2cc2c1cccc2)cccc3,1
-kazius_603-02-1,[O-][N+](=O)c1ccc(c(c1C)[N+](=O)[O-])C,1
-kazius_104-87-0,O=Cc1ccc(cc1)C,0
-kazius_73-24-5,Nc1ncnc2c1nc[nH]2,1
-kazius_99-48-9,CC(=C)[C@@H]1CC=C([C@H](C1)O)C,0
-kazius_148-24-3,Oc1cccc2c1nccc2,1
-kazius_286-99-7,C1CCCCC[C@H]2[C@H](CCCC1)O2,0
-kazius_555-16-8,O=Cc1ccc(cc1)[N+](=O)[O-],1
-kazius_102-06-7,N=C(Nc1ccccc1)Nc1ccccc1,1
-kazius_78-81-9,NCC(C)C,0
-kazius_101901-07-9,CC[C@]1(OCCc2c1[nH]c1c2ccc(c1CC)O)CC(=O)O,1
-kazius_623-15-4,CC(=O)/C=C/c1ccco1,0
-kazius_303-45-7,O=Cc1c(O)c(O)c(c2c1c(O)c(c(c2)C)c1c(C)cc2c(c1O)c(C=O)c(c(c2C(C)C)O)O)C(C)C,0
-kazius_41340-36-7,OCCc1c[nH]c2c1cccc2CC,0
-kazius_1506-02-1,C[C@H]1CC(C)(C)c2c(C1(C)C)cc(c(c2)C(=O)C)C,0
-kazius_81-61-8,Oc1c(O)ccc2c1C(=O)c1c(C2=O)c(O)ccc1O,1
-kazius_42978-43-8,CC(=O)OCc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,1
-kazius_117-79-3,Nc1ccc2c(c1)C(=O)c1c(C2=O)cccc1,1
-kazius_68603-42-9,CCCCCCCCCCCC(=O)N(CCO)CCO,0
-kazius_61499-28-3,O=NN(CC(=O)C)C[C@H](O)C,1
-kazius_130933-91-4,O[C@@H]1[C@@H]2O[C@@H]2c2c([C@H]1O)ccc1c2cc2cccc3c2c1C=C3,1
-kazius_63358-49-6,CN[C@@H](C(=O)N([C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)[C@H](c1ccc(cc1)O)C(=O)N)CC(=O)O,0
-kazius_52315-07-8,N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H]1[C@H](C1(C)C)C=C(Cl)Cl,0
-kazius_1904-98-9,Nc1nc(N)c2c(n1)[nH]cn2,0
-kazius_16051-77-7,[O-][N+](=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2O,0
-kazius_2835-39-4,C=CCOC(=O)CC(C)C,0
-kazius_1551-44-6,CCCC(=O)OC1CCCCC1,0
-kazius_95741-57-4,Cc1cc2cccc3-c4c(-c(c1)c23)cc1ccccc1c4,1
-kazius_23452-05-3,COc1cc(O)c2c(c1)c1c(C)cc(cc1oc2=O)O,0
-kazius_29852-26-4,ClCc1cc2cccc3c2c2c1cc1ccccc1c2cc3,1
-kazius_20927-95-1,[O-][N+](=O)c1ccc2c(c1)c1ccccc1o2,1
-kazius_3764-01-0,Clc1cc(Cl)nc(n1)Cl,0
-kazius_84-56-0,c1ccc2c(c1)cc1c(c2)c2ncccc2cc1,1
-kazius_119-75-5,[O-][N+](=O)c1ccccc1Nc1ccccc1,0
-kazius_82789-18-2,OC(=O)[C@@H]1N[C@@H](c2ccccc2)c2c(C1)c1ccccc1[nH]2,0
-kazius_109-78-4,OCCC#N,0
-kazius_66789-78-4,CC(C[C@@H](C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl)C,0
-kazius_771-97-1,Nc1cc2ccccc2cc1N,1
-kazius_133-32-4,OC(=O)CCCc1c[nH]c2c1cccc2,0
-kazius_635-27-8,Clc1cccc2c1cccn2,1
-kazius_152-20-5,COP(=O)(SC)OC,0
-kazius_3648-20-2,CCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCC,0
-kazius_31431-39-7,COC(=O)Nc1[nH]c2c(n1)cc(cc2)C(=O)c1ccccc1,1
-kazius_17241-59-7,OCc1ccc2c(c1)C(=O)c1c(C2=O)cccc1,0
-kazius_96-23-1,ClCC(CCl)O,1
-kazius_74014-51-0,O=CC[C@H]1C[C@@H](C)[C@H](O)/C=C/C=C/C[C@H](OC(=O)C[C@@H]([C@@H]([C@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@@H]([C@H]1O)N(C)C)O[C@@H]1O[C@H](C)[C@H]([C@](C1)(C)OC(=O)CC)OC(=O)CCC)OC)O)C,0
-kazius_7226-23-5,O=C1N(C)CCCN1C,0
-kazius_52-86-8,Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl,0
-kazius_92-67-1,Nc1ccc(cc1)c1ccccc1,1
-kazius_874-42-0,O=Cc1ccc(cc1Cl)Cl,0
-kazius_117823-31-1,O=C/C(=C(/C(=O)O)\Cl)/C(Cl)Cl,1
-kazius_7496-02-8,[O-][N+](=O)c1cc2c(c3c1cccc3)ccc1c2cccc1,1
-kazius_732-11-6,COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC,1
-kazius_106807-80-1,CNC(=O)N(C(=O)C)O,1
-kazius_65734-38-5,OCc1ccc(cc1)NNC(=O)C,1
-kazius_638-03-9,Cc1cccc(c1)N.Cl,0
-kazius_148-79-8,c1scc(n1)c1nc2c([nH]1)cccc2,1
-kazius_464-43-7,O[C@@H]1C[C@H]2C([C@]1(C)CC2)(C)C,0
-kazius_1774-66-9,Brc1ccc(cc1)/C=C/C(=O)c1ccccc1,0
-kazius_4016-11-9,CCOC[C@H]1CO1,1
-kazius_999-55-3,C=CCOC(=O)C=C,0
-kazius_646-14-0,CCCCCC[N+](=O)[O-],0
-kazius_33804-48-7,CC(=O)N(c1ccc(cc1)/N=N/c1ccc(cc1)N(C)C)C,1
-kazius_121-75-5,CCOC(=O)C[C@@H](C(=O)OCC)SP(=S)(OC)OC,0
-kazius_80-15-9,OOC(c1ccccc1)(C)C,1
-kazius_150-60-7,S(Cc1ccccc1)SCc1ccccc1,1
-kazius_4437-51-8,CCC(=O)C(=O)CC,1
-kazius_75-75-2,CS(=O)(=O)O,0
-kazius_4332-51-8,ClCCSCc1ccccc1,1
-kazius_2051-10-7,O=C1c2ccccc2-c2c(C1=O)c1ccccc1cc2,0
-kazius_38915-58-1,ClCCNCCCNc1c2ccccc2nc2c1ccc1c2nccc1.Cl.Cl,1
-kazius_10453-89-1,CC(=C[C@H]1[C@H](C1(C)C)C(=O)O)C,0
-kazius_55256-53-6,Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)[C@]1(O)C=CO[C@@H]1O2)CCC(O)(C)C,1
-kazius_461-58-5,NC(=N)NC#N,1
-kazius_580-15-4,Nc1ccc2c(c1)cccn2,0
-kazius_78-51-3,CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC,0
-kazius_2657-25-2,Oc1ccc(cc1)C(=O)/C=C/c1ccccc1,0
-kazius_74-95-3,BrCBr,1
-kazius_619-25-0,OCc1cccc(c1)[N+](=O)[O-],0
-kazius_72-14-0,Nc1ccc(cc1)S(=O)(=O)Nc1nccs1,0
-kazius_7203-89-6,Cc1ccc(cc1)/N=N/N(C)C,1
-kazius_112022-09-0,CN(CCNC(=O)c1cccn2c1nc1ccccc1c2=O)C,1
-kazius_51410-45-8,COc1ccc(cc1)C[C@@H]1OC1,1
-kazius_1769-41-1,O/N=C/C(=O)Nc1ccccc1,0
-kazius_142713-65-3,COc1cc(CNC(=O)[C@H](Br)C)ccc1OC,1
-kazius_13014-24-9,Clc1ccc(cc1Cl)C(Cl)(Cl)Cl,1
-kazius_1107-26-2,O=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C)/C)/C,0
-kazius_1594-56-5,N#CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],1
-kazius_499-75-2,CC(c1ccc(c(c1)O)C)C,0
-kazius_553-26-4,n1ccc(cc1)c1ccncc1,1
-kazius_37364-66-2,OC[C@@H]1O[C@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)O)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@H]1O)O)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O,0
-kazius_110-13-4,CC(=O)CCC(=O)C,0
-kazius_100-16-3,NNc1ccc(cc1)[N+](=O)[O-],1
-kazius_54-16-0,OC(=O)Cc1c[nH]c2c1cc(O)cc2,0
-kazius_125974-06-3,O[C@@H]1OC(=O)C=C1CCl,1
-kazius_6197-30-4,CCCC[C@H](COC(=O)C(=C(c1ccccc1)c1ccccc1)C#N)CC,0
-kazius_2475-45-8,O=C1c2c(N)ccc(c2C(=O)c2c1c(N)ccc2N)N,1
-kazius_6237-24-7,CN(CCCNc1c2ccccc2nc2c1ccc(c2)[N+](=O)[O-])C,1
-kazius_1162-65-8,COc1cc2O[C@@H]3[C@H](c2c2c1c1CCC(=O)c1c(=O)o2)C=CO3,1
-kazius_148193-33-3,COc1nsc2c1ccc(c2)N,1
-kazius_75-09-2,ClCCl,1
-kazius_577-71-9,Oc1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-],1
-kazius_51568-18-4,OC(=O)CCC(=O)CC(=O)C,0
-kazius_420-12-2,S1CC1,1
-kazius_496-14-0,O1Cc2c(C1)cccc2,1
-kazius_65271-80-9,OCCNCCNc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)NCCNCCO,1
-kazius_96563-08-5,Cc1cccc2c1-c1ccccc1[C@@H]2C,1
-kazius_331-39-5,OC(=O)/C=C/c1ccc(c(c1)O)O,0
-kazius_130-26-7,Ic1cc(Cl)c2c(c1O)nccc2,0
-kazius_146795-46-2,O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1[N+](=O)[O-],1
-kazius_99-54-7,[O-][N+](=O)c1ccc(c(c1)Cl)Cl,1
-kazius_135086-92-9,O=c1n(/N=C/c2ccccc2)nnc2c1[nH]c1c2cccc1,1
-kazius_38083-17-9,Clc1ccc(cc1)O[C@@H](C(=O)C(C)(C)C)n1cncc1,0
-kazius_963-89-3,Cc1ccc2c(c1)c(C)c1c(n2)c2ccccc2cc1,1
-kazius_610-48-0,Cc1cccc2c1cc1ccccc1c2,0
-kazius_149-29-1,O=C1OC2=CCO[C@H](C2=C1)O,0
-kazius_215-58-7,c1ccc2c(c1)cc1c(c2)c2ccccc2c2c1cccc2,1
-kazius_58086-32-1,COC(=O)c1cccc2c1c(=O)c1c(o2)c2c(cc1OC)O[C@H]1[C@H]2C=CO1,1
-kazius_641-38-3,Oc1cc(C)c2c(c1)oc(=O)c1c2cc(O)cc1O,0
-kazius_27532-75-8,Cc1ccc2c(c1)c(C)c1c(c2)cccc1,1
-kazius_2358-84-1,O=C(C(=C)C)OCCOCCOC(=O)C(=C)C,0
-kazius_123-05-7,CCCC[C@H](C=O)CC,0
-kazius_15176-29-1,OC[C@H]1O[C@H](C[C@H]1O)n1cc(CC)c(=O)[nH]c1=O,0
-kazius_58-93-5,Clc1cc2NCNS(=O)(=O)c2cc1S(=O)(=O)N,0
-kazius_89-83-8,Cc1ccc(c(c1)O)C(C)C,0
-kazius_2457-47-8,Clc1cncc(c1)Cl,0
-kazius_129018-59-3,Cn1c2cc(cnc2nc1[N+](=O)[O-])c1ccccc1,1
-kazius_73-49-4,CC[C@@H]1NC(=O)c2c(N1)cc(c(c2)S(=O)(=O)N)Cl,0
-kazius_655-86-7,Nc1cc2nc3ccccc3nc2cc1N,1
-kazius_109143-18-2,ClCCN(c1ccc(c2c1oc(c2)[N+](=O)[O-])OC)CCCl,1
-kazius_6203-18-5,O=C/C=C/c1ccc(cc1)N(C)C,0
-kazius_318-98-9,O[C@@H](COc1cccc2c1cccc2)CNC(C)C,0
-kazius_286-20-4,C1CC[C@H]2[C@@H](C1)O2,1
-kazius_100-52-7,O=Cc1ccccc1,0
-kazius_56355-17-0,OC(=O)[C@H](c1ccc(cc1)Oc1nccs1)C,0
-kazius_20020-02-4,Clc1c(Cl)c(Cl)c(c2c1cccc2)Cl,0
-kazius_151378-34-6,O[C@@H]1[C@@H]2O[C@@H]2c2c([C@H]1O)ccc1-c3c4c(-c21)cccc4ccc3,1
-kazius_129927-37-3,CCNCC#CC(OC(=O)[C@@](c1ccccc1)(C1CCCCC1)O)(C)C.Cl,0
-kazius_2403-28-3,O=C(c1ccccc1)/C=C/c1ccc(cc1)c1ccccc1,0
-kazius_60-93-5,C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](c1ccnc2c1cc(OC)cc2)O.Cl.Cl,0
-kazius_626-16-4,ClCc1cccc(c1)CCl,0
-kazius_542-85-8,CCN=C=S,0
-kazius_3114-70-3,N[C@@H]1CC[C@H](CC1)N,0
-kazius_120404-26-4,OCCNc1ccc(cc1)/N=N/c1ccc(cc1)NCCO,1
-kazius_1806-29-7,Oc1ccccc1c1ccccc1O,0
-kazius_3671-78-1,O=C(c1ccccc1)Nc1ccc2-c3c(Cc2c1)cccc3,1
-kazius_58-27-5,O=C1C=C(C)C(=O)c2c1cccc2,1
-kazius_811-97-2,FCC(F)(F)F,0
-kazius_26002-80-2,CC(=C[C@H]1[C@@H](C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)C,1
-kazius_113393-59-2,OCc1ccc2-c1cc(ccc2C)C(=C)C,1
-kazius_6051-98-5,O=C1c2ccccc2-c2c1ccc1c2cccc1,1
-kazius_66194-68-1,CC[C@H](OS(=O)(=O)C)C,1
-kazius_98-08-8,FC(c1ccccc1)(F)F,0
-kazius_75464-11-8,CCCC(=O)C1c2cccc(c2C(=O)c2c1cccc2O)O,1
-kazius_66267-19-4,O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccc3c(c2c1)cccc3,1
-kazius_35287-69-5,COC(=O)[C@]12Oc3ccc(c(c3C(=O)C2=C(C[C@H]([C@H]1O)C)O)O)c1ccc2c(c1O)C(=O)C1=C(O)C[C@H]([C@H]([C@]1(O2)C(=O)OC)O)C,0
-kazius_2783-94-0,Oc1ccc2c(c1/N=N/c1ccc(cc1)S(=O)(=O)O)ccc(c2)S(=O)(=O)O.[Na+].[Na+],0
-kazius_16048-37-6,N#[N+]c1cccc2c1C(=O)c1c(C2=O)cccc1.Cl,1
-kazius_2461-43-0,c1ccc(cc1)Cc1ccccc1OC[C@H]1CO1,1
-kazius_2693-46-1,Nc1ccc2-c3c(-c4c2c1ccc4)cccc3,1
-kazius_5422-34-4,OCCNC(=O)[C@H](O)C,1
-kazius_106-23-0,O=CC[C@H](CCC=C(C)C)C,0
-kazius_94055-76-2,Cc1ccc(cc1)S(=O)(=O)O.CCOC[C@H](COc1ccc(cc1)NC(=O)CC[S+](C)C)O,0
-kazius_555-77-1,ClCCN(CCCl)CCCl,0
-kazius_13345-62-5,ClCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,1
-kazius_589-17-3,ClCc1ccc(cc1)Br,0
-kazius_522-06-5,COc1c2OCOc2cc2c1nc1occc1c2OC,1
-kazius_1768-31-6,ClC(C(=O)C(Cl)(Cl)Cl)Cl,1
-kazius_153954-29-1,OCc1cc2ncc(nc2c2c1n(C)c(n2)N)C,1
-kazius_2404-44-6,CCCCCCCC[C@H]1CO1,0
-kazius_91-93-0,O=C=Nc1ccc(cc1OC)c1ccc(c(c1)OC)N=C=O,1
-kazius_40568-90-9,Cc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,1
-kazius_96-48-0,O=C1CCCO1,0
-kazius_3268-87-9,Clc1c2Oc3c(Oc2c(c(c1Cl)Cl)Cl)c(Cl)c(c(c3Cl)Cl)Cl,0
-kazius_82486-82-6,CCCCN([N+](=O)[O-])CCO[N+](=O)[O-],1
-kazius_617-35-6,CCOC(=O)C(=O)C,0
-kazius_683-51-2,ClC(=C)C=O,1
-kazius_111-84-2,CCCCCCCCC,0
-kazius_517-66-8,COc1cc2-c3c4OCOc4cc4c3[C@@H](Cc2cc1OC)N(C)CC4,1
-kazius_13676-54-5,O=C1C=CC(=O)N1c1ccc(cc1)Cc1ccc(cc1)N1C(=O)C=CC1=O,0
-kazius_71708-92-4,CC(=O)N(c1ccc(cc1)Oc1ccccc1)O,1
-kazius_552-16-9,[O-][N+](=O)c1ccccc1C(=O)O,1
-kazius_134998-79-1,[O-][N+](=O)c1cc2cccc3c2c2c1cccc2c1c3CCCC1,1
-kazius_90147-21-0,CC(OC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,1
-kazius_1732-29-2,Oc1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],1
-kazius_95-68-1,Cc1ccc(c(c1)C)N,1
-kazius_27729-98-2,Fc1ccc(cc1)[C@@H]1O[C@H]1C(=O)c1ccccc1,0
-kazius_119-15-3,Oc1ccc(cc1)Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],1
-kazius_622-96-8,CCc1ccc(cc1)C,0
-kazius_286-75-9,C1C[C@@H]2O[C@H]2CC[C@@H]2[C@H]1O2,0
-kazius_881-03-8,[O-][N+](=O)c1c(C)ccc2c1cccc2,1
-kazius_100310-95-0,O[C@H]1C=Cc2c([C@@H]1O)cc1-c3cccc4c3c(-c1c2)ccc4,1
-kazius_591-17-3,Cc1cccc(c1)Br,0
-kazius_1466-88-2,O=C/C=C/c1ccccc1[N+](=O)[O-],1
-kazius_2212-67-1,CCSC(=O)N1CCCCCC1,0
-kazius_103-83-3,CN(Cc1ccccc1)C,0
-kazius_108618-29-7,N#Cc1ccc(cc1)/C=C/c1ccc(cc1)N,1
-kazius_62-23-7,OC(=O)c1ccc(cc1)[N+](=O)[O-],1
-kazius_98736-49-3,O=NN(Cc1cccc(c1)C#N)C,1
-kazius_108-38-3,Cc1cccc(c1)C,0
-kazius_101-02-0,c1ccc(cc1)OP(Oc1ccccc1)Oc1ccccc1,0
-kazius_156-59-2,Cl/C=C\Cl,0
-kazius_155379-82-1,Nc1cc(C)c(c(c1)[N+](=O)[O-])N,1
-kazius_5908-27-0,O=C1C(=O)C=C(c2c1cccc2)S(=O)(=O)O,1
-kazius_14064-58-5,COc1cccc(c1)/C=C/c1ccc(cc1)[N+](=O)[O-],1
-kazius_2687-41-4,CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)N,1
-kazius_518-82-1,Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)O,1
-kazius_624-92-0,CSSC,0
-kazius_5667-20-9,ONc1ncnc2c1nc[nH]2,1
-kazius_159092-80-5,[O-][N+](=O)c1ccc2c(c1)c(cc1c2c(ccc1)[N+](=O)[O-])[N+](=O)[O-],1
-kazius_764-42-1,N#C/C=C/C#N,0
-kazius_28657-80-9,CCn1nc(C(=O)O)c(=O)c2c1cc1OCOc1c2,1
-kazius_100-22-1,CN(c1ccc(cc1)N(C)C)C,1
-kazius_67-99-2,OC[C@@]12SS[C@@]3(N(C1=O)[C@@H]1[C@@H](O)C=CC=C1C3)C(=O)N2C,0
-kazius_102873-32-5,[O-][N+](=O)c1cc(ccc1c1cccc(c1)[N+](=O)[O-])[N+](=O)[O-],1
-kazius_505-70-4,OC(=O)/C=C/C=C/C(=O)O,0
-kazius_126-72-7,BrC[C@H](COP(=O)(OC[C@@H](CBr)Br)OC[C@@H](CBr)Br)Br,1
-kazius_621-31-8,CCNc1cccc(c1)O,1
-kazius_26946-33-8,Nc1ccc(c(c1)[N+](=O)[O-])Cc1ccc(cc1[N+](=O)[O-])N,1
-kazius_611-34-7,Nc1cccc2c1cccn2,1
-kazius_16650-32-1,Fc1ccc(c2c1nccc2)F,1
-kazius_1214-32-0,Nc1ccc2-c3c(Cc2c1)cc(cc3)[N+](=O)[O-],1
-kazius_78111-17-8,CC1=C[C@]2(O[C@@H](C1)[C@@H](/C=C/[C@H]1CC[C@]3(O1)CC[C@@H]1[C@@H](O3)[C@H](O)C(=C)[C@H](O1)[C@H](C[C@@H]([C@H]1O[C@@]3(CCCCO3)CC[C@H]1C)C)O)C)O[C@@H](CC[C@@H]2O)C[C@](C(=O)O)(O)C,0
-kazius_107673-63-2,[O-][N+](=O)C1=Cc2c3c1cccc3cc1c2ccc2c1cccc2,1
-kazius_50935-04-1,N[C@@H]1C[C@@H](O[C@@H]([C@H]1O)C)O[C@@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(O)ccc2)C(=O)C,1
-kazius_129401-88-3,C=CC(=O)N1CCN(CC1)c1ccccc1,0
-kazius_123-11-5,COc1ccc(cc1)C=O,0
-kazius_103-17-3,Clc1ccc(cc1)SCc1ccc(cc1)Cl,0
-kazius_319-84-6,Cl[C@@H]1[C@H](Cl)[C@H](Cl)[C@H]([C@H]([C@H]1Cl)Cl)Cl,0
-kazius_5234-68-4,O=C(C1=C(C)OCCS1)Nc1ccccc1,0
-kazius_2597-03-7,CCOC(=O)[C@@H](c1ccccc1)SP(=S)(OC)OC,0
-kazius_333-41-5,CCOP(=S)(Oc1cc(C)nc(n1)C(C)C)OCC,0
-kazius_59804-37-4,O=C(C1=C(O)c2sccc2S(=O)(=O)N1C)Nc1ccccn1,0
-kazius_56438-59-6,COc1ccc(cc1)CC[C@@H]1OC1,1
-kazius_298-02-2,CCSCSP(=S)(OCC)OCC,0
-kazius_96014-36-7,[O-][N+](=O)c1c(N)ccc2c1c1ccccc1[nH]2,1
-kazius_112-34-5,CCCCOCCOCCO,0
-kazius_1319-77-3,Cc1ccccc1O.Cc1cccc(c1)O.Cc1ccc(cc1)O,0
-kazius_129117-54-0,COc1ccc2c(c1)c1c(C)c(N)cc(c1[nH]2)C,1
-kazius_21711-71-7,O=Nc1ccccc1c1ccccc1,1
-kazius_91-63-4,Cc1ccc2c(n1)cccc2,1
-kazius_113163-22-7,O[C@@H]1[C@@H]2O[C@@H]2c2c([C@H]1O)ccc1c2nccc1,1
-kazius_96-18-4,ClCC(CCl)Cl,1
-kazius_105-13-5,OCc1ccc(cc1)OC,0
-kazius_97055-38-4,CO[C@@H]1OC(=O)C(=C1C(Cl)Cl)Cl,1
-kazius_1711-06-4,Cc1cccc(c1)C(=O)Cl,1
-kazius_106636-46-8,O=Nc1c(nc2n1cc(s2)C)c1ccc(cc1)[N+](=O)[O-],1
-kazius_120-71-8,COc1ccc(cc1N)C,1
-kazius_7570-37-8,COc1ccc(cc1)/C=C/c1ccc(cc1)N,1
-kazius_22788-18-7,ClCCN([P@@](=O)(OCCC(=O)O)N)CCCl,1
-kazius_551-06-4,S=C=Nc1cccc2c1cccc2,1
-kazius_480-22-8,Oc1cccc2c1c(O)c1c(c2)cccc1O,0
-kazius_21739-91-3,COc1ccc(cc1)/C(=C\C(=O)O)/Br.[Na+],1
-kazius_5862-77-1,CCOc1ccc(cc1N)N,1
-kazius_1591-56-6,CC(=O)Nc1ccc(cc1)/N=N/c1ccc(cc1)N(C)C,1
-kazius_98911-08-1,Clc1ccc(c(c1)Cl)Oc1ccc(cc1)N(C(=O)C)O,1
-kazius_108354-48-9,Nc1nc2c(n1C)c(C)cc1c2nccn1,1
-kazius_145-39-1,Cc1c(C)c([N+](=O)[O-])c(c(c1C)[N+](=O)[O-])C(C)(C)C,0
-kazius_464-10-8,BrC([N+](=O)[O-])(Br)Br,1
-kazius_33372-39-3,OCCN(c1nc(nc2c1cccc2)c1ccc(s1)[N+](=O)[O-])CCO,1
-kazius_109883-99-0,O=CC1=C[C@@]2(O)CC(CC2[C@]23[C@@]1(C2)[C@H](O)OC3=O)(C)C,1
-kazius_123-66-0,CCCCCC(=O)OCC,0
-kazius_16582-03-9,Nc1cccc2c1nc1cccc(c1n2)N,1
-kazius_134109-03-8,O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccccc2c1Cl,1
-kazius_60768-66-3,[O-][N+](=O)c1ccc2c(c1)cns2,1
-kazius_57404-88-3,O[C@H]1C=Cc2c([C@@H]1O)cc1c3c2ccc2c3c(cc1)ccc2,1
-kazius_96-54-8,Cn1cccc1,0
-kazius_159092-69-0,[O-][N+](=O)c1ccc2c(c1)ccc1c2cc(cc1)[N+](=O)[O-],1
-kazius_70021-99-7,[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,1
-kazius_532-28-5,O[C@@H](c1ccccc1)C#N,0
-kazius_14191-22-1,[O-][N+](=O)c1ccc2c(c1)[nH]c1c2cccc1,1
-kazius_122547-49-3,C[C@H]([C@H]1C(=O)N2[C@H]1SC(=C2C(=O)O)[C@H]1CCCO1)O.[Na+],0
-kazius_99-30-9,[O-][N+](=O)c1cc(Cl)c(c(c1)Cl)N,1
-kazius_80-46-6,CCC(c1ccc(cc1)O)(C)C,0
-kazius_50-70-4,OC[C@H]([C@H]([C@@H]([C@H](CO)O)O)O)O,0
-kazius_108-44-1,Cc1cccc(c1)N,0
-kazius_2257-09-2,S=C=NCCc1ccccc1,1
-kazius_104-88-1,O=Cc1ccc(cc1)Cl,0
-kazius_344-07-0,Fc1c(F)c(F)c(c(c1F)Cl)F,0
-kazius_27730-03-6,O=C(c1ccccc1)[C@@H]1O[C@H]1c1ccc(cc1)[N+](=O)[O-],0
-kazius_127128-50-1,CC/C=C/C=C/C=C/C=C/OC[C@@H](CO)O,1
-kazius_102-07-8,O=C(Nc1ccccc1)Nc1ccccc1,0
-kazius_809-73-4,CC(C1=C/C(=C/C=C/2\C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)/C=C(C1=O)C(C)(C)C)(C)C,0
-kazius_101901-08-0,CC[C@]1(OCCc2c1[nH]c1c2cccc1[C@H](O)C)CC(=O)O,0
-kazius_132742-01-9,[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)C=CCC2,1
-kazius_120812-50-2,[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1c1CCCCc1c1c3c(cc2)ccc1,1
-kazius_699-18-3,[O-][N+](=O)/C=C/c1ccco1,0
-kazius_523-47-7,CC1=CC[C@H]2[C@H](C1)[C@@H](CC=C2C)C(C)C,0
-kazius_3958-60-9,BrCc1ccccc1[N+](=O)[O-],0
-kazius_18172-67-3,C=C1CC[C@H]2C[C@@H]1C2(C)C,0
-kazius_75-21-8,O1CC1,1
-kazius_32341-80-3,C[C@H](CN(C[C@H](O)C)C[C@H](O)C)O.OC(=O)COc1ccc(cc1Cl)Cl,0
-kazius_1088-56-8,Cc1cc2nc3-c(n(c2cc1C)C)nc(=O)[nH]c3=O,1
-kazius_104-03-0,OC(=O)Cc1ccc(cc1)[N+](=O)[O-],1
-kazius_63017-87-8,[O-][N+](=O)c1ccc2c(c1C)cccc2,1
-kazius_100-47-0,N#Cc1ccccc1,0
-kazius_26541-56-0,CC(=O)ON(c1ccc(cc1)c1ccccc1)C(=O)C,1
-kazius_130933-92-5,c1cc2C=Cc3c2c(c1)cc1c3ccc2c1C=C[C@@H]1[C@H]2O1,1
-kazius_80-82-0,[O-][N+](=O)c1ccccc1S(=O)(=O)O,0
-kazius_21919-05-1,NC(=O)c1cc(N2CC2)c(cc1[N+](=O)[O-])[N+](=O)[O-],1
-kazius_3234-02-4,OC/C(=C(/CO)\Br)/Br,1
-kazius_2980-32-7,Oc1cc(O)c2c(c1)oc1c(c2=O)c(O)ccc1O,1
-kazius_71400-33-4,[O-][N+](=O)c1ccc2c(c1)Oc1c(O2)cc(cc1)[N+](=O)[O-],1
-kazius_121153-49-9,O[C@@H]1C=C[C@@H]2[C@H]([C@H]1O)O2,1
-kazius_103-23-1,CCCC[C@H](COC(=O)CCCCC(=O)OC[C@@H](CCCC)CC)CC,0
-kazius_18699-02-0,OC(=O)Cc1ccc(cc1)NC(=O)C,0
-kazius_123447-62-1,O=c1oc(c(o1)CN1CCN(CC1)c1cc2c(cc1F)c(=O)c(c1n2[C@H](C)S1)C(=O)O)C,0
-kazius_57781-14-3,CC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2C[C@H](C2=CC(=O)C(=C[C@]12C)Br)F)F)C(=O)COC(=O)C,0
-kazius_115314-17-5,[O-][N+](=O)c1cccc(c1)S(=O)(=O)OC[C@H]1CO1,1
-kazius_67-20-9,O=C1NC(=O)N(C1)/N=C/c1ccc(o1)[N+](=O)[O-],1
-kazius_2493-84-7,CCCCCCCCOc1ccc(cc1)C(=O)O,0
-kazius_129-73-7,CN(c1ccc(cc1)C(c1ccc(cc1)N(C)C)c1ccccc1)C,0
-kazius_670-54-2,N#CC(=C(C#N)C#N)C#N,0
-kazius_104953-00-6,N#Cc1ccc(cc1)[C@]1(C)OC1,1
-kazius_113600-17-2,Fc1cccc2c1cc1-c3cccc4c3c(-c1c2)ccc4,1
-kazius_60827-45-4,OC[C@@H](CCl)O,1
-kazius_118-96-7,[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,1
-kazius_108-99-6,Cc1cccnc1,0
-kazius_33685-60-8,[O-][N+](=O)c1c2ccccc2c(c2c1cccc2)[N+](=O)[O-],0
-kazius_50-06-6,CCC1(C(=O)NC(=O)NC1=O)c1ccccc1,1
-kazius_55-63-0,[O-][N+](=O)OC(CO[N+](=O)[O-])CO[N+](=O)[O-],1
-kazius_3066-70-4,CC(=C)C(=O)OC[C@@H](CBr)Br,1
-kazius_106626-55-5,CN(CCNC(=O)c1cccc2c1cc1ccccc1n2)C,1
-kazius_79305-82-1,Nc1ccc(cc1)/C=C/c1cccc(c1)N,1
-kazius_24325-70-0,Cc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],1
-kazius_38915-40-1,CCCCOc1ccc2c(n1)c(NCCCN(CCCl)CC)c1c(n2)cc(cc1)Cl.Cl.Cl.O,1
-kazius_4643-05-4,OC/C=C/Cl,1
-kazius_92134-96-8,OC[C@H]([C@H]([C@H]([C@H]([C@H]1SCCN1N=O)O)O)O)O,1
-kazius_55965-84-9,Cn1sc(cc1=O)Cl.Cn1sccc1=O,1
-kazius_110-80-5,OCCOCC,0
-kazius_90421-79-7,c1ccc2c(c1)c(OC[C@H]1CO1)ns2,1
-kazius_35077-51-1,CN(c1ccc(cc1)/N=N/c1ccc(cc1)N(C(=O)C)C)C(=O)C,0
-kazius_5296-38-8,O1C[C@@H]1COc1ccc(cc1)Cc1ccccc1,1
-kazius_31464-26-3,CN(c1ccc(cc1)/N=N/c1ccccc1)CCC#N,1
-kazius_131-73-7,[O-][N+](=O)c1cc(cc(c1Nc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],1
-kazius_29964-84-9,CC(CCCCCCCOC(=O)C(=C)C)C,0
-kazius_17573-23-8,C1C=Cc2c(C1)cc1c3c2ccc2c3c(cc1)ccc2,1
-kazius_7696-62-0,CCCCOc1ccc(cc1)N=O,1
-kazius_5447-99-4,CC[C@H]([N+](=O)[O-])[C@H](O)C,0
-kazius_7665-72-7,CC(OC[C@@H]1OC1)(C)C,1
-kazius_74339-98-3,O[C@@H]1C=Cc2c([C@H]1O)cc1c3c2-c2ccccc2-c3cc2c1cccc2,1
-kazius_117467-28-4,CO/N=C(/c1csc(n1)N)\C(=O)N[C@@H]1C(=O)N2[C@H]1SCC(=C2C(=O)OCOC(=O)C(C)(C)C)/C=C\c1scnc1C,0
-kazius_797-63-7,C#C[C@@]1(O)CC[C@@H]2[C@]1(CC)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12,0
-kazius_6281-32-9,OCc1ccnc2c1cccc2,0
-kazius_580-16-5,Oc1ccc2c(c1)cccn2,0
-kazius_2498-75-1,Cc1ccc2c(c1)ccc1c2cc2ccccc2c1,1
-kazius_3244-54-0,[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1[nH]2)[N+](=O)[O-],1
-kazius_17075-03-5,Nc1cc2cccc3c2c2c1cccc2cc3,1
-kazius_74-96-4,CCBr,1
-kazius_503-30-0,C1CCO1,1
-kazius_57835-92-4,[O-][N+](=O)c1cc2cccc3c2c2c1cccc2cc3,1
-kazius_61396-61-0,c1ccc(cc1)c1ccc(cc1)CC[C@@H]1OC1,1
-kazius_7493-63-2,C=CCOC(=O)c1ccccc1N,0
-kazius_504-29-0,Nc1ccccn1,0
-kazius_123-72-8,CCCC=O,0
-kazius_2873-97-4,C=CC(=O)NC(CC(=O)C)(C)C,0
-kazius_24934-91-6,CCOP(=S)(SCCl)OCC,0
-kazius_618-46-2,Clc1cccc(c1)C(=O)Cl,1
-kazius_58775-50-1,CC(=CCc1ccc(c2c1oc1cc3O[C@@H]4[C@@](c3c(c1c2=O)O)(O)C=CO4)O)C,1
-kazius_6334-18-5,O=Cc1cccc(c1Cl)Cl,0
-kazius_112-95-8,CCCCCCCCCCCCCCCCCCCC,0
-kazius_127-47-9,CC(=O)OC/C=C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C)C)/C)/C,0
-kazius_100-17-4,COc1ccc(cc1)[N+](=O)[O-],1
-kazius_68053-32-7,O=CC1=C2CC(C[C@@H]2[C@H]([C@@]2([C@@]1(C=O)C2)C)O)(C)C,1
-kazius_141-04-8,CC(COC(=O)CCCCC(=O)OCC(C)C)C,0
-kazius_105836-99-5,[O-][N+](=O)c1ccc2c(c1)nc1c(n2)c(ccc1)[N+](=O)[O-],1
-kazius_95-80-7,Nc1ccc(c(c1)N)C,1
-kazius_74-11-3,OC(=O)c1ccc(cc1)Cl,0
-kazius_610-30-0,[O-][N+](=O)c1cc(ccc1C(=O)O)[N+](=O)[O-],1
-kazius_80-52-4,C[C@]1(N)CC[C@H](CC1)C(N)(C)C,0
-kazius_2475-46-9,OCCNc1ccc(c2c1C(=O)c1ccccc1C2=O)NC,1
-kazius_115664-49-8,[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c([C@H]3[C@@H]2O3)ccc1,1
-kazius_148193-34-4,COc1nsc2c1cc(OC[C@H]1CO1)cc2,1
-kazius_105-74-8,CCCCCCCCCCCC(=O)OOC(=O)CCCCCCCCCCC,0
-kazius_1070-13-9,CCCC(=C)C=O,1
-kazius_226-36-8,c1ccc2c(c1)c1cc3ccc4c(c3nc1cc2)cccc4,1
-kazius_1817-73-8,[O-][N+](=O)c1cc(Br)c(c(c1)[N+](=O)[O-])N,1
-kazius_556-52-5,OC[C@H]1CO1,1
-kazius_4548-53-2,Cc1cc(C)c(cc1/N=N/c1cc(c2c(c1O)cccc2)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+],0
-kazius_135086-93-0,Clc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,1
-kazius_7119-89-3,ClC([N+](=O)[O-])Cl,1
-kazius_817-99-2,[N-]=[N+]=CC(=O)NCC(=O)N,1
-kazius_73-31-4,COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2,0
-kazius_139-40-2,CC(Nc1nc(NC(C)C)nc(n1)Cl)C,0
-kazius_129-43-1,Oc1cccc2c1C(=O)c1ccccc1C2=O,1
-kazius_99-55-8,[O-][N+](=O)c1ccc(c(c1)N)C,1
-kazius_108-50-9,Cc1cncc(n1)C,1
-kazius_104-94-9,COc1ccc(cc1)N,1
-kazius_610-49-1,Nc1cccc2c1cc1ccccc1c2,1
-kazius_102-13-6,CC(COC(=O)Cc1ccccc1)C,0
-kazius_63390-11-4,Nc1ccc(cc1)c1cc(Cl)c(c(c1)Cl)N,1
-kazius_585-07-9,CC(=C)C(=O)OC(C)(C)C,0
-kazius_19660-16-3,Br[C@H](CBr)COC(=O)C=C,1
-kazius_83504-80-7,O=Nc1ccc(cc1)Sc1ccccc1,1
-kazius_107-70-0,COC(CC(=O)C)(C)C,0
-kazius_609-65-4,ClC(=O)c1ccccc1Cl,1
-kazius_78415-72-2,N#Cc1cc(c2ccncc2)c([nH]c1=O)C,0
-kazius_139-59-3,Nc1ccc(cc1)Oc1ccccc1,1
-kazius_111-30-8,O=CCCCC=O,1
-kazius_33399-00-7,CCOP(=O)(O/C(=C/Br)/c1ccc(cc1Cl)Cl)OCC,0
-kazius_109143-19-3,ClCCN(c1c(OC)ccc2c1cc(o2)[N+](=O)[O-])CCCl,1
-kazius_84174-20-9,COc1ccc(cc1)CN(N=O)C,0
-kazius_106-90-1,C=CC(=O)OC[C@H]1CO1,1
-kazius_13071-79-9,CCOP(=S)(SCSC(C)(C)C)OCC,0
-kazius_95-14-7,c1ccc2c(c1)[nH]nn2,1
-kazius_321-60-8,Fc1ccccc1c1ccccc1,0
-kazius_91-58-7,Clc1ccc2c(c1)cccc2,0
-kazius_34592-47-7,OC(=O)[C@@H]1CSCN1,0
-kazius_2634-33-5,Oc1nsc2c1cccc2,0
-kazius_2008-39-1,OC(=O)COc1ccc(cc1Cl)Cl.CNC,0
-kazius_5064-31-3,OC(=O)CN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Na+],0
-kazius_97509-27-8,O[C@@H]1C=Cc2c([C@H]1O)cc1c(c2[N+](=O)[O-])cccc1,1
-kazius_5355-16-8,COc1cc(ccc1OC)Cc1cnc(nc1N)N,1
-kazius_98451-51-5,OCc1c(N)cccc1[N+](=O)[O-],0
-kazius_626-17-5,N#Cc1cccc(c1)C#N,0
-kazius_28322-02-3,CC(=O)Nc1cccc2c1-c1ccccc1C2,1
-kazius_22181-94-8,CCOC(=O)CNC(=O)CCCCSc1ncnc2c1nc[nH]2,0
-kazius_104-28-9,CCOCCOC(=O)/C=C/c1ccc(cc1)OC,0
-kazius_6341-85-1,C[C@@]1(CO1)[C@H]1CO1,1
-kazius_821-95-4,CCCCCCCCCC=C,0
-kazius_5694-00-8,NC(=O)[C@H]1CO1,1
-kazius_539-21-9,NC(=N)N/N=C/1\C=C/C(=N\NC(=S)N)/C=C1,1
-kazius_123-42-2,CC(=O)CC(O)(C)C,0
-kazius_2912-62-1,Cl[C@@H](c1ccccc1)C(=O)Cl,1
-kazius_538-41-0,Nc1ccc(cc1)/N=N/c1ccc(cc1)N,1
-kazius_67-45-8,O=C1OCCN1/N=C/c1ccc(o1)[N+](=O)[O-],1
-kazius_1007-28-9,CCNc1nc(N)nc(n1)Cl,0
-kazius_105596-42-7,[O-][N+](=O)c1ccc2c3c1ccc1c3c([C@H]3[C@@H]2O3)ccc1,1
-kazius_72848-48-7,[O-][N+](=O)c1ccc2c(c1)nc1c(n2)cc(cc1)[N+](=O)[O-],1
-kazius_106-24-1,OC/C=C(\CCC=C(C)C)/C,0
-kazius_122-62-3,CCCC[C@H](COC(=O)CCCCCCCCC(=O)OC[C@@H](CCCC)CC)CC,0
-kazius_21314-05-6,[O-][N+](=O)c1ccc(cc1)n1cnc2c1ncnc2N,1
-kazius_589-18-4,OCc1ccc(cc1)C,0
-kazius_994-05-8,CCC(OC)(C)C,0
-kazius_95-50-1,Clc1ccccc1Cl,0
-kazius_1148-79-4,c1ccc(nc1)c1cccc(n1)c1ccccn1,1
-kazius_612-83-9,Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N,1
-kazius_114451-08-0,[O-][N+](=O)c1nc2c(n1C)ccc1c2cccn1,1
-kazius_51042-51-4,[O-][N+](=O)c1ccc(cc1)/C=C/c1cccc(c1)[N+](=O)[O-],1
-kazius_34331-95-8,BrCc1c2ccccc2c(c2c1cccc2)C,1
-kazius_65-85-0,OC(=O)c1ccccc1,0
-kazius_94-70-2,CCOc1ccccc1N,0
-kazius_1520-21-4,C=Cc1ccc(cc1)N,1
-kazius_95-69-2,Clc1ccc(c(c1)C)N,1
-kazius_88020-91-1,OCc1cc2cccc3-c4c(-c(c1)c23)cccc4,0
-kazius_98025-31-1,OC(=O)[C@H](CSC(=C(Cl)Cl)Cl)N,1
-kazius_67411-86-3,OCc1cc2ccccc2c2c1c1ccccc1cc2,1
-kazius_71422-67-8,O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(c(c1)Cl)Oc1ncc(cc1Cl)C(F)(F)F,0
-kazius_580-22-3,Nc1ccc2c(n1)cccc2,1
-kazius_69304-47-8,Br/C=C/c1cn([C@H]2C[C@@H]([C@H](O2)CO)O)c(=O)[nH]c1=O,0
-kazius_2747-04-8,BrCc1cc(=O)oc2c1ccc(c2)OC(=O)C,0
-kazius_85-98-3,CCN(C(=O)N(c1ccccc1)CC)c1ccccc1,0
-kazius_103-84-4,CC(=O)Nc1ccccc1,0
-kazius_544-16-1,CCCCON=O,1
-kazius_563-04-2,Cc1cccc(c1)OP(=O)(Oc1cccc(c1)C)Oc1cccc(c1)C,0
-kazius_586-78-7,Brc1ccc(cc1)[N+](=O)[O-],1
-kazius_42373-04-6,C[n+]1ccsc1/N=N/c1c(c2ccccc2)n(c2c1cccc2)C.Cl,1
-kazius_155379-83-2,Nc1cc(C)c(c(c1C)[N+](=O)[O-])N,1
-kazius_57470-96-9,CCNC(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)(C)C)O,0
-kazius_518-83-2,Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)cccc1,1
-kazius_3524-68-3,C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)CO,0
-kazius_634-90-2,Clc1cc(Cl)c(c(c1)Cl)Cl,0
-kazius_4651-67-6,O[C@@H]1CC[C@]2([C@H](C1)CC(=O)[C@H]1[C@H]2CC[C@@]2([C@@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C,0
-kazius_159092-81-6,[O-][N+](=O)c1ccc2c(c1)cc(c1c2cc(cc1)[N+](=O)[O-])[N+](=O)[O-],1
-kazius_98644-23-6,OCc1c2ccccc2c(c2c1c1ccccc1cc2)COS(=O)(=O)O.[Na+],1
-kazius_68641-49-6,O=C1OCCN1P(=O)(N1CCOC1=O)Cl,1
-kazius_107534-94-1,ClCCN(c1ccc(cc1)CCCC(=O)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CCC(=O)N2)CCCl,1
-kazius_142-09-6,CCCCCCOC(=O)C(=C)C,0
-kazius_5405-53-8,[O-][N+](=O)c1ccc2-c3c(Cc2c1)cc(cc3)[N+](=O)[O-],1
-kazius_6943-00-6,O=C1CCC(=O)N1c1ccc(cc1)Cl,0
-kazius_928-51-8,OCCCCCl,1
-kazius_548-93-6,OC(=O)c1cccc(c1N)O,0
-kazius_19406-51-0,Nc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,1
-kazius_126-73-8,CCCCOP(=O)(OCCCC)OCCCC,0
-kazius_542-56-3,CC(CON=O)C,1
-kazius_611-35-8,Clc1ccnc2c1cccc2,1
-kazius_48134-75-4,C[n+]1ccc(cc1)c1ccccc1,0
-kazius_120-36-5,OC(=O)[C@H](Oc1ccc(cc1Cl)Cl)C,0
-kazius_1937-35-5,Nc1ccc2c(c1/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1cc(c3c(c1N)cccc3)S(=O)(=O)O)c(O)cc(c2)S(=O)(=O)O,1
-kazius_105837-00-1,[O-][N+](=O)c1ccc2c(c1)nc1c(n2)ccc(c1)[N+](=O)[O-],1
-kazius_191-07-1,c1cc2ccc3c4c2c2c1ccc1c2c2c4c(cc3)ccc2cc1,1
-kazius_19246-18-5,N[C@H](C(=O)NCC(=O)O)CS,1
-kazius_99-61-6,O=Cc1cccc(c1)[N+](=O)[O-],1
-kazius_3048-12-2,[O-][N+](=O)c1ccc(cc1)COc1ccccc1,0
-kazius_124489-20-9,O/N=c/1\[nH]c2c(n1C)cc(cn2)c1ccccc1,1
-kazius_2880-58-2,COC1=CC(=O)C=CC1=O,0
-kazius_107673-64-3,[O-][N+](=O)c1ccc2-c3c4c(-c2c1)cc1ccccc1c4ccc3,1
-kazius_6548-29-4,Clc1cc(ccc1/N=N/c1c2ccc(cc2cc(c1N)S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)Cl)/N=N/c1c2ccc(cc2cc(c1N)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+].[Na+].[Na+],0
-kazius_109-55-7,NCCCN(C)C,0
-kazius_6483-86-9,O=C1c2cc(ccc2C(=O)c2c1cccc2[N+](=O)[O-])S(=O)(=O)O,1
-kazius_334-22-5,ClCCNCCCl,1
-kazius_696-54-8,O/N=C/c1ccncc1,0
-kazius_1877-73-2,OC(=O)Cc1cccc(c1)[N+](=O)[O-],0
-kazius_24961-39-5,BrCc1c2ccc3c(c2cc2c1cccc2)cccc3,1
-kazius_1675-54-3,CC(c1ccc(cc1)OC[C@@H]1OC1)(c1ccc(cc1)OC[C@@H]1OC1)C,1
-kazius_140-49-8,ClCC(=O)c1ccc(cc1)NC(=O)C,1
-kazius_54779-53-2,Nc1ccc2c(c1)c1c(C)c3cnccc3c(c1[nH]2)C,1
-kazius_139-65-1,Nc1ccc(cc1)Sc1ccc(cc1)N,1
-kazius_2371-42-8,C[C@]12CC[C@@H](C2(C)C)C[C@@]1(C)O,0
-kazius_603-34-9,c1ccc(cc1)N(c1ccccc1)c1ccccc1,0
-kazius_88741-67-7,COc1ccc2c(-c3nccc4c3c(C2=O)c(O)c(c4)OC)c1,1
-kazius_10474-14-3,ClC[C@](CBr)(Br)C,0
-kazius_14691-88-4,NC1CC(C)(C)N(C(C1)(C)C)O,1
-kazius_121-00-6,COc1ccc(c(c1)C(C)(C)C)O,0
-kazius_24463-19-2,ClCc1c2ccccc2cc2c1cccc2,1
-kazius_105735-71-5,[O-][N+](=O)c1cccc2-c3c4c(-c12)cccc4c(cc3)[N+](=O)[O-],1
-kazius_52819-96-2,COc1cc2O[C@@H]3[C@H](c2c2c1c1[C@@H](O)CC(=O)c1c(=O)o2)C=CO3,1
-kazius_1874-12-0,[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OCC,1
-kazius_111119-29-0,[O-][N+](=O)c1cn(c(n1)Cl)C[C@@H](COC)O,1
-kazius_59363-17-6,Clc1ccc(cc1)CC[C@@H]1OC1,1
-kazius_2050-92-2,CCCCCNCCCCC,0
-kazius_2892-51-5,OC1=C(O)C(=O)C1=O,0
-kazius_349-95-1,OCc1ccc(cc1)C(F)(F)F,0
-kazius_1248-18-6,Oc1ccc2c(c1/N=N/c1ccc3c(c1S(=O)(=O)O)cccc3)cccc2.[Na+],0
-kazius_627-03-2,CCOCC(=O)O,0
-kazius_91-64-5,O=c1ccc2c(o1)cccc2,1
-kazius_18868-66-1,CCc1c2ccccc2cc2c1c1ccccc1cc2,0
-kazius_65954-42-9,C[C@H](c1ccc2c3c1ccc1c3c(cc2)ccc1)O,1
-kazius_115-11-7,CC(=C)C,0
-kazius_573-56-8,Oc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],0
-kazius_126-07-8,COC1=CC(=O)C[C@H]([C@@]21Oc1c(C2=O)c(OC)cc(c1Cl)OC)C,0
-kazius_193-98-6,c1cc2ccc3c4c2c(c1)ccc4cnc3,1
-kazius_25148-26-9,ClCc1c2ccccc2c(c2c1cccc2)C,1
-kazius_75-52-5,[O-][N+](=O)C,0
-kazius_4444-68-2,CCCCN(CC)CC,0
-kazius_113058-38-1,Oc1ccc2c(c1)c1cc3ccccc3cc1c1c2cccc1,1
-kazius_7300-59-6,O=C(Nc1ccc(cc1)[N+](=O)[O-])CC[C@@H](C(=O)O)N,0
-kazius_597-25-1,COP(=O)(N1CCOCC1)OC,0
-kazius_497-56-3,[O-][N+](=O)c1cc(O)c(c(c1)[N+](=O)[O-])C,0
-kazius_120-72-9,c1ccc2c(c1)[nH]cc2,0
-kazius_4457-41-4,O=C(c1ccccc1)OCc1ccc(cc1)[N+](=O)[O-],1
-kazius_5875-25-2,C[C@H](C(=O)N)Br,1
-kazius_102791-32-2,O=c1c2cccc3c2c2c(c1=O)c(ccc2cc3)[N+](=O)[O-],1
-kazius_85-68-7,CCCCOC(=O)c1ccccc1C(=O)OCc1ccccc1,0
-kazius_98-15-7,Clc1cccc(c1)C(F)(F)F,0
-kazius_78411-56-0,Cc1cnc2c(n1)ccc1c2nc(n1C)N,1
-kazius_55256-49-0,Oc1c2c(O[C@@H]3[C@H]2C=CO3)cc2c1c(=O)c1c(o2)cccc1O,0
-kazius_68247-85-8,OC[C@@H]1O[C@H](O[C@H]([C@@H](C(=O)N[C@H]([C@H]([C@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCN[C@@H](c2ccccc2)C)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)OC(=O)N)O,1
-kazius_108-09-8,CC(C[C@H](N)C)C,0
-kazius_13177-25-8,Nc1ccc2c3c1-c1ccccc1-c3ccc2,1
-kazius_3375-84-6,C[C@H](CN1C[C@@H](OC1=O)C)O,0
-kazius_6850-22-2,Cn1cc2c(n1)cc(cc2)[N+](=O)[O-],1
-kazius_555-84-0,O=C1NCCN1/N=C/c1ccc(o1)[N+](=O)[O-],1
-kazius_88-44-8,Cc1ccc(c(c1)S(=O)(=O)O)N,0
-kazius_5343-65-7,BrCC(=O)Nc1ccc(cc1)C,0
-kazius_86853-97-6,O=C1c2ccc3c(c2-c2c1ccc1c2cccc1)cccc3,1
-kazius_84-88-8,Oc1ccc(c2c1nccc2)S(=O)(=O)O,1
-kazius_51-17-2,c1ccc2c(c1)[nH]cn2,0
-kazius_106-30-9,CCCCCCC(=O)OCC,0
-kazius_529-49-7,Oc1cc(O)c2c(c1)oc1c(c2=O)cc(cc1)O,1
-kazius_64091-91-4,O=NN(CCCC(=O)c1cccnc1)C,1
-kazius_66-71-7,c1ccc2c(n1)c1ncccc1cc2,0
-kazius_32828-84-5,CN(C1Cc2cccc3c2c(C1)ccc3)C.Cl,1
-kazius_3351-30-2,Cc1cccc2c1c1ccc3c(c1cc2)cccc3,1
-kazius_759-73-9,CCN(C(=O)N)N=O,1
-kazius_17309-86-3,CN(c1ccc(cc1)/N=N/c1ccc2c(c1)cn[nH]2)C,1
-kazius_32588-76-4,O=C1N(CCN2C(=O)c3c(C2=O)c(Br)c(c(c3Br)Br)Br)C(=O)c2c1c(Br)c(c(c2Br)Br)Br,0
-kazius_2719-05-3,CC(=O)Nc1ccc(cc1)Cc1ccc(cc1)NC(=O)C,0
-kazius_620-22-4,N#Cc1cccc(c1)C,0
-kazius_530-50-7,NN(c1ccccc1)c1ccccc1,0
-kazius_1030-27-9,CN(c1ccc(cc1)/C=C/C(=O)c1ccccc1)C,0
-kazius_13394-86-0,Cc1cc(ccc1N)c1ccccc1C,1
-kazius_9003-39-8,C=CN1CCCC1=O,0
-kazius_148193-29-7,c1cc(OC[C@H]2CO2)c2c(c1)cns2,1
-kazius_29761-21-5,CC(CCCCCCCOP(=O)(Oc1ccccc1)Oc1ccccc1)C,0
-kazius_16169-16-7,ONc1ccc(cc1)[N+](=O)[O-],1
-kazius_25917-90-2,COc1cc(N)c(cc1N)[N+](=O)[O-],1
-kazius_98-51-1,Cc1ccc(cc1)C(C)(C)C,0
-kazius_47165-04-8,NC(=N)c1ccc(cc1)c1cc2c([nH]1)cc(cc2)C(=N)N,0
-kazius_3475-63-6,O=CN(C(=O)N(C)C)C,1
-kazius_14129-84-1,O=CC(=C(Cl)Cl)C(Cl)Cl,1
-kazius_4376-20-9,CCCC[C@H](COC(=O)c1ccccc1C(=O)O)CC,0
-kazius_108-45-2,Nc1cccc(c1)N,1
-kazius_51787-42-9,Cc1cc(C)c2c(c1)c(C)c1c(n2)c2ccccc2cc1,1
-kazius_57470-78-7,CCN(C(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)(C)C)O)CC,0
-kazius_91575-28-9,CC(=O)Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,1
-kazius_2437-56-1,CCCCCCCCCCCC=C,0
-kazius_102-08-9,S=C(Nc1ccccc1)Nc1ccccc1,0
-kazius_60516-11-2,CC(=O)Nc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],1
-kazius_19881-18-6,S=C=Nc1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-],1
-kazius_3077-12-1,OCCN(c1ccc(cc1)C)CCO,1
-kazius_83053-57-0,CCOc1cc2C(=O)CCc2c2c1c1ccccc1cc2,0
-kazius_97136-66-8,Cc1ccc(cc1)/C=C/c1ccc(cc1)N,1
-kazius_120812-51-3,[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2CCCC3)c(cc1)[N+](=O)[O-],1
-kazius_623-17-6,CC(=O)OCc1ccco1,1
-kazius_13360-61-7,CCCCCCCCCCCCCC=C,0
-kazius_96-91-3,[O-][N+](=O)c1cc(N)c(c(c1)[N+](=O)[O-])O,1
-kazius_88-99-3,OC(=O)c1ccccc1C(=O)O,0
-kazius_81-63-0,O=C1C2=C(N)CCC(=C2C(=O)c2c1cccc2)N,1
-kazius_1192-62-7,CC(=O)c1ccco1,1
-kazius_684-93-5,O=NN(C(=O)N)C,1
-kazius_202-98-2,c1ccc2c(c1)c1ccc3c4c1c(c2)Cc4ccc3,1
-kazius_104-04-1,CC(=O)Nc1ccc(cc1)[N+](=O)[O-],0
-kazius_71400-34-5,[O-][N+](=O)c1ccc2c(c1)Oc1c(O2)ccc(c1)[N+](=O)[O-],1
-kazius_56602-33-6,CN([P+](N(C)C)(N(C)C)On1nnc2c1cccc2)C,0
-kazius_126-98-7,CC(=C)C#N,0
-kazius_67-21-0,CCSCC[C@@H](C(=O)O)N,0
-kazius_1596-84-5,CN(NC(=O)CCC(=O)O)C,0
-kazius_1646-75-9,CSC(/C=N/O)(C)C,0
-kazius_104775-36-2,CNC(=O)c1cccc(c1)NCC(=O)NCCc1ccc(c(c1)OC)OC,0
-kazius_88-14-2,OC(=O)c1ccco1,0
-kazius_84-58-2,N#CC1=C(C#N)C(=O)C(=C(C1=O)Cl)Cl,0
-kazius_52101-40-3,OC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],1
-kazius_529-19-1,N#Cc1ccccc1C,0
-kazius_58430-01-6,Cc1cc2c(cc1C)nc1c(c2C)ccc2c1cccc2,1
-kazius_11056-06-7,OC[C@H]1O[C@@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@@H]([C@@H](C(=O)N[C@@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCC[S+](C)C)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O.OC[C@H]1O[C@@H](O[C@H]([C@H](C(=O)N[C@@H]([C@@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCCNC(=N)N)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)OC(=O)N)O,1
-kazius_2922-54-5,OC(=O)CCC(=O)O.[Na+],0
-kazius_2782-91-4,CN(C(=S)N(C)C)C,0
-kazius_109875-50-5,[O-][N+](=O)c1ccc(cc1)c1nc2-c(c([nH]1)N)ncn2,1
-kazius_5221-17-0,Br[C@@H](C=O)CBr,1
-kazius_602-60-8,[O-][N+](=O)c1c2ccccc2cc2c1cccc2,1
-kazius_92-69-3,Oc1ccc(cc1)c1ccccc1,1
-kazius_695-99-8,O=C1C=CC(=O)C(=C1)Cl,0
-kazius_122-57-6,CC(=O)/C=C/c1ccccc1,1
-kazius_16757-80-5,Cc1cc2cccc3c2c2c1c1ccccc1cc2cc3,1
-kazius_27758-60-7,NN(c1ccc(cc1)C)c1ccc(cc1)C,1
-kazius_104-40-5,CCCCCCCCCc1ccc(cc1)O,0
-kazius_83621-06-1,Clc1ccc(cc1)OCCO/C(=C(\n1cncc1)/C)/c1ccc(cc1Cl)Cl.[O-][N+](=O)O,0
-kazius_14667-55-1,Cc1cnc(c(n1)C)C,0
-kazius_823-86-9,ONc1ccc(cc1)Cl,0
-kazius_79455-30-4,C[C@H](NC(=O)c1cccnc1)CNC(=O)c1cccnc1,0
-kazius_606-35-9,COc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],1
-kazius_316-49-4,Cc1cccc2c1ccc1c2cc2c(c1)cccc2,1
-kazius_125-33-7,CCC1(C(=O)NCNC1=O)c1ccccc1,1
-kazius_105-39-5,CCOC(=O)CCl,0
-kazius_583-78-8,Clc1ccc(c(c1)O)Cl,0
-kazius_25082-33-1,c1ccc2c(c1)cc1c(c2)c2cnccc2cc1,1
-kazius_1120-71-4,O=S1(=O)CCCO1,1
-kazius_4543-63-9,CNC(=O)ONC(=O)NC,1
-kazius_74339-99-4,Oc1ccc2-c3c4c(-c2c1)cc1ccccc1c4cc1c3cccc1,1
-kazius_55256-55-8,COc1c2c(O[C@H]3[C@H]2C=CO3)cc2c1c(=O)c1c(o2)c(CCC(O)(C)C)ccc1O,1
-kazius_13177-31-6,[O-][N+](=O)c1cccc2-c3c4c(-c12)cccc4ccc3,1
-kazius_111901-39-4,O[C@@H]1[C@H]2O[C@H]2c2c([C@H]1O)ccc1c2c(C)cc2c1cccc2,1
-kazius_580-17-6,Nc1cnc2c(c1)cccc2,1
-kazius_112965-21-6,O[C@H]1C[C@H](O)C(=C)/C(=C\C=C\2/CCC[C@]3([C@H]2CC[C@@H]3[C@@H](/C=C/[C@H](C2CC2)O)C)C)/C1,0
-kazius_2498-76-2,Cc1ccc2c(c1)c1cc3ccccc3cc1cc2,1
-kazius_5910-89-4,Cc1nccnc1C,0
-kazius_97-41-6,CCOC(=O)[C@H]1[C@@H](C1(C)C)C=C(C)C,0
-kazius_604-75-1,O=C1Nc2ccc(cc2C(=N[C@@H]1O)c1ccccc1)Cl,0
-kazius_74-97-5,ClCBr,1
-kazius_3083-23-6,ClC([C@H]1OC1)(Cl)Cl,1
-kazius_107-35-7,NCCS(=O)(=O)O,0
-kazius_23491-44-3,CN1CCN(CC1)c1ccc2c(c1)nc([nH]2)c1ccc2c(c1)nc([nH]2)c1ccc(cc1)O,0
-kazius_2902-96-7,[O-][N+](=O)[C@@H](CO)C,0
-kazius_57775-29-8,O[C@@H](COc1cccc2c1c1ccccc1[nH]2)CNC(C)C,0
-kazius_818-61-1,OCCOC(=O)C=C,0
-kazius_2160-93-2,OCCN(C(C)(C)C)CCO,0
-kazius_64431-93-2,C1CN=C(N1)c1ccc(cc1)c1[nH]c2c(c1)ccc(c2)C1=NCCN1,0
-kazius_528-75-6,O=Cc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],1
-kazius_71-36-3,CCCCO,0
-kazius_482-44-0,CC(=CCOc1c2occc2cc2c1oc(=O)cc2)C,1
-kazius_36536-46-6,C[C@H]1CC(=O)O1,1
-kazius_478-08-0,OCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,1
-kazius_159092-76-9,[O-][N+](=O)c1cc2c(cccc2c2c1cccc2[N+](=O)[O-])[N+](=O)[O-],1
-kazius_24140-30-5,CC[C@H](COC(=O)/C=C/c1ccc(cc1)/N=C/c1ccc(cc1)OC)C,1
-kazius_120-12-7,c1ccc2c(c1)cc1c(c2)cccc1,1
-kazius_1421-63-2,CCCC(=O)c1cc(O)c(cc1O)O,1
-kazius_155798-37-1,ClCCN(c1ccc(cc1)OCCCCCNc1c2ccccc2nc2c1cccc2)CC,1
-kazius_77191-36-7,O=C(Nc1c(C)cccc1C)CN1CCCC1=O,0
-kazius_104485-01-0,CCCCCOc1cccc(c1)NC(=O)O[C@@H]1CCCC[C@H]1N1CCCC1,0
-kazius_4463-22-3,CC(=O)N(c1ccc(cc1)c1ccccc1)O,1
-kazius_537-92-8,CC(=O)Nc1cccc(c1)C,0
-kazius_96918-15-9,c1cc2ccc3c4c2c(c1)ccc4cc1c3occ1,1
-kazius_125974-08-5,ClCC1=C(Cl)C(=O)O[C@H]1O,1
-kazius_7364-25-2,O=c1[nH][nH]c2c1cccc2,0
-kazius_93535-04-7,Nc1ccc(cc1)/C=C/c1cccc(c1)Cl,1
-kazius_41934-47-8,CCN(c1ccc2c(c1)oc(=O)cc2C(F)(F)F)CC,0
-kazius_535-11-5,CCOC(=O)[C@H](Br)C,1
-kazius_148193-35-5,COc1nsc2c1ccc(c2)OC[C@H]1CO1,1
-kazius_5836-85-1,COc1cc2C(=O)CCc2c2c1c1ccccc1cc2,1
-kazius_135086-94-1,COc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,1
-kazius_22008-60-2,CSCC[C@@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)NC=O,0
-kazius_96346-61-1,OCCC[C@@]1(O)CC[C@@H]2[C@@]1(C)C[C@@H](c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@H]21,0
-kazius_1456-28-6,C[C@@H]1O[C@@H](C)CN(C1)N=O,1
-kazius_3029-19-4,O=Cc1ccc2c3c1ccc1c3c(cc2)ccc1,1
-kazius_146795-48-4,O=C(N(c1ccccc1)C)c1csc(c1)[N+](=O)[O-],1
-kazius_26328-53-0,S=C=Nc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],0
-kazius_129-44-2,Nc1cccc2c1C(=O)c1cccc(c1C2=O)N,1
-kazius_99-56-9,[O-][N+](=O)c1ccc(c(c1)N)N,1
-kazius_119-47-1,Cc1cc(Cc2cc(C)cc(c2O)C(C)(C)C)c(c(c1)C(C)(C)C)O,0
-kazius_90243-66-6,O=C([C@@H]1CS[C@@H](C(=O)N1)C)N[C@H](C(=O)N1CCC[C@H]1C(=O)N)Cc1c[nH]cn1,0
-kazius_3070-86-8,CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)NC(=O)C,0
-kazius_3060-89-7,CON(C(=O)Nc1ccc(cc1)Br)C,0
-kazius_530-75-6,CC(=O)Oc1ccccc1C(=O)Oc1ccccc1C(=O)O,0
-kazius_25155-23-1,Cc1ccc(c(c1)C)OP(=O)(Oc1ccc(cc1C)C)Oc1ccc(cc1C)C,0
-kazius_585-08-0,c1ccc2c(-c3ccccc3[C@@H]3[C@H]2O3)c1,1
-kazius_63390-12-5,Nc1ccc(cc1Cl)c1cc(Cl)c(c(c1)Cl)N,1
-kazius_62613-82-5,NC(=O)CN1C[C@@H](CC1=O)O,0
-kazius_4698-96-8,c1ccc(cc1)c1ccc(cc1)OC[C@@H]1OC1,1
-kazius_13889-92-4,CCCSC(=O)Cl,1
-kazius_2212-99-9,O=CC1=C[C@H]2CC(C[C@@H]2[C@@]23[C@@]1(C2)[C@H](O)OC3=O)(C)C,1
-kazius_62-55-5,CC(=S)N,0
-kazius_13925-00-3,CCc1cnccn1,0
-kazius_7132-67-4,Oc1ccc2c(c1)c(N)c1c(n2)cccc1,1
-kazius_6375-16-2,CC(=O)Nc1ccc(c(c1)N)C,1
-kazius_84174-21-0,O=NN(Cc1ccc(cc1)F)C,1
-kazius_65002-17-7,SC[C@@H](C(=O)O)NC(=O)C(S)(C)C,0
-kazius_5802-60-8,NN(Cc1ccccc1)Cc1ccccc1,0
-kazius_114607-46-4,OC(=O)C(=O)Nc1cccc(c1)c1nnn[nH]1,0
-kazius_839-90-7,OCCn1c(=O)n(CCO)c(=O)n(c1=O)CCO,0
-kazius_106-91-2,CC(=C)C(=O)OC[C@H]1CO1,1
-kazius_5989-27-5,CC1=CC[C@H](CC1)C(=C)C,0
-kazius_84434-42-4,Nc1ccc(c(c1C)N)/N=N/c1ccccc1,1
-kazius_82414-02-6,O=Nc1cc(ccc1C)[N+](=O)[O-],1
-kazius_10387-13-0,ClCc1c2ccccc2c(c2c1cccc2)CCl,1
-kazius_82-68-8,Clc1c(Cl)c([N+](=O)[O-])c(c(c1Cl)Cl)Cl,0
-kazius_15625-89-5,C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)CC,1
-kazius_587-04-2,O=Cc1cccc(c1)Cl,0
-kazius_91-59-8,Nc1ccc2c(c1)cccc2,1
-kazius_121-47-1,Nc1cccc(c1)S(=O)(=O)O,0
-kazius_543-67-9,CCCON=O,1
-kazius_4648-33-3,COc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],1
-kazius_6377-12-4,Nc1ccc2c(c1)c1ccccc1[nH]2,1
-kazius_645-49-8,c1ccc(cc1)/C=C/c1ccccc1,0
-kazius_54965-24-1,OC(=O)C(CC(=O)O)(CC(=O)O)O.CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1,0
-kazius_85-44-9,O=C1OC(=O)c2c1cccc2,0
-kazius_134-20-3,COC(=O)c1ccccc1N,0
-kazius_114-26-1,CNC(=O)Oc1ccccc1OC(C)C,1
-kazius_121808-62-6,O=C1CC[C@H](N1)C(=O)N1CSC[C@H]1C(=O)O,0
-kazius_18691-97-9,CNC(=O)N(c1nc2c(s1)cccc2)C,0
-kazius_84-64-0,CCCCOC(=O)c1ccccc1C(=O)OC1CCCCC1,0
-kazius_133591-33-0,Cc1cc([N+](=O)[O-])c(c2c1[nH]c1c2cccc1)C,1
-kazius_109-86-4,COCCO,0
-kazius_102-50-1,COc1ccc(c(c1)C)N,1
-kazius_3234-28-4,CCCCCCCCCCCC[C@H]1CO1,0
-kazius_205-99-2,c1ccc2-c3c4c(-c2c1)cc1ccccc1c4ccc3,1
-kazius_107-05-1,ClCC=C,1
-kazius_16238-56-5,BrCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,1
-kazius_96-31-1,CNC(=O)NC,0
-kazius_1785-51-9,O=C1C=Cc2c3c1ccc1c3c(cc2)C(=O)C=C1,1
-kazius_918-00-3,CC(=O)C(Cl)(Cl)Cl,1
-kazius_528-45-0,[O-][N+](=O)c1cc(ccc1[N+](=O)[O-])C(=O)O,1
-kazius_101-70-2,COc1ccc(cc1)Nc1ccc(cc1)OC,0
-kazius_20268-51-3,[O-][N+](=O)c1c2ccc3c(c2cc2c1cccc2)cccc3,0
-kazius_524-89-0,COc1c2cc3OCOc3cc2nc2c1cco2,1
-kazius_105596-43-8,[O-][N+](=O)c1ccc2c3c1[C@@H]1O[C@@H]1c1c3c(cc2)ccc1,1
-kazius_57564-91-7,O=NSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,1
-kazius_40277-05-2,ClCCN([P@]1(=O)OCC[C@H](N1)O)CCCl,1
-kazius_2516-93-0,CCCCOCC(=O)O,0
-kazius_27093-62-5,Cn1c2ccc3c(c2c2c1ccc1c2cccc1)cccc3,1
-kazius_23250-39-7,Clc1ccc2c(c1)c(N)c1c(n2)cccc1,1
-kazius_95-51-2,Nc1ccccc1Cl,0
-kazius_91-95-2,Nc1ccc(cc1N)c1ccc(c(c1)N)N,1
-kazius_87-59-2,Cc1c(C)cccc1N,1
-kazius_39081-15-7,Oc1cccc2c1cc1c(c2)c2ccccc2c2c1cccc2,1
-kazius_109-01-3,CN1CCNCC1,0
-kazius_105-45-3,COC(=O)CC(=O)C,0
-kazius_126572-78-9,OC/C(=C(\C(=O)O)/Cl)/C(Cl)Cl,1
-kazius_136-35-6,c1ccc(cc1)N/N=N/c1ccccc1,1
-kazius_151-67-7,Cl[C@@H](C(F)(F)F)Br,0
-kazius_145438-97-7,O=NN(C(=O)c1n(C)cnc1N(N=O)C)C,1
-kazius_75-83-2,CCC(C)(C)C,0
-kazius_2453-44-3,O=C(c1ccc(cc1)c1ccccc1)/C=C/c1ccccc1,0
-kazius_108-21-4,CC(OC(=O)C)C,0
-kazius_39515-41-8,N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)(C)C,0
-kazius_13171-00-1,CC(=O)c1cc(cc2c1CCC2(C)C)C(C)(C)C,0
-kazius_116539-70-9,CCCCN(C[C@H](C1=CC(=[N+]=[N-])C(=O)C=C1)O)N=O,1
-kazius_24191-98-8,CN1C[C@@H](O)c2c3[C@H]1Cc1ccccc1-c3c1c(c2)OCO1,1
-kazius_6441-91-4,Nc1ccc2c(c1/N=N/c1ccc(cc1S(=O)(=O)O)[N+](=O)[O-])c(O)cc(c2)S(=O)(=O)O,0
-kazius_290-37-9,n1ccncc1,0
-kazius_98-46-4,[O-][N+](=O)c1cccc(c1)C(F)(F)F,0
-kazius_2486-04-6,[O-][N+](=O)c1cc(ccc1c1ccccc1)[N+](=O)[O-],1
-kazius_52-28-8,OP(=O)(O)O.COc1ccc2c3c1O[C@H]1[C@@]43CCN([C@H](C2)[C@@H]4C=C[C@@H]1O)C,0
-kazius_554-14-3,Cc1cccs1,0
-kazius_88266-67-5,OC[C@@H]1O[C@@H](O[C@H]([C@@H](C(=O)N[C@H]([C@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCN(CCC(N(c2ccc(c(c2)OCc2ccccc2)OCc2ccccc2)C)N(c2ccc(c(c2)OCc2ccccc2)OCc2ccccc2)C)C)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O,1
-kazius_475-38-7,O=C1C=CC(=O)c2c1c(O)ccc2O,1
-kazius_74340-04-8,O[C@@H]1C=Cc2c([C@H]1O)c1-c3ccccc3-c3c1c(c2)c1ccccc1c3,1
-kazius_484-29-7,COc1c2ccccc2nc2c1cco2,1
-kazius_509-93-3,C[C@H]1CC[C@H]2[C@@H]([C@@]3([C@@H]1C=CC3=O)C)OC(=O)C2=C,0
-kazius_88-75-5,[O-][N+](=O)c1ccccc1O,0
-kazius_634-91-3,Nc1cc(Cl)c(c(c1)Cl)Cl,0
-kazius_90-30-2,c1ccc(cc1)Nc1cccc2c1cccc2,0
-kazius_885-82-5,[O-][N+](=O)c1cc(ccc1O)c1ccccc1,0
-kazius_35089-70-4,[O-][N+](=O)NC(=N)N(N=O)CCCCCC,1
-kazius_110-21-4,NC(=O)NNC(=O)N,0
-kazius_1528-74-1,[O-][N+](=O)c1ccc(cc1)c1ccc(cc1)[N+](=O)[O-],1
-kazius_131-14-6,Nc1ccc2c(c1)C(=O)c1c(C2=O)cc(cc1)N,1
-kazius_121-17-5,[O-][N+](=O)c1cc(ccc1Cl)C(F)(F)F,0
-kazius_80214-83-1,COCCOCO/N=C\1/[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H]([C@](C2)(C)OC)O)[C@@H](C(=O)O[C@@H]([C@@]([C@@H]([C@@H]1C)O)(C)O)CC)C,0
-kazius_92433-40-4,CC(=O)Nc1cc2Cc3c(-c2cc1Cl)cccc3,1
-kazius_2481-94-9,CCN(c1ccc(cc1)/N=N/c1ccccc1)CC,0
-kazius_75-17-2,ON=C,0
-kazius_211-91-6,c1cc2C=Cc3c2c(c1)cc1c3c2ccccc2cc1,1
-kazius_611-36-9,Oc1ccnc2c1cccc2,0
-kazius_13132-28-0,[O-][N+](=O)C1=Cc2c3c1cccc3ccc2,1
-kazius_1805-02-3,COc1ccc2c(c1)nc(n2C)N,1
-kazius_140-31-8,NCCN1CCNCC1,0
-kazius_486-25-9,O=C1c2ccccc2-c2c1cccc2,0
-kazius_54150-69-5,COc1ccc(c(c1)OC)N.Cl,1
-kazius_120-37-6,Cc1ccc(cc1NCC)O,1
-kazius_2223-82-7,C=CC(=O)OCC(COC(=O)C=C)(C)C,0
-kazius_2322-45-4,O=C(C(Br)(C)C)Nc1ccccc1,0
-kazius_70951-83-6,O[C@@H]1[C@H]2O[C@H]2c2c([C@H]1O)c1ccc3c(c1cc2)cccc3,1
-kazius_107673-65-4,[O-][N+](=O)C1=Cc2c3c1cccc3cc1c2c2ccccc2cc1,1
-kazius_766-40-5,O[C@@H]1OC(=O)C(=C1Cl)Cl,1
-kazius_3771-19-5,OC(=O)C(Oc1ccc(cc1)[C@H]1CCCc2c1cccc2)(C)C,0
-kazius_22755-15-3,CC(=O)Nc1ccc2c3c1ccc1c3c(cc2)ccc1,1
-kazius_89459-25-6,CN(CCNC(=O)c1cccc2c1nc1ccccc1c2)C,1
-kazius_710-25-8,NC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],1
-kazius_28860-95-9,NN[C@](C(=O)O)(Cc1ccc(c(c1)O)O)C,1
-kazius_51483-39-7,ClCC(CCl)Br,1
-kazius_134-09-8,C[C@@H]1CC[C@H]([C@H](C1)OC(=O)c1ccccc1N)C(C)C,0
-kazius_79-94-7,CC(c1cc(Br)c(c(c1)Br)O)(c1cc(Br)c(c(c1)Br)O)C,0
-kazius_2381-40-0,Cc1ccc2c(c1)nc1c(c2C)ccc2c1cccc2,1
-kazius_87-10-5,Brc1ccc(cc1)NC(=O)c1cc(Br)cc(c1O)Br,0
-kazius_603-35-0,c1ccc(cc1)P(c1ccccc1)c1ccccc1,0
-kazius_31688-71-8,CC(=O)OCc1c2ccccc2c(c2c1cccc2)C,1
-kazius_2461-15-6,CCCC[C@H](COC[C@H]1CO1)CC,1
-kazius_88741-68-8,COc1ccc2c(-c3nccc4c3c(C2=O)c(OC)c(c4)OC)c1,1
-kazius_43210-67-9,COC(=O)Nc1[nH]c2c(n1)cc(cc2)Sc1ccccc1,0
-kazius_19686-73-8,C[C@H](CBr)O,1
-kazius_2213-00-5,COC(=O)[C@]12C[C@]2(C=O)C(=C[C@H]2[C@H]1CC(C2)(C)C)C=O,1
-kazius_144280-50-2,[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1o2)[N+](=O)[O-],1
-kazius_86-30-6,O=NN(c1ccccc1)c1ccccc1,0
-kazius_2164-08-1,O=c1[nH]c2CCCc2c(=O)n1C1CCCCC1,0
-kazius_109875-45-8,OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1nc(nc2N)c1ccc(cc1)[N+](=O)[O-],1
-kazius_87-29-6,O=C(c1ccccc1N)OC/C=C/c1ccccc1,0
-kazius_113163-24-9,c1ccc2c(n1)c1c(cc2)CC[C@H]2[C@@H]1O2,1
-kazius_81593-13-7,CCOP(=O)(N1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1)OCC,1
-kazius_15980-15-1,C1COCCS1,0
-kazius_101-59-7,Nc1ccc(cc1)Sc1ccc(cc1)[N+](=O)[O-],1
-kazius_106636-48-0,[O-][N+](=O)c1c(nc2n1CCS2)c1ccc(cc1)[N+](=O)[O-],1
-kazius_113058-39-2,Oc1cccc2c1c1ccccc1c1c2cc2ccccc2c1,1
-kazius_614-47-1,O=C(c1ccccc1)/C=C/c1ccccc1,0
-kazius_636-21-5,Cc1ccccc1N.Cl,1
-kazius_962-32-3,c1ccc2-c3cc4ccccc4cc3[C@@H]3[C@H](c2c1)O3,1
-kazius_71382-44-0,c1ccc2-c3cc4ccccc4cc3[C@@H]3[C@H](c2c1)N3,1
-kazius_56258-32-3,O=C1CC[C@@H]2c3c1c(O)ccc3-c1c3[C@@]2(O)[C@H](O)CC(=O)c3c(cc1)O,1
-kazius_645-12-5,OC(=O)c1ccc(o1)[N+](=O)[O-],1
-kazius_7195-43-9,O=C(c1cccc(c1)C(=O)OC[C@@H]1OC1)OC[C@@H]1OC1,1
-kazius_72273-04-2,ClCCN(c1ccc(cc1)OCC(=O)O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC(=O)N2)C)C)CCCl,1
-kazius_13088-34-1,ClC(=C1C=CC(=O)O1)Cl,1
-kazius_10353-98-7,[O-][N+](=O)c1ccc2c3c1C=Cc3ccc2,1
-kazius_77314-23-9,O/N=c/1\[nH]c2c(n1C)ccc1c2cccn1,1
-kazius_520-18-3,Oc1ccc(cc1)c1oc2cc(O)cc(c2c(=O)c1O)O,1
-kazius_28164-57-0,Cc1cc(O)c2c(c1)C(=O)C(=CC2=O)c1c(C)cc2c(c1O)C(=O)C=CC2=O,0
-kazius_3296-90-0,OCC(CBr)(CBr)CO,1
-kazius_116208-67-4,Fc1ccc2-c3c(-c4c2c1ccc4)cc1c(c3)cccc1,1
-kazius_4823-47-6,BrCCOC(=O)C=C,1
-kazius_102791-33-3,O=c1oc2ccc(c3c2c2c1cccc2cc3)[N+](=O)[O-],1
-kazius_506-87-6,OC(=O)O.N.N,0
-kazius_89-25-8,O=C1CC(=NN1c1ccccc1)C,0
-kazius_19727-83-4,[O-][N+](=O)c1ccc2c(c1)NCC2,1
-kazius_92279-99-7,ClCCNCCCNc1c2ccccc2nc2c1cccc2OC,1
-kazius_98-16-8,Nc1cccc(c1)C(F)(F)F,0
-kazius_34433-31-3,O/N=C/c1cccc[n+]1COC[n+]1ccc(cc1)C(=O)N.Cl.Cl,0
-kazius_107-11-9,NCC=C,0
-kazius_5709-67-1,[O-][N+](=O)c1nc2c([nH]1)cccc2,1
-kazius_1169-60-4,COC(=O)c1cc2OCOc2c2c1c(cc1c2cccc1OC)[N+](=O)[O-],1
-kazius_17526-17-9,CCOCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,1
-kazius_13177-26-9,Nc1cc2cccc3-c4c(-c(c1)c23)cccc4,1
-kazius_5598-13-0,COP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OC,0
-kazius_17070-45-0,ClCCNCCCNc1c2cc(OC)ccc2nc2c1ccc(c2)Cl,1
-kazius_1222-05-5,C[C@@H]1OCCc2c1cc1c(c2)C([C@@H](C1(C)C)C)(C)C,0
-kazius_88-45-9,Nc1ccc(c(c1)S(=O)(=O)O)N,0
-kazius_51-18-3,C1CN1c1nc(nc(n1)N1CC1)N1CC1,1
-kazius_66552-77-0,Cc1c2cc(C)c(cc2c(c2c1cccc2)C)C,1
-kazius_90-00-6,CCc1ccccc1O,0
-kazius_123-68-2,CCCCCC(=O)OCC=C,0
-kazius_24400-01-9,CN(CCCNc1c2ccccc2nc2c1c(ccc2C)[N+](=O)[O-])C,1
-kazius_5679-89-0,[O-]/[N+](=N\c1ccc(c(c1)[N+](=O)[O-])C)/c1ccc(c(c1)[N+](=O)[O-])C,0
-kazius_2517-98-8,CC(=O)OCc1c2ccccc2c(c2c1ccc1c2cccc1)C,1
-kazius_1875-48-5,NN1C(=O)c2c(C1=O)cccc2,0
-kazius_3351-31-3,Cc1ccc2c(c1)c1ccc3c(c1cc2)cccc3,1
-kazius_1122-62-9,CC(=O)c1ccccn1,0
-kazius_117760-92-6,O[C@@H]1C=Cc2c([C@H]1O)c1ccc3c(c1cc2[N+](=O)[O-])cccc3,1
-kazius_6795-16-0,COc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)CCO3,0
-kazius_85721-33-1,Fc1cc2c(cc1N1CCNCC1)n(cc(c2=O)C(=O)O)C1CC1,1
-kazius_34256-82-1,CCOCN(c1c(C)cccc1CC)C(=O)CCl,0
-kazius_2210-79-9,Cc1ccccc1OC[C@H]1CO1,1
-kazius_60-35-5,CC(=O)N,0
-kazius_122-88-3,OC(=O)COc1ccc(cc1)Cl,0
-kazius_611-06-3,Clc1ccc(c(c1)Cl)[N+](=O)[O-],1
-kazius_90-19-7,COc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O,1
-kazius_95-76-1,Nc1ccc(c(c1)Cl)Cl,0
-kazius_626-60-8,Clc1cccnc1,0
-kazius_129-20-4,CCCC[C@@H]1C(=O)N(N(C1=O)c1ccc(cc1)O)c1ccccc1,1
-kazius_461-72-3,O=C1NCC(=O)N1,0
-kazius_53693-66-6,CCN(c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N(CC)CC)CC,1
-kazius_581-28-2,Nc1ccc2c(c1)cc1c(n2)cccc1,1
-kazius_89-61-2,Clc1ccc(c(c1)[N+](=O)[O-])Cl,1
-kazius_16169-17-8,ONc1ccccc1c1ccccc1,1
-kazius_94-96-2,CCC[C@H]([C@H](CO)CC)O,0
-kazius_63655-40-3,N#Cc1ccc2c(c1)nc([nH]2)N,1
-kazius_101021-43-6,Cc1ccc2c(c1)ccc1c2c2c([nH]1)ccc1c2cccc1,1
-kazius_56980-94-0,O[C@@H](COc1ccc(cc1C(=O)C)N)CNC(C)(C)C,0
-kazius_931-97-5,N#CC1(O)CCCCC1,0
-kazius_59229-75-3,[O-][N+](=O)c1cc(N)c(c(c1)N)C,1
-kazius_91575-29-0,CC(=O)Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)NC(=O)C,1
-kazius_134-81-6,O=C(C(=O)c1ccccc1)c1ccccc1,0
-kazius_930-22-3,C=C[C@H]1CO1,1
-kazius_224-53-3,c1ccc2c(c1)ccc1c2nc2c(c1)ccc1c2cccc1,1
-kazius_17831-71-9,C=CC(=O)OCCOCCOCCOCCOC(=O)C=C,0
-kazius_304-28-9,CC(=O)Nc1ccc2-c3c(Cc2c1)cc(cc3)NC(=O)C,1
-kazius_78-84-2,O=CC(C)C,0
-kazius_132742-03-1,[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1C=CCC2,1
-kazius_86-00-0,[O-][N+](=O)c1ccccc1c1ccccc1,0
-kazius_93106-60-6,CCN1CCN(CC1)c1cc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)O,1
-kazius_934-73-6,Clc1ccc(cc1)[S@](=O)C,0
-kazius_52278-77-0,OC[C@H]1O[C@H](C[C@H]1O)n1cc(O)c(nc1=O)N,0
-kazius_76-03-9,OC(=O)C(Cl)(Cl)Cl,0
-kazius_612-22-6,CCc1ccccc1[N+](=O)[O-],0
-kazius_834-28-6,N=C(NC(=N)N)NCCc1ccccc1,0
-kazius_28622-66-4,O[C@@H]1C=Cc2c([C@@H]1O)ccc1c2cccc1,1
-kazius_493-52-7,CN(c1ccc(cc1)/N=N/c1ccccc1C(=O)O)C,1
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-kazius_94-11-1,CC(OC(=O)COc1ccc(cc1Cl)Cl)C,0
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-kazius_1120-36-1,CCCCCCCCCCCCC=C,0
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-kazius_124-18-5,CCCCCCCCCC,0
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-kazius_33100-27-5,O1CCOCCOCCOCCOCC1,0
-kazius_140-56-7,CN(c1ccc(cc1)/N=N/S(=O)(=O)O)C.[Na+],1
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-kazius_71382-50-8,c1ccc2c(c1)c1ccc3c4c1c(c2)[C@H]1N[C@H]1c4ccc3,1
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-kazius_213-46-7,c1ccc2c(c1)c1ccc3c(c1cc2)ccc1c3cccc1,1
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-kazius_69527-46-4,N#CC(=Cc1ccc(o1)[N+](=O)[O-])C#N,1
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-kazius_60784-46-5,OCCNC(=O)N(CCCl)N=O,1
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-kazius_623-24-5,BrCc1ccc(cc1)CBr,0
-kazius_89873-24-5,[N-]=[N+]=Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,1
-kazius_548-04-9,Oc1cc(C)c2c3c1C(=O)c1c(O)cc(c4c1c3c1c3c2c(C)cc(c3C(=O)c2c1c4c(O)cc2O)O)O,0
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-kazius_25834-80-4,Nc1ccc(cc1)Cc1ccc(c(c1)Cc1ccc(cc1)N)N,1
-kazius_118745-15-6,O=Nc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,1
-kazius_94730-48-0,N#C[C@@H]1COCCN1[C@H]1C[C@@H](O[C@H]([C@H]1O)C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)CO,0
-kazius_51-79-6,CCOC(=O)N,1
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-kazius_17987-99-4,OC(=O)c1c[n+]([O-])c2c([n+]1[O-])cccc2,1
-kazius_371-40-4,Nc1ccc(cc1)F,1
-kazius_2319-96-2,Cc1cc2cc3ccccc3cc2c2c1cccc2,1
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-kazius_127045-41-4,OC(=O)c1cn2[C@@H](C)COc3c2c(c1=O)cc(c3C1(N)CC1)F,0
-kazius_836-30-6,[O-][N+](=O)c1ccc(cc1)Nc1ccccc1,0
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-kazius_91540-30-6,C=CCN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,1
-kazius_621-64-7,CCCN(N=O)CCC,1
-kazius_486-56-6,O=C1CC[C@H](N1C)c1cccnc1,0
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-kazius_480-19-3,COc1cc(ccc1O)c1oc2cc(O)cc(c2c(=O)c1O)O,0
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-kazius_36519-91-2,Clc1ccc(cc1)C[C@@H]1OC1,1
-kazius_1634-04-4,COC(C)(C)C,0
-kazius_84-65-1,O=C1c2ccccc2C(=O)c2c1cccc2,1
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-kazius_24634-61-5,C/C=C/C=C/C(=O)O.[K+],0
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-kazius_3096-62-6,ONc1cccc(c1C)C,1
-kazius_109-02-4,CN1CCOCC1,0
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-kazius_602-01-7,[O-][N+](=O)c1c(C)cccc1[N+](=O)[O-],1
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-kazius_101-05-3,Clc1nc(nc(n1)Cl)Nc1ccccc1Cl,0
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-kazius_67508-87-6,COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)[C@@H](O[C@@H]1O[C@@H](C)[C@@H]([C@H](C1)N(C)C)O)C[C@](C2)(O)C(=O)C,1
-kazius_5397-31-9,CCCC[C@H](COCCCN)CC,0
-kazius_82-39-3,COc1cccc2c1C(=O)c1c(C2=O)cccc1,1
-kazius_152-84-1,O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)CO[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)Oc1ccc2c(c1O)C(=O)c1c(C2=O)cccc1,0
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-kazius_23564-05-8,COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC,1
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-kazius_3958-57-4,BrCc1cccc(c1)[N+](=O)[O-],0
-kazius_104145-44-0,COC(=O)c1nc(c2ccc3c(n2)C(=O)C=CC3=O)c2c(c1)c1ccccc1[nH]2,1
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-kazius_10312-83-1,COCC=O,1
-kazius_933-88-0,ClC(=O)c1ccccc1C,1
-kazius_6164-98-3,CN(/C=N/c1ccc(cc1C)Cl)C,0
-kazius_3491-12-1,Nc1ccc(cc1)Oc1ccc(cc1)Oc1ccc(cc1)N,1
-kazius_86780-90-7,COC(=O)C1=C(C)NC(=C([C@@H]1c1ccccc1[N+](=O)[O-])C(=O)OCC(=O)C)C,0
-kazius_82085-94-7,NC[C@@H]1CC[C@H](CC1)C(=O)c1ccc(cc1)CCC(=O)O.Cl,0
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-kazius_88321-09-9,CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@H](C(=O)NCCC(C)C)CC(C)C,0
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-kazius_3731-39-3,Cc1ccccc1/N=N/c1ccc(cc1)N(C)C,0
-kazius_5003-48-5,CC(=O)Nc1ccc(cc1)OC(=O)c1ccccc1OC(=O)C,0
-kazius_107673-66-5,[O-][N+](=O)C1=Cc2c3c1cccc3c1c(c2)cc2c(c1)cccc2,1
-kazius_185-70-6,C1CCC2(CC1)CO2,0
-kazius_7083-63-8,Nc1cccc2c1-c1ccccc1C2,1
-kazius_109-57-9,NC(=S)NCC=C,0
-kazius_83-44-3,O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C,0
-kazius_19077-98-6,CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1,0
-kazius_183249-37-8,c1ccc2c(c1)ccc1c2c2C=CCc2cc1,1
-kazius_158366-45-1,CC(=O)c1cccn1[N+](=O)[O-],1
-kazius_55028-70-1,CCCCC[C@](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C/CCCC(=O)O)(O)C,0
-kazius_98-83-9,CC(=C)c1ccccc1,0
-kazius_623-30-3,O=C/C=C/c1ccco1,0
-kazius_4485-12-5,CCCCCCCCCCCCCCCCCC(=O)O.[Li+],0
-kazius_133561-39-4,Nc1ccc(c(c1)[N+](=O)[O-])c1ccc(cc1N)[N+](=O)[O-],1
-kazius_475-75-2,O=C1c2ccccc2-c2c3c1nccc3cc1c2OCO1,1
-kazius_42583-46-0,COc1cc2O[C@@H]3[C@@H](c2c2c1c1CCC(=O)c1c(=O)o2)[C@@H]1[C@H](O3)O1,1
-kazius_143-27-1,CCCCCCCCCCCCCCCCN,0
-kazius_122-34-9,CCNc1nc(NCC)nc(n1)Cl,0
-kazius_152-18-1,COP(=S)(OC)OC,0
-kazius_608-93-5,Clc1cc(Cl)c(c(c1Cl)Cl)Cl,0
-kazius_2646-17-5,Cc1ccccc1/N=N/c1c(O)ccc2c1cccc2,1
-kazius_619-89-6,OC(=O)/C=C/c1ccc(cc1)[N+](=O)[O-],1
-kazius_627-05-4,CCCC[N+](=O)[O-],0
-kazius_14953-62-9,[O-][N+](=O)c1nc[nH]c1c1ccccc1,1
-kazius_100-61-8,CNc1ccccc1,0
-kazius_3778-73-2,ClCCN[P@]1(=O)OCCCN1CCCl,1
-kazius_28361-96-8,N[C@H](C(=O)O)CSCCCl,1
-kazius_9003-01-4,OC(=O)C=C,0
-kazius_106636-49-1,Clc1ccc(cc1)c1nc2n(c1[N+](=O)[O-])CCS2,1
-kazius_98046-72-1,ONc1cnc2c(c1C)nc1n2cccc1C,1
-kazius_124-30-1,CCCCCCCCCCCCCCCCCCN,0
-kazius_71382-45-1,Cc1c2[C@H]3N[C@H]3c3c(-c2cc2c1cccc2)cccc3,1
-kazius_471-34-1,OC(=O)O.[Ca+2],0
-kazius_10353-99-8,[O-][N+](=O)c1ccc2c3c1cccc3C=C2,1
-kazius_32066-79-8,OS(=O)(=O)O.Cc1ccc(cc1)[N+]#N,1
-kazius_35231-44-8,COc1ccc2c(c1)oc(=O)cc2CBr,0
-kazius_119-90-4,COc1cc(ccc1N)c1ccc(c(c1)OC)N,1
-kazius_78-30-8,Cc1ccccc1OP(=O)(Oc1ccccc1C)Oc1ccccc1C,1
-kazius_102791-34-4,O=c1oc2c3c4c1cccc4ccc3ccc2[N+](=O)[O-],1
-kazius_107-12-0,CCC#N,0
-kazius_16219-75-3,C/C=C/1\C[C@H]2C[C@@H]1C=C2,0
-kazius_79-29-8,CC(C(C)C)C,0
-kazius_625-45-6,COCC(=O)O,0
-kazius_13177-27-0,Nc1cccc2-c3c4c(-c12)cccc4ccc3,1
-kazius_53340-16-2,O[Cl](=O)(=O)=O.CC[N+](=c1ccc2-c(c1)oc1c(n2)c2ccccc2c(c1)N)CC,1
-kazius_5709-68-2,[O-][N+](=O)c1nc2c(n1C)cccc2,1
-kazius_13010-47-4,ClCCN(C(=O)NC1CCCCC1)N=O,1
-kazius_72917-35-2,Oc1ccc2c(c1)c1c([nH]2)c(C)cc(c1C)[N+](=O)[O-],1
-kazius_1007-36-9,CNC(=O)Nc1ccccc1,0
-kazius_61841-39-2,Nc1ccc(cc1)c1ccc(c(c1)[N+](=O)[O-])N,1
-kazius_16423-68-0,O=C1OC2(c3c1cccc3)c1cc(I)c(c(c1Oc1c2cc(I)c(c1I)O)I)O.[Na+].[Na+],0
-kazius_262-20-4,c1ccc2c(c1)Sc1c(O2)cccc1,0
-kazius_87-66-1,Oc1c(O)cccc1O,1
-kazius_87406-72-2,C=CC(=O)N(C[C@@H]1OC1)C[C@@H]1OC1,1
-kazius_117760-93-7,O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc(N)c2c1cccc2,1
-kazius_3351-32-4,Cc1ccc2c(c1)ccc1c2ccc2c1cccc2,1
-kazius_2274-11-5,C=CC(=O)OCCOC(=O)C=C,0
-kazius_86674-50-2,O[C@H]1[C@H](O)c2cccc3c2c2c1ccc(c2cc3)[N+](=O)[O-],1
-kazius_121-90-4,ClC(=O)c1cccc(c1)[N+](=O)[O-],1
-kazius_80-30-8,Cc1ccc(cc1)S(=O)(=O)NC1CCCCC1,0
-kazius_101-96-2,CC[C@H](Nc1ccc(cc1)N[C@@H](CC)C)C,0
-kazius_142-83-6,C/C=C/C=C/C=O,1
-kazius_132-86-5,Oc1cc2ccccc2c(c1)O,1
-kazius_139953-95-0,CCCO/C=C/C=C/C=C/C=C/C=C/CC,1
-kazius_99-33-2,ClC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],1
-kazius_49562-28-9,CC(OC(=O)C(Oc1ccc(cc1)C(=O)c1ccc(cc1)Cl)(C)C)C,0
-kazius_135295-00-0,OCc1ccc2-c3c4c(-c2c1)cccc4ccc3,1
-kazius_95-77-2,Oc1ccc(c(c1)Cl)Cl,0
-kazius_78859-43-5,CC(=C/C(=N/N=c/1\[nH]ncc2c1cccc2)/C)C.Cl,1
-kazius_505-23-7,C1CCSCS1,1
-kazius_781-43-1,Cc1c2ccccc2c(c2c1cccc2)C,1
-kazius_28434-86-8,Nc1ccc(cc1Cl)Oc1ccc(c(c1)Cl)N,1
-kazius_26078-25-1,CCNc1cc2oc(=O)cc(c2cc1C)C,0
-kazius_581-29-3,Nc1ccc2c(c1)nc1c(c2)cccc1,1
-kazius_13608-87-2,CC(=O)c1ccc(c(c1Cl)Cl)Cl,1
-kazius_91259-16-4,[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c(cc2)ccc1,1
-kazius_1165-39-5,COc1cc2O[C@H]3[C@H](c2c2c1c1CCOC(=O)c1c(=O)o2)C=CO3,1
-kazius_790-60-3,c1ccc2c(c1)cc1c(c2)c2Oc2c2c1cccc2,1
-kazius_470-90-6,CCOP(=O)(O/C(=C\Cl)/c1ccc(cc1Cl)Cl)OCC,0
-kazius_108342-09-2,[N-]=[N+]=NC[C@H](C(=O)O)N,1
-kazius_122-04-3,ClC(=O)c1ccc(cc1)[N+](=O)[O-],1
-kazius_57-92-1,OC[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H]([C@@H]([C@@H]3NC(=N)N)O)NC(=N)N)O[C@H]([C@]2(O)C=O)C)[C@@H]([C@@H]([C@H]1O)O)NC,1
-kazius_58336-35-9,O=c1ccc2c(o1)c1CCCN3c1c(c2)CCC3,1
-kazius_78-85-3,CC(=C)C=O,1
-kazius_132742-04-2,[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)CCC=C2,1
-kazius_2782-57-2,Oc1nc(Cl)nc(n1)Cl,0
-kazius_72-48-0,O=C1c2ccccc2C(=O)c2c1ccc(c2O)O,1
-kazius_162050-09-1,BrCC(=O)c1oc(c(c1Cl)Cl)[N+](=O)[O-],1
-kazius_959-23-9,COc1ccc(cc1)C(=O)/C=C/c1ccccc1,0
-kazius_6393-01-7,Cc1cc(N)c(cc1N)C,1
-kazius_612-23-7,ClCc1ccccc1[N+](=O)[O-],1
-kazius_99346-49-3,O=c1cn[nH]c(=O)[nH]1.NCCO,1
-kazius_844-26-8,Clc1cc(Cl)c(c(c1)S(=O)c1cc(Cl)cc(c1O)Cl)O,1
-kazius_25956-17-6,COc1cc(c(cc1/N=N/c1c(O)ccc2c1ccc(c2)S(=O)(=O)O)C)S(=O)(=O)O.[Na+].[Na+],0
-kazius_2415-85-2,O=C(Nc1ccc(cc1)C)CC(=O)C,0
-kazius_13360-63-9,CCCCNCC,0
-kazius_2645-07-0,OC(=O)CNC(=O)c1ccc(cc1)[N+](=O)[O-],1
-kazius_60692-90-2,c1ccc2-c3c([C@H]4[C@@H](c2c1)O4)ccc1c3cccc1,1
-kazius_54-31-9,OC(=O)c1cc(c(cc1NCc1ccco1)Cl)S(=O)(=O)N,0
-kazius_89415-69-0,BrCCOC(=O)C(=O)OCCBr,1
-kazius_106-87-6,C1O[C@H]1[C@@H]1CC[C@H]2[C@@H](C1)O2,1
-kazius_26921-17-5,O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C.OC(=O)/C=C\C(=O)O,0
-kazius_99520-58-8,Oc1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)cc2,1
-kazius_60564-31-0,[O-][N+](=O)c1cc2[nH]c3c(c2cc1N)cccc3,1
-kazius_746-53-2,O=C1c2cc(cc(c2-c2c1cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],1
-kazius_6673-35-4,O[C@@H](COc1ccc(cc1)NC(=O)C)CNC(C)C,0
-kazius_93261-88-2,BrCC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],1
-kazius_88598-56-5,[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1CCCC2,1
-kazius_420-46-2,CC(F)(F)F,0
-kazius_832-69-9,Cc1cccc2c1ccc1c2cccc1,1
-kazius_124-19-6,CCCCCCCCC=O,0
-kazius_122033-85-6,O[C@H]1[C@@H]2O[C@@H]2c2c([C@@H]1O)ccc1c2c(C)ccc1C,1
-kazius_2798-25-6,COc1cc(O)c2c(c1)oc1c(c2=O)c(O)ccc1O,1
-kazius_92-52-4,c1ccc(cc1)c1ccccc1,0
-kazius_88-16-4,Clc1ccccc1C(F)(F)F,0
-kazius_108-83-8,CC(CC(=O)CC(C)C)C,0
-kazius_99601-30-6,CCn1c(N)nc2c1ccc1c2ncc(n1)C,1
-kazius_91134-58-6,CC(COC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,1
-kazius_122-40-7,CCCCC/C(=C\c1ccccc1)/C=O,0
-kazius_2491-06-7,CN(CC(=O)O)C.Cl,0
-kazius_3416-21-5,Cc1ccc2c3c1CCc3c1c(-c3ccccc3[C@H]3[C@@H]1O3)c2,1
-kazius_1854-26-8,OCN1[C@H](O)[C@H](N(C1=O)CO)O,1
-kazius_97461-40-0,CC[C@H](NC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,1
-kazius_638-07-3,CCOC(=O)CC(=O)CCl,0
-kazius_122-59-8,OC(=O)COc1ccccc1,0
-kazius_105427-00-7,O=C([C@]1(C)OC1)NCc1ccccc1,1
-kazius_1197-55-3,OC(=O)Cc1ccc(cc1)N,1
-kazius_2113-57-7,Brc1cccc(c1)c1ccccc1,0
-kazius_606-37-1,[O-][N+](=O)c1cc(cc2c1cccc2)[N+](=O)[O-],1
-kazius_95-47-6,Cc1ccccc1C,0
-kazius_16757-82-7,Cc1cc2ccc3c4c2c(c1)ccc4cc1c3cccc1,1
-kazius_16354-50-0,CCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,0
-kazius_33703-08-1,CC(CCCCCCOC(=O)CCCCC(=O)OCCCCCCC(C)C)C,0
-kazius_120-80-9,Oc1ccccc1O,0
-kazius_38134-58-6,ClCCNC(=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,1
-kazius_621-95-4,Nc1ccc(cc1)CCc1ccc(cc1)N,1
-kazius_55256-57-0,Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)[C@@H]1C=CO[C@@H]1O2)CCC(O)(C)C,1
-kazius_962-58-3,CCOP(=O)(Oc1cc(C)nc(n1)C(C)C)OCC,1
-kazius_90147-19-6,[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OCCCC,1
-kazius_494-03-1,ClCCN(c1ccc2c(c1)cccc2)CCCl,1
-kazius_17526-24-8,CC(=O)OCc1c2ccccc2cc2c1ccc1c2cccc1,1
-kazius_141691-42-1,N#Cc1ccc2c(c1)n(C)c(n2)N,1
-kazius_142457-04-3,COC(=O)[C@@]12O[C@@]2(C)[C@](NC1=O)(O)C(C)C,1
-kazius_7779-16-0,O=C(c1ccccc1N)OC1CCCCC1,0
-kazius_580-19-8,Nc1ccc2c(c1)nccc2,1
-kazius_2186-24-5,Cc1ccc(cc1)OC[C@@H]1OC1,1
-kazius_123-75-1,C1CCCN1,0
-kazius_102-82-9,CCCCN(CCCC)CCCC,0
-kazius_10560-74-4,C[C@@H]1CNC(=O)N1c1ncc(s1)[N+](=O)[O-],1
-kazius_3083-25-8,ClC(C[C@@H]1OC1)(Cl)Cl,1
-kazius_100-01-6,Nc1ccc(cc1)[N+](=O)[O-],1
-kazius_104789-46-0,ClCCNC(=O)Sc1[nH]cnc2-c1ncn2,1
-kazius_122587-20-6,[O-][N+](=O)c1oc(c(c1Cl)Cl)C(=O)C,1
-kazius_130040-14-1,CC(=O)N(c1ccc(cc1)Sc1ccccc1)O,1
-kazius_94339-55-6,O[C@@H]1CC=Cc2c1cc1ccc3c4c1c2ccc4ccc3,1
-kazius_479-92-5,CC(c1c(C)n(n(c1=O)c1ccccc1)C)C,0
-kazius_116-54-1,COC(=O)C(Cl)Cl,1
-kazius_538-74-9,S(Cc1ccccc1)Cc1ccccc1,0
-kazius_6795-23-9,COc1cc2O[C@@H]3[C@@](c2c2c1c1CCC(=O)c1c(=O)o2)(O)C=CO3,1
-kazius_611-13-2,COC(=O)c1ccco1,0
-kazius_159092-78-1,[O-][N+](=O)c1ccc2c(c1)c1cccc(c1cc2[N+](=O)[O-])[N+](=O)[O-],1
-kazius_1689-89-0,N#Cc1cc(I)c(c(c1)[N+](=O)[O-])O,0
-kazius_120-14-9,COc1cc(C=O)ccc1OC,0
-kazius_1758-68-5,O=C1c2ccccc2C(=O)c2c1ccc(c2N)N,1
-kazius_95-83-0,Clc1ccc(c(c1)N)N,1
-kazius_91598-91-3,CC(=O)Nc1ccc2c3c1ccc1c3c(cc2)c(cc1)O,1
-kazius_146795-31-5,O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1C,1
-kazius_96918-17-1,[O-][N+](=O)c1oc2c(c1)cc1c3c2ccc2c3c(cc1)ccc2,1
-kazius_94764-55-3,[O-][N+](=O)c1ccc2c(c1)sc1c2cccc1,1
-kazius_10517-47-2,ONc1ccc(cc1)C(=O)C,1
-kazius_78914-75-7,CC(=O)OCc1ccc(cc1)/N=N/c1ccc(cc1)N(C)C,1
-kazius_84-11-7,O=C1C(=O)c2ccccc2-c2c1cccc2,0
-kazius_56856-83-8,O=NN(COC(=O)C)C,1
-kazius_64-17-5,CCO,0
-kazius_1340-08-5,Oc1cc(O)c2c(c1)oc(c(c2=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@H]([C@H]([C@H]1O)O)O)c1ccc(c(c1)O)O,0
-kazius_131432-92-3,C[C@H](C(=O)NCc1ccccc1)Br,1
-kazius_122088-20-4,O[C@H]1C=Cc2c([C@@H]1O)c1cc3c(nc1cc2)ccc1c3cccc1,1
-kazius_135086-96-3,CC(=O)Nc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]cc2,1
-kazius_52417-22-8,Nc1c2ccccc2nc2c1cccc2.Cl.O,1
-kazius_952-97-6,[O-][N+](=O)c1ccc(cc1)Sc1ccccc1,1
-kazius_50700-49-7,O=C1C=C/C(=N/C(=O)C)/C=C1,0
-kazius_133-06-2,ClC(SN1C(=O)[C@H]2[C@H](C1=O)CC=CC2)(Cl)Cl,1
-kazius_25155-25-3,CC(c1cccc(c1)C(OOC(C)(C)C)(C)C)(OOC(C)(C)C)C,0
-kazius_123-09-1,CSc1ccc(cc1)Cl,0
-kazius_6957-71-7,O=CNc1ccc2-c3c(Cc2c1)cccc3,1
-kazius_128-66-5,O=C1c2ccccc2-c2c3c1ccc1-c4ccccc4C(=O)c(c31)cc2,0
-kazius_77-09-8,Oc1ccc(cc1)C1(OC(=O)c2c1cccc2)c1ccc(cc1)O,0
-kazius_623-25-6,ClCc1ccc(cc1)CCl,0
-kazius_106-93-4,BrCCBr,1
-kazius_33813-20-6,S=C1SSC2=NCCN12,0
-kazius_513-85-9,C[C@H]([C@H](O)C)O,0
-kazius_999-29-1,CCOC(=O)CNC(=O)C=[N+]=[N-],1
-kazius_99520-64-6,c1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)[C@@H]1[C@H]2O1,1
-kazius_141-43-5,NCCO,0
-kazius_36164-42-8,CC(=O)Nc1ccc2c(c1)nccc2,1
-kazius_7704-40-7,Nc1ccc2c(c1)nc1c(n2)ccc(c1)N,1
-kazius_1912-24-9,CCNc1nc(NC(C)C)nc(n1)Cl,0
-kazius_157730-35-3,Cn1c(N)nc2c1cc1ccncc1n2,1
-kazius_205-82-3,c1ccc2c(c1)ccc1-c3c4c(-c21)cccc4ccc3,1
-kazius_947-72-8,Clc1cc2ccccc2c2c1cccc2,1
-kazius_17722-52-0,O=C(Nc1ccc(cc1)Cl)CCC(=O)O,0
-kazius_13909-09-6,ClCCN(C(=O)N[C@@H]1CC[C@H](CC1)C)N=O,1
-kazius_142438-62-8,COC(=O)[C@@]12O[C@@]2(C)[C@@](NC1=O)(C)O,1
-kazius_133591-35-2,[O-][N+](=O)c1ccc2c(c1)c1c([nH]2)c(C)cc(c1C)[N+](=O)[O-],1
-kazius_81340-58-1,[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2cccc3)ccc1,1
-kazius_73198-02-4,OC[C@@H]1N[C@@H](Cc2c1[nH]c1c2cccc1)C(=O)O,0
-kazius_107-07-3,OCCCl,1
-kazius_17024-18-9,[O-][N+](=O)c1ccc2c(c1)ccc1c2cccc1,1
-kazius_96-33-3,COC(=O)C=C,0
-kazius_3694-52-8,[O-][N+](=O)c1cccc(c1N)N,1
-kazius_4251-89-2,ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2cccc1)CC.Cl.Cl,1
-kazius_880-93-3,[O-][N+](=O)c1ccc(c2c1cccc2)C,1
-kazius_101-72-4,CC(Nc1ccc(cc1)Nc1ccccc1)C,0
-kazius_93673-32-6,c1ccc2c(c1)cc1c3c2[C@H]2O[C@H]2c3cc2c1cccc2,1
-kazius_6691-68-5,CN(CCCNc1c2ccccc2nc2c1cccc2[N+](=O)[O-])C,1
-kazius_1163-19-5,Brc1c(Oc2c(Br)c(Br)c(c(c2Br)Br)Br)c(Br)c(c(c1Br)Br)Br,0
-kazius_106-27-4,CCCC(=O)OCCC(C)C,0
-kazius_99522-79-9,COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OC/C=C/c1ccccc1)C,0
-kazius_16301-26-1,CC/N=[N+](/CC)\[O-],0
-kazius_137-17-7,Cc1cc(N)c(cc1C)C,1
-kazius_91828-72-7,O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc([N+](=O)[O-])c2c1cccc2,1
-kazius_1563-66-2,CNC(=O)Oc1cccc2c1OC(C2)(C)C,0
-kazius_95-53-4,Cc1ccccc1N,1
-kazius_1122-58-3,CN(c1ccncc1)C,0
-kazius_3096-63-7,ONc1c(C)cccc1C,1
-kazius_602-87-9,[O-][N+](=O)c1ccc2c3c1cccc3CC2,1
-kazius_15403-45-9,COC(=O)c1cc(ccc1N)c1ccc(c(c1)C(=O)OC)N,1
-kazius_142-78-9,CCCCCCCCCCCC(=O)NCCO,0
-kazius_79-41-4,CC(=C)C(=O)O,0
-kazius_85-82-5,Cc1cc(C)cc(c1)/N=N/c1c(O)ccc2c1cccc2,0
-kazius_98911-23-0,OC[C@H]1O[C@@H](ON(c2ccc(cc2)Oc2ccc(cc2)Cl)C(=O)C)[C@@H]([C@H]([C@@H]1O)O)O.O,1
-kazius_35300-54-0,CCCC(=O)OCc1ccc(cc1)[N+](=O)[O-],1
-kazius_104-67-6,CCCCCCC[C@@H]1CCC(=O)O1,0
-kazius_139-13-9,OC(=O)CN(CC(=O)O)CC(=O)O,0
-kazius_2978-11-2,CC(N/C(=N\C(C)C)/OCc1ccc(cc1)[N+](=O)[O-])C,1
-kazius_89-57-6,Nc1ccc(c(c1)C(=O)O)O,0
-kazius_8022-00-2,CCSCCOP(=S)(OC)OC.CCSCCSP(=O)(OC)OC,0
-kazius_218-08-6,c1ccc2c(c1)c1ccc3c(c1cc2)cccn3,1
-kazius_14097-03-1,Clc1cc(ccc1/N=N/c1ccc(cc1)CCNCC[N+](C)(C)C)[N+](=O)[O-],1
-kazius_5522-43-0,[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)ccc1,1
-kazius_77-81-6,CCO[P@@](=O)(N(C)C)C#N,0
-kazius_2950-01-8,CC(c1cc(/C=C/c2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)cc(c1O)C(C)(C)C)(C)C,0
-kazius_634-93-5,Clc1cc(Cl)c(c(c1)Cl)N,0
-kazius_367-51-1,OC(=O)CS.[Na+],0
-kazius_106-63-8,C=CC(=O)OCC(C)C,0
-kazius_5493-45-8,O=C([C@H]1CCCC[C@@H]1C(=O)OC[C@@H]1OC1)OC[C@@H]1OC1,1
-kazius_159092-84-9,[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1c(c2)[N+](=O)[O-])[N+](=O)[O-],1
-kazius_2855-13-2,NC[C@]1(C)C[C@H](N)CC(C1)(C)C,0
-kazius_43192-03-6,ONc1ccc(c(c1)[N+](=O)[O-])C,0
-kazius_29082-74-4,ClC(=C(c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl)Cl)Cl,0
-kazius_3025-52-3,CCN(c1ccc(cc1)/N=N/c1ccc(cc1)[N+](=O)[O-])CC,1
-kazius_120812-48-8,[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2cccc3)c(cc1)[N+](=O)[O-],1
-kazius_627-72-5,N[C@H](C(=O)O)CS/C(=C/Cl)/Cl,1
-kazius_92118-27-9,ClCCN(C(=O)N[C@@H](P(=O)(OCC)OCC)C)N=O,1
-kazius_481-72-1,OCc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)ccc1,1
-kazius_112309-61-2,O[C@@H]1OC(=O)C(=C1C)Cl,1
-kazius_216-48-8,c1ccc2c(c1)c1cc3C=Cc4c3c(c1cc2)ccc4,1
-kazius_136112-70-4,Nc1nc(nc2c1ncn2c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],1
-kazius_1943-79-9,CNC(=O)Oc1ccccc1,0
-kazius_8003-22-3,O=C1C(c2ccc3c(n2)cccc3)C(=O)c2c1cccc2,1
-kazius_524-42-5,O=C1C=Cc2c(C1=O)cccc2,1
-kazius_540-80-7,O=NOC(C)(C)C,1
-kazius_2393-18-2,OC(=O)/C=C/c1ccc(cc1)N,0
-kazius_93-27-6,COc1cc(ccc1NC(=O)C)[N+](=O)[O-],1
-kazius_485-47-2,O=C1c2ccccc2C(=O)C1(O)O,0
-kazius_135561-93-2,NNc1nnc(c2c1c1ccccc1[nH]2)n1nc(cc1C)C.Cl,0
-kazius_91254-92-1,Oc1cc2cccc3c2c2c1c(ccc2cc3)[N+](=O)[O-],1
-kazius_828-00-2,C[C@@H]1O[C@@H](C)O[C@H](C1)OC(=O)C,1
-kazius_4947-27-7,Cc1ccc2c(c1Nc1ccccc1)C(=O)c1c(C2=O)cccc1,1
-kazius_158366-46-2,[O-][N+](=O)c1cc(n(c1C(=O)C)[N+](=O)[O-])[N+](=O)[O-],1
-kazius_118-75-2,ClC1=C(Cl)C(=O)C(=C(C1=O)Cl)Cl,1
-kazius_108-78-1,Nc1nc(N)nc(n1)N,0
-kazius_51787-75-8,Nc1cc(ccc1c1ccc(cc1)[N+](=O)[O-])[N+](=O)[O-],1
-kazius_488-23-3,Cc1c(C)ccc(c1C)C,0
-kazius_138835-33-3,[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)[n+](c2c1cccc2)[O-],1
-kazius_6633-40-5,Oc1ccc2-c3c(Cc2c1)cc(cc3)[N+](=O)[O-],1
-kazius_3102-87-2,Cc1c(N)c(C)c(c(c1C)N)C,0
-kazius_7779-77-3,CC(COC(=O)c1ccccc1N)C,0
-kazius_14953-63-0,[O-][N+](=O)c1n(C)cnc1c1ccccc1,1
-kazius_35604-67-2,CCOc1ccccc1OC[C@@H]1CNCCO1.Cl,0
-kazius_622-51-5,NC(=O)Nc1ccc(cc1)C,0
-kazius_55984-51-5,O=NN(CC(=O)C)C,1
-kazius_81593-15-9,ClN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,1
-kazius_139883-82-2,OC(=O)CC[C@@H](C(=O)O)N.O.N,0
-kazius_6112-76-1,Sc1ncnc2c1[nH]cn2.O,1
-kazius_79-11-8,OC(=O)CCl,0
-kazius_80830-42-8,SCCC(=O)N1[C@@H](CS[C@H]1c1ccccc1O)C(=O)O,0
-kazius_75-55-8,C[C@H]1CN1,1
-kazius_98046-73-2,ONc1cnc2c(c1)nc1n2cccc1,1
-kazius_27602-80-8,COc1cc(ccc1OC)C[C@H]1CO1,1
-kazius_120-75-2,Cc1nc2c(s1)cccc2,0
-kazius_196-77-0,c1cc2ccc3c4c2c(c1)ccc4c1c2c3cccc2C=C1,1
-kazius_38915-38-7,CCCCOc1ccc2c(n1)c(NCCCNCCCl)c1c(n2)cc(cc1)Cl.Cl.Cl.O,1
-kazius_77094-11-2,Cc1cc2ncccc2c2c1n(C)c(n2)N,1
-kazius_1028-11-1,[O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1ccccn1,0
-kazius_2564-83-2,ON1C(C)(C)CCCC1(C)C,0
-kazius_25081-31-6,O=NN(CC(=O)O)CC(=O)O,1
-kazius_3420-97-1,CCOc1ccc(cc1)N=O,1
-kazius_118517-20-7,CC(CCC[C@H]([C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C[C@H]2[C@@]3([C@]1(C)CC[C@@H](C3)OC(=O)C)N2N1C(=O)c2c(C1=O)cccc2)C)C,1
-kazius_68041-18-9,OS(=O)(=O)OCc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1.[Na+],1
-kazius_61421-82-7,COc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,1
-kazius_75605-59-3,C[n+]1c2ccccc2cc2c1cccc2N.Cl,1
-kazius_108529-37-9,CC(=O)Nc1nc2c(n1C)ccc1c2cccn1,1
-kazius_117-10-2,Oc1cccc2c1C(=O)c1c(C2=O)cccc1O,1
-kazius_23445-00-3,OC[C@H]1O[C@@H](Oc2cc(OC)cc3c2c(=O)c2c(o3)c(O)ccc2O)[C@@H]([C@H]([C@@H]1O)O)O,1
-kazius_25377-73-5,CCCCCCCCCC/C=C/[C@H]1CC(=O)OC1=O,0
-kazius_98931-06-7,CCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C#N)C[C@@H](C1)C,1
-kazius_13177-28-1,[O-][N+](=O)c1ccc2c3c1-c1ccccc1-c3ccc2,1
-kazius_102408-25-3,Cn1c(N)nc2c1c1cccnc1cc2,1
-kazius_5598-15-2,CCOP(=O)(Oc1nc(Cl)c(cc1Cl)Cl)OCC,0
-kazius_57-57-8,C1COC1=O,1
-kazius_50-21-5,OC(=O)[C@H](O)C,0
-kazius_76547-98-3,NCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N[C@H](C(=O)O)CCc1ccccc1,0
-kazius_81-11-8,Nc1ccc(c(c1)S(=O)(=O)O)/C=C/c1ccc(cc1S(=O)(=O)O)N,0
-kazius_102-77-2,O1CCN(CC1)Sc1nc2c(s1)cccc2,0
-kazius_1929-73-3,CCCCOCCOC(=O)COc1ccc(cc1Cl)Cl,0
-kazius_87679-37-6,CCOC(=O)[C@@H](N[C@H](C(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C(=O)O)C)CCc1ccccc1,0
-kazius_90-02-8,O=Cc1ccccc1O,0
-kazius_2642-98-0,Nc1cc2c(c3c1cccc3)ccc1c2cccc1,1
-kazius_16110-09-1,Clc1ccc(cn1)Cl,0
-kazius_709-98-8,CCC(=O)Nc1ccc(c(c1)Cl)Cl,0
-kazius_1152-48-3,O=C(c1ccc(cc1)[N+](=O)[O-])/C=C/c1ccccc1,1
-kazius_86674-51-3,O=Nc1ccc2c3c1ccc1c3c(cc2)ccc1,1
-kazius_448-97-5,Nc1ccc(cc1F)c1ccc(c(c1)F)N,1
-kazius_111-94-4,N#CCCNCCC#N,0
-kazius_66931-57-5,O(Cc1cccc2c1cccc2)C[C@H]1CO1,1
-kazius_70-34-8,[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])F,1
-kazius_21340-68-1,COC(=O)C(Oc1ccc(cc1)c1ccc(cc1)Cl)(C)C,0
-kazius_142-84-7,CCCNCCC,0
-kazius_481-42-5,CC1=CC(=O)c2c(C1=O)cccc2O,1
-kazius_24370-25-0,NC(=O)Nc1nc2c([nH]1)cccc2,1
-kazius_64099-25-8,COc1nsc2c1cccc2[N+](=O)[O-],1
-kazius_140-03-4,CCCCCC[C@@H](OC(=O)C)C/C=C\CCCCCCCC(=O)OC,0
-kazius_393-75-9,[O-][N+](=O)c1cc(cc(c1Cl)[N+](=O)[O-])C(F)(F)F,0
-kazius_75-91-2,OOC(C)(C)C,1
-kazius_103088-83-1,O=C1C=Cc2c(C1=O)c1ccc3c(c1cc2)cccc3,1
-kazius_90147-31-2,CCCNC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],1
-kazius_99-34-3,OC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],1
-kazius_4584-57-0,CN(c1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-])C,1
-kazius_3344-12-5,CCOC(=O)C[C@@H](C(=O)OCC)S[P@](=O)(SC)OC,0
-kazius_6146-52-7,[O-][N+](=O)c1ccc2c(c1)cc[nH]2,1
-kazius_95-78-3,Cc1ccc(c(c1)N)C,1
-kazius_104671-59-2,CNC(=O)ONC(=O)C,1
-kazius_146795-26-8,COc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],1
-kazius_60883-97-8,Cc1ccc(cc1)S(=O)(=O)N1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,1
-kazius_31698-14-3,OC[C@H]1O[C@H]2[C@H]([C@@H]1O)Oc1n2ccc(=N)n1,0
-kazius_982-57-0,OC(=O)CCC(=O)OC[C@@H]([C@@H](c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl.[Na+],0
-kazius_620-25-7,ONc1cccc(c1)C,1
-kazius_610-28-6,[O-][N+](=O)c1ccc(c(c1)C(=O)O)[N+](=O)[O-],1
-kazius_146-59-8,ClCCN(CCCNc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)CC.Cl.Cl,1
-kazius_86607-81-0,[O-][N+](=O)c1cccc2c1oc1c2cccc1,1
-kazius_145439-00-5,O=NN(C(=O)c1n(C)cnc1N(C(=O)OC(C)(C)C)C)C,1
-kazius_591-27-5,Nc1cccc(c1)O,1
-kazius_59485-08-4,[O-][N+](=O)c1ccc(cc1)O[C@@H]1OC1,1
-kazius_89-63-4,Clc1ccc(c(c1)[N+](=O)[O-])N,1
-kazius_60259-80-5,Cc1ccc(cc1)/N=N/NCc1ccc(cc1)[N+](=O)[O-],1
-kazius_3585-32-8,CN/N=N/C,1
-kazius_83-26-1,O=C(C(C)(C)C)C1C(=O)c2c(C1=O)cccc2,0
-kazius_56980-96-2,O[C@@H](COc1ccc(cc1C(=O)C)NC(=O)N)CNC(C)(C)C,1
-kazius_144-80-9,CC(=O)NS(=O)(=O)c1ccc(cc1)N,0
-kazius_70458-92-3,CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C)c(c2)F,1
-kazius_68-89-3,CN(c1c(C)n(n(c1=O)c1ccccc1)C)CS(=O)(=O)O.[Na+],1
-kazius_72869-86-4,O=C(NNC(=O)OCCOC(=O)C(=C)C)OCCOC(=O)C(=C)C,0
-kazius_1649-18-9,Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccccn1,0
-kazius_107-68-6,CNCCS(=O)(=O)O,0
-kazius_579-66-8,CCc1cccc(c1N)CC,1
-kazius_612-24-8,N#Cc1ccccc1[N+](=O)[O-],0
-kazius_4539-51-9,Nc1ccc2c(c1)[nH]c1c2cccc1,1
-kazius_4403-61-6,C/C(=C\C)/C#N,0
-kazius_110021-94-8,[N-]=[N+]=Nc1ccc2c(c1)c(Nc1ccc(cc1)NS(=O)(=O)C)c1c(n2)cccc1,1
-kazius_85-22-3,CCc1c(Br)c(Br)c(c(c1Br)Br)Br,0
-kazius_599-79-1,OC(=O)c1cc(/N=N/c2ccc(cc2)S(=O)(=O)Nc2ccccn2)ccc1O,0
-kazius_116-85-8,Oc1ccc(c2c1C(=O)c1ccccc1C2=O)N,1
-kazius_106-88-7,CC[C@H]1CO1,1
-kazius_5857-92-1,[O-]/[N+](=N\c1ccc(c(c1)N)C)/c1ccc(c(c1)N)C,1
-kazius_99520-59-9,Oc1ccc2-c3c4c(-c2c1)ccc1c4c2c(c3)cccc2cc1,1
-kazius_4559-64-2,Clc1ccc2c(c1)nc1c(n2)cc(c(c1)N)N,1
-kazius_141-38-8,CCCCCCCC[C@@H]1O[C@H]1CCCCCCCC(=O)OC[C@@H](CCCC)CC,0
-kazius_505-60-2,ClCCSCCCl,1
-kazius_3025-77-2,Nc1ccc2c(c1/N=N/c1ccc(cc1)[N+](=O)[O-])cccc2,1
-kazius_146177-60-8,Cc1cnc2c(n1)c1nc(n(c1c(c2C)C)C)N,1
-kazius_68-04-2,OC(=O)C(CC(=O)O)(CC(=O)O)O.[Na+].[Na+].[Na+],0
-kazius_60504-57-6,COC(=O)[C@@H]1c2cc3c(c(c2[C@@H](C[C@]1(O)CC)O[C@@H]1O[C@@H](C)[C@@H]([C@H](C1)N(C)C)O)O)C(=O)c1c(C3=O)cccc1O,1
-kazius_119-61-9,O=C(c1ccccc1)c1ccccc1,0
-kazius_7390-93-4,CC(=O)O[C@@H]1Cc2c3c1c(C)ccc3cc1c2ccc2c1cccc2,1
-kazius_109-64-8,BrCCCBr,0
-kazius_14882-94-1,C=CC(c1cc2cc3C[C@H](Oc3cc2oc1=O)C(OC(=O)C)(C)C)(C)C,0
-kazius_79660-72-3,FCCn1cc(C(=O)O)c(=O)c2c1c(F)c(N1CCN(CC1)C)c(c2)F,1
-kazius_88598-57-6,[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)CCCC2,1
-kazius_142438-57-1,COC(=O)[C@@]12O[C@@]2(C)[C@@](OC1=O)(C)O,1
-kazius_105467-67-2,Oc1cccc2c1ccc1c2cc2c(n1)ccc1c2cccc1,0
-kazius_57-27-2,O[C@H]1C=C[C@@H]2[C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1O,0
-kazius_88-17-5,Nc1ccccc1C(F)(F)F,0
-kazius_148-65-2,CN(CCN(c1ccccn1)Cc1ccc(s1)Cl)C,0
-kazius_99601-31-7,CCn1c(N)nc2c1ccc1c2nc(cn1)C,1
-kazius_14098-44-3,O1CCOCCOc2c(OCCOCC1)cccc2,0
-kazius_2876-22-4,Nc1cccc2c1nc1ccccc1n2,1
-kazius_612-60-2,Cc1ccc2c(c1)nccc2,1
-kazius_1072-43-1,C[C@H]1CS1,0
-kazius_4560-58-1,O[C@@H]1CC[C@]2([C@H](C1)CC[C@H]1[C@H]2CC(=O)[C@@]2([C@@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C,0
-kazius_71839-05-9,OS(=O)(=O)OCc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,1
-kazius_824-69-1,Oc1cc(Cl)c(cc1Cl)O,0
-kazius_97461-41-1,O=C(/C=C/c1ccc(o1)[N+](=O)[O-])NCC(C)(C)C,1
-kazius_112653-29-9,OCC(N[C@@H]1C[C@](O)(CO)[C@@H]([C@H]([C@@H]1O)O)O)CO,0
-kazius_765-87-7,O=C1CCCCC1=O,1
-kazius_6473-13-8,Nc1ccc(c(c1)N)/N=N/c1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)/N=N/c1ccc(cc1)Nc1ccc(cc1S(=O)(=O)O)/N=N/c1c(O)c2cc(/N=N/c3ccc(cc3N)N)ccc2cc1S(=O)(=O)O,1
-kazius_3989-90-0,[O-][N+](=O)c1ccc2c(c1)ccc1c2ccc2c1cccc2,1
-kazius_111070-57-6,[O-][N+](=O)c1ccc(o1)/C=N/n1c(=O)cc(cc1c1ccccc1)c1ccccc1,1
-kazius_121-61-9,CC(=O)Nc1ccc(cc1)S(=O)(=O)N,0
-kazius_111-64-8,CCCCCCCC(=O)Cl,1
-kazius_101-67-7,CCCCCCCCc1ccc(cc1)Nc1ccc(cc1)CCCCCCCC,0
-kazius_62783-49-7,O=NN(Cc1cccc(c1)C)C,1
-kazius_1222-98-6,O=C(c1ccccc1)/C=C/c1ccc(cc1)[N+](=O)[O-],1
-kazius_6629-29-4,Nc1cc(N)c(c(c1)[N+](=O)[O-])C,1
-kazius_105427-01-8,O=C([C@]1(C)OC1)Nc1ccccc1,1
-kazius_80556-89-4,OCCN(CC(=O)O)N=O,1
-kazius_7085-85-0,CCOC(=O)C(=C)C#N,0
-kazius_86-57-7,[O-][N+](=O)c1cccc2c1cccc2,1
-kazius_5460-35-5,O=C1C=C(N)c2c(C1=O)cccc2,1
-kazius_74550-97-3,O=C1CN(CCN2CC(=O)N(C(=O)C2)CN2CCOCC2)CC(=O)N1CN1CCOCC1,1
-kazius_16757-83-8,Cc1cc2cc3ccccc3c3c2c2c1cccc2cc3,1
-kazius_553-97-9,O=C1C=CC(=O)C(=C1)C,0
-kazius_135768-83-1,Oc1ccc2c(c1)CCC1C2CC[C@]2([C@]31CC[C@@]2([C@@H](C3)O)O)C,0
-kazius_115-39-9,Oc1c(Br)cc(cc1Br)C1(OS(=O)(=O)c2c1cccc2)c1cc(Br)c(c(c1)Br)O,0
-kazius_56183-24-5,O[C@@H]1c2ccccc2-c2c([C@H]1O)c1ccccc1cc2,0
-kazius_99803-60-8,O=Nc1ccc(cc1C)OP(=S)(OC)OC,1
-kazius_79-36-7,ClC(=O)C(Cl)Cl,1
-kazius_2082-81-7,O=C(C(=C)C)OCCCCOC(=O)C(=C)C,0
-kazius_535-80-8,Clc1cccc(c1)C(=O)O,0
-kazius_565-64-0,OC(=O)[C@@H](CCl)Cl,0
-kazius_641-90-7,Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)c(c(c1)C)O,1
-kazius_621-96-5,Nc1ccc(cc1)/C=C/c1ccc(cc1)N,1
-kazius_1709-52-0,CNS(=O)(=O)c1ccc(cc1)N,0
-kazius_55256-58-1,COc1c2c(O[C@H]3[C@H]2C=CO3)cc2c1c(=O)c1c(o2)ccc(c1OC)Cl,1
-kazius_98033-21-7,Oc1ccc2c(c1)c1c(cc2)ccc2c1ccn2C,1
-kazius_10087-89-5,C#CC(c1ccccc1)(c1ccccc1)OC(=O)NC1CCCCC1,1
-kazius_145-49-3,Nc1ccc(c2c1C(=O)c1c(O)ccc(c1C2=O)N)O,1
-kazius_108-18-9,CC(NC(C)C)C,0
-kazius_4901-51-3,Clc1c(O)cc(c(c1Cl)Cl)Cl,0
-kazius_590-17-0,BrCC#N,0
-kazius_1951-56-0,CC(NC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,1
-kazius_57491-68-6,Nc1ccccc1SCSc1ccccc1N,1
-kazius_2832-19-1,OCNC(=O)CCl,0
-kazius_69839-83-4,ONC(=O)c1ccc(c(c1)O)O,1
-kazius_2871-01-4,OCCNc1ccc(cc1[N+](=O)[O-])N,1
-kazius_112-80-1,CCCCCCCC/C=C/CCCCCCCC(=O)O,0
-kazius_2451-62-9,O=c1n(C[C@@H]2OC2)c(=O)n(c(=O)n1C[C@@H]1OC1)C[C@@H]1OC1,1
-kazius_88-53-9,Cc1cc(N)c(cc1Cl)S(=O)(=O)O,0
-kazius_513-31-5,BrCC(=C)Br,1
-kazius_33229-34-4,OCCNc1ccc(cc1[N+](=O)[O-])N(CCO)CCO,1
-kazius_65267-04-1,ClCCN(C(=O)NCC(=O)N)N=O,1
-kazius_100-02-7,Oc1ccc(cc1)[N+](=O)[O-],0
-kazius_19770-52-6,c1ccc2c(c1)cc1c3c2C=Cc3c2c(c1)cccc2,1
-kazius_75607-61-3,ClCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,1
-kazius_6724-53-4,C1CC[C@@H](NC1)CC(C1CCCCC1)C1CCCCC1.OC(=O)/C=C\C(=O)O,0
-kazius_6639-36-7,[O-][N+](=O)c1ccc2c(c1)c1ccccc1s2,1
-kazius_5273-86-9,C/C=C\c1cc(OC)c(cc1OC)OC,1
-kazius_94339-56-7,O[C@@H]1C=Cc2c(C1)cc1c3c2ccc2c3c(cc1)ccc2,1
-kazius_462-60-2,NC(=O)NCC(=O)O,0
-kazius_106-58-1,CN1CCN(CC1)C,0
-kazius_70055-49-1,CN(/N=N/c1ccc(cc1)C(=O)O)C.[K+],0
-kazius_159092-79-2,[O-][N+](=O)c1ccc2c(c1)c(cc1c2cccc1[N+](=O)[O-])[N+](=O)[O-],1
-kazius_7085-19-0,OC(=O)[C@H](Oc1ccc(cc1C)Cl)C,0
-kazius_2213-63-0,Clc1nc2ccccc2nc1Cl,0
-kazius_110-18-9,CN(CCN(C)C)C,0
-kazius_95-84-1,Cc1ccc(c(c1)N)O,1
-kazius_114460-40-1,Oc1ccc2c(c1)c1c(cc2)c(C)cc2c1nc([nH]2)C,1
-kazius_146795-32-6,CCc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],1
-kazius_2243-47-2,Nc1cccc(c1)c1ccccc1,1
-kazius_64-18-6,OC=O,0
-kazius_105052-38-8,[O-][N+](=O)C1=Cc2c3c(O1)cccc3ccc2,1
-kazius_148193-38-8,O=c1n(C[C@H]2CO2)sc2c1ccc(c2)OC[C@H]1CO1,1
-kazius_491-64-5,COc1ccc2c(c1)c(=O)c1c(o2)cc(cc1O)O,1
-kazius_1606-67-3,Nc1ccc2c3c1ccc1c3c(cc2)ccc1,1
-kazius_1204-41-7,Nc1ccc(cc1)c1ccccc1C,1
-kazius_60414-81-5,C[C@H](OC(=O)C)CN(C[C@@H](OC(=O)C)C)N=O,1
-kazius_2499-95-8,CCCCCCOC(=O)C=C,0
-kazius_83996-50-3,CSCC[C@@H](C(=O)OCC)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)F)N)Cc1cccc(c1)N(CCCl)CCCl.Cl,1
-kazius_3175-89-1,CN1CCc2c3[C@H]1[C@H](O)c1ccccc1-c3c1c(c2)OCO1,1
-kazius_605-94-7,COC1=C(OC)C(=O)C(=CC1=O)C,0
-kazius_73536-69-3,COC(=O)c1cc(OC)c2c(c1c1c(cc(c3c1OCO3)OC)C(=O)OC)OCO2,0
-kazius_83-32-9,c1cc2cccc3c2c(c1)CC3,0
-kazius_104-98-3,OC(=O)/C=C/c1c[nH]cn1,0
-kazius_10048-13-2,COc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)C=CO3,1
-kazius_135-88-6,c1ccc(cc1)Nc1ccc2c(c1)cccc2,0
-kazius_15687-27-1,CC(Cc1ccc(cc1)[C@@H](C(=O)O)C)C,0
-kazius_31430-15-6,COC(=O)Nc1[nH]c2c(n1)cc(cc2)C(=O)c1ccc(cc1)F,0
-kazius_530-78-9,OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F,0
-kazius_133-07-3,ClC(SN1C(=O)c2c(C1=O)cccc2)(Cl)Cl,1
-kazius_3328-25-4,OO[C@]12C=C[C@@H]3[C@@H]([C@@]2(C)CC[C@@H](C1)O)CC[C@]1([C@H]3CC[C@H]1[C@@H](CCCC(C)C)C)C,1
-kazius_823-40-5,Nc1cccc(c1C)N,1
-kazius_72-55-9,ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl,0
-kazius_84174-24-3,O=NN(Cc1ccc(cc1)[N+](=O)[O-])C,1
-kazius_479-27-6,Nc1cccc2c1c(N)ccc2,1
-kazius_201-06-9,c1ccc2c(c1)cc1c3c2cccc3C=C1,1
-kazius_75-31-0,CC(N)C,0
-kazius_134682-95-4,CCCC[C@H](COC(=O)c1ccc(c(c1)[N+](=O)[O-])N(C)C)CC,1
-kazius_82419-36-1,CN1CCN(CC1)c1c(F)c(C(=O)O)c2c3c1OC[C@H](n3ccc2=O)C,1
-kazius_97-99-4,OC[C@H]1CCCO1,0
-kazius_513-86-0,CC(=O)[C@H](O)C,0
-kazius_2058-02-8,[O-][N+](=O)c1cc(C(=O)O)c(c2c1C(=O)c1ccccc1C2=O)N,1
-kazius_33704-61-9,O=C1CCCC2=C1C(C)(C)[C@@H](C2(C)C)C,0
-kazius_33389-33-2,O=C1N[C@H](Nc2c1cccc2)c1ccc(s1)[N+](=O)[O-],1
-kazius_7085-55-4,OCCOc1cc(O)c2c(c1)oc(c(c2=O)O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O[C@H]1O[C@@H](C)[C@@H]([C@@H]([C@@H]1O)O)O)c1ccc(c(c1)OCCO)OCCO,0
-kazius_84434-45-7,Cc1ccccc1/N=N/c1ccc(c(c1N)C)N,1
-kazius_217-59-4,c1ccc2c(c1)c1ccccc1c1c2cccc1,1
-kazius_15323-35-0,C[C@@H]1C(C)(C)c2c(C1(C)C)cc(c(c2)C)C(=O)C,0
-kazius_110-54-3,CCCCCC,0
-kazius_38915-14-9,ClCCN(CCCNc1c2ccccc2nc2c1cccc2OC)CC.Cl.Cl,1
-kazius_192-97-2,c1ccc2c(c1)c1cccc3c1c1c2cccc1cc3,1
-kazius_3520-42-1,CCN(c1ccc2c(c1)oc1-c(c2c2ccc(cc2S(=O)(=O)O)S(=O)(=O)O)ccc(=[N+](CC)CC)c1)CC.[Na+],1
-kazius_158321-20-1,[O-][N+](=O)c1c(N)ccc2c1[nH]c1c2cccc1,1
-kazius_20921-50-0,C#C[C@](c1ccc(c(c1)C)C)(c1ccccc1)OC(=O)NC1CCCCC1,1
-kazius_2179-59-1,CCCSSCC=C,0
-kazius_109-70-6,ClCCCBr,1
-kazius_37151-16-9,OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(nc2N)c1ccc(cc1)[N+](=O)[O-],1
-kazius_157730-36-4,Cn1c(N)nc2c1cc1cnccc1n2,0
-kazius_947-73-9,Nc1cc2ccccc2c2c1cccc2,1
-kazius_4533-39-5,CN(CCCNc1c2ccccc2nc2c1c(ccc2)[N+](=O)[O-])C,1
-kazius_17026-81-2,CCOc1ccc(cc1N)NC(=O)C,1
-kazius_103-33-3,c1ccc(cc1)/N=N/c1ccccc1,1
-kazius_95791-46-1,Clc1cc2c(c3c1cccc3)ccc1c2cccc1,1
-kazius_171866-15-2,OC[C@@]1(O)C[C@H](O[C@@H]2O[C@@H](C)[C@H]([C@H]([C@H]2I)O)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2,1
-kazius_142438-63-9,COC(=O)[C@@]12O[C@@]2(CC)[C@@](NC1=O)(C)O,1
-kazius_105500-28-5,O[C@@H]1[C@@H](O)[C@@H]2O[C@@H]2c2c1ccc1c2cc2c(n1)ccc1c2cccc1,1
-kazius_142022-84-2,O=S1(=O)c2cc3ccccc3c3c2c2c1cccc2cc3,1
-kazius_5329-87-3,[O-][N+](=O)c1ccc2-c3ccccc3CCc2c1,1
-kazius_63-74-1,Nc1ccc(cc1)S(=O)(=O)N,0
-kazius_88-23-3,Clc1cc(N)c(c(c1)S(=O)(=O)O)O,0
-kazius_125486-24-0,ClCCN(c1ccc(cc1)CCCNc1c2ccccc2nc2c1cccc2)CC,1
-kazius_108-90-7,Clc1ccccc1,0
-kazius_91897-48-2,C=CCn1cc2c3c1cccc3[C@H]1[C@@H](C2)N(C)CC(=C1)CO,1
-kazius_93-58-3,COC(=O)c1ccccc1,0
-kazius_91379-15-6,CCCC/C=C/C=C/C=C/C=C/C=C/OC[C@@H](CO)O,1
-kazius_24684-41-1,Cc1cc2CCCc2c2c1c1ccccc1cc2,0
-kazius_109-89-7,CCNCC,0
-kazius_614-45-9,O=C(c1ccccc1)OOC(C)(C)C,1
-kazius_117-05-5,O=C(c1ccccc1)Nc1cccc2c1C(=O)c1c(C2=O)c(Cl)ccc1,1
-kazius_17024-19-0,[O-][N+](=O)c1ccc2c(c1)c1ccccc1cc2,1
-kazius_56-53-1,CC/C(=C(\c1ccc(cc1)O)/CC)/c1ccc(cc1)O,0
-kazius_6755-13-1,CN(C(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,1
-kazius_77-46-3,CC(=O)Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)NC(=O)C,0
-kazius_613-65-0,CN(c1ccc(cc1)/N=N/c1ccc2c(c1)cccc2)C,1
-kazius_96-34-4,COC(=O)CCl,0
-kazius_814-78-8,CC(=O)C(=C)C,0
-kazius_93673-33-7,c1cc2cc3ccc4c(c3c3c2c(c1)[C@H]1O[C@@H]31)cccc4,1
-kazius_101-73-5,CC(Oc1ccc(cc1)Nc1ccccc1)C,0
-kazius_122-66-7,c1ccc(cc1)NNc1ccccc1,1
-kazius_25413-02-9,CCOC(=O)CNC(=O)[C@H](Br)C,1
-kazius_39147-43-8,Oc1ccc2c(c1)cc1c(c2)c2ccccc2c2c1cccc2,1
-kazius_137-18-8,CC1=CC(=O)C(=CC1=O)C,0
-kazius_120065-51-2,c1ccc(cc1)Cc1ccc(cc1)C[C@H]1CO1,1
-kazius_22506-53-2,[O-][N+](=O)c1ccc2-c3c4c(-c2c1)ccc(c4ccc3)[N+](=O)[O-],1
-kazius_21626-89-1,O=C1c2ccccc2CN2N1Cc1ccccc1C2=O,0
-kazius_95-54-5,Nc1ccccc1N,1
-kazius_2157-01-9,CCCCCCCCOC(=O)C(=C)C,0
-kazius_3096-64-8,ONc1cc(C)ccc1C,1
-kazius_105-48-6,ClCC(=O)OC(C)C,0
-kazius_25870-67-1,O=C(c1ccc(cc1)[N+](=O)[O-])/C=C/c1ccc(cc1)[N+](=O)[O-],1
-kazius_26266-68-2,CC/C=C/[C@H](C=O)CC,0
-kazius_17369-59-4,CC/C=C/1\OC(=O)c2c1cccc2,1
-kazius_842-07-9,Oc1ccc2c(c1/N=N/c1ccccc1)cccc2,1
-kazius_103748-25-0,Clc1ccc2c(c1)nc(n2C)N,1
-kazius_1892-54-2,Nc1ccc2c(c1)c1ccccc1cc2,1
-kazius_85-83-6,Cc1cc(ccc1/N=N/c1c(O)ccc2c1cccc2)/N=N/c1ccccc1C,1
-kazius_75-86-5,N#CC(O)(C)C,0
-kazius_94-74-6,OC(=O)COc1ccc(cc1C)Cl,0
-kazius_86247-86-1,O[C@@H](COc1cccc2c1OC[C@H](C2)O)CNC(C)C,0
-kazius_75586-70-8,Nc1ccc2c(c1)[n+](C)c1c(c2)cccc1.Cl,1
-kazius_645-45-4,ClC(=O)CCc1ccccc1,1
-kazius_5134-49-6,[O-][N+](=O)c1ccc(cc1)CNc1[nH]cnc2-c1ncn2,0
-kazius_93285-74-6,C1CCC2=C(C1)c1c3ccccc3cc3c1c2cc1c3cccc1,1
-kazius_108-24-7,CC(=O)OC(=O)C,0
-kazius_630-17-1,BrCC(C)(C)C,0
-kazius_2702-72-9,OC(=O)COc1ccc(cc1Cl)Cl.[Na+],0
-kazius_1229-55-6,COc1ccccc1/N=N/c1c(O)ccc2c1cccc2,1
-kazius_60719-84-8,O=c1[nH]cc(cc1N)c1ccncc1,0
-kazius_89-58-7,Cc1ccc(c(c1)[N+](=O)[O-])C,1
-kazius_25637-99-4,Br[C@@H]1CC[C@H](Br)[C@H](Br)CC[C@H]([C@H](CC[C@H]1Br)Br)Br,0
-kazius_128-37-0,Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C,0
-kazius_91-13-4,BrCc1ccccc1CBr,0
-kazius_107-44-8,CC(O[P@@](=O)(F)C)C,0
-kazius_6217-22-7,O=c1c2cccc3c2c2c(c1=O)cccc2cc3,0
-kazius_159092-85-0,[O-][N+](=O)c1ccc2c(c1)c1c(cc2[N+](=O)[O-])cccc1[N+](=O)[O-],1
-kazius_85431-61-4,OC[C@@H]1O[C@@H]1[C@@]12O[C@H]2[C@@]2(C(=CC1=O)CC[C@H]([C@H]2C)O)C,1
-kazius_4164-28-7,CN([N+](=O)[O-])C,1
-kazius_25103-58-6,CC(CC(C)(C)C)(CC(C)(C)C)S,0
-kazius_100-27-6,OCCc1ccc(cc1)[N+](=O)[O-],1
-kazius_24085-06-1,CC(=O)OCc1cc(ccc1OC(=O)C)C(=O)C,1
-kazius_96918-24-0,c1cc2ccc3c4c2c(c1)ccc4cc1c3cco1,1
-kazius_131-17-9,C=CCOC(=O)c1ccccc1C(=O)OCC=C,0
-kazius_1116-54-7,OCCN(N=O)CCO,1
-kazius_20846-00-8,CC(=[N+]([O-])[O-])C,1
-kazius_24225-71-6,CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)Nc1ccc2-c3c(Cc2c1)cccc3,1
-kazius_20589-85-9,Cl/C=C(\C(Cl)Cl)/Cl,1
-kazius_491-70-3,Oc1cc(O)c2c(c1)oc(cc2=O)c1ccc(c(c1)O)O,0
-kazius_30461-65-5,Oc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)C=CO3,1
-kazius_892-21-7,[O-][N+](=O)c1ccc2-c3c(-c4c2c1ccc4)cccc3,1
-kazius_68498-25-9,OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1ncn1c2ncc1,0
-kazius_99-65-0,[O-][N+](=O)c1cccc(c1)[N+](=O)[O-],1
-kazius_136112-71-5,Nc1ncnc2c1nc(n2c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],1
-kazius_64810-99-7,OS(=O)(=O)Oc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,1
-kazius_23256-30-6,C[C@H]1CS(=O)(=O)CCN1/N=C/c1ccc(o1)[N+](=O)[O-],1
-kazius_476-57-3,COc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1O)C,1
-kazius_185-72-8,O1CCC2(CC1)CO2,1
-kazius_69795-73-9,O[C@@H]1Cc2c3c1ccc1c3c3c(c2)cccc3cc1,1
-kazius_680-31-9,CN(P(=O)(N(C)C)N(C)C)C,0
-kazius_5417-50-5,CC(=O)Nc1cnc2c(c1)cccc2,0
-kazius_98-85-1,C[C@H](c1ccccc1)O,0
-kazius_2417-77-8,BrCc1c2ccccc2cc2c1cccc2,1
-kazius_3333-66-2,Cc1c(C)c2ccccc2c2c1c(Cl)c1ccccc1n2,1
-kazius_619-72-7,N#Cc1ccc(cc1)[N+](=O)[O-],0
-kazius_111-40-0,NCCNCCN,0
-kazius_930-55-2,O=NN1CCCC1,1
-kazius_613-35-4,CC(=O)Nc1ccc(cc1)c1ccc(cc1)NC(=O)C,1
-kazius_498-21-5,OC(=O)C[C@@H](C(=O)O)C,0
-kazius_2461-18-9,CCCCCCCCCCCCOC[C@@H]1OC1,0
-kazius_21466-07-9,Brc1cc(Br)c(c(c1)c1cc(Br)cc(c1O)Br)OP(=O)(O)O,0
-kazius_18024-11-8,Cc1ccc(c2c1n(C)c1c2cccc1)C,1
-kazius_161696-98-6,Cc1c(NC)ccc2c1nccn2,1
-kazius_138835-34-4,[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c([n+]1[O-])cccc2,1
-kazius_6358-07-2,[O-][N+](=O)c1cc(O)c(cc1Cl)N,1
-kazius_107-99-3,ClCCN(C)C,1
-kazius_100-63-0,NNc1ccccc1,1
-kazius_131-53-3,COc1ccc(c(c1)O)C(=O)c1ccccc1O,1
-kazius_91-68-9,CCN(c1cccc(c1)O)CC,1
-kazius_23043-60-9,Nc1cccc2c1c(N)c1c(n2)cccc1,1
-kazius_98-00-0,OCc1ccco1,0
-kazius_133331-34-7,CC(CCC[C@H]([C@@H]1CC[C@H]2[C@]1(C)CC[C@@H]1[C@H]2CC2([C@H]3[C@]1(C)CC[C@@H](C3)Br)S(=O)(=O)CCS2(=O)=O)C)C,1
-kazius_75-56-9,C[C@H]1CO1,1
-kazius_98046-74-3,[O-][N+](=O)c1cnc2c(c1C)nc1n2cccc1C,1
-kazius_557-48-2,CC/C=C/CC/C=C/C=O,0
-kazius_28289-54-5,CN1CCC(=CC1)c1ccccc1,0
-kazius_63041-76-9,Cc1ccc2c(c1)cc1c3c2ccc2c3c(cc1)ccc2,1
-kazius_61421-83-8,Oc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,1
-kazius_107-14-2,ClCC#N,0
-kazius_16664-45-2,Cc1cc(C)c2c(c1)c1ccccc1cc2,1
-kazius_98931-07-8,C=CCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C#N)C[C@@H](C1)C,1
-kazius_13177-29-2,[O-][N+](=O)c1cc2cccc3-c4c(-c(c1)c23)cccc4,1
-kazius_75590-19-1,[O-][N+](=O)c1ccc(cc1)[C@]1(C)OC1,1
-kazius_2923-68-4,OC(=O)C([C@](C([C@@](C([C@@](C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F)(Cl)F)(F)F,0
-kazius_5332-73-0,COCCCN,0
-kazius_102408-26-4,CNc1nc2c(n1C)ccc1c2cccn1,1
-kazius_5131-60-2,Nc1ccc(c(c1)N)Cl,1
-kazius_92-84-2,c1ccc2c(c1)Sc1c(N2)cccc1,0
-kazius_107027-12-3,CN(CCNC(=O)c1cccc2c1nc(cc2)c1ccccc1)C,1
-kazius_607-30-7,ONc1cccc2c1cccc2,1
-kazius_105360-93-8,Oc1cc2ccc3c4c2c(n1)ccc4ccc3,1
-kazius_117022-35-2,O[C@@H]1[C@H]2O[C@H]2c2c([C@H]1O)ccc1c2c(C)cc2c1cccc2C,1
-kazius_7177-48-2,N[C@H](c1ccccc1)C(=O)N[C@@H]1C(=O)N2[C@H]1SC([C@@H]2C(=O)O)(C)C.O.O.O,0
-kazius_26227-73-6,CCCCc1ccc(cc1)/N=C/c1ccc(cc1)OC,1
-kazius_594-70-7,CC([N+](=O)[O-])(C)C,0
-kazius_57333-96-7,O[C@H]1C[C@@H](O)C(=C)/C(=C\C=C\2/CCC[C@]3([C@H]2CC[C@@H]3[C@@H](CC[C@H](C(C)C)O)C)C)/C1,0
-kazius_97467-07-7,O[Cl](=O)(=O)=O.C[N+]1=CC=C(CC1)c1ccccc1,1
-kazius_66-75-1,ClCCN(c1cnc(nc1O)O)CCCl,1
-kazius_2444-36-2,OC(=O)Cc1ccccc1Cl,0
-kazius_6088-51-3,Oc1ccc2c(c1)ccc(c2)SSc1ccc2c(c1)ccc(c2)O,0
-kazius_326-61-4,CC(=O)OCc1ccc2c(c1)OCO2,0
-kazius_1066-33-7,OC(=O)O.N,0
-kazius_117760-95-9,Cl/C(=C(\C(=C(Cl)Cl)Cl)/Cl)/SSc1ccccc1[N+](=O)[O-],1
-kazius_121-92-6,OC(=O)c1cccc(c1)[N+](=O)[O-],1
-kazius_24777-14-8,COc1cc(ccc1O)c1nc(c([nH]1)c1ccccc1)c1ccccc1,1
-kazius_611-09-6,O=C1Nc2c(C1=O)cc(cc2)[N+](=O)[O-],1
-kazius_64099-26-9,COc1nsc2c1c(ccc2)[N+](=O)[O-],1
-kazius_112725-15-2,O=NN(CC(=O)COC(=O)C)C,1
-kazius_55-98-1,CS(=O)(=O)OCCCCOS(=O)(=O)C,1
-kazius_139953-97-2,CC/C=C/C=C/C=C/C=C/C=C/OC[C@H](O)C,1
-kazius_1467-79-4,CN(C#N)C,0
-kazius_6422-86-2,CCCC[C@H](COC(=O)c1ccc(cc1)C(=O)OC[C@@H](CCCC)CC)CC,0
-kazius_103554-58-1,CN(CCNC(=O)n1c2ccccc2c(=O)c2c1cccc2)C,1
-kazius_99-35-4,[O-][N+](=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],1
-kazius_108-30-5,O=C1CCC(=O)O1,0
-kazius_1571-08-0,COC(=O)c1ccc(cc1)C=O,0
-kazius_3160-37-0,CC(=O)/C=C/c1ccc2c(c1)OCO2,0
-kazius_540-51-2,OCCBr,1
-kazius_146795-27-9,COc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],1
-kazius_555-03-3,COc1cccc(c1)[N+](=O)[O-],0
-kazius_119-26-6,NNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],1
-kazius_2648-51-3,O=CC=C(Cl)Cl,1
-kazius_130796-74-6,OC[C@H]1O[C@H]([C@@H]([C@H]1O)O)n1cnc2c1ncnc2NC[C@@H](COc1cccc2c1cccc2)O,0
-kazius_491-59-8,Cc1cc2cc3cccc(c3c(c2c(c1)O)O)O,1
-kazius_519-73-3,c1ccc(cc1)C(c1ccccc1)c1ccccc1,0
-kazius_1484-12-4,Cn1c2ccccc2c2c1cccc2,1
-kazius_98-55-5,CC1=CC[C@H](CC1)C(O)(C)C,0
-kazius_3290-92-4,CCC(COC(=O)C(=C)C)(COC(=O)C(=C)C)COC(=O)C(=C)C,1
-kazius_60599-38-4,O=NN(CC(=O)C)CC(=O)C,1
-kazius_229-87-8,c1ccc2c(c1)cnc1c2cccc1,1
-kazius_81840-15-5,COc1ccc(cc1OC)C(=O)N1CCN(CC1)c1ccc2c(c1)CCC(=O)N2,0
-kazius_26196-04-3,CO[C@@H]1OC1(C)C,1
-kazius_78-87-5,ClC[C@H](Cl)C,1
-kazius_76-06-2,ClC([N+](=O)[O-])(Cl)Cl,1
-kazius_138580-44-6,O=C1C=CC(=O)c2c1nc(C)c1c2[nH]c2c1cccc2,1
-kazius_110-30-5,CCCCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCCCCCCCC,0
-kazius_100-33-4,NC(=N)c1ccc(cc1)OCCCCCOc1ccc(cc1)C(=N)N,0
-kazius_612-25-9,OCc1ccccc1[N+](=O)[O-],0
-kazius_1838-56-8,CC(=O)Nc1cc2Cc3c(-c2cc1O)cccc3,0
-kazius_1468-95-7,OCc1c2ccccc2cc2c1cccc2,1
-kazius_57471-01-9,O[C@H](CNC(C)(C)C)COc1ccc(cc1C(=O)C)NC(=O)NC(C)(C)C,0
-kazius_5326-87-4,BrCC(=O)Nc1ccccc1,0
-kazius_943-93-1,C1C/C=C/CC[C@H]2[C@H](CC/C=C/1)O2,0
-kazius_7696-12-0,O=C([C@H]1[C@@H](C1(C)C)C=C(C)C)OCN1C(=O)C2=C(C1=O)CCCC2,1
-kazius_75-26-3,CC(Br)C,1
-kazius_621-42-1,CC(=O)Nc1cccc(c1)O,0
-kazius_124-02-7,C=CCNCC=C,0
-kazius_146818-20-4,CCc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],1
-kazius_101328-75-0,CCCCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C)CC(=C1)C,1
-kazius_1126-76-7,C([C@@H]1OC1)Cc1ccccc1,1
-kazius_146177-61-9,Cc1cnc2c(n1)c(C)c(c1c2nc(n1C)N)C,1
-kazius_58-08-2,Cn1cnc2c1c(=O)n(C)c(=O)n2C,0
-kazius_2243-78-9,Nc1ccc(cc1)c1ccc(cc1[N+](=O)[O-])N,1
-kazius_6287-38-3,O=Cc1ccc(c(c1)Cl)Cl,0
-kazius_81486-22-8,O[C@@H](COc1cccc2c1OC[C@H](C2)O[N+](=O)[O-])CNC(C)C,0
-kazius_16568-02-8,C/C=N/N(C=O)C,0
-kazius_1204-72-4,[O-][N+](=O)c1cc2ccccc2cc1C,0
-kazius_142438-58-2,COC(=O)[C@@]12O[C@@]2(CC)[C@@H](OC1=O)C,1
-kazius_5307-14-2,Nc1ccc(c(c1)[N+](=O)[O-])N,1
-kazius_118-82-1,CC(c1cc(Cc2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)cc(c1O)C(C)(C)C)(C)C,0
-kazius_92-54-6,N1CCN(CC1)c1ccccc1,0
-kazius_1513-65-1,Fc1cccc(n1)F,0
-kazius_1874-22-2,O=C/C=C/c1ccc(o1)[N+](=O)[O-],1
-kazius_2876-23-5,Nc1ccc2c(c1)nc1c(n2)cccc1,1
-kazius_606-20-2,Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],1
-kazius_79748-81-5,OCC[C@]1(O)NC(=O)[C@]2([C@@H]1O2)C(=O)/C(=C/C=C/C(=C/C(=C/C(=C\C)/C(=O)OC)/C)/C)/C,1
-kazius_602-64-2,O=C1c2ccccc2C(=O)c2c1c(O)c(c(c2)O)O,1
-kazius_97461-42-2,[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NCCCCC,1
-kazius_96-29-7,C/C(=N\O)/CC,1
-kazius_7320-37-8,CCCCCCCCCCCCCC[C@@H]1OC1,0
-kazius_37574-47-3,c1ccc2c(c1)c1ccc3c4c1c(c2)[C@H]1O[C@H]1c4ccc3,1
-kazius_87185-24-8,[O-][N+](=O)c1ccc2c(c1)cc(c(c2)[N+](=O)[O-])[N+](=O)[O-],1
-kazius_3571-31-1,COc1cc2Cc3cc(C)cc(c3C(=O)c2c(c1)O)O,1
-kazius_75476-80-1,[O-][N+](=O)c1ccc2c(c1)CC=C2,1
-kazius_3697-24-3,Cc1cc2ccccc2c2c1c1ccccc1cc2,1
-kazius_75-62-7,ClC(Br)(Cl)Cl,1
-kazius_101043-65-6,O=Nc1ccc2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],1
-kazius_105427-02-9,O=C([C@@H]1OC1)NCc1ccccc1,1
-kazius_90-94-8,CN(c1ccc(cc1)C(=O)c1ccc(cc1)N(C)C)C,1
-kazius_120-82-1,Clc1ccc(c(c1)Cl)Cl,0
-kazius_110-85-0,N1CCNCC1,0
-kazius_15503-86-3,C/C=C\1/C[C@H](C)[C@](O)(CO)C(=O)OCC2=CC[N@@+]3([C@H]2[C@H](OC1=O)CC3)[O-].O.O,0
-kazius_99152-10-0,O=NN(C(=O)[C@H](C(C)C)NC(=O)C)CC(=O)O,1
-kazius_95-49-8,Cc1ccccc1Cl,0
-kazius_16354-52-2,CCc1c2ccc3c(c2c(c2c1cccc2)CC)cccc3,0
-kazius_867-27-6,CCSCCOP(=S)(OC)OC,0
-kazius_194-03-6,c1cc2ccc3c4c2c(c1)cnc4ccc3,1
-kazius_1888-89-7,C([C@@H]1OC1)C[C@@H]1OC1,1
-kazius_107-20-0,ClCC=O,1
-kazius_54-88-6,Cc1cc(ccc1/N=N/c1ccccc1)N(C)C,1
-kazius_1576-35-8,NNS(=O)(=O)c1ccc(cc1)C,1
-kazius_609-15-4,CCOC(=O)[C@@H](C(=O)C)Cl,0
-kazius_57817-89-7,OC[C@H]1O[C@@H](O[C@]23CCC4[C@@](C2)(CC3=C)CCC2[C@@]4(C)CCC[C@@]2(C)C(=O)O[C@@H]2O[C@@H](CO)C([C@H](C2O)O)O)[C@@H]([C@H](C1O)O)O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O,1
-kazius_98033-22-8,Oc1ccc2c(c1)c1c(cc2)ccc2c1CCN2C,1
-kazius_111901-45-2,O[C@@H]1[C@@H]2O[C@@H]2c2c([C@H]1O)ccc1c2cc(C)c2c1cccc2,0
-kazius_97389-17-8,Cc1cnc2c(n1)cc(c1c2nc(n1C)N)C,1
-kazius_484-08-2,COc1cc2c(cc1OC)nc1c(c2OC)cco1,1
-kazius_57-64-7,OC(=O)c1ccccc1O.CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN([C@@H]1N2C)C,0
-kazius_106-40-1,Nc1ccc(cc1)Br,0
-kazius_80984-66-3,N1[C@@H]2[C@H]1c1cccc3c1-c1c2cccc1[C@H]1[C@@H]3N1,1
-kazius_27108-42-5,CNC(=O)ON.Cl,1
-kazius_123-77-3,NC(=O)/N=N/C(=O)N,1
-kazius_294-93-9,O1CCOCCOCCOCC1,0
-kazius_207-08-9,c1ccc2c(c1)cc1-c3cccc4c3c(-c1c2)ccc4,1
-kazius_36167-69-8,ClCCNCCCNc1c2ccc(cc2nc2c1nc(OC)cc2)Cl.Cl.Cl.O,1
-kazius_92339-11-2,OC[C@H](CNC(=O)c1c(I)c(N(C(=O)C)C[C@H](CN(c2c(I)c(C(=O)NC[C@@H](CO)O)c(c(c2I)C(=O)NC[C@@H](CO)O)I)C(=O)C)O)c(c(c1I)C(=O)NC[C@@H](CO)O)I)O,0
-kazius_122587-22-8,COC(=O)c1oc(c(c1Cl)Cl)[N+](=O)[O-],1
-kazius_105-60-2,O=C1CCCCCN1,0
-kazius_879-39-0,Clc1cc([N+](=O)[O-])c(c(c1Cl)Cl)Cl,0
-kazius_21846-26-4,Cc1ccc2-c3c([C@H](c2c1)C)cccc3,1
-kazius_39638-73-8,OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cc(O)c(nc1=O)N,0
-kazius_122-97-4,OCCCc1ccccc1,0
-kazius_41840-28-2,O=C(OC(C)(C)C)Sc1nc(C)cc(n1)C,0
-kazius_32740-01-5,Cc1c2cccc(c2nc2c1ccc1c2cccc1)C,1
-kazius_140-10-3,OC(=O)/C=C/c1ccccc1,0
-kazius_32306-29-9,CCOP(=O)(Oc1noc(c1)c1ccccc1)OCC,0
-kazius_116355-83-0,CCC[C@H](C[C@@H]([C@@H](OC(=O)C[C@H](C(=O)O)CC(=O)O)C[C@@H](C[C@@H](CCCC[C@@H](C[C@@H]([C@@H](N)C)O)O)O)C)OC(=O)C[C@H](C(=O)O)CC(=O)O)C,0
-kazius_95-85-2,Clc1ccc(c(c1)N)O,1
-kazius_114460-41-2,CCc1[nH]c2c(n1)c1c(cc2)ccc2c1cc(O)cc2,1
-kazius_1330-20-7,Cc1ccccc1C.Cc1cccc(c1)C.Cc1ccc(cc1)C,0
-kazius_2523-37-7,CC1c2ccccc2-c2c1cccc2,1
-kazius_146795-33-7,CCc1ccccc1NC(=O)c1csc(c1)[N+](=O)[O-],1
-kazius_616-72-8,Cc1cc(C)c(cc1[N+](=O)[O-])[N+](=O)[O-],1
-kazius_119-32-4,Nc1ccc(c(c1)[N+](=O)[O-])C,1
-kazius_91642-47-6,[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OCCCCC,1
-kazius_921-14-2,CC(N(C(C)C)N)C,1
-kazius_64-19-7,CC(=O)O,0
-kazius_105052-39-9,COc1ccc2c3c1cccc3OC(=C2)[N+](=O)[O-],1
-kazius_140-29-4,N#CCc1ccccc1,0
-kazius_111574-85-7,O=C(N[C@H](C(=O)NCC(=O)O)CSC(=C(Cl)Cl)Cl)CC[C@@H](C(=O)O)N,1
-kazius_92-24-0,c1ccc2c(c1)cc1c(c2)cc2c(c1)cccc2,1
-kazius_118-52-5,ClN1C(=O)N(C(C1=O)(C)C)Cl,0
-kazius_1565-94-2,O[C@H](COC(=O)C(=C)C)COc1ccc(cc1)C(c1ccc(cc1)OC[C@@H](COC(=O)C(=C)C)O)(C)C,0
-kazius_78-93-3,CCC(=O)C,0
-kazius_608-71-9,Brc1c(O)c(Br)c(c(c1Br)Br)Br,0
-kazius_91-44-1,CCN(c1ccc2c(c1)oc(=O)cc2C)CC,0
-kazius_56-18-8,NCCCNCCCN,0
-kazius_121-32-4,CCOc1cc(C=O)ccc1O,0
-kazius_60-80-0,O=c1cc(n(n1c1ccccc1)C)C,0
-kazius_6923-22-4,CNC(=O)/C=C(/OP(=O)(OC)OC)\C,1
-kazius_154028-32-7,COc1cccc(c1)/C=C/c1ccc(cc1)N,1
-kazius_618-87-1,Nc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],1
-kazius_4460-86-0,COc1cc(C=O)c(cc1OC)OC,0
-kazius_94-20-2,CCCNC(=O)NS(=O)(=O)c1ccc(cc1)Cl,0
-kazius_50648-96-9,O=C(N[C@H](C(=O)O)C)COc1ccc(cc1Cl)Cl,0
-kazius_147151-67-5,ClCCN(c1cccc(c1)/C=C/C(=O)O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CCC(=O)N2)C)C1)C)CCCl,1
-kazius_68-11-1,OC(=O)CS,0
-kazius_42308-20-3,C[C@H](C(=O)Nc1ccccc1)Br,1
-kazius_157730-37-5,Cn1c(N)nc2c1cc1ncccc1n2,0
-kazius_85-48-3,OS(=O)(=O)c1cccc2c1nccc2,0
-kazius_631-64-1,BrC(C(=O)O)Br,1
-kazius_25799-70-6,COc1ccc(c2c1nc1ccccc1c2NCCCN(C)C)[N+](=O)[O-],1
-kazius_50285-71-7,CCN(C(=O)N(C)C)N=O,1
-kazius_5275-46-7,O=NC([N+](=O)[O-])(C)C,1
-kazius_28564-83-2,O[C@@H]1COC(=C(C1=O)O)C,1
-kazius_4081-23-6,O=[P@@]1(OCc2c(O1)cccc2)Oc1ccccc1,1
-kazius_142438-64-0,COC(=O)C1=C(CC)[C@@H](OC1=O)C,1
-kazius_36274-29-0,Cc1ncc2c(n1)CCC2,0
-kazius_63-75-2,COC(=O)C1=CCCN(C1)C,1
-kazius_17096-47-8,[O-][N+](=O)OCCN([N+](=O)[O-])C,1
-kazius_94500-44-4,ClCc1cc2c3ccccc3cc3c2c2c1cccc2cc3,1
-kazius_84-68-4,Nc1ccc(c(c1)Cl)c1ccc(cc1Cl)N,1
-kazius_108612-45-9,Fc1ccc(cc1)Cn1c(nc2c1cccc2)N1CCC(CC1)N(c1nccc(=O)[nH]1)C,0
-kazius_67604-48-2,Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O,0
-kazius_73870-33-4,O=NN1CSCC1,1
-kazius_147293-13-8,Nc1nc2c(n1C)ccc1c2nccc1,1
-kazius_579-07-7,O=C(c1ccccc1)C(=O)C,0
-kazius_146-39-4,C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](c1ccnc2c1cc(OC)cc2)O,0
-kazius_5589-96-8,OC(=O)[C@H](Br)Cl,1
-kazius_119584-53-1,O=C(Cn1c(=O)sc2c1cccc2)OCc1ccccc1,0
-kazius_77-47-4,ClC1=C(Cl)C(C(=C1Cl)Cl)(Cl)Cl,0
-kazius_70-11-1,BrCC(=O)c1ccccc1,0
-kazius_7467-29-0,Nc1cc(N)c(cc1/N=N/c1ccccc1C)C,1
-kazius_6344-66-7,Nc1ccc2c(-c3ccccc3C2)c1,1
-kazius_7230-71-9,Cc1ccc2c(c1)nc1c(c2)ccc2c1cccc2,1
-kazius_55557-02-3,COC(=O)C1=CCCN(C1)N=O,1
-kazius_554-84-7,Oc1cccc(c1)[N+](=O)[O-],1
-kazius_301-12-2,CC[S@@](=O)CCSP(=O)(OC)OC,1
-kazius_111-71-7,CCCCCCC=O,0
-kazius_93673-34-8,c1cc2[C@@H]3O[C@@H]3c3c2c(c1)c1cc2ccccc2cc1c3,1
-kazius_393-52-2,ClC(=O)c1ccccc1F,1
-kazius_132-64-9,c1ccc2c(c1)oc1c2cccc1,0
-kazius_36355-01-8,Brc1cc(Br)cc(c1c1c(Br)cc(cc1Br)Br)Br,0
-kazius_130005-62-8,Oc1ccc2c(c1)c1c(C)c(N)cc(c1[nH]2)C,1
-kazius_3697-30-1,CCc1c2ccc3c(c2cc2c1cccc2)cccc3,1
-kazius_14918-69-5,O=C1C(=C(Cl)C(=O)c2c1c(O)ccc2O)Cl,1
-kazius_620-02-0,Cc1ccc(o1)C=O,0
-kazius_286-62-4,C1CCC[C@H]2[C@@H](CC1)O2,0
-kazius_110-91-8,C1CNCCO1,0
-kazius_53499-68-6,CNc1ccc(cc1)/N=N/c1ccc(cc1)N(C(=O)C)C,1
-kazius_491-35-0,Cc1ccnc2c1cccc2,1
-kazius_121-87-9,[O-][N+](=O)c1ccc(c(c1)Cl)N,1
-kazius_89-40-7,O=C1NC(=O)c2c1cc(cc2)[N+](=O)[O-],1
-kazius_59-49-4,O=c1oc2c([nH]1)cccc2,0
-kazius_85-84-7,Nc1ccc2c(c1/N=N/c1ccccc1)cccc2,0
-kazius_75-87-6,O=CC(Cl)(Cl)Cl,1
-kazius_94-75-7,OC(=O)COc1ccc(cc1Cl)Cl,0
-kazius_103-70-8,O=CNc1ccccc1,0
-kazius_640-15-3,CCSCCSP(=S)(OC)OC,0
-kazius_30560-19-1,CO[P@](=O)(NC(=O)C)SC,0
-kazius_78-63-7,CC(OOC(C)(C)C)(CCC(OOC(C)(C)C)(C)C)C,0
-kazius_24279-91-2,CO[C@@H](C1=C(N2CC2)C(=O)C(=C(C1=O)N1CC1)C)COC(=O)N,1
-kazius_89-59-8,Clc1ccc(c(c1)[N+](=O)[O-])C,0
-kazius_25917-89-9,Nc1cc([N+](=O)[O-])c(cc1C)N,1
-kazius_77-83-8,CCOC(=O)[C@@H]1O[C@]1(C)c1ccccc1,0
-kazius_106-65-0,COC(=O)CCC(=O)OC,0
-kazius_7597-18-4,[O-][N+](=O)c1ccc2c(c1)[nH]nc2,1
-kazius_90-34-6,NCCC[C@H](Nc1cc(OC)cc2c1nccc2)C,1
-kazius_156-43-4,CCOc1ccc(cc1)N,1
-kazius_104010-37-9,CO/N=C(/c1csc(n1)N)\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSC(=O)c1ccco1.[Na+],0
-kazius_78448-07-4,Oc1ccc2c(c1)ccc1c2c2c([nH]1)ccc1c2cccc1,1
-kazius_2435-76-9,[N-]=[N+]=C1C=NC(=O)NC1=O,1
-kazius_2385-85-5,Cl[C@]12C(Cl)(Cl)[C@@]3([C@@]4([C@]1(Cl)[C@@]1([C@@]2(Cl)[C@@]3([C@]4(C1(Cl)Cl)Cl)Cl)Cl)Cl)Cl,0
-kazius_2425-79-8,C(COC[C@@H]1OC1)CCOC[C@@H]1OC1,1
-kazius_156243-44-6,CNc1ccc2c(c1C)nc(cn2)C,1
-kazius_481-74-3,Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)ccc1,1
-kazius_55792-21-7,CCCCCCCOc1ccccc1NC(=O)OCCN1CCCCC1.Cl,0
-kazius_490-91-5,CC(C1=CC(=O)C(=CC1=O)C)C,0
-kazius_16452-01-0,COc1cc(N)ccc1C,1
-kazius_271-89-6,c1ccc2c(c1)occ2,0
-kazius_3102-70-3,Cc1cc(C)c(c(c1N)C)N,1
-kazius_4637-56-3,ONc1cc[n+](c2c1cccc2)[O-],1
-kazius_98-86-2,CC(=O)c1ccccc1,0
-kazius_3343-64-4,CCCCSCC[C@@H](C(=O)O)N,0
-kazius_619-73-8,OCc1ccc(cc1)[N+](=O)[O-],0
-kazius_52-68-6,COP(=O)([C@@H](C(Cl)(Cl)Cl)O)OC,1
-kazius_111-41-1,NCCNCCO,1
-kazius_58632-95-4,N#C/C(=N\OC(=O)OC(C)(C)C)/c1ccccc1,0
-kazius_24903-46-6,c1ccc2c(c1)c1cc3c(cc1cc2)ccc1c3cncc1,1
-kazius_2210-28-8,CCCOC(=O)C(=C)C,0
-kazius_7151-65-7,CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)Cl,1
-kazius_789-07-1,[O-][N+](=O)c1cc2ccc3c4c2c(c1)ccc4ccc3,1
-kazius_161696-99-7,CNc1ccc2c(c1C)ncc(n2)C,1
-kazius_1147-55-3,CC(=O)Nc1ccc2-c3c(Cc2c1)cccc3O,1
-kazius_2466-76-4,CC(=O)n1cncc1,0
-kazius_138835-35-5,[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)nc2c1cccc2,1
-kazius_59-00-7,OC(=O)c1cc(O)c2c(n1)c(O)ccc2,0
-kazius_557-30-2,O/N=C/C=N/O,0
-kazius_110-61-2,N#CCCC#N,0
-kazius_100-64-1,ON=C1CCCCC1,1
-kazius_75888-03-8,[O-][N+](=O)c1ccc(o1)/C=N/N1CCCNC1=O,1
-kazius_2429-71-2,COc1cc(ccc1/N=N/c1cc(c2c(c1O)cccc2)S(=O)(=O)O)c1ccc(c(c1)OC)/N=N/c1cc(c2c(c1O)cccc2)S(=O)(=O)O,0
-kazius_127072-58-6,CC/C=C/C=C/C=C/C=C/C=C/C=C/OC[C@@H](CO)O,1
-kazius_121-57-3,Nc1ccc(cc1)S(=O)(=O)O,0
-kazius_16400-63-8,ClCC(=C)Br,1
-kazius_42471-28-3,ClCCN(C(=O)NCc1cnc(nc1N)C)N=O,1
-kazius_372-48-5,Fc1ccccn1,1
-kazius_3671-71-4,ON(C(=O)c1ccccc1)c1ccc2-c3c(Cc2c1)cccc3,1
-kazius_98-01-1,O=Cc1ccco1,1
-kazius_5836-29-3,O=c1oc2cccc(c2cc1[C@@H]1CCc2c(C1)cccc2)O,0
-kazius_98046-75-4,[O-][N+](=O)c1cnc2c(c1)nc1n2cccc1,1
-kazius_63041-77-0,Cc1cccc2c1cc1ccc3c4c1c2ccc4ccc3,1
-kazius_85977-49-7,ClCCN(C(=O)NCCS(=O)(=O)N(C)C)N=O,1
-kazius_11012-59-2,OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)/C(=C/C=C/C(=C/C=C/C=C(\C=C\C=C(/C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H]([C@@H]([C@H]4O)O)O)[C@H]([C@@H]([C@H]3O)O)O)\C)/C)/C)/C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O,0
-kazius_19387-91-8,CCS(=O)(=O)CCn1c(C)ncc1[N+](=O)[O-],1
-kazius_142438-70-8,O=C([C@@H]1OC1(C(=O)N)C(=O)N)c1ccccc1,1
-kazius_26093-31-2,Nc1ccc2c(c1)oc(=O)cc2C,0
-kazius_2784-86-3,CC(=O)Nc1ccc2-c3c(Cc2c1O)cccc3,0
-kazius_2221-41-2,COc1c2cc(OC)ccc2nc2c1cco2,1
-kazius_612-82-8,Nc1ccc(cc1C)c1ccc(c(c1)C)N,1
-kazius_102-60-3,C[C@H](CN(C[C@H](O)C)CCN(C[C@H](O)C)C[C@H](O)C)O,0
-kazius_63980-20-1,CCN/N=N/CC,1
-kazius_51-03-6,CCCCOCCOCCOCc1cc2OCOc2cc1CCC,0
-kazius_117-12-4,Oc1cccc2c1C(=O)c1cccc(c1C2=O)O,1
-kazius_19315-64-1,CCOc1ccc(cc1)N(C(=O)C)O,1
-kazius_6471-49-4,COc1ccc(cc1/N=N/c1c(O)c(cc2c1cccc2)C(=O)Nc1cccc(c1)[N+](=O)[O-])[N+](=O)[O-],1
-kazius_625-48-9,[O-][N+](=O)CCO,1
-kazius_128-08-5,BrN1C(=O)CCC1=O,1
-kazius_6309-46-2,OCc1ccc(cc1)OC(=O)C,0
-kazius_67-56-1,CO,0
-kazius_149573-80-8,ONC(=O)Cc1cn(cn1)N=O,1
-kazius_73018-98-1,[N-]=[N+]=NC[C@@H](CO)O,1
-kazius_874-60-2,ClC(=O)c1ccc(cc1)C,1
-kazius_101-80-4,Nc1ccc(cc1)Oc1ccc(cc1)N,1
-kazius_6967-29-9,ClCC(=O)Nc1c(CC)cccc1CC,1
-kazius_90-04-0,COc1ccccc1N,1
-kazius_288-47-1,c1nccs1,1
-kazius_594-71-8,CC([N+](=O)[O-])(Cl)C,1
-kazius_55-80-1,Cc1cccc(c1)/N=N/c1ccc(cc1)N(C)C,1
-kazius_34237-98-4,Nc1ccc(cc1Br)c1ccc(c(c1)Br)N,1
-kazius_111-96-6,COCCOCCOC,0
-kazius_600-14-6,CCC(=O)C(=O)C,0
-kazius_64099-27-0,COc1nsc2c1cccc2N,1
-kazius_31272-21-6,Fc1ccccc1C(=O)c1c(C)nn(c1N)C,1
-kazius_68395-77-7,ONc1cc(C)cc(c1)C,1
-kazius_1562-94-3,COc1ccc(cc1)/N=[N+](/c1ccc(cc1)OC)\[O-],1
-kazius_605-71-0,[O-][N+](=O)c1cccc2c1cccc2[N+](=O)[O-],1
-kazius_14618-80-5,O(Cc1ccccc1)C[C@H]1OC1,1
-kazius_14160-38-4,O=C1C=C(C(=O)C(=C1)C1=CC(=O)C=C(C1=O)C(C)(C)C)C(C)(C)C,1
-kazius_4399-80-8,ON1C(C)(C)C[C@@H](C1(C)C)C(=O)N,0
-kazius_139953-98-3,CC/C=C/C=C/C=C/C=C/C=C/OC[C@H](c1ccccc1)O,1
-kazius_94-81-5,OC(=O)CCCOc1ccc(cc1C)Cl,0
-kazius_70786-65-1,CC(=O)N(c1ccccc1C)O,1
-kazius_146795-28-0,COc1ccccc1NC(=O)c1csc(c1)[N+](=O)[O-],1
-kazius_108-31-6,O=C1C=CC(=O)O1,0
-kazius_113826-06-5,Cc1ccc(cc1)S(=O)(=O)OC[C@@H]1OC1,1
-kazius_104-75-6,CCCC[C@H](CN)CC,0
-kazius_119-27-7,COc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],1
-kazius_68302-57-8,CC(c1ccc2c(c1)c(=O)c1c(o2)nc(c(c1)C(=O)O)N)C,0
-kazius_23031-38-1,C#CCc1ccc(o1)COC(=O)[C@H]1[C@@H](C1(C)C)C=C(C)C,1
-kazius_77439-76-0,ClC(C1=C(Cl)C(=O)O[C@H]1O)Cl,1
-kazius_98-56-6,FC(c1ccc(cc1)Cl)(F)F,0
-kazius_144-82-1,Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)C,0
-kazius_38914-96-4,ClCCNCCCNc1c2ccccc2nc2c1cccc2.Cl.Cl.O,1
-kazius_2080-32-2,CCN(S(=O)(=O)c1ccc(cc1)NC(=O)C)CC,0
-kazius_533-31-3,Oc1ccc2c(c1)OCO2,0
-kazius_203-64-5,c1cc2Cc3c4c2c(c1)ccc4ccc3,1
-kazius_765-34-4,C1O[C@H]1C=O,1
-kazius_10143-23-4,CC[C@H]([C@@H](CO)C)C,0
-kazius_101-14-4,Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,1
-kazius_1918-13-4,NC(=S)c1c(Cl)cccc1Cl,1
-kazius_3237-50-1,O=C1NC(=O)NC(=O)C1(O)O,0
-kazius_584-08-7,OC(=O)O.[K+].[K+],0
-kazius_3101-60-8,CC(c1ccc(cc1)OC[C@@H]1OC1)(C)C,1
-kazius_75965-74-1,COc1ccc2c(c1)ccc1c2cc(o1)[N+](=O)[O-],1
-kazius_78-88-6,ClCC(=C)Cl,1
-kazius_5598-53-8,OC(=O)C[C@@H](C(=O)O)N.[Na+].[Na+],0
-kazius_4655-34-9,CC(OC(=O)C(=C)C)C,0
-kazius_58957-92-9,O[C@@H]1[C@@H](N)C[C@@H](O[C@H]1C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2)C(=O)C,1
-kazius_10353-53-4,C=CCC[C@H]1CO1,1
-kazius_78533-30-9,BrCc1c2ccccc2cc2c1c1ccccc1cc2,1
-kazius_132929-89-6,[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1CCC=C2,1
-kazius_25074-67-3,Clc1ccc2c(c1)oc1c2cccc1,1
-kazius_4238-71-5,c1ccc(cc1)Cn1cncc1,1
-kazius_7786-61-0,COc1cc(C=C)ccc1O,0
-kazius_100924-64-9,OS(=O)(=O)OCc1cc2ccccc2c2c1c1ccccc1cc2,1
-kazius_2425-85-6,Cc1ccc(c(c1)[N+](=O)[O-])/N=N/c1c(O)ccc2c1cccc2,1
-kazius_1120-21-4,CCCCCCCCCCC,0
-kazius_50-78-2,CC(=O)Oc1ccccc1C(=O)O,0
-kazius_86439-49-8,[O-][N+](=O)c1cc2c(cc1N)[nH]c1c2cccc1,1
-kazius_17528-53-9,ClCCN(c1ccc(cc1)OCC(=O)O)CCCl,1
-kazius_88492-34-6,[N-]=[N+]=NC[C@H](Cn1cnc2c1ncnc2N)O,1
-kazius_146177-62-0,Cc1nc2c(nc1C)c(C)c(c1c2nc(n1C)N)C,1
-kazius_3340-94-1,Cc1c2ccc3c(c2nc2c1cccc2)cccc3,1
-kazius_7756-96-9,CCCCOC(=O)c1ccccc1N,0
-kazius_73936-27-3,Fc1ccc(cc1)C(=O)[C@H]1O[C@@H]1c1ccccc1,1
-kazius_610-66-2,N#CCc1ccccc1[N+](=O)[O-],1
-kazius_66291-31-4,Cc1ccc2c(c1C)c1ccccc1cc2,0
-kazius_98-92-0,NC(=O)c1cccnc1,0
-kazius_142438-59-3,COC(=O)[C@@]12O[C@@]2(C)[C@@H](OC1=O)C(C)C,1
-kazius_6931-54-0,CC1(C)[C@H]2CC[C@]3([C@@H]1C2)CO3,0
-kazius_108-86-1,Brc1ccccc1,0
-kazius_3586-69-4,[O-][N+](=O)c1ccc2c(c1)cc1c(c2)cccc1,1
-kazius_6325-54-8,ClCc1c2ccc3c(c2cc2c1cccc2)cccc3,1
-kazius_96-11-7,BrCC(CBr)Br,1
-kazius_1199-18-4,NCCc1cc(O)c(cc1O)O,1
-kazius_6530-27-4,ONc1ccc(cc1)/N=N/c1ccccc1,1
-kazius_129-79-3,O=C1c2cc(ccc2-c2c1cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],1
-kazius_92-55-7,CC(=O)OC(c1ccc(o1)[N+](=O)[O-])OC(=O)C,1
-kazius_544-63-8,CCCCCCCCCCCCCC(=O)O,0
-kazius_1728-32-1,COC1=CC=CC=CC1,1
-kazius_26148-68-5,Nc1ccc2c(n1)[nH]c1c2cccc1,1
-kazius_2945-03-1,BrCC(=O)NCc1ccccc1,1
-kazius_1874-23-3,[O-][N+](=O)c1ccc(o1)C(=O)OC,1
-kazius_1187-42-4,N#C/C(=C(/C#N)\N)/N,0
-kazius_612-62-4,Clc1ccc2c(n1)cccc2,0
-kazius_56-49-5,Cc1ccc2c3c1CCc3c1c(c2)c2ccccc2cc1,1
-kazius_97461-43-3,[O-][N+](=O)c1ccc(o1)/C=C(/C(=O)OC)\C,1
-kazius_60-09-3,Nc1ccc(cc1)/N=N/c1ccccc1,1
-kazius_6428-94-0,Oc1ccc(c(c1)O)/N=N/c1ccc(cc1)[N+](=O)[O-],0
-kazius_161697-00-3,CNc1ccc2c(c1C)nc(c(n2)C)C,1
-kazius_2304-83-8,O=C1C=Cc2c(C1=O)ccc1c2ccc2c1cccc2,0
-kazius_4659-45-4,ClC(=O)c1c(Cl)cccc1Cl,1
-kazius_105427-03-0,O=C([C@@H]1OC1)Nc1ccccc1,1
-kazius_134308-13-7,Cc1ccc(cc1)C(=O)c1cc(O)c(c(c1)[N+](=O)[O-])O,0
-kazius_97747-88-1,OC/C=C\[C@]1(O)CC[C@@H]2[C@]1(C)C[C@@H](c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@H]21,0
-kazius_85-60-9,CCCC(c1cc(c(cc1C)O)C(C)(C)C)c1cc(c(cc1C)O)C(C)(C)C,0
-kazius_108-01-0,OCCN(C)C,0
-kazius_22994-85-0,O=C(Cn1ccnc1[N+](=O)[O-])NCc1ccccc1,1
-kazius_71382-54-2,c1ccc2-c3c([C@H]4[C@@H](c2c1)N4)ccc1c3cccc1,1
-kazius_120-83-2,Clc1ccc(c(c1)Cl)O,0
-kazius_86-59-9,OC(=O)c1cccc2c1nccc2,0
-kazius_110-86-1,c1cccnc1,0
-kazius_23102-68-3,O1[C@@H]2[C@H]1c1cscc1-c1c2csc1,1
-kazius_873-69-8,O/N=C/c1ccccn1,0
-kazius_58071-32-2,OC[C@@H]1O[C@@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCNCCCNC(=N)C[C@@H]2CC[C@H](CC2)Cl)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O,1
-kazius_2122-77-2,OCCOc1cc(Cl)c(cc1Cl)Cl,0
-kazius_74-83-9,CBr,1
-kazius_107-21-1,OCCO,0
-kazius_151109-62-5,O[C@H]1C=Cc2c([C@@H]1O)ccc1c2c(cc2c1CCC2=O)C(F)(F)F,1
-kazius_98033-23-9,CNc1ccc2c(c1)c1cc(O)ccc1cc2,1
-kazius_96910-70-2,OCC1=C[C@@H]2CC(C[C@H]2[C@]2([C@]1(C=O)C2)C)(C)C,1
-kazius_125973-99-1,ClCC1=CC(=O)OC1,1
-kazius_3689-24-5,CCOP(=S)(OP(=S)(OCC)OCC)OCC,1
-kazius_80984-67-4,c1ccc2c(-c3cc4[C@@H]5N[C@@H]5c5c(-c4cc3[C@@H]3[C@H]2N3)cccc5)c1,1
-kazius_885-62-1,[O-][N+](=O)c1cc(ccc1S(=O)(=O)O)[N+](=O)[O-],0
-kazius_2422-79-9,Cc1c2ccccc2cc2c1c1ccccc1cc2,1
-kazius_117333-21-8,O=Nn1cc(c2c1cccc2)C[C@@H](C(=O)O)O,1
-kazius_51-28-5,[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])O,0
-kazius_443-48-1,OCCn1c(C)ncc1[N+](=O)[O-],1
-kazius_13366-73-9,Cl[C@@H]1[C@]2(Cl)C3C4C5[C@@]1(Cl)C([C@]2(Cl)C5C3C1C4O1)(Cl)Cl,1
-kazius_585-79-5,Brc1cccc(c1)[N+](=O)[O-],1
-kazius_31551-45-8,O=C1c2cc(ccc2-c2c1cc(cc2)[N+](=O)[O-])[N+](=O)[O-],1
-kazius_15444-20-9,COc1c(OC)cc2c3c1-c1ccccc1C(=O)c3ncc2,1
-kazius_3817-11-6,CCCCN(CCCCO)N=O,1
-kazius_2431-96-1,CCN(C(=O)Cc1ccccc1)CC,0
-kazius_77-78-1,COS(=O)(=O)OC,1
-kazius_86334-95-4,O=NN(C[C@]1(O)OC[C@H]([C@H]([C@H]1O)O)O)CC(=O)O,0
-kazius_4685-14-7,C[n+]1ccc(cc1)c1cc[n+](cc1)C,0
-kazius_7241-98-7,COc1cc2O[C@H]3[C@H](c2c2c1c1CCOC(=O)c1c(=O)o2)CCO3,0
-kazius_26761-40-0,CC(CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC(C)C)C,0
-kazius_99400-75-6,O=c1cn[nH]c(=O)[nH]1.CCCCCCCC/C=C\CCCCCCCCN,1
-kazius_17177-50-3,O[C@@H]([C@H]1CO1)CO,1
-kazius_140-11-4,CC(=O)OCc1ccccc1,0
-kazius_34244-14-9,Clc1ccc2c3c1ccc1c3c(cc2)ccc1,1
-kazius_1953-54-4,Oc1ccc2c(c1)cc[nH]2,0
-kazius_111990-50-2,c1ccc2c(c1)c(CC[C@H]1CO1)ccc2,1
-kazius_71712-70-4,Clc1cc2Oc3cc([N+](=O)[O-])c(cc3Oc2cc1Cl)Cl,1
-kazius_116355-84-1,CCC[C@H](C[C@H]([C@H](OC(=O)C[C@H](C(=O)O)CC(=O)O)C[C@@H](CCCCCC[C@@H](C[C@@H]([C@H](N)C)O)O)C)OC(=O)C[C@H](C(=O)O)CC(=O)O)C,0
-kazius_52645-53-1,ClC(=C[C@H]1[C@@H](C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)Cl,1
-kazius_557-91-5,CC(Br)Br,0
-kazius_94739-29-4,COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1Cl)Cl)C(=O)OC(C)C)COC(=O)N,0
-kazius_146795-34-8,O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1,1
-kazius_63019-40-9,Oc1cccc2c1c1ccc3c(c1cc2)cccc3,1
-kazius_93-05-0,CCN(c1ccc(cc1)N)CC,1
-kazius_115-77-5,OCC(CO)(CO)CO,0
-kazius_156243-39-9,Cc1cnc2c(n1)c(C)c1c(c2)nc(n1C)N,1
-kazius_15121-84-3,OCCc1ccccc1[N+](=O)[O-],1
-kazius_892-17-1,O=C1CCc2c1cc(C)c1c2ccc2c1cccc2,1
-kazius_591-35-5,Oc1cc(Cl)cc(c1)Cl,0
-kazius_7745-89-3,Nc1ccc(c(c1)Cl)C.Cl,0
-kazius_3179-47-3,CCCCCCCCCCOC(=O)C(=C)C,0
-kazius_5002-47-1,CCCCCCCCCC(=O)OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F,0
-kazius_32861-85-1,COc1cc(Oc2ccc(cc2Cl)Cl)cc(c1)[N+](=O)[O-],0
-kazius_101-20-2,O=C(Nc1ccc(c(c1)Cl)Cl)Nc1ccc(cc1)Cl,0
-kazius_65945-06-4,Oc1ccc2c(c1)ccc1c2ccc2c1cccc2,1
-kazius_613-12-7,Cc1ccc2c(c1)cc1c(c2)cccc1,1
-kazius_15972-60-8,COCN(c1c(CC)cccc1CC)C(=O)CCl,1
-kazius_194-59-2,c1ccc2c(c1)ccc1c2c2c([nH]1)ccc1c2cccc1,1
-kazius_78-94-4,CC(=O)C=C,1
-kazius_1820-59-3,[O-][N+](=O)c1cc(ccc1c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],1
-kazius_100-40-3,C=C[C@H]1CCC=CC1,0
-kazius_153-98-0,NCCc1c[nH]c2c1cc(O)cc2,0
-kazius_548-08-3,CN1CCc2c3[C@H]1Cc1ccccc1-c3c1c(c2)OCO1,1
-kazius_2381-39-7,Cc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,1
-kazius_121-33-5,COc1cc(C=O)ccc1O,0
-kazius_26446-35-5,CC(=O)OC[C@@H](CO)O,1
-kazius_22248-79-9,Cl/C=C(/c1cc(Cl)c(cc1Cl)Cl)\OP(=O)(OC)OC,0
-kazius_101-39-3,O=C/C(=C/c1ccccc1)/C,0
-kazius_483-65-8,CC(c1ccc2c(c1)ccc1c2cccc1C)C,0
-kazius_6099-90-7,Oc1cc(O)cc(c1)O.O.O,0
-kazius_2846-29-9,OO[C@@H]1C=C2C[C@@H](O)CC[C@@]2([C@@H]2[C@@H]1[C@@H]1CC[C@H]([C@@]1(C)CC2)[C@@H](CCCC(C)C)C)C,1
-kazius_843-55-0,Oc1ccc(cc1)C1(CCCCC1)c1ccc(cc1)O,0
-kazius_90-65-3,CO/C(=C\C(=O)O)/C(=O)C(=C)C,0
-kazius_513-88-2,ClC(C(=O)C)Cl,1
-kazius_92072-10-1,[O-][N+](=O)c1ccc2c3c1cccc3c1c3c2c(ccc3ccc1)[N+](=O)[O-],1
-kazius_64314-52-9,OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@H]([C@@H](O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2,1
-kazius_4074-88-8,C=CC(=O)OCCOCCOC(=O)C=C,0
-kazius_13048-33-4,C=CC(=O)OCCCCCCOC(=O)C=C,0
-kazius_191-24-2,c1cc2ccc3c4c2c(c1)c1cccc2c1c4c(cc3)cc2,1
-kazius_141-46-8,OCC=O,0
-kazius_6623-66-1,O=c1oc2ccc(cc2c2c1cccc2)[N+](=O)[O-],1
-kazius_68-12-2,O=CN(C)C,0
-kazius_101489-25-2,COc1ccc(c2c1oc1c3c(O[C@H]4[C@H]3CCO4)cc(c1c2=O)OC)O,0
-kazius_6312-87-4,CC(=O)Nc1ccc(cc1)Oc1ccccc1,1
-kazius_87625-62-5,OC[C@H]1O[C@@H](O[C@]23C[C@H](C(=O)[C@H]3[C@](C3(C(=C2)C)CC3)(C)O)C)[C@H]([C@H]([C@@H]1O)O)O,1
-kazius_7144-65-2,c1ccc(cc1)c1ccccc1OC[C@H]1CO1,1
-kazius_77109-49-0,BrCCSC[C@@H](C(=O)OC)NC(=O)C,1
-kazius_78400-41-6,Cc1ccc2c3c1CCc3c1c(-c3ccccc3[C@H]3[C@@H]1N3)c2,1
-kazius_926-06-7,CC(OS(=O)(=O)C)C,1
-kazius_28553-12-0,CC(CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C)C,0
-kazius_17455-13-9,O1CCOCCOCCOCCOCCOCC1,0
-kazius_99-97-8,Cc1ccc(cc1)N(C)C,1
-kazius_5579-05-5,CNC(=O)Oc1ccc(cc1)c1ccccc1,1
-kazius_60032-80-6,C1CCc2c(C1)c1-c3ccccc3-c3c1c(c2)c1ccccc1c3,1
-kazius_4176-53-8,Nc1cccc2c1ccc1c2cccc1,1
-kazius_61477-94-9,C[C@@H]1CCC[C@@H](N1CCC[C@](c1ccccn1)(c1ccccc1)O)C.Cl,0
-kazius_84-69-5,CC(COC(=O)c1ccccc1C(=O)OCC(C)C)C,0
-kazius_5412-25-9,BrC[C@H](CO[P@@](=O)(OC[C@@H](CBr)Br)O)Br,1
-kazius_620-88-2,[O-][N+](=O)c1ccc(cc1)Oc1ccccc1,1
-kazius_133591-38-5,[O-][N+](=O)c1ccc2c(c1)c1c(C)ccc(c1[nH]2)C,1
-kazius_39179-91-4,ClCCNc1ccc(cc1)C,1
-kazius_6610-08-8,O=Nc1ccc2c(c1)cccc2,1
-kazius_112-52-7,CCCCCCCCCCCCCl,0
-kazius_147293-14-9,Nc1nc2c(n1C)ccc1c2cncc1,1
-kazius_56-55-3,c1ccc2c(c1)cc1c(c2)ccc2c1cccc2,1
-kazius_13114-72-2,CNC(=O)N(c1ccccc1)c1ccccc1,0
-kazius_50-18-0,ClCCN([P@]1(=O)NCCCO1)CCCl,1
-kazius_142-62-1,CCCCCC(=O)O,0
-kazius_20562-02-1,OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@@H]4[C@@H]3[C@H](C)[C@@H]3N4C[C@H](CC3)C)C)C2)C)[C@H]([C@H]([C@H]1O)O[C@@H]1O[C@@H](CO)[C@H]([C@H]([C@H]1O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O,0
-kazius_301-13-3,CCCC[C@H](COP(OC[C@@H](CCCC)CC)OC[C@@H](CCCC)CC)CC,0
-kazius_28149-15-7,[O-][N+](=O)c1ccc2-c3c([C@H](c2c1)O)cccc3,1
-kazius_76919-33-0,n1sc2c(c1)cc(cc2)OC[C@H]1CO1,1
-kazius_59-31-4,Oc1ccc2c(n1)cccc2,0
-kazius_106671-90-3,O=Nc1c(nc2n1ccs2)c1ccc(cc1)[N+](=O)[O-],1
-kazius_129-00-0,c1cc2ccc3c4c2c(c1)ccc4ccc3,1
-kazius_6000-43-7,NCC(=O)O.Cl,0
-kazius_6098-44-8,CC(=O)ON(c1ccc2-c3c(Cc2c1)cccc3)C(=O)C,1
-kazius_121-88-0,[O-][N+](=O)c1ccc(c(c1)O)N,1
-kazius_15950-66-0,Oc1ccc(c(c1Cl)Cl)Cl,0
-kazius_873-75-6,OCc1ccc(cc1)Br,0
-kazius_109-06-8,Cc1ccccn1,0
-kazius_13379-35-6,COc1cc(O)c2c(c1)oc1c(c2=O)cc(cc1)OC,1
-kazius_481-39-0,O=C1C=CC(=O)c2c1c(O)ccc2,1
-kazius_1447-88-7,COc1c(O)cc2c(c1O)c(=O)cc(o2)c1ccc(cc1)O,0
-kazius_2589-39-1,Oc1c(C)cc(c2c1C(=O)c1ccccc1C2=O)O,1
-kazius_79-44-7,CN(C(=O)Cl)C,1
-kazius_3544-23-8,COc1cc(/N=N/c2ccccc2)ccc1N,1
-kazius_6452-73-9,C=CCOc1ccccc1OC[C@@H](CNC(C)C)O,0
-kazius_500-66-3,CCCCCc1cc(O)cc(c1)O,0
-kazius_36840-85-4,C=CC(=O)OCCCCCOC(=O)C=C,0
-kazius_67910-07-0,O=Cc1ccc2-c1cocc2COC(=O)CC(C)C,1
-kazius_17526-33-9,CC(=O)OCc1c2ccccc2cc2c1c1ccccc1cc2,1
-kazius_57-71-6,C/C(=N\O)/C(=O)C,0
-kazius_97-52-9,COc1cc(ccc1N)[N+](=O)[O-],1
-kazius_67464-46-4,c1ccc2c(-c3ccccc3[C@@H]3[C@H]2N3)c1,1
-kazius_41340-19-6,CC[C@]1(OCCc2c1n(C)c1c2cccc1)CC(=O)O,0
-kazius_60-51-5,CNC(=O)CSP(=S)(OC)OC,1
-kazius_65847-03-2,COc1c2c(CC=C(C)C)c3OCOc3c(c2nc2c1cco2)O,0
-kazius_611-22-3,ONc1ccccc1C,1
-kazius_357-57-3,COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CCN2[C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2,0
-kazius_120-23-0,OC(=O)COc1ccc2c(c1)cccc2,0
-kazius_78448-08-5,Oc1ccc2c(c1)c1c(cc2)[nH]c2c1c1ccccc1cc2,1
-kazius_13284-42-9,CC/C=C\C#N,0
-kazius_110-26-9,C=CC(=O)NCNC(=O)C=C,1
-kazius_100-29-8,CCOc1ccc(cc1)[N+](=O)[O-],1
-kazius_5306-96-7,Cc1c(N)ccc(c1C)N,0
-kazius_24085-08-3,OCc1cc(ccc1O)C(=O)CN(C(C)(C)C)Cc1ccccc1.Cl,1
-kazius_6638-64-8,[O-][N+](=O)c1ccc2c(c1)oc(=O)c1c2cccc1,1
-kazius_146795-40-6,O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1Cl,1
-kazius_134514-27-5,Nc1cc([N+](=O)[O-])c(cc1F)N,1
-kazius_6151-25-3,Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O.O.O,1
-kazius_35282-72-5,ClCc1cccc(c1)/N=N/c1ccc(cc1)N(C)C,1
-kazius_111712-50-6,C[C@H]([C@@H](CCl)Br)Br,1
-kazius_97284-34-9,Oc1ncc2c3c1ccc1c3c(cc2)ccc1,0
-kazius_140695-21-2,CNCc1ccc(o1)CSCCN/C(=N/S(=O)(=O)C)/NC[C@@H](c1ccc(cc1)O)O,0
-kazius_671-16-9,CNNCc1ccc(cc1)C(=O)NC(C)C,0
-kazius_146177-57-3,Cc1cc2n(C)c(nc2c2c1nccn2)N,1
-kazius_7258-52-8,c1ccc2c(c1)ccc1c2c2CCCc2cc1,1
-kazius_87633-43-0,COC[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C,1
-kazius_29128-23-2,[O-][N+](=O)c1cc(cc(c1c1ccccc1)[N+](=O)[O-])[N+](=O)[O-],1
-kazius_260-94-6,c1ccc2c(c1)nc1c(c2)cccc1,1
-kazius_74011-58-8,CCn1cc(C(=O)O)c(=O)c2c1nc(N1CCNCC1)c(c2)F,1
-kazius_58337-49-8,CC(=O)N[C@H](C(=O)O)CSCCCl,1
-kazius_98-87-3,ClC(c1ccccc1)Cl,1
-kazius_1204-68-8,ClCCN(c1ccc(cc1)C)CCCl,0
-kazius_7297-53-2,Clc1cccc(c1)/C=C/c1ccc(cc1)[N+](=O)[O-],1
-kazius_106323-85-7,[O-][N+](=O)c1cc(ccc1c1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],1
-kazius_1085-98-9,CN(S(=O)(=O)N(c1ccccc1)SC(Cl)(Cl)F)C,0
-kazius_924-16-3,CCCCN(N=O)CCCC,1
-kazius_14308-65-7,[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NC,1
-kazius_111-42-2,OCCNCCO,0
-kazius_51264-14-3,COc1cc(ccc1Nc1c2ccccc2nc2c1cccc2)NS(=O)(=O)C,1
-kazius_111380-08-6,O=Nc1n(C)cnc1c1ccccc1,1
-kazius_2815-45-4,CC([C@@H]1CC[C@@]2(CC1)OC2)(C)C,0
-kazius_138835-36-6,[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(n1)cccc2,1
-kazius_76-38-0,COC(C(Cl)Cl)(F)F,0
-kazius_39653-72-0,N#CC1=Cc2c3c1cccc3ccc2,1
-kazius_773-76-2,Clc1cc(Cl)c2c(c1O)nccc2,0
-kazius_110-62-3,CCCCC=O,0
-kazius_23043-62-1,Nc1ccc2c(c1)c(N)c1c(n2)cccc1,1
-kazius_100-65-2,ONc1ccccc1,1
-kazius_612-57-7,Clc1ccc2c(c1)cccn2,1
-kazius_191-30-0,c1ccc2c(c1)c1c3ccccc3c3c4c1c(c2)ccc4ccc3,1
-kazius_14901-07-6,CC(=O)/C=C/C1=C(C)CCCC1(C)C,0
-kazius_97461-38-6,CC[C@H](OC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,1
-kazius_1300-72-7,Cc1ccc(cc1C)S(=O)(=O)O.[Na+],0
-kazius_59652-29-8,CCc1cccc2c1oc(c2)[C@@H](CNC(C)(C)C)O.Cl,0
-kazius_7149-26-0,C=C[C@@](OC(=O)c1ccccc1N)(CCC=C(C)C)C,0
-kazius_1767-28-8,Oc1ccc2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],1
-kazius_91085-62-0,Cl/C=C(\SCc1ccccc1)/Cl,1
-kazius_67028-20-0,Cc1cccc2c1nc1c(c2)ccc2c1cccc2,0
-kazius_134-31-6,OS(=O)(=O)O.Oc1cccc2c1nccc2.Oc1cccc2c1nccc2,1
-kazius_49852-84-8,ClCc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0
-kazius_486-66-8,Oc1ccc(cc1)c1coc2c(c1=O)ccc(c2)O,0
-kazius_120-78-5,c1ccc2c(c1)sc(n2)SSc1nc2c(s1)cccc2,1
-kazius_71382-49-5,c1ccc2-c3cc4ccc5c(c4cc3[C@@H]3[C@H](c2c1)N3)cccc5,1
-kazius_57-41-0,O=C1NC(=O)NC1(c1ccccc1)c1ccccc1,0
-kazius_84-75-3,CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC,0
-kazius_33757-42-5,CC(=O)Nc1cccc2c1nccc2,1
-kazius_109-97-7,c1ccc[nH]1,0
-kazius_19900-72-2,CCc1cc(N)cc(c1Cc1c(C)cc(cc1CC)N)C,0
-kazius_107-16-4,OCC#N,0
-kazius_123-54-6,CC(=O)CC(=O)C,0
-kazius_10184-51-7,[CH-]1N=c2c(=C([N+]1=O)N)ncn2C,1
-kazius_53175-28-3,C/C=C(\C=O)/Cl,1
-kazius_87-51-4,OC(=O)Cc1c[nH]c2c1cccc2,0
-kazius_2016-88-8,NC(=N)NC(=O)c1nc(Cl)c(nc1N)N.Cl,1
-kazius_2735-04-8,COc1ccc(c(c1)OC)N,1
-kazius_21416-67-1,O=C1CN(CCCN2CC(=O)NC(=O)C2)CC(=O)N1,0
-kazius_6223-35-4,CC(c1ccc(c2-c(c1)c(C)cc2S(=O)(=O)O)C)C.[Na+],0
-kazius_81-14-1,[O-][N+](=O)c1c(C)c(C(=O)C)c(c(c1C(C)(C)C)[N+](=O)[O-])C,0
-kazius_51775-36-1,ClC[C@@]12[C@H](Cl)[C@H]([C@H](C2(CCl)CCl)CC1(Cl)Cl)Cl,0
-kazius_634-66-2,Clc1c(Cl)ccc(c1Cl)Cl,0
-kazius_5742-17-6,OC(=O)COc1ccc(cc1Cl)Cl.CC(N)C,0
-kazius_90-05-1,COc1ccccc1O,0
-kazius_77500-04-0,Cc1cnc2c(n1)c1nc(n(c1cc2)C)N,1
-kazius_549-49-5,C=C[C@@H]1CN2CC[C@H]1C[C@H]2[C@@H](c1ccnc2c1cc(OC)cc2)O.Br,0
-kazius_522-19-0,COc1cc(OC)c2c(c1)c(OC)c1c(n2)occ1,1
-kazius_36239-01-7,CC(=O)OCN([N+](=O)[O-])C,1
-kazius_594-72-9,CC([N+](=O)[O-])(Cl)Cl,1
-kazius_137-26-8,CN(C(=S)SSC(=S)N(C)C)C,1
-kazius_939-99-1,ClCc1ccc(cc1)C(F)(F)F,0
-kazius_1732-23-6,Nc1cc2ccc3c4c2c(c1)ccc4ccc3,1
-kazius_1135-14-4,Nc1ccc(cc1)Sc1ccccc1,1
-kazius_501-52-0,OC(=O)CCc1ccccc1,0
-kazius_64625-66-7,O[C@H]1[C@H]2O[C@H]2c2c([C@@H]1O)ccc1c2cc2ccccc2c1C,1
-kazius_92569-05-6,ClC(C(=O)N1CCN(C1=O)c1ncc(s1)[N+](=O)[O-])Cl,1
-kazius_115-53-7,COC1=C[C@@H]2[C@@H]3Cc4c([C@@]2(CC1=O)CCN3C)c(O)c(cc4)OC,0
-kazius_131-91-9,O=Nc1c(O)ccc2c1cccc2,0
-kazius_64099-28-1,COc1nsc2c1cc(N)cc2,1
-kazius_3811-71-0,Nc1cc(N)c(cc1/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)O)/N=N/c1ccc(cc1)S(=O)(=O)O,1
-kazius_128714-75-0,[O-][N+](=O)c1c2ccccc2c2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],1
-kazius_6027-98-1,COc1ccc2c(c1)[nH]c1c2CCN=C1C.Cl.O.O,0
-kazius_85-91-6,COC(=O)c1ccccc1NC,0
-kazius_107210-40-2,OCCN(c1ccc(c2c1nc1ccccc1c2NCCCN(C)C)[N+](=O)[O-])CCO,1
-kazius_94-82-6,OC(=O)CCCOc1ccc(cc1Cl)Cl,0
-kazius_146795-29-1,Cc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],1
-kazius_53-19-0,ClC([C@@H](c1ccccc1Cl)c1ccc(cc1)Cl)Cl,0
-kazius_3787-28-8,O=CC(=C(Cl)Cl)Cl,1
-kazius_524-15-2,COc1cccc2c1nc1occc1c2OC,1
-kazius_65176-75-2,COc1cc(O)c2c(c1OC)oc1c(c2=O)c(OC)cc2c1[C@@H]1C=CO[C@H]1O2,1
-kazius_104-76-7,CCCC[C@H](CO)CC,0
-kazius_20983-67-9,Clc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],1
-kazius_13552-44-8,Nc1ccc(cc1)Cc1ccc(cc1)N.Cl.Cl,1
-kazius_26289-39-4,O=C(N[C@@H](C(=O)NCC(=O)O)CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])CC[C@H](C(=O)O)N,1
-kazius_78-70-6,C=C[C@@](CCC=C(C)C)(O)C,0
-kazius_87619-82-7,OC(=O)[C@H](CS/C(=C(/C(=C(Cl)Cl)Cl)\Cl)/Cl)N,1
-kazius_145439-03-8,O=NN(C(=O)c1c(NC)ncn1C)C,1
-kazius_1576-67-6,Cc1ccc2c(c1)c1cc(C)ccc1cc2,1
-kazius_110004-69-8,[N-]=[N+]=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1C,1
-kazius_5344-87-6,Br[C@H](C(C)(C)C)C(=O)Nc1ccccc1,0
-kazius_138-42-1,[O-][N+](=O)c1ccc(cc1)S(=O)(=O)O,0
-kazius_98-57-7,Clc1ccc(cc1)S(=O)(=O)C,0
-kazius_38914-97-5,ClCCN(CCCNc1c2ccccc2nc2c1cccc2)CC.Cl.Cl,1
-kazius_64000-73-3,CN(c1cc/c(=N\N)/[nH]n1)C[C@H](O)C,1
-kazius_2381-15-9,Cc1ccc2c(c1)cc1c(c2)ccc2c1cccc2,1
-kazius_41340-25-4,CC[C@]1(OCCc2c1[nH]c1c2cccc1CC)CC(=O)O,0
-kazius_77-90-7,CCCCOC(=O)C(OC(=O)C)(CC(=O)OCCCC)CC(=O)OCCCC,0
-kazius_1955-45-9,O=C1OCC1(C)C,1
-kazius_53609-64-6,C[C@H](CN(C[C@H](O)C)N=O)O,1
-kazius_78-89-7,C[C@H](CO)Cl,1
-kazius_34798-80-6,CC(=O)C1(CCNCC1)c1ccccc1,0
-kazius_119631-00-4,Cc1ccc(cc1N)/N=N/c1ccc(c(c1)N)C,1
-kazius_97-77-8,CCN(C(=S)SSC(=S)N(CC)CC)CC,0
-kazius_90-41-5,Nc1ccccc1c1ccccc1,1
-kazius_66734-13-2,CCC(=O)O[C@@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H](O)[C@H]1[C@H]2[C@@H](Cl)CC2=CC(=O)C=C[C@]12C)C(=O)COC(=O)CC,0
-kazius_632-21-3,ClC(C(=O)C(Cl)Cl)Cl,1
-kazius_298-81-7,COc1c2oc(=O)ccc2cc2c1occ2,1
-kazius_98600-98-7,O[C@@H]1C=Cc2c([C@H]1O)cc(c1c2cc2ccccc2c1)C,1
-kazius_150-13-0,OC(=O)c1ccc(cc1)N,0
-kazius_2243-61-0,Nc1ccc(c2c1cccc2)N,1
-kazius_22071-15-4,OC(=O)[C@H](c1cccc(c1)C(=O)c1ccccc1)C,0
-kazius_2039-87-4,C=Cc1ccccc1Cl,0
-kazius_120388-69-4,O=Nc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,1
-kazius_114480-41-0,CC(=O)Nc1nc2c(n1C)c(C)cc1c2cccn1,1
-kazius_80-70-6,CN(C(=N)N(C)C)C,0
-kazius_80734-02-7,O=C([C@@H](c1ccccc1)N)N[C@@H]1C(=O)N2[C@H]1SC([C@@H]2C(=O)OCc1oc(=O)oc1C)(C)C.Cl,0
-kazius_6317-18-6,N#CSCSC#N,0
-kazius_50-79-3,Clc1ccc(c(c1)C(=O)O)Cl,0
-kazius_581-50-0,c1ccc(nc1)c1cccnc1,1
-kazius_82389-36-4,CC(=O)Nc1ccc(cc1)[C@H]1O[C@H]1C(=O)c1ccccc1,1
-kazius_103-11-7,CCCC[C@H](COC(=O)C=C)CC,0
-kazius_59230-81-8,BrCc1c2ccccc2c(c2c1c1ccccc1cc2)C,1
-kazius_124-04-9,OC(=O)CCCCC(=O)O,0
-kazius_99-73-0,BrCC(=O)c1ccc(cc1)Br,0
-kazius_27032-78-6,O=C1NCNC(=O)N1,1
-kazius_5623-11-0,CC(=O)Nc1cccc(c1C(=O)O)N,1
-kazius_4436-24-2,O1C[C@@H]1Cc1ccccc1,1
-kazius_57-11-4,CCCCCCCCCCCCCCCCCC(=O)O,0
-kazius_119-64-2,C1CCc2c(C1)cccc2,0
-kazius_4097-53-4,Oc1c(cc(cc1[N+](=O)[O-])c1ccccc1)[N+](=O)[O-],1
-kazius_5776-38-5,C[n+]1c2ccccc2c(c2c1cccc2)N.Cl,1
-kazius_610-67-3,CCOc1ccccc1[N+](=O)[O-],1
-kazius_91540-29-3,CCCCCN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,1
-kazius_10540-29-1,CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1,0
-kazius_18031-40-8,O=CC1=CC[C@H](CC1)C(=C)C,0
-kazius_33942-93-7,Cc1ccc2c(c1)cc1c(n2)c2ccccc2cc1,1
-kazius_920-66-1,OC(C(F)(F)F)C(F)(F)F,0
-kazius_22349-59-3,Cc1ccc(c2c1ccc1c2cccc1)C,1
-kazius_590-86-3,O=CCC(C)C,0
-kazius_189-55-9,c1ccc2c(c1)c1ccc3c4c1c(c2)ccc4cc1c3cccc1,1
-kazius_1488-25-1,C1=C[C@@H]2[C@H](C=C1)O2,1
-kazius_1874-24-4,[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OC,1
-kazius_41830-80-2,O[Cl](=O)(=O)=O.N=c1ccc2-c(c1)oc1c(n2)c2ccccc2c(c1)N,1
-kazius_606-22-4,Nc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],1
-kazius_76-44-8,Cl[C@H]1C=C[C@@H]2[C@@H]1[C@@]1(Cl)C(=C([C@@]2(C1(Cl)Cl)Cl)Cl)Cl,0
-kazius_5557-27-7,COc1cc(OC)c2c(c1)oc1c(c2=O)c(O)ccc1OC,1
-kazius_548-39-0,O=C1C=Cc2c3c1cccc3ccc2,1
-kazius_1838-94-4,C[C@@]1(CO1)C=C,0
-kazius_3081-14-9,C[C@@H](Nc1ccc(cc1)N[C@@H](CCC(C)C)C)CCC(C)C,0
-kazius_161697-01-4,CCc1nc2c(nc1CC)ccc(c2C)NC,1
-kazius_94-52-0,[O-][N+](=O)c1ccc2c(c1)nc[nH]2,1
-kazius_79-20-9,COC(=O)C,0
-kazius_99-07-0,Oc1cccc(c1)N(C)C,1
-kazius_75-64-9,CC(N)(C)C,0
-kazius_124-40-3,CNC,0
-kazius_622-79-7,[N-]=[N+]=NCc1ccccc1,1
-kazius_1845-30-3,CC1=C[C@@H](O)[C@@H]2C[C@H]1C2(C)C,0
-kazius_150-68-5,CN(C(=O)Nc1ccc(cc1)Cl)C,0
-kazius_78-40-0,CCOP(=O)(OCC)OCC,0
-kazius_1124-33-0,[O-][n+]1ccc(cc1)[N+](=O)[O-],1
-kazius_93-72-1,C[C@H](C(=O)O)Oc1cc(Cl)c(cc1Cl)Cl,0
-kazius_10567-95-0,Cc1c2cc(C)c3c(c2nc2c1cccc2)cccc3,1
-kazius_80266-02-0,[N-]=[N+]=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1,1
-kazius_107-22-2,O=CC=O,1
-kazius_6757-06-8,O[C@@H]1[C@@H](O)[C@@H](O[C@@H]1n1ccc(=N)[nH]c1=O)COP(=O)(O)O,0
-kazius_122349-91-1,Cc1cc(C)c2c(n1)cc(c(c2)C)N,1
-kazius_67-63-0,CC(O)C,0
-kazius_28342-33-8,COc1c(OC)ccc2c1c(=O)n(C)c1c2ccc2c1cc1OCOc1c2,1
-kazius_96910-71-3,O=CC1=C[C@@]2(O)CC(C[C@H]2[C@]2([C@]1(C=O)C2)C)(C)C,1
-kazius_78-59-1,CC1=CC(=O)CC(C1)(C)C,0
-kazius_57-66-9,CCCN(S(=O)(=O)c1ccc(cc1)C(=O)O)CCC,0
-kazius_50-30-6,OC(=O)c1c(Cl)cccc1Cl,0
-kazius_106-42-3,Cc1ccc(cc1)C,0
-kazius_23246-96-0,C/C=C\1/CC(=C)[C@](O)(CO)C(=O)OCC2=CCN3[C@H]2[C@H](OC1=O)CC3,1
-kazius_122-80-5,CC(=O)Nc1ccc(cc1)N,1
-kazius_71-23-8,CCCO,0
-kazius_1929-82-4,Clc1cccc(n1)C(Cl)(Cl)Cl,1
-kazius_110-02-1,c1cccs1,0
-kazius_80-40-0,CCOS(=O)(=O)c1ccc(cc1)C,1
-kazius_77-79-2,O=S1(=O)CC=CC1,0
-kazius_96-67-3,[O-][N+](=O)c1cc(N)c(c(c1)S(=O)(=O)O)O,0
-kazius_20589-63-3,[O-][N+](=O)c1ccc2c3c1cccc3c1c3c2cccc3ccc1,1
-kazius_642-83-1,CC(=O)O[C@@H]1C(=O)O[C@H]2[C@H]1OC(=O)[C@@H]2OC(=O)C,0
-kazius_6795-27-3,CC(=O)N/N=C/c1c[n+]([O-])c2c([n+]1[O-])cccc2,1
-kazius_874-86-2,ClCc1ccc(cc1)C#N,0
-kazius_64-02-8,OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Na+].[Na+],0
-kazius_54-05-7,CCN(CCC[C@H](Nc1ccnc2c1ccc(c2)Cl)C)CC,1
-kazius_607-57-8,[O-][N+](=O)c1ccc2-c3c(Cc2c1)cccc3,1
-kazius_72076-98-3,c1ccc2c(c1)c1ccc3c4c1c(c2)sc4ccc3,1
-kazius_17418-58-5,Nc1c(Oc2ccccc2)cc(c2c1C(=O)c1ccccc1C2=O)O,1
-kazius_141511-30-0,[O-][N+](=O)c1ccc2-c3cc4CCc5c(-c4cc3CCc2c1)cccc5,1
-kazius_130-15-4,O=C1C=CC(=O)c2c1cccc2,1
-kazius_54083-22-6,COc1cccc2c1C(=O)c1c(O)c3[C@@H](O[C@H]4C[C@H](N)[C@@H]([C@@H](O4)C)O)C[C@](Cc3c(c1C2=O)O)(O)/C(=N/NC(=O)c1ccccc1)/C,1
-kazius_872-05-9,CCCCCCCCC=C,0
-kazius_1746-01-6,Clc1cc2Oc3cc(Cl)c(cc3Oc2cc1Cl)Cl,0
-kazius_2784-27-2,O=C1NC(=O)[C@](N1)(c1ccc(cc1)O)c1ccccc1,0
-kazius_84-15-1,c1ccc(cc1)c1ccccc1c1ccccc1,0
-kazius_104-82-5,ClCc1ccc(cc1)C,0
-kazius_90594-13-1,Nc1cnc2c(c1)nc1n2cccc1,1
-kazius_146795-35-9,Fc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],1
-kazius_530-62-1,O=C(n1cncc1)n1cncc1,0
-kazius_119-34-6,Nc1ccc(c(c1)[N+](=O)[O-])O,1
-kazius_102-01-2,O=C(Nc1ccccc1)CC(=O)C,0
-kazius_146-68-9,Ic1ccc(cc1)[n+]1nc(nn1c1ccc(cc1)[N+](=O)[O-])c1ccccc1,0
-kazius_89-72-5,CC[C@H](c1ccccc1O)C,0
-kazius_280-57-9,C1CN2CCN1CC2,0
-kazius_111712-45-9,BrC[C@H]([C@H](O[P@](=O)(O[C@@H]([C@@H](CBr)Br)C)O[C@@H]([C@@H](CBr)Br)C)C)Br,1
-kazius_2381-21-7,Cc1ccc2c3c1ccc1c3c(cc2)ccc1,1
-kazius_623-10-9,ONc1ccc(cc1)C,1
-kazius_613-13-8,Nc1ccc2c(c1)cc1c(c2)cccc1,1
-kazius_13104-21-7,Br/C=C(\c1ccc(cc1Cl)Cl)/OP(=O)(OC)OC,0
-kazius_25265-71-8,C[C@H](COC[C@H](O)C)O,0
-kazius_151258-40-1,O[C@@H]1[C@@H](O)C=C2c3c1cccc3-c1c2ccc2c1cccc2,1
-kazius_122-14-5,COP(=S)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,0
-kazius_143-07-7,CCCCCCCCCCCC(=O)O,0
-kazius_55-21-0,NC(=O)c1ccccc1,0
-kazius_78-95-5,CC(=O)CCl,0
-kazius_51-65-0,N[C@@H](C(=O)O)Cc1ccc(cc1)F,0
-kazius_959-33-1,COc1ccc(cc1)/C=C/C(=O)c1ccccc1,0
-kazius_5784-45-2,Clc1nncc2c1cccc2,0
-kazius_1193-54-0,O=C1NC(=O)C(=C1Cl)Cl,1
-kazius_100-41-4,CCc1ccccc1,0
-kazius_458-37-7,COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(c(c2)OC)O)ccc1O,0
-kazius_17433-31-7,CC(=O)NNC(=O)c1ccccn1,0
-kazius_2208-41-5,COc1cc2c(CCNC(=O)C)c[nH]c2cc1O,0
-kazius_4719-04-4,OCCN1CN(CCO)CN(C1)CCO,1
-kazius_3322-93-8,BrC[C@H]([C@@H]1CC[C@H]([C@H](C1)Br)Br)Br,0
-kazius_151-18-8,NCCC#N,0
-kazius_60-82-2,Oc1ccc(cc1)CCC(=O)c1c(O)cc(cc1O)O,0
-kazius_75-34-3,CC(Cl)Cl,0
-kazius_578-95-0,O=c1c2ccccc2[nH]c2c1cccc2,0
-kazius_117066-35-0,O[C@H]1[C@H](O)c2nc3ccc4c(c3cc2-c2c1cccc2)cccc4,0
-kazius_2363-23-7,CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],1
-kazius_58658-11-0,Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,1
-kazius_536-33-4,CCc1nccc(c1)C(=S)N,0
-kazius_97931-39-0,[O-][N+](=O)c1c2ccccc2c2c3c1CCc1c3c(cc2)ccc1,1
-kazius_106-97-8,CCCC,0
-kazius_33389-36-5,OCCNc1nc(nc2c1cccc2)c1ccc(s1)[N+](=O)[O-],1
-kazius_110-57-6,ClCC=CCCl,1
-kazius_1615-02-7,OC(=O)/C=C/c1ccc(cc1)Cl,0
-kazius_103393-70-0,ClCc1cc2cccc3-c4c(-c(c1)c23)cccc4,1
-kazius_7269-60-5,ONc1ncnc2c1ncn2C,1
-kazius_1074-12-0,O=CC(=O)c1ccccc1,1
-kazius_5047-01-8,[O-][N+](=O)c1ccc2c(c1)ccc1c2ccc(c1)[N+](=O)[O-],1
-kazius_109-73-9,CCCCN,0
-kazius_79-09-4,CCC(=O)O,0
-kazius_25973-55-1,CCC(c1cc(N2Nc3c(N2)cccc3)c(c(c1)C(CC)(C)C)O)(C)C,0
-kazius_123-30-8,Nc1ccc(cc1)O,0
-kazius_6270-13-9,OCCN(c1ccc2c(c1)cccc2)CCO,1
-kazius_108-93-0,OC1CCCCC1,0
-kazius_50-00-0,C=O,1
-kazius_99-98-9,CN(c1ccc(cc1)N)C,1
-kazius_92-62-6,Nc1ccc2c(c1)nc1c(c2)ccc(c1)N,1
-kazius_147293-15-0,Nc1nc2c(n1C)ccc1c2ccnc1,1
-kazius_614-48-2,O=C(c1ccccc1)/C=C/c1cccc(c1)[N+](=O)[O-],0
-kazius_94500-46-6,ClCc1cc2cc3ccccc3c3c2c2c1cccc2cc3,1
-kazius_620-89-3,Cc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],1
-kazius_756-79-6,COP(=O)(OC)C,0
-kazius_555-66-8,CCCCC/C=C/C(=O)CCc1ccc(c(c1)OC)O,1
-kazius_64371-62-6,C[C@]1(OC1)c1ccc(cc1)c1ccccc1,1
-kazius_112-53-8,CCCCCCCCCCCCO,0
-kazius_13306-69-9,COP(=S)(Oc1ccc(c(c1)C)N)OC,1
-kazius_117-08-8,O=C1OC(=O)c2c1c(Cl)c(c(c2Cl)Cl)Cl,0
-kazius_2314-61-6,S=c1scc(s1)c1ccccc1,0
-kazius_6755-16-4,[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NCC,1
-kazius_100333-37-7,O[C@H]1C=Cc2c([C@@H]1O)ccc1-c3c4c(-c21)cccc4ccc3,1
-kazius_4394-00-7,OC(=O)c1cccnc1Nc1cccc(c1)C(F)(F)F,0
-kazius_19408-84-5,COc1cc(CNC(=O)CCCCCCC(C)C)ccc1O,1
-kazius_96-37-7,CC1CCCC1,0
-kazius_20562-03-2,OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@H]4[C@H]3CC[C@]3([C@H]4C[C@@H]4[C@@H]3[C@H](C)[C@H]3N4C[C@@H](CC3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O[C@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O)O)O,0
-kazius_122-69-0,O=C(/C=C/c1ccccc1)OC/C=C/c1ccccc1,1
-kazius_76180-96-6,Nc1nc2c(n1C)ccc1c2cccn1,1
-kazius_70897-83-5,O[C@@H]1C[C@@]23[C@](C1)(O3)C=CC=C2,0
-kazius_106671-91-4,O=Nc1c(nc2n1ccs2)c1ccc(cc1)Cl,1
-kazius_62826-28-2,COc1ccccc1C[C@H]1CO1,1
-kazius_1663-39-4,C=CC(=O)OC(C)(C)C,0
-kazius_616-44-4,Cc1cscc1,0
-kazius_74940-61-7,ClCC(=O)O[C@H](P(=O)(OC)OC)C(Cl)(Cl)Cl,0
-kazius_63041-90-7,[O-][N+](=O)c1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,1
-kazius_6098-45-9,CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)OC(=O)c1ccccc1,1
-kazius_121-89-1,CC(=O)c1cccc(c1)[N+](=O)[O-],1
-kazius_873-76-7,OCc1ccc(cc1)Cl,0
-kazius_15743-13-2,ClC1=C(Cl)C(=O)C(C1=O)(Cl)Cl,0
-kazius_396-30-5,Fc1ccc2c(c1)cccn2,1
-kazius_86674-49-9,Oc1cc([N+](=O)[O-])c2c3c1ccc1c3c(cc2)ccc1,1
-kazius_1806-54-8,CCCCCCCCOP(=O)(OCCCCCCCC)OCCCCCCCC,0
-kazius_3208-16-0,CCc1ccco1,0
-kazius_106589-50-8,C1=Cc2c(CC1)c1cc3c(nc1cc2)ccc1c3cccc1,1
-kazius_78281-06-8,O=CN(c1ccc(cc1)c1ccccc1)O,1
-kazius_113698-22-9,COC1=CC(=O)c2c(C1=O)nc(c1c2[nH]c2c1cccc2)C,1
-kazius_85-86-9,Oc1ccc2c(c1/N=N/c1ccc(cc1)/N=N/c1ccccc1)cccc2,1
-kazius_84498-34-0,Oc1cc2ccccc2c2c1c1ccccc1cc2,0
-kazius_98-33-9,Nc1ccc(cc1C)S(=O)(=O)O,0
-kazius_134-62-3,CCN(C(=O)c1cccc(c1)C)CC,0
-kazius_108043-88-5,O=c1ccc2c([nH]1)ccc1c2nc(n1C)N,1
-kazius_534-07-6,ClCC(=O)CCl,1
-kazius_10159-53-2,ClCCN([P@](=O)(O)N)CCCl,1
-kazius_53716-49-7,OC(=O)[C@H](c1ccc2c(c1)[nH]c1c2cc(cc1)Cl)C,0
-kazius_602-06-2,Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1c1c(O)cc(c2c1C(=O)c1cc(C)cc(c1C2=O)O)O)O,0
-kazius_585-86-4,OC[C@H]([C@H]([C@@H]([C@H](CO)O)O)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O,0
-kazius_13436-58-3,Cn1cc2c(n1)c(ccc2)[N+](=O)[O-],1
-kazius_394-70-7,Fc1ccnc2c1cccc2,1
-kazius_87-82-1,Brc1c(Br)c(Br)c(c(c1Br)Br)Br,0
-kazius_5737-13-3,O=c1c2cccc3c2c2c1cccc2cc3,1
-kazius_125974-01-8,ClCC1=C(Cl)C(=O)OC1,1
-kazius_85-01-8,c1ccc2c(c1)c1ccccc1cc2,1
-kazius_75-04-7,CCN,0
-kazius_35203-91-9,NS(=O)(=O)c1cccc2c1nccc2,0
-kazius_50892-23-4,OC(=O)CSc1nc(cc(n1)Cl)Nc1cccc(c1C)C,0
-kazius_611-23-4,O=Nc1ccccc1C,1
-kazius_26741-53-7,CC(c1cc(ccc1OP1OC[C@]2(CO1)COP(OC2)Oc1ccc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)C,0
-kazius_78448-09-6,Oc1cccc2c1ccc1c2c2c([nH]1)ccc1c2cccc1,1
-kazius_431-03-8,CC(=O)C(=O)C,1
-kazius_43192-07-0,ONc1ccc(c(c1)C)C,1
-kazius_95-93-2,Cc1cc(C)c(cc1C)C,0
-kazius_146795-41-7,Brc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],1
-kazius_96918-27-3,[O-][N+](=O)c1cc2c(o1)cc1c3c2ccc2c3c(cc1)ccc2,1
-kazius_109-43-3,CCCCOC(=O)CCCCCCCCC(=O)OCCCC,0
-kazius_330-54-1,O=C(N(C)C)Nc1ccc(c(c1)Cl)Cl,1
-kazius_136-77-6,CCCCCCc1ccc(cc1O)O,0
-kazius_18028-55-2,Cc1ccc(c2c1c1ccccc1[nH]2)C,1
-kazius_38178-41-5,[O-][N+](=O)c1ccc2c(c1)Oc1c(O2)cccc1,1
-kazius_79-81-2,CCCCCCCCCCCCCCCC(=O)OC/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C,0
-kazius_59-87-0,NC(=O)N/N=C/c1ccc(o1)[N+](=O)[O-],1
-kazius_110690-43-2,CCOCn1c(=O)n(cc(c1=O)F)C(=O)c1cccc(c1)C(=O)Oc1nc(ccc1C#N)OC(=O)c1ccccc1,0
-kazius_146177-58-4,Cc1nc2c(nc1C)c(C)cc1c2nc(n1C)N,1
-kazius_57-06-7,C=CCN=C=S,1
-kazius_509-14-8,[O-][N+](=O)C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-],1
-kazius_122-20-3,C[C@H](CN(C[C@H](O)C)C[C@H](O)C)O,0
-kazius_50264-69-2,Clc1ccc(c(c1)Cl)Cn1nc(c2c1cccc2)C(=O)O,0
-kazius_185-75-1,C1CC[C@@]2(CO1)CO2,1
-kazius_51230-49-0,Clc1ccc2c(c1)c1ccccc1o2,1
-kazius_13345-21-6,Oc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,1
-kazius_35572-78-2,[O-][N+](=O)c1cc(N)c(c(c1)[N+](=O)[O-])C,1
-kazius_495-48-7,[O-]/[N+](=N\c1ccccc1)/c1ccccc1,1
-kazius_98-88-4,ClC(=O)c1ccccc1,1
-kazius_437-50-3,COc1cc(O)c2c(c1)oc1c(c2=O)cc(cc1)O,1
-kazius_117-80-6,O=C1C(=C(Cl)C(=O)c2c1cccc2)Cl,1
-kazius_91254-96-5,Oc1cc2cccc3c2c2c1ccc(c2cc3)[N+](=O)[O-],1
-kazius_523-66-0,COc1ccc2c(c1)nc1c(c2OC)cco1,1
-kazius_118-79-6,Brc1cc(Br)c(c(c1)Br)O,0
-kazius_504-78-9,C1NCCS1,1
-kazius_24903-48-8,c1ccc2c(c1)c1cc3ccc4c(c3cc1cc2)cncc4,1
-kazius_452-06-2,Nc1ncc2c(n1)nc[nH]2,0
-kazius_122-39-4,c1ccc(cc1)Nc1ccccc1,0
-kazius_637-07-0,CCOC(=O)C(Oc1ccc(cc1)Cl)(C)C,0
-kazius_110-63-4,OCCCCO,0
-kazius_612-58-8,Cc1cnc2c(c1)cccc2,1
-kazius_577-19-5,[O-][N+](=O)c1ccccc1Br,1
-kazius_2528-36-1,CCCCOP(=O)(Oc1ccccc1)OCCCC,0
-kazius_97461-39-7,O=C(OC(C)(C)C)/C=C/c1ccc(o1)[N+](=O)[O-],1
-kazius_4368-56-3,Nc1c2C(=O)c3ccccc3C(=O)c2c(cc1S(=O)(=O)O)NC1CCCCC1,0
-kazius_79-15-2,NC(=O)CBr,0
-kazius_446-86-6,Cn1cnc(c1Sc1ncnc2c1nc[nH]2)[N+](=O)[O-],1
-kazius_30269-02-4,Nc1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],1
-kazius_134-32-7,Nc1cccc2c1cccc2,1
-kazius_21232-47-3,[O-]/[N+](=N\c1ccc(c(c1)Cl)Cl)/c1ccc(c(c1)Cl)Cl,0
-kazius_354-33-6,FC(C(F)(F)F)F,0
-kazius_49852-85-9,BrCc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,1
-kazius_67450-45-7,OC(=O)/C=C\C(=O)O.CCC(=O)N([C@@H]1CCC[C@H]1N(C)C)c1ccc(c(c1)Cl)Cl,0
-kazius_82617-23-0,NC(=O)O[C@H]1CO1,1
-kazius_149996-82-7,CCN(N=O)C=O,1
-kazius_115044-41-2,O/N=c\1/[nH]c2c(n1C)ccc1c2nc(C)cn1,1
-kazius_4130-42-1,CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C,0
-kazius_97-23-4,Oc1ccc(cc1Cc1cc(Cl)ccc1O)Cl,1
-kazius_869-01-2,CCCCN(C(=O)N)N=O,1
-kazius_23702-49-0,O=c1oc2cccc3c2c2c1cccc2cc3,0
-kazius_39965-42-9,O=C(NC(C)(C)C)/C=C/c1ccc(o1)[N+](=O)[O-],1
-kazius_15110-74-4,[O-][N+](=O)c1ccc2-c3c(Cc2c1)cccc3[N+](=O)[O-],1
-kazius_144-48-9,NC(=O)CI,0
-kazius_6804-07-5,COC(=O)N/N=C/c1c[n+]([O-])c2c([n+]1[O-])cccc2,1
-kazius_7327-87-9,OS(=O)(=O)O.NNc1nnc(c2c1cccc2)NN,1
-kazius_64224-21-1,S=c1ssc(c1C)c1cnccn1,0
-kazius_92-87-5,Nc1ccc(cc1)c1ccc(cc1)N,1
-kazius_1694-09-3,CC/[N+](=C/1\C=C/C(=C(\c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)/c2ccc(cc2)N(C)C)/C=C1)/Cc1cccc(c1)S(=O)(=O)O.[Na+],1
-kazius_634-67-3,Nc1ccc(c(c1Cl)Cl)Cl,0
-kazius_81-15-2,[O-][N+](=O)c1c(C)c([N+](=O)[O-])c(c(c1C(C)(C)C)[N+](=O)[O-])C,0
-kazius_10595-95-6,CN(N=O)CC,1
-kazius_69533-68-2,[O-][N+](=O)c1ccc2-c3ccc(cc3CCc2c1)[N+](=O)[O-],1
-kazius_38246-95-6,CCOc1ccc(cc1)NO,1
-kazius_57011-48-0,OC(CN=[N+]=[N-])CN=[N+]=[N-],1
-kazius_367-25-9,Fc1ccc(c(c1)F)N,1
-kazius_88193-04-8,Cc1cc2[nH]c3c(c2c2c1cccc2)c1ccccc1c(c3)C,1
-kazius_1210-35-1,O=C1c2ccccc2CCc2c1cccc2,0
-kazius_95-63-6,Cc1ccc(c(c1)C)C,0
-kazius_3077-85-8,[O-][N+](=O)c1ccc2c(c1)c1ccccc1[nH]2,1
-kazius_501-53-1,ClC(=O)OCc1ccccc1,0
-kazius_131-92-0,O=C(c1ccccc1)Nc1cccc2c1C(=O)c1ccc3c(c1C2=O)[nH]c1c3cc(c2c1C(=O)c1ccccc1C2=O)NC(=O)c1ccccc1,0
-kazius_30517-66-9,Oc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)CCO3,0
-kazius_89911-79-5,OC[C@H](CN(C[C@H](O)C)N=O)O,1
-kazius_16045-92-4,OC(=O)C[C@@H](C(=O)O)Cl,0
-kazius_2835-95-2,Nc1ccc(c(c1)O)C,1
-kazius_591-12-8,O=C1CC=C(O1)C,0
-kazius_128714-76-1,[O-][N+](=O)c1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],1
-kazius_7203-90-9,CN(/N=N/c1ccc(cc1)Cl)C,1
-kazius_92758-43-5,Nc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,1
-kazius_112022-10-3,CN(CCNC(=O)c1cccc2c1Oc1ccccc1O2)C,1
-kazius_4752-10-7,Clc1nnc(c2c1cccc2)Cl,0
-kazius_20930-10-3,CC#CC(c1ccccc1)(c1ccccc1)OC(=O)NC1CCCCC1,1
-kazius_70249-46-6,OCc1ccc2-c3c(-c4c2c1ccc4)cccc3,0
-kazius_616-69-3,[O-][N+](=O)c1cc(C)c(c(c1)[N+](=O)[O-])C,0
-kazius_114460-38-7,Oc1ccc2c(c1)c1c(cc2)ccc2c1n(C)cc2,1
-kazius_19996-03-3,ClCc1c2ccccc2c(c2c1cccc2)Cl,1
-kazius_495-18-1,ONC(=O)c1ccccc1,1
-kazius_1671-82-5,[O-][N+](=O)c1nccn1C,1
-kazius_123-91-1,O1CCOCC1,0
-kazius_625-86-5,Cc1ccc(o1)C,0
-kazius_2381-16-0,Cc1ccc2c(c1)cc1c(c2)c2ccccc2cc1,1
-kazius_99026-65-0,CC(=O)Nc1cc(O)c2c3c1ccc1c3c(cc2)ccc1,1
-kazius_91-22-5,c1ccc2c(c1)nccc2,1
-kazius_623-05-2,OCc1ccc(cc1)O,0
-kazius_1849-36-1,Sc1ccc(cc1)[N+](=O)[O-],1
-kazius_57-97-6,Cc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,1
-kazius_70458-96-7,CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCNCC1)c(c2)F,1
-kazius_32784-82-0,CS(=O)(=O)OCCCNCCCOS(=O)(=O)C.Cc1ccc(cc1)S(=O)(=O)O,1
-kazius_6313-44-6,[O-][N+](=O)C1c2ccccc2C(=O)c2c1cccc2,0
-kazius_103395-25-1,ClCc1ccc2c3c1-c1ccccc1-c3ccc2,1
-kazius_61-57-4,O=C1NCCN1c1ncc(s1)[N+](=O)[O-],1
-kazius_119631-01-5,Nc1cc2nc3c(nc2cc1C)ccc(c3N)C,1
-kazius_103139-94-2,Cc1cnc2c(n1)c1nc(n(c1cc2C)C)N,1
-kazius_2243-62-1,Nc1cccc2c1cccc2N,1
-kazius_53527-28-9,O=CC1=C[C@@]2([C@]([C@H]1C=O)(C)[C@H](OC(=O)C)C[C@H]1[C@@]2(C)CC[C@@H]2[C@]1(C)CCCC2(C)C)O,0
-kazius_24280-93-1,COc1c(C/C=C(/CCC(=O)O)\C)c(O)c2c(c1C)COC2=O,0
-kazius_4406-41-1,CC(C(=O)Nc1ccccc1)C,0
-kazius_1878-66-6,OC(=O)Cc1ccc(cc1)Cl,0
-kazius_146177-64-2,Cc1cc2c(c3c1ncc(n3)c1ccccc1)nc(n2C)N,1
-kazius_119-65-3,c1ccc2c(c1)cncc2,0
-kazius_32534-81-9,Brc1c(Oc2ccccc2)c(Br)c(c(c1Br)Br)Br,0
-kazius_5776-39-6,C[n+]1c2ccccc2cc2c1cccc2.Cl,1
-kazius_476-66-4,Oc1cc2c(=O)oc3c4c2c(c1O)oc(=O)c4cc(c3O)O,0
-kazius_102-32-9,OC(=O)Cc1ccc(c(c1)O)O,1
-kazius_39860-12-3,Cc1ccc2c(c1)nc(n2C)N,1
-kazius_935-95-5,Clc1cc(Cl)c(c(c1Cl)O)Cl,0
-kazius_62-73-7,COP(=O)(OC=C(Cl)Cl)OC,1
-kazius_108-88-3,Cc1ccccc1,0
-kazius_1194-65-6,N#Cc1c(Cl)cccc1Cl,0
-kazius_3153-55-7,COc1c(O)cc2c3c1-c1ccccc1C[C@H]3N(CC2)C,1
-kazius_96-13-9,OC[C@@H](CBr)Br,1
-kazius_35212-22-7,CC(Oc1ccc2c(c1)occ(c2=O)c1ccccc1)C,0
-kazius_117929-12-1,[O-][N+](=O)c1cc2CCc3c4c2c(c1)ccc4cc(c3)[N+](=O)[O-],1
-kazius_1613-37-2,[O-][n+]1cccc2c1cccc2,0
-kazius_86-42-0,CCN(Cc1cc(ccc1O)Nc1ccnc2c1ccc(c2)Cl)CC,0
-kazius_95-33-0,C1CCC(CC1)NSc1nc2c(s1)cccc2,0
-kazius_82-86-0,O=C1C(=O)c2c3c1cccc3ccc2,1
-kazius_1086-00-6,ClCc1ccc2c3c1ccc1c3c(cc2)ccc1,1
-kazius_612-64-6,CCN(c1ccccc1)N=O,0
-kazius_698-63-5,O=Cc1ccc(o1)[N+](=O)[O-],1
-kazius_31876-38-7,OC1=CC(=O)C1=O,0
-kazius_62450-06-0,Nc1nc(C)c2c(c1C)[nH]c1c2cccc1,1
-kazius_80-05-7,CC(c1ccc(cc1)O)(c1ccc(cc1)O)C,0
-kazius_2304-85-0,O=C1C=Cc2c3c1ccc1c3c(cc2)C=CC1=O,1
-kazius_19337-19-0,CC(=O)Nc1ccc(cc1)C(=O)/C=C/c1ccccc1,0
-kazius_79-21-0,CC(=O)OO,0
-kazius_968-81-0,O=C(NS(=O)(=O)c1ccc(cc1)C(=O)C)NC1CCCCC1,0
-kazius_161697-02-5,CNc1ccc2c(c1C)nc(cn2)c1ccccc1,1
-kazius_75-65-0,CC(O)(C)C,0
-kazius_3366-61-8,CC(=O)Nc1ccc(cc1)c1ccc(cc1)N,1
-kazius_130536-39-9,c1cnc2c(c1)C=C[C@H]1[C@@H]2O1,1
-kazius_52214-84-3,OC(=O)C(Oc1ccc(cc1)[C@@H]1CC1(Cl)Cl)(C)C,0
-kazius_922-63-4,CCC(=C)C=O,1
-kazius_99-08-1,Cc1cccc(c1)[N+](=O)[O-],0
-kazius_7576-88-7,Nc1ccc2c(c1)nc(c(n2)C)C,1
-kazius_6373-74-6,[O-][N+](=O)c1cc(ccc1Nc1ccc(c(c1)S(=O)(=O)O)Nc1ccccc1)[N+](=O)[O-].[Na+],1
-kazius_108-03-2,[O-][N+](=O)CCC,0
-kazius_110-88-3,O1COCOC1,0
-kazius_37853-59-1,Brc1cc(Br)cc(c1OCCOc1c(Br)cc(cc1Br)Br)Br,0
-kazius_39208-00-9,O=Cc1ccc(cc1)/N=N/c1ccc(cc1)N(C)C,1
-kazius_16354-55-5,CCc1c2ccccc2c(c2c1c1ccccc1cc2)C,0
-kazius_141-78-6,CCOC(=O)C,0
-kazius_2784-94-3,OCCN(c1ccc(c(c1)[N+](=O)[O-])NC)CCO,1
-kazius_150-69-6,CCOc1ccc(cc1)NC(=O)N,0
-kazius_86853-91-0,O=c1c2cc3ccccc3c3c2c2c1cccc2cc3,1
-kazius_116374-64-2,COC(=O)c1ccc(c2c1nc1ccccc1c2NCCCN(C)C)[N+](=O)[O-],1
-kazius_122551-89-7,ClC(C1=C(Cl)C(=O)OC1)Cl,1
-kazius_97629-28-2,Nc1cc([N+](=O)[O-])c(c(c1C)C)N,1
-kazius_129134-96-9,C[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C1CCCC1,1
-kazius_619-15-8,[O-][N+](=O)c1ccc(c(c1)C)[N+](=O)[O-],1
-kazius_98033-25-1,Oc1ccc2c(c1)c1c(cc2)ccc2c1nc(n2C)C,1
-kazius_67-64-1,CC(=O)C,0
-kazius_115459-65-9,O=C(c1ccc(cc1)[N+](=O)[O-])OC[C@@H]1OC1,1
-kazius_92-93-3,[O-][N+](=O)c1ccc(cc1)c1ccccc1,1
-kazius_2687-25-4,Nc1c(C)cccc1N,1
-kazius_106-43-4,Cc1ccc(cc1)Cl,0
-kazius_10213-75-9,CCCC[C@H](COCCC#N)CC,0
-kazius_75321-20-9,[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1ccc1c3c(cc2)ccc1,1
-kazius_117-39-5,Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O,1
-kazius_75776-00-0,CNc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,1
-kazius_1072-83-9,CC(=O)c1ccc[nH]1,1
-kazius_141511-31-1,[O-][N+](=O)c1ccc2c(c1)ccc1c2cc2ccc3c(c2c1)cccc3,1
-kazius_19473-49-5,OC(=O)CC[C@@H](C(=O)O)N.[K+],0
-kazius_146795-36-0,Fc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],1
-kazius_5410-97-9,[O-][N+](=O)c1ccc2c(c1)oc1c2cccc1,1
-kazius_104-83-6,ClCc1ccc(cc1)Cl,0
-kazius_135-73-9,BrCC(=O)c1ccc(cc1)c1ccccc1,1
-kazius_541-59-3,O=C1C=CC(=O)N1,1
-kazius_2832-40-8,CC(=O)Nc1ccc(cc1)/N=N/c1cc(C)ccc1O,1
-kazius_35282-68-9,OCc1ccccc1/N=N/c1ccc(cc1)N(C)C,1
-kazius_6271-79-0,[O-][N+](=O)c1cc(ccc1N)c1ccc(c(c1)[N+](=O)[O-])N,1
-kazius_329-65-7,CNC[C@@H](c1ccc(c(c1)O)O)O,0
-kazius_118-55-8,O=C(c1ccccc1O)Oc1ccccc1,0
-kazius_920-37-6,ClC(=C)C#N,0
-kazius_22996-17-4,OCc1ccc(cc1[N+](=O)[O-])N,1
-kazius_55691-69-5,[O-][N+](=O)c1ccc2-c3c(-c4c2c1c(cc4)[N+](=O)[O-])cccc3,1
-kazius_484-47-9,c1ccc(cc1)c1nc(c([nH]1)c1ccccc1)c1ccccc1,1
-kazius_1609-47-8,CCOC(=O)OC(=O)OCC,0
-kazius_1068-57-1,CC(=O)NN,1
-kazius_78-96-6,C[C@H](CN)O,1
-kazius_97-84-7,CN(CC[C@@H](N(C)C)C)C,0
-kazius_527-17-3,CC1=C(C)C(=O)C(=C(C1=O)C)C,0
-kazius_1025-15-6,C=CCn1c(=O)n(CC=C)c(=O)n(c1=O)CC=C,0
-kazius_98601-00-4,O[C@@H]1C=Cc2c([C@H]1O)cc1c(c2)c2ccccc2cc1C,1
-kazius_6052-68-2,OC(=O)[C@@H]1NCc2c(C1)c1ccccc1[nH]2,0
-kazius_67730-10-3,Nc1ccc2c(n1)n1ccccc1n2,1
-kazius_78468-34-5,OCc1ccc(cc1N)[N+](=O)[O-],1
-kazius_42286-46-4,O=c1c2cc3ccccc3c3c2c2c(c1=O)cccc2cc3,1
-kazius_2945-96-2,COc1cc(/N=N/c2ccc(cc2)N)c(cc1/N=N/c1c(O)c2cc(N)ccc2cc1S(=O)(=O)O)C.[Na+],1
-kazius_110-58-7,CCCCCN,0
-kazius_2479-46-1,Nc1ccc(cc1)Oc1cccc(c1)Oc1ccc(cc1)N,1
-kazius_191-26-4,c1cc2ccc3c4c2c(c1)cc1c4c2c(c3)cccc2cc1,1
-kazius_103393-71-1,ClCc1cccc2-c3c4c(-c12)cccc4ccc3,1
-kazius_78-11-5,[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-],0
-kazius_551-92-8,[O-][N+](=O)c1cnc(n1C)C,1
-kazius_89459-43-8,CN(CCNC(=O)c1cccc2c1nc1ccccc1c2N)C,1
-kazius_89213-87-6,CSCC[C@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CC(=O)O)CCCNC(=N)N)[C@H](CC)C)C)CCC(=O)N)CO)CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)CCCNC(=N)N)Cc1ccccc1)CO)CC(=O)N)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CO)N)CC(C)C)CCCNC(=N)N)CCCNC(=N)N)CO)CO,0
-kazius_74494-65-8,COc1cc(O)c2c(c1OC)oc1c(c2=O)c(OC)cc2c1[C@@H]1CCO[C@H]1O2,0
-kazius_67274-52-6,CC(=O)N(c1ccc(cc1)[N+](=O)[O-])O,1
-kazius_118-91-2,OC(=O)c1ccccc1Cl,0
-kazius_108-94-1,O=C1CCCCC1,0
-kazius_61477-96-1,CCN1CCN(C(=O)C1=O)C(=O)N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@H]1SC([C@@H]2C(=O)O)(C)C)c1ccccc1,0
-kazius_105467-77-4,C1CCc2c(C1)ccc1c2cc2c(n1)ccc1c2cccc1,1
-kazius_2150-54-1,Cc1cc(ccc1/N=N/c1c(O)c2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)/N=N/c1c(O)c2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0
-kazius_613-50-3,[O-][N+](=O)c1ccc2c(c1)cccn2,1
-kazius_2426-07-5,C(C[C@@H]1OC1)CC[C@@H]1OC1,1
-kazius_1330-78-5,Cc1ccc(cc1)OP(=O)(Oc1cccc(c1)C)Oc1cccc(c1)C,0
-kazius_83-72-7,O=C1C=C(O)C(=O)c2c1cccc2,1
-kazius_64808-48-6,Clc1ccc(c(c1)Nc1ccccc1C(=O)O)C(=O)O.[Na+].[Na+],0
-kazius_628-02-4,CCCCCC(=O)N,0
-kazius_7381-01-3,CCCCCCCCCCCC(=O)OCCS(=O)(=O)O.[Na+],0
-kazius_97-18-7,Clc1cc(Sc2cc(Cl)cc(c2O)Cl)c(c(c1)Cl)O,0
-kazius_1163-05-9,[O-][n+]1c2ccc3c(c2cc2c1ccc1c2cccc1)cccc3,0
-kazius_115609-71-7,Cc1cnc2c(n1)c(C)cc1c2nc(n1C)N,1
-kazius_56-57-5,[O-][N+](=O)c1cc[n+](c2c1cccc2)[O-],1
-kazius_93673-37-1,O[C@H]1C=Cc2c([C@@H]1O)ccc1c2cc2cccc3c2c1C=C3,1
-kazius_5131-58-8,Nc1ccc(c(c1)N)[N+](=O)[O-],1
-kazius_116-29-0,Clc1ccc(cc1)S(=O)(=O)c1cc(Cl)c(cc1Cl)Cl,0
-kazius_7040-57-5,C[C@@H](C(C)(C)C)O[P@@](=O)(Cl)C,0
-kazius_101-77-9,Nc1ccc(cc1)Cc1ccc(cc1)N,1
-kazius_24096-53-5,O=C1CCC(=O)N1c1cc(Cl)cc(c1)Cl,0
-kazius_1477-55-0,NCc1cccc(c1)CN,0
-kazius_40180-04-9,OC(=O)COc1ccc(c(c1Cl)Cl)C(=O)c1cccs1,0
-kazius_59-33-6,OC(=O)/C=C\C(=O)O.COc1ccc(cc1)CN(c1ccccn1)CCN(C)C,0
-kazius_139953-76-7,Oc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,1
-kazius_75411-83-5,CN(N=O)C[C@H](O)C,1
-kazius_526-73-8,Cc1c(C)cccc1C,1
-kazius_100-97-0,C1N2CN3CN1CN(C2)C3,1
-kazius_3074-00-8,O=C1c2cccc3c2c2c4c1cccc4ccc2cc3,0
-kazius_109-08-0,Cc1cnccn1,0
-kazius_13552-21-1,CC[C@@H](CN)O,0
-kazius_125-46-2,CC(=O)[C@@H]1C(=O)C=C2[C@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O,0
-kazius_141-84-4,O=C1CSC(=S)N1,0
-kazius_396-31-6,Fc1cnc2c(c1)cccc2,0
-kazius_520-36-5,Oc1ccc(cc1)c1cc(=O)c2c(o1)cc(cc2O)O,0
-kazius_25212-88-8,CCOC(=O)[C@@H](C[C@](C(=O)O)(C[C@H](C(=O)OCC)C[C@@](C(=O)O)(CC)C)C)C[C@](C(=O)O)(C[C@@H](C(=O)OCC)C)C,1
-kazius_113698-23-0,O=C1C(=CC(=O)c2c1nc(C)c1c2[nH]c2c1cccc2)N1CC1,1
-kazius_79-46-9,CC([N+](=O)[O-])C,1
-kazius_149-91-7,OC(=O)c1cc(O)c(c(c1)O)O,0
-kazius_335-76-2,OC(=O)C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,0
-kazius_112022-05-6,CN(CCNC(=O)c1cccc2c1cc1ccccc1c2)C,1
-kazius_2177-18-6,C=COC(=O)C=C,0
-kazius_31647-36-6,Cc1cc2cccc3c2c2c1cc1ccccc1c2cc3,1
-kazius_41069-00-5,O=C(c1ccc(cc1)[N+](=O)[O-])[C@H]1O[C@@H]1c1ccccc1,1
-kazius_13674-84-5,ClC[C@H](OP(=O)(O[C@@H](CCl)C)O[C@@H](CCl)C)C,0
-kazius_465-29-2,O=C1C(=O)[C@]2(C([C@@H]1CC2)(C)C)C,0
-kazius_24554-26-5,O=CNc1scc(n1)c1ccc(o1)[N+](=O)[O-],1
-kazius_484-17-3,Oc1cc2ccccc2c2c1cccc2,1
-kazius_540-49-8,Br/C=C/Br,1
-kazius_115767-74-3,CC/C(=C(\c1ccc(cc1)OP(=O)(O)O)/c1ccc(cc1)OCCN(C)C)/c1ccc(cc1)C(C)C,0
-kazius_57609-64-0,O=C(c1ccc(cc1)N)OCCCOC(=O)c1ccc(cc1)N,0
-kazius_119525-97-2,CCC/C=C/C(=O)O[C@@H]1C(C)(C)C[C@@H]2[C@]1(O)C=C(C=O)[C@@]13[C@@]2(C1)C(=O)O[C@@H]3O,1
-kazius_97-54-1,C/C=C/c1ccc(c(c1)OC)O,0
-kazius_2752-54-7,CC(C[C@@H](C(=O)O)NC(=O)COc1ccc(cc1Cl)Cl)C,0
-kazius_71721-78-3,Clc1cc2Oc3cc(ccc3Oc2cc1Cl)[N+](=O)[O-],1
-kazius_136587-13-8,NCCCNCCCCN(N(N=O)O)CCCN,1
-kazius_51-36-5,OC(=O)c1cc(Cl)cc(c1)Cl,0
-kazius_123-86-4,CCCCOC(=O)C,0
-kazius_39834-38-3,Cc1c2[C@H]3O[C@H]3c3c(-c2c(c2c1cccc2)C)cccc3,1
-kazius_91-17-8,C1CC[C@@H]2[C@@H](C1)CCCC2,0
-kazius_100-12-9,CCc1ccc(cc1)[N+](=O)[O-],0
-kazius_87-83-2,Brc1c(C)c(Br)c(c(c1Br)Br)Br,0
-kazius_114899-77-3,COc1cc2c(cc1O)CCN[C@@]12CSC2c3c(OC(=O)C)c(C)c4c(c3[C@H](COC1=O)N1[C@@H]2[C@@H]2N([C@H]([C@@H]1O)Cc1c2c(O)c(c(c1)C)OC)C)OCO4,1
-kazius_16311-38-9,[O-][N+](=O)c1c(nc2n1ccs2)c1ccc(cc1)[N+](=O)[O-],1
-kazius_56-93-9,C[N+](Cc1ccccc1)(C)C.Cl,0
-kazius_7239-21-6,CN(/N=N/c1ccc(cc1)Br)C,1
-kazius_5397-37-5,[O-][N+](=O)c1ccc2c(-c3ccccc3C2)c1,1
-kazius_772-43-0,[O-][N+](=O)c1ccc(o1)/C(=N\O)/N,1
-kazius_85-02-9,c1ccc2c(c1)ccc1c2cccn1,1
-kazius_31438-22-9,[O-][N+](=O)c1cccc2c1[nH]c1c2cccc1,1
-kazius_578-66-5,Nc1cccc2c1nccc2,1
-kazius_75-05-8,CC#N,0
-kazius_1064-48-8,[O-][N+](=O)c1ccc(cc1)/N=N/c1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)/N=N/c1ccccc1)S(=O)(=O)O,1
-kazius_121-54-0,CC(CC(c1ccc(cc1)OCCOCC[N+](Cc1ccccc1)(C)C)(C)C)(C)C,0
-kazius_122-19-0,CCCCCCCCCCCCCCCCCC[N+](Cc1ccccc1)(C)C,0
-kazius_1239-45-8,CC[n+]1c(c2ccccc2)c2cc(N)ccc2c2c1cc(N)cc2,1
-kazius_124-64-1,OCP(CO)(CO)CO,0
-kazius_126-92-1,CCCC[C@H](COS(=O)(=O)O)CC,0
-kazius_135-20-6,O=NN(c1ccccc1)O,1
-kazius_135-49-9,Nc1cc2nc3cc(N)c(cc3cc2cc1C)C,1
-kazius_137-09-7,Nc1ccc(c(c1)N)O,1
-kazius_146-56-5,OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F,0
-kazius_15826-37-6,OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O,0
-kazius_1684-40-8,Nc1c2CCCCc2nc2c1cccc2,1
-kazius_1934-20-9,Oc1ccc2c(c1/N=N/c1ccccc1)ccc(c2)S(=O)(=O)O,0
-kazius_1936-15-8,Oc1ccc2c(c1/N=N/c1ccccc1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,0
-kazius_1937-37-7,Nc1ccc(c(c1)N)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)/N=N/c1ccccc1)S(=O)(=O)O,1
-kazius_2045-52-5,CN(CCN(c1ccccc1)Cc1ccccc1)C,0
-kazius_2216-51-5,C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)C,0
-kazius_2390-59-2,CC[N+](=C1C=CC(=C(c2ccc(cc2)N(CC)CC)c2ccc(cc2)N(CC)CC)C=C1)CC,1
-kazius_2429-73-4,Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,1
-kazius_2429-82-5,Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)O,1
-kazius_2465-27-2,CN(c1ccc(cc1)C(=N)c1ccc(cc1)N(C)C)C,1
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diff --git a/data/kazius.id b/data/kazius.id
index 9b5f185..7d77fed 100644
--- a/data/kazius.id
+++ b/data/kazius.id
@@ -1 +1 @@
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+5be05cc6ca62690ccff8a630
diff --git a/data/mutagenicity-merged.csv b/data/mutagenicity-merged.csv
deleted file mode 100644
index 20ce08c..0000000
--- a/data/mutagenicity-merged.csv
+++ /dev/null
@@ -1,8306 +0,0 @@
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diff --git a/data/mutagenicity-merged.id b/data/mutagenicity-merged.id
index abe9002..91c4f9b 100644
--- a/data/mutagenicity-merged.id
+++ b/data/mutagenicity-merged.id
@@ -1 +1 @@
-5bba44beca62690a261f82b5
+5be05e62ca62690edac97be6
diff --git a/experiments/pa_carcinogenicity_prediction.json b/experiments/pa_carcinogenicity_prediction.json
deleted file mode 100644
index 5d8d36e..0000000
--- a/experiments/pa_carcinogenicity_prediction.json
+++ /dev/null
@@ -1 +0,0 @@
-{"1":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"2":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"4":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"5":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental 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0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"93":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"94":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"95":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training 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0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"116":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"117":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"118":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training 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0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"123":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"125":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"126":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"127":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"128":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"129":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"131":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"132":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"133":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"134":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"135":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"136":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"137":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"138":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"139":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"140":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"141":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"142":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"143":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"144":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"145":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"146":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"147":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"148":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"149":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"150":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"151":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"152":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"153":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"154":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"155":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"157":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"158":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"159":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"160":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"161":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"162":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"163":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"164":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"165":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"166":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"167":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"168":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"169":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"170":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"171":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"172":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"173":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"174":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"175":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"176":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"177":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"178":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"179":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"180":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"181":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"182":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"183":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"184":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"185":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"186":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"187":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"188":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"189":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"190":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"191":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"192":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"193":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"194":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"195":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"196":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"197":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"198":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"199":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"200":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"201":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"202":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"203":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"204":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"205":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"206":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"207":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"208":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"209":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"210":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"211":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"212":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"213":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"214":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"215":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"216":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"217":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"218":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"219":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"220":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"222":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"225":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"226":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"227":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"228":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"229":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training 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0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"234":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"235":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"236":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training 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0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"241":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"242":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"243":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"244":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"245":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"246":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"247":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"248":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"249":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"250":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"251":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"252":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"253":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"254":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"255":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"256":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"257":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"258":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"259":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"260":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"261":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"262":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"263":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"264":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"265":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"266":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"267":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"268":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"269":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"270":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"271":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"272":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"273":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"274":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"275":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"276":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"277":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"278":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"279":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"280":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"281":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"282":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"283":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"284":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"285":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"286":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"287":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"288":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"289":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"290":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"291":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"292":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"293":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"294":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"295":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"296":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"297":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"298":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"299":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"300":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"301":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"302":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"303":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"304":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"305":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"306":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"307":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"308":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"309":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"311":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"312":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"313":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"314":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"315":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"316":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"317":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"318":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"319":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"320":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"321":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"322":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"323":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"324":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"325":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"326":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"327":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"328":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"329":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"330":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"331":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"332":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"333":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"334":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"335":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"336":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"337":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"338":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"339":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"340":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"342":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"343":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"344":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"345":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"346":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"347":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"348":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"349":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"350":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"351":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"352":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"353":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"354":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"355":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"356":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"357":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"358":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"359":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"360":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"361":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"362":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"363":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"365":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"366":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"367":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"368":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"369":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"370":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"371":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"372":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"373":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"374":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"375":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"376":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"377":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"378":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"379":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"380":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"382":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"383":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"384":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"385":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"386":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"387":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"388":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"389":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"390":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"392":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"395":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"396":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"397":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"398":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"399":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"400":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"401":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"402":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"403":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"404":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"405":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"406":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"407":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"408":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"409":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"411":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"412":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"413":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"414":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"416":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"417":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"418":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"419":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"420":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"421":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"422":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"426":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"427":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"428":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"429":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"430":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"431":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"432":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"433":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"434":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"435":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"436":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"437":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"438":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"439":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"440":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"441":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"442":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"443":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"444":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"445":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"446":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"447":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"448":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"449":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"450":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"451":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"452":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"454":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"455":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Cannot create prediction: Only one similar compound in the training set."],"measurements":[],"value":null,"neighbors":[{"id":"5b7ecbcaca626917a0cc82f3","similarity":0.2647058823529412}],"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"456":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"457":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"458":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"459":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"460":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"461":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"463":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"464":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"465":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"466":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"467":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"468":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"469":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"470":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"472":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"473":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"475":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"476":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"477":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"478":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"479":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"480":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"481":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"482":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"483":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"484":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"485":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"486":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"487":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"489":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"490":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"492":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"493":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"494":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"495":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"496":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"497":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"498":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"499":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"500":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"501":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"502":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"503":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"504":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"505":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"506":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"507":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"508":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"509":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"510":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"511":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"512":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"513":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"514":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"515":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain.","Could not find similar substances with experimental data in the training dataset."],"measurements":[],"value":null,"prediction_feature_id":{"$oid":"5b7ecbc4ca626917a0cc81bd"}},"517":{"warnings":["Similarity threshold 0.2 \u003c 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diff --git a/experiments/pa_mutagenicity_prediction.json b/experiments/pa_mutagenicity_prediction.json
deleted file mode 100644
index 6ccf7c2..0000000
--- a/experiments/pa_mutagenicity_prediction.json
+++ /dev/null
@@ -1 +0,0 @@
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domain."],"measurements":[],"value":"0","probabilities":{"1":0.14705882352941177,"0":0.3529411764705882},"neighbors":[{"id":"5b69c3f9ca626937a2c1a4c8","measurement":"1","similarity":0.20833333333333334},{"id":"5b69c3eaca626937a2c19ec2","measurement":"0","similarity":0.5}],"prediction_feature_id":{"$oid":"5b6b1ef1ca6269068e0ba835"}},"598":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain."],"measurements":[],"value":"0","probabilities":{"0":0.3578347578347578,"1":0.10370370370370371},"neighbors":[{"id":"5b69c3eaca626937a2c19ec2","measurement":"0","similarity":0.46153846153846156},{"id":"5b69c472ca626937f4d0e079","measurement":"1","similarity":0.2},{"id":"5b69c3d8ca626937a2c19443","measurement":"0","similarity":0.22857142857142856}],"prediction_feature_id":{"$oid":"5b6b1ef1ca6269068e0ba835"}},"599":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain."],"measurements":[],"value":"0","probabilities":{"0":0.31315514013986895,"1":0.13128930430457542},"neighbors":[{"id":"5b69c3daca626937a2c195a5","measurement":"0","similarity":0.25806451612903225},{"id":"5b69c3faca626937a2c1a51d","measurement":"0","similarity":0.2777777777777778},{"id":"5b69c472ca626937f4d0e07e","measurement":"1","similarity":0.23076923076923078},{"id":"5b6b1ef3ca6269068e0ba85a","measurement":"0","similarity":0.2777777777777778},{"id":"5b69c3deca626937a2c19891","measurement":"1","similarity":0.23684210526315788},{"id":"5b69c3d7ca626937a2c1937c","measurement":"0","similarity":0.2},{"id":"5b69c3f6ca626937a2c1a3d7","measurement":"0","similarity":0.21052631578947367},{"id":"5b69c3eaca626937a2c19ec2","measurement":"0","similarity":0.4444444444444444},{"id":"5b69c3e9ca626937a2c19e6c","measurement":"0","similarity":0.2},{"id":"5b69c3f7ca626937a2c1a42e","measurement":"1","similarity":0.3157894736842105}],"prediction_feature_id":{"$oid":"5b6b1ef1ca6269068e0ba835"}},"600":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain."],"measurements":[],"value":"0","probabilities":{"1":0.0719097859049556,"0":0.4280902140950444},"neighbors":[{"id":"5b69c3f9ca626937a2c1a4c8","measurement":"1","similarity":0.2608695652173913},{"id":"5b69c3eaca626937a2c19ec2","measurement":"0","similarity":0.5},{"id":"5b69c3f9ca626937a2c1a4eb","measurement":"0","similarity":0.2},{"id":"5b69c3ddca626937a2c197cb","measurement":"0","similarity":0.21739130434782608},{"id":"5b69c3f5ca626937a2c1a32d","measurement":"0","similarity":0.22727272727272727},{"id":"5b69c3e4ca626937a2c19bc6","measurement":"0","similarity":0.20833333333333334},{"id":"5b69c474ca626937f4d0e133","measurement":"0","similarity":0.2}],"prediction_feature_id":{"$oid":"5b6b1ef1ca6269068e0ba835"}},"601":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain."],"measurements":[],"value":"0","probabilities":{"1":0.1238807562837713,"0":0.12611924371622865},"neighbors":[{"id":"5b69c3e7ca626937a2c19d5c","measurement":"1","similarity":0.23529411764705882},{"id":"5b69c3d7ca626937a2c19383","measurement":"1","similarity":0.21052631578947367},{"id":"5b69c3e4ca626937a2c19b82","measurement":"0","similarity":0.2222222222222222},{"id":"5b69c3fdca626937a2c1a623","measurement":"0","similarity":0.2222222222222222},{"id":"5b69c470ca626937f4d0dfe0","measurement":"0","similarity":0.25},{"id":"5b69c3e9ca626937a2c19e6f","measurement":"1","similarity":0.21052631578947367},{"id":"5b69c3dfca626937a2c198bd","measurement":"0","similarity":0.2},{"id":"5b69c3e1ca626937a2c199ec","measurement":"1","similarity":0.2222222222222222}],"prediction_feature_id":{"$oid":"5b6b1ef1ca6269068e0ba835"}},"602":{"warnings":["Similarity threshold 0.2 \u003c 0.5, prediction may be out of applicability domain."],"measurements":[],"value":"0","probabilities":{"0":0.21922215622964272,"1":0.0400371030296165},"neighbors":[{"id":"5b69c3daca626937a2c195a5","measurement":"0","similarity":0.25925925925925924},{"id":"5b69c3eaca626937a2c19ec2","measurement":"0","similarity":0.25925925925925924},{"id":"5b69c3f1ca626937a2c1a18f","measurement":"0","similarity":0.23809523809523808},{"id":"5b69c3ddca626937a2c19755","measurement":"0","similarity":0.22727272727272727},{"id":"5b69c3f7ca626937a2c1a42e","measurement":"1","similarity":0.21621621621621623},{"id":"5b69c3deca626937a2c19800","measurement":"0","similarity":0.2}],"prediction_feature_id":{"$oid":"5b6b1ef1ca6269068e0ba835"}}}
diff --git a/experiments/weighted_majority_kazius_sim0.1.id b/experiments/weighted_majority_kazius_sim0.1.id
deleted file mode 100644
index 449b142..0000000
--- a/experiments/weighted_majority_kazius_sim0.1.id
+++ /dev/null
@@ -1 +0,0 @@
-5b6c8a6dca6269081b285b41
diff --git a/experiments/weighted_majority_kazius_sim0.5.id b/experiments/weighted_majority_kazius_sim0.5.id
deleted file mode 100644
index dd23289..0000000
--- a/experiments/weighted_majority_kazius_sim0.5.id
+++ /dev/null
@@ -1 +0,0 @@
-5b7302c4ca6269031da8f9f7
diff --git a/experiments/weighted_majority_merged_sim0.1.id b/experiments/weighted_majority_merged_sim0.1.id
deleted file mode 100644
index 6e09c92..0000000
--- a/experiments/weighted_majority_merged_sim0.1.id
+++ /dev/null
@@ -1 +0,0 @@
-5b6c55beca626902ea7561ee
diff --git a/experiments/weighted_majority_merged_sim0.5.id b/experiments/weighted_majority_merged_sim0.5.id
deleted file mode 100644
index ca5620c..0000000
--- a/experiments/weighted_majority_merged_sim0.5.id
+++ /dev/null
@@ -1 +0,0 @@
-5b72eee2ca626901d3189be7
diff --git a/models/mutagenicity-merged.id b/models/mutagenicity-merged.id
index 376b734..e69de29 100644
--- a/models/mutagenicity-merged.id
+++ b/models/mutagenicity-merged.id
@@ -1 +0,0 @@
-5bba45aaca62690b2d245679
diff --git a/predictions/PA_mutagenicity.id b/predictions/PA_mutagenicity.id
deleted file mode 100644
index e69de29..0000000
--- a/predictions/PA_mutagenicity.id
+++ /dev/null
diff --git a/scripts/crossvalidation-summary.rb b/scripts/crossvalidation-summary.rb
new file mode 100755
index 0000000..13b0dfa
--- /dev/null
+++ b/scripts/crossvalidation-summary.rb
@@ -0,0 +1,9 @@
+#!/usr/bin/env ruby
+require_relative '../../lazar/lib/lazar'
+include OpenTox
+
+summary = [] 
+model = Model::Validation.find(File.read(ARGV[0]).chomp).crossvalidations.each do |cv|
+  summary << cv.statistics
+end
+puts JSON.pretty_generate(summary)
diff --git a/scripts/drop-database.rb b/scripts/drop-database.rb
new file mode 100755
index 0000000..e263312
--- /dev/null
+++ b/scripts/drop-database.rb
@@ -0,0 +1,5 @@
+#!/usr/bin/env ruby
+require_relative '../../lazar/lib/lazar'
+$mongo.database.drop
+$gridfs = $mongo.database.fs # recreate GridFS indexes
+
diff --git a/scripts/efsa2csv.rb b/scripts/efsa2csv.rb
new file mode 100755
index 0000000..5251cae
--- /dev/null
+++ b/scripts/efsa2csv.rb
@@ -0,0 +1,29 @@
+#!/usr/bin/env ruby
+require 'csv'
+require_relative '../../lazar/lib/lazar.rb'
+
+i = 0
+db = {}
+CSV.foreach(ARGV[0], :encoding => "UTF-8", :col_sep => "\t", :liberal_parsing => true) do |row|
+  #STDERR.puts i if i%100 == 0
+  if i > 0 and row[11] and !row[11].empty? and row[24].match(/Salmonella/i) and ( row[25].match("TA 98") or row[25].match("TA 100") ) and row[33]
+    begin
+      c = OpenTox::Compound.from_smiles(row[11].gsub('"','')).smiles
+    rescue
+      c = OpenTox::Compound.from_inchi(row[12]).smiles # some smiles (row[11]) contain non-parseable characters
+    end
+    db[c] ||= {}
+    db[c][:id] ||= row[2]
+    if row[33].match(/Positiv/i)
+      db[c][:value] = 1 # at least one positive result in TA 98 or TA 100
+    elsif row[33].match(/Negativ/i)
+      db[c][:value] ||= 0
+    end
+  end
+  i += 1
+end
+
+puts "ID,SMILES,Mutagenicity"
+db.each do |s,v|
+  puts [v[:id],s,v[:value]].join ","
+end
diff --git a/scripts/export.rb b/scripts/export.rb
new file mode 100755
index 0000000..afcb51d
--- /dev/null
+++ b/scripts/export.rb
@@ -0,0 +1,7 @@
+#!/usr/bin/env ruby
+require_relative '../../lazar/lib/lazar'
+include OpenTox
+
+ext = File.extname(ARGV[0]).sub('.','')
+dataset = Dataset.find File.read(ARGV[0]).chomp
+dataset.send("to_#{ext}")
diff --git a/scripts/hansen2csv.rb b/scripts/hansen2csv.rb
new file mode 100755
index 0000000..3ae22ee
--- /dev/null
+++ b/scripts/hansen2csv.rb
@@ -0,0 +1,10 @@
+#!/usr/bin/env ruby
+require 'csv'
+require_relative '../../lazar/lib/lazar.rb'
+
+puts "ID,SMILES,Mutagenicity"
+i = 0
+CSV.foreach(ARGV[0]) do |row|
+  puts [row[0],row[5],row[2]].join "," if i > 0
+  i += 1
+end
diff --git a/scripts/import-pubchem.rb b/scripts/import-pubchem.rb
new file mode 100755
index 0000000..c18bc81
--- /dev/null
+++ b/scripts/import-pubchem.rb
@@ -0,0 +1,8 @@
+#!/usr/bin/env ruby
+require_relative '../../lazar/lib/lazar'
+include OpenTox
+
+dataset = Dataset.send("from_pubchem_aid", ARGV[0])
+puts dataset.id.to_s
+
+
diff --git a/scripts/import.rb b/scripts/import.rb
new file mode 100755
index 0000000..f166265
--- /dev/null
+++ b/scripts/import.rb
@@ -0,0 +1,7 @@
+#!/usr/bin/env ruby
+require_relative '../../lazar/lib/lazar'
+include OpenTox
+
+ext = File.extname(ARGV[0]).sub('.','')
+dataset = Dataset.send("from_#{ext}_file", ARGV[0])
+puts dataset.id.to_s
diff --git a/scripts/json2csv.rb b/scripts/json2csv.rb
new file mode 100755
index 0000000..7c61c5a
--- /dev/null
+++ b/scripts/json2csv.rb
@@ -0,0 +1,28 @@
+#!/usr/bin/env ruby
+require_relative '../../lazar/lib/lazar'
+include OpenTox
+
+results = JSON.parse File.read(ARGV[0])
+puts "SMILES,#{File.basename(ARGV[0]).sub("pa_","").capitalize},Probability(0),Probability(1),Nr Neighbors,Warnings"
+results.each do |s,r|
+	if r["value"]
+		puts [
+			s,
+			r["value"],
+			r["probabilities"]["0"],
+			r["probabilities"]["1"],
+			r["neighbors"].size,
+			r["warnings"],
+		].join(",")
+	else
+		r["neighbors"] ? n = r["neighbors"].size : n = nil
+		puts [
+			s,
+			r["value"],
+			nil,
+			nil,
+			n,
+			r["warnings"],
+		].join(",")
+	end
+end
diff --git a/scripts/merge.rb b/scripts/merge.rb
new file mode 100755
index 0000000..5e9dac4
--- /dev/null
+++ b/scripts/merge.rb
@@ -0,0 +1,11 @@
+#!/usr/bin/env ruby
+require_relative '../../lazar/lib/lazar.rb'
+include OpenTox
+
+hansen = Dataset.find File.read(ARGV[0]).chomp
+efsa = Dataset.find File.read(ARGV[1]).chomp
+kazius = Dataset.find File.read(ARGV[2]).chomp
+datasets = [hansen,efsa,kazius]
+map = {"mutagen" => "1", "nonmutagen" => "0"}
+dataset = Dataset.merge datasets: datasets, features: datasets.collect{|d| d.bioactivity_features.first}, value_maps: [nil,nil,map], keep_original_features: true, remove_duplicates: true
+puts dataset.id
diff --git a/scripts/model.rb b/scripts/model.rb
new file mode 100755
index 0000000..b86d33d
--- /dev/null
+++ b/scripts/model.rb
@@ -0,0 +1,7 @@
+#!/usr/bin/env ruby
+require_relative '../../lazar/lib/lazar'
+include OpenTox
+
+dataset = Dataset.find File.read(ARGV[0]).chomp
+model_validation = Model::Validation.from_dataset training_dataset: dataset, prediction_feature: dataset.merged_features.first, species: "Salmonella typhimurium", endpoint: "Mutagenicity", repeats: 3
+puts model_validation.id.to_s
diff --git a/scripts/predict.rb b/scripts/predict.rb
index 9161f45..57d5a8b 100755
--- a/scripts/predict.rb
+++ b/scripts/predict.rb
@@ -2,23 +2,7 @@
 require_relative '../../lazar/lib/lazar'
 include OpenTox
 
-train = Dataset.from_csv_file ARGV[0]
-
-model = Model::LazarClassification.create(training_dataset: train)
-
-n = 0
-results = {}
-File.open(ARGV[1]).each_line do |l|
-  unless n == 0
-    id,smi = l.chomp.split ","
-    c = Compound.from_smiles smi
-    result = model.predict c
-    results[id] = result
-  end
-  n += 1
-end
-
-puts results.to_json
-  #puts result.inspect
-  #rcv = Validation::RepeatedCrossValidation.create(model)
-#puts "#{rcv.id}"
+dataset = Dataset.find(File.read(ARGV[0]).chomp)
+model = Model::Validation.find(File.read(ARGV[1]).chomp)
+predictions = model.predict dataset.compounds # avoid dataset prediction to keep neighbors
+puts predictions.to_json
diff --git a/scripts/repeated_crossvalidation_summary.rb b/scripts/repeated_crossvalidation_summary.rb
index add66a2..067fea8 100755
--- a/scripts/repeated_crossvalidation_summary.rb
+++ b/scripts/repeated_crossvalidation_summary.rb
@@ -3,7 +3,13 @@ require_relative '../../lazar/lib/lazar'
 include OpenTox
 
 summary = [] 
-Validation::RepeatedCrossValidation.find(File.read(ARGV[0]).chomp).crossvalidations.each do |cv|
-  summary << cv.statistics
+#Validation::RepeatedCrossValidation.find(File.read(ARGV[0]).chomp).crossvalidations.each do |cv|
+#  summary << cv.statistics
+#end
+cv = Validation::RepeatedCrossValidation.all.last.crossvalidations.each do |cv|
+#cv = Validation::RepeatedCrossValidation.find("5bbb9151ca626916248b328b").crossvalidations.first
+p cv.id
+p cv.statistics
 end
-puts JSON.pretty_generate(summary)
+  
+#puts JSON.pretty_generate(summary)
diff --git a/summaries/pa_carcinogenicity_neighbor_sets.json b/summaries/pa_carcinogenicity_neighbor_sets.json
deleted file mode 100644
index 36cc03f..0000000
--- a/summaries/pa_carcinogenicity_neighbor_sets.json
+++ /dev/null
@@ -1 +0,0 @@
-{"nr_predictions":0,"unique_neighbor_sets":0,"unique_neighbor_sets_without_similarity":0}
diff --git a/summaries/pa_mutagenicity_neighbor_sets.json b/summaries/pa_mutagenicity_neighbor_sets.json
deleted file mode 100644
index e651f00..0000000
--- a/summaries/pa_mutagenicity_neighbor_sets.json
+++ /dev/null
@@ -1 +0,0 @@
-{"nr_predictions":514,"unique_neighbor_sets":398,"unique_neighbor_sets_without_similarity":232}
diff --git a/summaries/weighted_majority_kazius_sim0.1.json b/summaries/weighted_majority_kazius_sim0.1.json
deleted file mode 100644
index 394fd7d..0000000
--- a/summaries/weighted_majority_kazius_sim0.1.json
+++ /dev/null
@@ -1,412 +0,0 @@
-[
-  {
-    "accept_values": [
-      "1",
-      "0"
-    ],
-    "confusion_matrix": {
-      "all": [
-        [
-          2103,
-          744
-        ],
-        [
-          279,
-          1164
-        ]
-      ],
-      "without_warnings": [
-        [
-          2103,
-          744
-        ],
-        [
-          279,
-          1164
-        ]
-      ]
-    },
-    "weighted_confusion_matrix": {
-      "all": [
-        [
-          1118.5614351819836,
-          281.9148634943293
-        ],
-        [
-          83.74132826992872,
-          458.4743966079062
-        ]
-      ],
-      "without_warnings": [
-        [
-          1118.5614351819836,
-          281.9148634943293
-        ],
-        [
-          83.74132826992872,
-          458.4743966079062
-        ]
-      ]
-    },
-    "accuracy": {
-      "all": 0.7615384615384615,
-      "without_warnings": 0.7615384615384615
-    },
-    "weighted_accuracy": {
-      "all": 0.8117786106439603,
-      "without_warnings": 0.8117786106439603
-    },
-    "true_rate": {
-      "all": {
-        "1": 0.7386722866174921,
-        "0": 0.8066528066528067
-      },
-      "without_warnings": {
-        "1": 0.7386722866174921,
-        "0": 0.8066528066528067
-      }
-    },
-    "predictivity": {
-      "all": {
-        "1": 0.8828715365239295,
-        "0": 0.610062893081761
-      },
-      "without_warnings": {
-        "1": 0.8828715365239295,
-        "0": 0.610062893081761
-      }
-    },
-    "nr_instances": {
-      "all": 4290,
-      "without_warnings": 4290
-    }
-  },
-  {
-    "accept_values": [
-      "1",
-      "0"
-    ],
-    "confusion_matrix": {
-      "all": [
-        [
-          2097,
-          738
-        ],
-        [
-          286,
-          1171
-        ]
-      ],
-      "without_warnings": [
-        [
-          2097,
-          738
-        ],
-        [
-          286,
-          1171
-        ]
-      ]
-    },
-    "weighted_confusion_matrix": {
-      "all": [
-        [
-          1113.3753340178278,
-          281.5238468839037
-        ],
-        [
-          85.21911103937629,
-          458.2679415897978
-        ]
-      ],
-      "without_warnings": [
-        [
-          1113.3753340178278,
-          281.5238468839037
-        ],
-        [
-          85.21911103937629,
-          458.2679415897978
-        ]
-      ]
-    },
-    "accuracy": {
-      "all": 0.7614165890027959,
-      "without_warnings": 0.7614165890027959
-    },
-    "weighted_accuracy": {
-      "all": 0.8107998542399716,
-      "without_warnings": 0.8107998542399716
-    },
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deleted file mode 100644
index 1a4fb16..0000000
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author	Christoph Helma <helma@in-silico.ch>	2018-11-05 17:37:29 +0100
committer	Christoph Helma <helma@in-silico.ch>	2018-11-05 17:37:29 +0100
commit	2361c6d9259e7ec8eea97f9bff3b24d105b3662a (patch)
tree	c8c6a869cf0af40b03ae4bd33ae48cbe4dfd5532
parent	ba5372ce84bd89a937478d32eb067995214f1331 (diff)