diff options
author | Christoph Helma <helma@in-silico.de> | 2009-12-14 09:47:50 +0100 |
---|---|---|
committer | Christoph Helma <helma@in-silico.de> | 2009-12-14 09:47:50 +0100 |
commit | eaad529266d7208e75784202001d350201ba7da4 (patch) | |
tree | 5e009395ff93ace3aa342f4bf0fd756e23bf280b | |
parent | 45802e0a9b7ef6a918c4b7a539261bdba8217d38 (diff) |
Initial adaptation to RDF/OWL
-rw-r--r-- | features/data/hamster_carcinogenicity.rdf | 1687 | ||||
-rw-r--r-- | features/dataset.feature | 2 | ||||
-rw-r--r-- | features/fminer.feature | 2 | ||||
-rw-r--r-- | features/lazar.feature | 2 | ||||
-rw-r--r-- | features/step_definitions/common_steps.rb | 5 | ||||
-rw-r--r-- | features/step_definitions/fminer_step.rb | 1 | ||||
-rw-r--r-- | features/step_definitions/lazar_steps.rb | 8 |
7 files changed, 1526 insertions, 181 deletions
diff --git a/features/data/hamster_carcinogenicity.rdf b/features/data/hamster_carcinogenicity.rdf index 1dafcc0..bd4df02 100644 --- a/features/data/hamster_carcinogenicity.rdf +++ b/features/data/hamster_carcinogenicity.rdf @@ -1,258 +1,1605 @@ <?xml version="1.0" encoding="utf-8"?> <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#"> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/C2H4O/c1-2-3/h2H,1H3"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">true</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:about="http://purl.org/dc/elements/1.1/source"> + <rdf:type rdf:resource="http://www.w3.org/2002/07/owl#AnnotationProperty"/> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/C15H13NO/c1-10(17)16-13-6-7-15-12(9-13)8-11-4-2-3-5-14(11)15/h2-7,9H,8H2,1H3,(H,16,17)"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">true</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:about="http://purl.org/dc/elements/1.1/identifier"> + <rdf:type rdf:resource="http://www.w3.org/2002/07/owl#AnnotationProperty"/> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/C11H8N2O5/c12-11(14)8(9-2-1-5-17-9)6-7-3-4-10(18-7)13(15)16/h1-6H,(H2,12,14)"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">true</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:about="http://purl.org/dc/elements/1.1/title"> + <rdf:type rdf:resource="http://www.w3.org/2002/07/owl#AnnotationProperty"/> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">false</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:about="http://www.opentox.org/api/1.1#feature"> + <rdf:type rdf:resource="http://www.w3.org/2002/07/owl#ObjectProperty"/> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/BrHO3.K/c2-1(3)4;/h(H,2,3,4);/q;+1/p-1"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">true</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:about="http://www.opentox.org/api/1.1#compound"> + <rdf:type rdf:resource="http://www.w3.org/2002/07/owl#ObjectProperty"/> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/Cd.2ClH/h;2*1H/q+2;;/p-2"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">false</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:about="http://www.opentox.org/api/1.1#values"> + <rdf:type rdf:resource="http://www.w3.org/2002/07/owl#ObjectProperty"/> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/Cd.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">false</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:about="http://www.opentox.org/api/1.1#value"> + <rdf:type rdf:resource="http://www.w3.org/2002/07/owl#DatatypeProperty"/> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">false</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:about="http://www.opentox.org/api/1.1#Dataset"> + <rdf:type rdf:resource="http://www.w3.org/2002/07/owl#Class"/> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/C2H5ClO/c1-4-2-3/h2H2,1H3"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">true</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:about="http://www.opentox.org/api/1.1#FeatureValue"> + <rdf:type rdf:resource="http://www.w3.org/2002/07/owl#Class"/> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/C4H5Cl/c1-3-4(2)5/h3H,1-2H2"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">false</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:about="http://www.opentox.org/api/1.1#Feature"> + <rdf:type rdf:resource="http://www.w3.org/2002/07/owl#Class"/> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/C17H17ClO3/c1-17(2,16(19)20)21-11-12-3-5-13(6-4-12)14-7-9-15(18)10-8-14/h3-10H,11H2,1-2H3,(H,19,20)"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">false</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:about="http://www.opentox.org/api/1.1#Compound"> + <rdf:type rdf:resource="http://www.w3.org/2002/07/owl#Class"/> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">false</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:about="http://www.opentox.org/api/1.1#DataEntry"> + <rdf:type rdf:resource="http://www.w3.org/2002/07/owl#Class"/> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/C14H8Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8H"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">true</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:nodeID="r1260270405r21791r1"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Dataset"/> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/C14H9Cl5/c15-11-5-1-9(2-6-11)13(14(17,18)19)10-3-7-12(16)8-4-10/h1-8,13H"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">false</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:nodeID="r1260270405r21791r1"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/">http://localhost:4001/53</ns0:identifier> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/C6H10N2O/c1-3-5-8(7-9)6-4-2/h3-4H,1-2,5-6H2"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">true</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:nodeID="r1260270405r21791r1"> + <ns0:title xmlns:ns0="http://purl.org/dc/elements/1.1/">Hamster Carcinogenicity</ns0:title> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/C12H8Cl6O/c13-8-9(14)11(16)5-3-1-2(6-7(3)19-6)4(5)10(8,15)12(11,17)18/h2-7H,1H2"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">false</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:nodeID="r1260270405r21791r1"> + <ns0:source xmlns:ns0="http://purl.org/dc/elements/1.1/">http://www.epa.gov/NCCT/dsstox/sdf_cpdbas.html</ns0:source> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/C3H6ClNO/c1-5(2)3(4)6/h1-2H3"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">true</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:nodeID="r1260270405r21791r2"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Feature"/> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/C2H8N2/c1-4(2)3/h3H2,1-2H3"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">true</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:nodeID="r1260270405r21791r2"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/">http://www.epa.gov/NCCT/dsstox/CentralFieldDef.html#ActivityOutcome_CPDBAS_Hamster</ns0:identifier> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/C2H8N2.2ClH/c1-3-4-2;;/h3-4H,1-2H3;2*1H"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">true</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:nodeID="r1260270405r21791r2"> + <ns0:title xmlns:ns0="http://purl.org/dc/elements/1.1/">Hamster Carcinogenicity</ns0:title> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">false</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:nodeID="r1260270405r21791r2"> + <ns0:source xmlns:ns0="http://purl.org/dc/elements/1.1/">http://www.epa.gov/NCCT/dsstox/sdf_cpdbas.html</ns0:source> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/C5H11N3O3/c1-2-8(7-11)5(10)6-3-4-9/h9H,2-4H2,1H3,(H,6,10)"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">true</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:nodeID="r1260270405r21791r3"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#FeatureValue"/> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/C6H11N3O3/c1-3-9(8-12)6(11)7-4-5(2)10/h3-4H2,1-2H3,(H,7,11)"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">true</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:nodeID="r1260270405r21791r3"> + <ns0:value xmlns:ns0="http://www.opentox.org/api/1.1#">true</ns0:value> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/CH2O/c1-2/h1H2"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">false</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:nodeID="r1260270405r21791r4"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#FeatureValue"/> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/C8H6N4O4S/c13-4-9-11-8-10-5(3-17-8)6-1-2-7(16-6)12(14)15/h1-4H,(H,9,13)(H,10,11)"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">true</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:nodeID="r1260270405r21791r4"> + <ns0:value xmlns:ns0="http://www.opentox.org/api/1.1#">false</ns0:value> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">false</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:nodeID="r1260270405r21791r5"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/C3H6O2/c4-1-3-2-5-3/h3-4H,1-2H2"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">true</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:nodeID="r1260270405r21791r5"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/C5H10N2O/c8-6-7-4-2-1-3-5-7/h1-5H2"/> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/C17H17ClO6/c1-8-5-9(19)6-12(23-4)17(8)16(20)13-10(21-2)7-11(22-3)14(18)15(13)24-17/h6-8H,5H2,1-4H3/t8-,17?/m1/s1"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">false</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:nodeID="r1260270405r21791r6"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/C6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">true</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:nodeID="r1260270405r21791r6"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r5"/> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/H4N2/c1-2/h1-2H2"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">true</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:nodeID="r1260270405r21791r6"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/H4N2.H2O4S/c1-2;1-5(2,3)4/h1-2H2;(H2,1,2,3,4)"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">true</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:nodeID="r1260270405r21791r6"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r3"/> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/C15H13NO2/c1-10(17)16(18)13-6-7-15-12(9-13)8-11-4-2-3-5-14(11)15/h2-7,9,18H,8H2,1H3"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">true</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:nodeID="r1260270405r21791r7"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/C2H8N2O/c3-4-1-2-5/h4-5H,1-3H2"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">false</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:nodeID="r1260270405r21791r7"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/Cd.2ClH/h;2*1H/q+2;;/p-2"/> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/C6H7N3O/c7-9-6(10)5-1-3-8-4-2-5/h1-4H,7H2,(H,9,10)"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">false</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:nodeID="r1260270405r21791r8"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/C6H5NO2/c8-6(9)5-1-3-7-4-2-5/h1-4H,(H,8,9)"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">false</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:nodeID="r1260270405r21791r8"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r7"/> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/C10H12ClNO2/c1-7(2)14-10(13)12-9-5-3-4-8(11)6-9/h3-7H,1-2H3,(H,12,13)"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">false</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:nodeID="r1260270405r21791r8"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/C10H13NO2/c1-8(2)13-10(12)11-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,11,12)"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">false</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:nodeID="r1260270405r21791r8"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r4"/> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/2C2H4O2.4H2O.3Pb/c2*1-2(3)4;;;;;;;/h2*1H3,(H,3,4);4*1H2;;;/q;;;;;;3*+2/p-6"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">false</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:nodeID="r1260270405r21791r9"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/C14H19N3S.ClH/c1-16(2)9-10-17(12-13-6-5-11-18-13)14-7-3-4-8-15-14;/h3-8,11H,9-10,12H2,1-2H3;1H"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">false</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:nodeID="r1260270405r21791r9"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/C6H14N2O4/c1-5(10)2-8(7-12)3-6(11)4-9/h5-6,9-11H,2-4H2,1H3"/> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">false</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:nodeID="r1260270405r21791r10"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/C2H6N2O/c1-4(3)2-5/h2H,3H2,1H3"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">true</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:nodeID="r1260270405r21791r10"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r9"/> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">false</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:nodeID="r1260270405r21791r10"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/CH6N2/c1-3-2/h3H,2H2,1H3"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">true</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:nodeID="r1260270405r21791r10"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r3"/> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/C10H13N3O2/c1-13(12-15)7-3-5-10(14)9-4-2-6-11-8-9/h2,4,6,8H,3,5,7H2,1H3"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">false</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:nodeID="r1260270405r21791r11"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/C5H6N2OS/c1-3-2-4(8)7-5(9)6-3/h2H,1H3,(H2,6,7,8,9)"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">true</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:nodeID="r1260270405r21791r11"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/2C2H4O2.4H2O.3Pb/c2*1-2(3)4;;;;;;;/h2*1H3,(H,3,4);4*1H2;;;/q;;;;;;3*+2/p-6"/> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/C20H22O3/c1-20(2,19(21)22)23-16-12-10-15(11-13-16)18-9-5-7-14-6-3-4-8-17(14)18/h3-4,6,8,10-13,18H,5,7,9H2,1-2H3,(H,21,22)"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">false</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:nodeID="r1260270405r21791r12"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/HNO2.Na/c2-1-3;/h(H,2,3);/q;+1/p-1"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">false</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:nodeID="r1260270405r21791r12"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r11"/> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/C9H7N3O4S/c1-5(13)10-9-11-6(4-17-9)7-2-3-8(16-7)12(14)15/h2-4H,1H3,(H,10,11,13)"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">true</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:nodeID="r1260270405r21791r12"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/C8H5N3O4S/c12-4-9-8-10-5(3-16-8)6-1-2-7(15-6)11(13)14/h1-4H,(H,9,10,12)"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">true</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:nodeID="r1260270405r21791r12"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r4"/> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/C12H9NO2/c14-13(15)11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h1-3,6-7H,4-5H2"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">false</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:nodeID="r1260270405r21791r13"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/C6H14N2O4/c1-5(10)2-8(7-12)3-6(11)4-9/h5-6,9-11H,2-4H2,1H3"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">true</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:nodeID="r1260270405r21791r13"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/C5H11N3O3/c1-2-8(7-11)5(10)6-3-4-9/h9H,2-4H2,1H3,(H,6,10)"/> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/C6H12N2O4/c1-5(10)2-8(7-12)3-6(11)4-9/h6,9,11H,2-4H2,1H3"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">true</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:nodeID="r1260270405r21791r14"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/C5H12N2O4/c8-2-1-7(6-11)3-5(10)4-9/h5,8-10H,1-4H2"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">false</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:nodeID="r1260270405r21791r14"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r13"/> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/C5H10N2O3/c1-5(9)4-7(6-10)2-3-8/h8H,2-4H2,1H3"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">true</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:nodeID="r1260270405r21791r14"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/C7H15N3O/c1-6-4-10(8-11)5-7(2)9(6)3/h6-7H,4-5H2,1-3H3"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">true</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:nodeID="r1260270405r21791r14"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r3"/> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/C6H10N2O2/c1-3-4-8(7-10)5-6(2)9/h3H,1,4-5H2,2H3"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">true</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:nodeID="r1260270405r21791r15"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/C4H10N2O3/c1-6(5-9)2-4(8)3-7/h4,7-8H,2-3H2,1H3"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">true</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:nodeID="r1260270405r21791r15"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/C2H8N2/c1-4(2)3/h3H2,1-2H3"/> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/C4H8N2O2/c7-5-6-1-3-8-4-2-6/h1-4H2"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">true</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:nodeID="r1260270405r21791r16"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/C9H11N3O/c13-11-12-6-2-4-9(12)8-3-1-5-10-7-8/h1,3,5,7,9H,2,4,6H2"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">true</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:nodeID="r1260270405r21791r16"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r15"/> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/C9H11N3O2/c13-10-12-6-2-4-9(12)8-3-1-5-11(14)7-8/h1,3,5,7,9H,2,4,6H2"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">false</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:nodeID="r1260270405r21791r16"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/C5H10N2O/c8-6-7-4-2-1-3-5-7/h1-5H2"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">true</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:nodeID="r1260270405r21791r16"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r3"/> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/C4H8N2O/c7-5-6-3-1-2-4-6/h1-4H2"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">true</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:nodeID="r1260270405r21791r17"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/C6H10ClN3O3/c1-5(11)4-10(9-13)6(12)8-3-2-7/h2-4H2,1H3,(H,8,12)"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">true</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:nodeID="r1260270405r21791r17"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/HNO2.Na/c2-1-3;/h(H,2,3);/q;+1/p-1"/> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/C4H7N3O3/c1-3(8)2-7(6-10)4(5)9/h2H2,1H3,(H2,5,9)"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">true</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:nodeID="r1260270405r21791r18"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/C9H9NS/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">false</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:nodeID="r1260270405r21791r18"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r17"/> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/C12H12N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7H,2H2,1H3,(H2,13,14,15,16,17)"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">false</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:nodeID="r1260270405r21791r18"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/C16H13N/c1-2-8-15(9-3-1)17-16-11-10-13-6-4-5-7-14(13)12-16/h1-12,17H"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">false</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:nodeID="r1260270405r21791r18"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r4"/> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/C19H24N2O2/c22-18-13-20(19(23)15-7-2-1-3-8-15)12-17-16-9-5-4-6-14(16)10-11-21(17)18/h4-6,9,15,17H,1-3,7-8,10-13H2"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">false</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:nodeID="r1260270405r21791r19"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">false</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:nodeID="r1260270405r21791r19"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/C11H8N2O5/c12-11(14)8(9-2-1-5-17-9)6-7-3-4-10(18-7)13(15)16/h1-6H,(H2,12,14)"/> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/C15H10O7.2H2O/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6;;/h1-5,16-19,21H;2*1H2"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">false</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:nodeID="r1260270405r21791r20"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/C20H19N3.ClH/c1-13-12-16(6-11-19(13)23)20(14-2-7-17(21)8-3-14)15-4-9-18(22)10-5-15;/h2-12,21H,22-23H2,1H3;1H"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">false</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:nodeID="r1260270405r21791r20"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r19"/> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/C19H17N3.ClH/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15;/h1-12,20H,21-22H2;1H"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">false</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:nodeID="r1260270405r21791r20"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27?/m0/s1"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">false</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:nodeID="r1260270405r21791r20"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r3"/> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/C2HCl3/c3-1-2(4)5/h1H"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">false</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:nodeID="r1260270405r21791r21"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/C3H7NO2/c1-2-6-3(4)5/h2H2,1H3,(H2,4,5)"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">true</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:nodeID="r1260270405r21791r21"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/H4N2/c1-2/h1-2H2"/> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/C2H3Cl/c1-2-3/h2H,1H2"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">true</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:nodeID="r1260270405r21791r22"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/C6H5N2.BF4/c7-8-6-4-2-1-3-5-6;2-1(3,4)5/h1-5H;/q+1;-1"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">false</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:nodeID="r1260270405r21791r22"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r21"/> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/C6H12N4O2/c1-5-3-9(7-11)4-6(2)10(5)8-12/h5-6H,3-4H2,1-2H3"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">true</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:nodeID="r1260270405r21791r22"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/C5H13N3O/c1-7(2)4-5-8(3)6-9/h4-5H2,1-3H3"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">true</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:nodeID="r1260270405r21791r22"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r3"/> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/C6H12N2O2/c1-5-3-8(7-9)4-6(2)10-5/h5-6H,3-4H2,1-2H3"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">true</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:nodeID="r1260270405r21791r23"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/C4H6N2O3/c1-3-2-6(5-8)4(7)9-3/h3H,2H2,1H3"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">true</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:nodeID="r1260270405r21791r23"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/BF4.Na/c2-1(3,4)5;/q-1;+1"/> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/C4H8N2O3/c1-3-9-4(7)6(2)5-8/h3H2,1-2H3"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">true</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:nodeID="r1260270405r21791r24"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/C3H6N2O2/c6-4-5-1-2-7-3-5/h1-3H2"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">true</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:nodeID="r1260270405r21791r24"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r23"/> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/C9H11N3O2/c10-9(13)12(11-14)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,10,13)"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">true</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:nodeID="r1260270405r21791r24"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/C3H6N2O/c6-4-5-2-1-3-5/h1-3H2"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">true</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:nodeID="r1260270405r21791r24"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r4"/> </rdf:Description> - <rdf:Description rdf:about="http://localhost:4000/InChI=1S/BF4.Na/c2-1(3,4)5;/q-1;+1"> - <ns0:ActivityOutcome_CPDBAS_Hamster xmlns:ns0="http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#">false</ns0:ActivityOutcome_CPDBAS_Hamster> + <rdf:Description rdf:nodeID="r1260270405r21791r25"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r25"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/BrHO3.K/c2-1(3)4;/h(H,2,3,4);/q;+1/p-1"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r26"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r26"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r25"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r26"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r26"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r3"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r27"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r27"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/C14H9Cl5/c15-11-5-1-9(2-6-11)13(14(17,18)19)10-3-7-12(16)8-4-10/h1-8,13H"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r28"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r28"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r27"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r28"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r28"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r4"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r29"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r29"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/C10H13N3O2/c1-13(12-15)7-3-5-10(14)9-4-2-6-11-8-9/h2,4,6,8H,3,5,7H2,1H3"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r30"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r30"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r29"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r30"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r30"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r4"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r31"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r31"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/C5H13N3O/c1-7(2)4-5-8(3)6-9/h4-5H2,1-3H3"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r32"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r32"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r31"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r32"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r32"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r3"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r33"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r33"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/C2H3Cl/c1-2-3/h2H,1H2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r34"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r34"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r33"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r34"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r34"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r3"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r35"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r35"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/C9H11N3O/c13-11-12-6-2-4-9(12)8-3-1-5-10-7-8/h1,3,5,7,9H,2,4,6H2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r36"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r36"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r35"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r36"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r36"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r3"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r37"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r37"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/C16H13N/c1-2-8-15(9-3-1)17-16-11-10-13-6-4-5-7-14(13)12-16/h1-12,17H"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r38"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r38"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r37"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r38"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r38"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r4"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r39"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r39"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/C10H13NO2/c1-8(2)13-10(12)11-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,11,12)"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r40"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r40"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r39"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r40"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r40"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r4"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r41"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r41"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/C9H11N3O2/c13-10-12-6-2-4-9(12)8-3-1-5-11(14)7-8/h1,3,5,7,9H,2,4,6H2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r42"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r42"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r41"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r42"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r42"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r4"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r43"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r43"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r44"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r44"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r43"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r44"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r44"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r4"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r45"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r45"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/C6H12N2O4/c1-5(10)2-8(7-12)3-6(11)4-9/h6,9,11H,2-4H2,1H3"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r46"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r46"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r45"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r46"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r46"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r3"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r47"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r47"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r48"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r48"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r47"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r48"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r48"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r4"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r49"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r49"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/C5H12N2O4/c8-2-1-7(6-11)3-5(10)4-9/h5,8-10H,1-4H2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r50"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r50"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r49"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r50"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r50"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r4"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r51"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r51"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/C4H8N2O2/c7-5-6-1-3-8-4-2-6/h1-4H2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r52"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r52"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r51"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r52"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r52"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r3"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r53"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r53"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/C9H9NS/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r54"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r54"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r53"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r54"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r54"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r4"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r55"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r55"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/C12H8Cl6O/c13-8-9(14)11(16)5-3-1-2(6-7(3)19-6)4(5)10(8,15)12(11,17)18/h2-7H,1H2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r56"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r56"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r55"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r56"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r56"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r4"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r57"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r57"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/C14H8Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8H"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r58"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r58"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r57"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r58"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r58"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r3"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r59"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r59"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/C19H17N3.ClH/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15;/h1-12,20H,21-22H2;1H"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r60"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r60"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r59"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r60"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r60"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r4"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r61"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r61"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/C17H17ClO3/c1-17(2,16(19)20)21-11-12-3-5-13(6-4-12)14-7-9-15(18)10-8-14/h3-10H,11H2,1-2H3,(H,19,20)"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r62"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r62"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r61"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r62"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r62"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r4"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r63"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r63"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/C6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r64"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r64"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r63"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r64"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r64"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r3"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r65"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r65"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/C12H9NO2/c14-13(15)11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h1-3,6-7H,4-5H2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r66"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r66"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r65"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r66"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r66"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r4"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r67"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r67"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/C7H15N3O/c1-6-4-10(8-11)5-7(2)9(6)3/h6-7H,4-5H2,1-3H3"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r68"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r68"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r67"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r68"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r68"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r3"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r69"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r69"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/H4N2.H2O4S/c1-2;1-5(2,3)4/h1-2H2;(H2,1,2,3,4)"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r70"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r70"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r69"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r70"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r70"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r3"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r71"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r71"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/C5H10N2O3/c1-5(9)4-7(6-10)2-3-8/h8H,2-4H2,1H3"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r72"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r72"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r71"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r72"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r72"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r3"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r73"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r73"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/C4H5Cl/c1-3-4(2)5/h3H,1-2H2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r74"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r74"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r73"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r74"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r74"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r4"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r75"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r75"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/C17H17ClO6/c1-8-5-9(19)6-12(23-4)17(8)16(20)13-10(21-2)7-11(22-3)14(18)15(13)24-17/h6-8H,5H2,1-4H3/t8-,17?/m1/s1"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r76"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r76"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r75"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r76"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r76"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r4"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r77"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r77"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/C3H6O2/c4-1-3-2-5-3/h3-4H,1-2H2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r78"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r78"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r77"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r78"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r78"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r3"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r79"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r79"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/C3H7NO2/c1-2-6-3(4)5/h2H2,1H3,(H2,4,5)"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r80"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r80"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r79"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r80"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r80"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r3"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r81"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r81"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/C9H7N3O4S/c1-5(13)10-9-11-6(4-17-9)7-2-3-8(16-7)12(14)15/h2-4H,1H3,(H,10,11,13)"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r82"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r82"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r81"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r82"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r82"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r3"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r83"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r83"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/C6H10ClN3O3/c1-5(11)4-10(9-13)6(12)8-3-2-7/h2-4H2,1H3,(H,8,12)"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r84"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r84"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r83"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r84"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r84"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r3"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r85"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r85"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r86"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r86"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r85"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r86"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r86"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r4"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r87"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r87"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/C4H8N2O3/c1-3-9-4(7)6(2)5-8/h3H2,1-2H3"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r88"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r88"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r87"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r88"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r88"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r3"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r89"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r89"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/C20H22O3/c1-20(2,19(21)22)23-16-12-10-15(11-13-16)18-9-5-7-14-6-3-4-8-17(14)18/h3-4,6,8,10-13,18H,5,7,9H2,1-2H3,(H,21,22)"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r90"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r90"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r89"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r90"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r90"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r4"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r91"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r91"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r92"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r92"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r91"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r92"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r92"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r4"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r93"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r93"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/C8H5N3O4S/c12-4-9-8-10-5(3-16-8)6-1-2-7(15-6)11(13)14/h1-4H,(H,9,10,12)"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r94"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r94"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r93"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r94"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r94"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r3"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r95"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r95"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/C20H19N3.ClH/c1-13-12-16(6-11-19(13)23)20(14-2-7-17(21)8-3-14)15-4-9-18(22)10-5-15;/h2-12,21H,22-23H2,1H3;1H"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r96"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r96"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r95"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r96"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r96"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r4"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r97"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r97"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r98"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r98"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r97"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r98"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r98"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r4"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r99"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r99"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/C15H13NO/c1-10(17)16-13-6-7-15-12(9-13)8-11-4-2-3-5-14(11)15/h2-7,9H,8H2,1H3,(H,16,17)"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r100"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r100"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r99"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r100"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r100"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r3"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r101"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r101"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/Cd.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r102"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r102"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r101"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r102"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r102"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r4"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r103"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r103"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/C10H12ClNO2/c1-7(2)14-10(13)12-9-5-3-4-8(11)6-9/h3-7H,1-2H3,(H,12,13)"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r104"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r104"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r103"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r104"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r104"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r4"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r105"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r105"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/C6H7N3O/c7-9-6(10)5-1-3-8-4-2-5/h1-4H,7H2,(H,9,10)"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r106"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r106"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r105"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r106"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r106"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r4"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r107"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r107"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/C6H12N4O2/c1-5-3-9(7-11)4-6(2)10(5)8-12/h5-6H,3-4H2,1-2H3"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r108"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r108"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r107"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r108"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r108"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r3"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r109"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r109"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/C2HCl3/c3-1-2(4)5/h1H"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r110"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r110"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r109"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r110"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r110"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r4"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r111"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r111"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r112"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r112"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r111"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r112"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r112"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r4"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r113"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r113"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/C6H11N3O3/c1-3-9(8-12)6(11)7-4-5(2)10/h3-4H2,1-2H3,(H,7,11)"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r114"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r114"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r113"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r114"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r114"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r3"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r115"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r115"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/C8H6N4O4S/c13-4-9-11-8-10-5(3-17-8)6-1-2-7(16-6)12(14)15/h1-4H,(H,9,13)(H,10,11)"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r116"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r116"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r115"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r116"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r116"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r3"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r117"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r117"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/CH2O/c1-2/h1H2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r118"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r118"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r117"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r118"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r118"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r4"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r119"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r119"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/C6H5NO2/c8-6(9)5-1-3-7-4-2-5/h1-4H,(H,8,9)"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r120"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r120"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r119"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r120"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r120"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r4"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r121"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r121"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/C4H7N3O3/c1-3(8)2-7(6-10)4(5)9/h2H2,1H3,(H2,5,9)"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r122"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r122"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r121"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r122"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r122"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r3"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r123"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r123"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/CH6N2/c1-3-2/h3H,2H2,1H3"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r124"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r124"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r123"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r124"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r124"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r3"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r125"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r125"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/C2H4O/c1-2-3/h2H,1H3"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r126"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r126"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r125"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r126"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r126"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r3"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r127"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r127"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/C2H6N2O/c1-4(3)2-5/h2H,3H2,1H3"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r128"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r128"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r127"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r128"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r128"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r3"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r129"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r129"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/C6H10N2O/c1-3-5-8(7-9)6-4-2/h3-4H,1-2,5-6H2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r130"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r130"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r129"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r130"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r130"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r3"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r131"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r131"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r132"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r132"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r131"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r132"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r132"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r4"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r133"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r133"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/C9H11N3O2/c10-9(13)12(11-14)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,10,13)"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r134"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r134"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r133"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r134"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r134"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r3"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r135"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r135"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/C3H6N2O2/c6-4-5-1-2-7-3-5/h1-3H2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r136"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r136"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r135"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r136"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r136"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r3"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r137"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r137"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/C15H13NO2/c1-10(17)16(18)13-6-7-15-12(9-13)8-11-4-2-3-5-14(11)15/h2-7,9,18H,8H2,1H3"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r138"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r138"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r137"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r138"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r138"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r3"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r139"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r139"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/C4H6N2O3/c1-3-2-6(5-8)4(7)9-3/h3H,2H2,1H3"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r140"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r140"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r139"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r140"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r140"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r3"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r141"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r141"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/C15H10O7.2H2O/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6;;/h1-5,16-19,21H;2*1H2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r142"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r142"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r141"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r142"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r142"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r4"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r143"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r143"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/C3H6ClNO/c1-5(2)3(4)6/h1-2H3"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r144"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r144"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r143"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r144"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r144"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r3"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r145"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r145"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/C2H5ClO/c1-4-2-3/h2H2,1H3"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r146"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r146"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r145"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r146"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r146"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r3"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r147"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r147"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/C14H19N3S.ClH/c1-16(2)9-10-17(12-13-6-5-11-18-13)14-7-3-4-8-15-14;/h3-8,11H,9-10,12H2,1-2H3;1H"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r148"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r148"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r147"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r148"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r148"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r4"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r149"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r149"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/C12H12N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7H,2H2,1H3,(H2,13,14,15,16,17)"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r150"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r150"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r149"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r150"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r150"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r4"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r151"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r151"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r152"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r152"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r151"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r152"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r152"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r4"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r153"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r153"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/C3H6N2O/c6-4-5-2-1-3-5/h1-3H2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r154"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r154"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r153"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r154"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r154"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r3"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r155"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r155"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/C6H12N2O2/c1-5-3-8(7-9)4-6(2)10-5/h5-6H,3-4H2,1-2H3"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r156"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r156"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r155"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r156"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r156"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r3"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r157"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r157"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/C6H5N2.BF4/c7-8-6-4-2-1-3-5-6;2-1(3,4)5/h1-5H;/q+1;-1"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r158"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r158"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r157"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r158"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r158"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r4"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r159"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r159"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27?/m0/s1"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r160"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r160"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r159"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r160"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r160"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r4"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r161"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r161"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/C4H10N2O3/c1-6(5-9)2-4(8)3-7/h4,7-8H,2-3H2,1H3"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r162"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r162"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r161"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r162"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r162"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r3"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r163"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r163"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/C4H8N2O/c7-5-6-3-1-2-4-6/h1-4H2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r164"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r164"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r163"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r164"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r164"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r3"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r165"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r165"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/C6H10N2O2/c1-3-4-8(7-10)5-6(2)9/h3H,1,4-5H2,2H3"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r166"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r166"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r165"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r166"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r166"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r3"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r167"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r167"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/C2H8N2.2ClH/c1-3-4-2;;/h3-4H,1-2H3;2*1H"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r168"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r168"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r167"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r168"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r168"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r3"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r169"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r169"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/C19H24N2O2/c22-18-13-20(19(23)15-7-2-1-3-8-15)12-17-16-9-5-4-6-14(16)10-11-21(17)18/h4-6,9,15,17H,1-3,7-8,10-13H2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r170"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r170"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r169"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r170"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r170"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r4"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r171"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r171"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/C2H8N2O/c3-4-1-2-5/h4-5H,1-3H2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r172"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r172"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r171"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r172"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r172"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r4"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r173"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#Compound"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r173"> + <ns0:identifier xmlns:ns0="http://purl.org/dc/elements/1.1/" rdf:resource="http://localhost:4000/InChI=1S/C5H6N2OS/c1-3-2-4(8)7-5(9)6-3/h2H,1H3,(H2,6,7,8,9)"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r174"> + <rdf:type rdf:resource="http://www.opentox.org/api/1.1#DataEntry"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r174"> + <ns0:compound xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r173"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r174"> + <ns0:feature xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r2"/> + </rdf:Description> + <rdf:Description rdf:nodeID="r1260270405r21791r174"> + <ns0:values xmlns:ns0="http://www.opentox.org/api/1.1#" rdf:nodeID="r1260270405r21791r3"/> </rdf:Description> </rdf:RDF> diff --git a/features/dataset.feature b/features/dataset.feature index d6af70d..7cf130b 100644 --- a/features/dataset.feature +++ b/features/dataset.feature @@ -5,9 +5,7 @@ Feature: Dataset Given Content-Type is application/rdf+xml When I post <data> to the dataset webservice Then I should receive a valid URI - And the URI response should be <data> Examples: |data| |file: hamster_carcinogenicity.rdf| - |file: kazius.rdf| diff --git a/features/fminer.feature b/features/fminer.feature index e712449..773425a 100644 --- a/features/fminer.feature +++ b/features/fminer.feature @@ -9,6 +9,6 @@ Feature: Fminer Examples: |feature |data | - |http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#ActivityOutcome_CPDBAS_Hamster|file: hamster_carcinogenicity.rdf| + |http://www.epa.gov/NCCT/dsstox/CentralFieldDef.html#ActivityOutcome_CPDBAS_Hamster|file: hamster_carcinogenicity.rdf| #|http://dx.doi.org/10.1021/jm040835a|file: data/kazius.rdf| diff --git a/features/lazar.feature b/features/lazar.feature index 0e28c51..5534b6f 100644 --- a/features/lazar.feature +++ b/features/lazar.feature @@ -13,5 +13,5 @@ Feature: Create a model and predict an unknown compound Examples: |feature |data |smiles |prediction| - |http://www.epa.gov/ncct/dsstox/CentralFieldDef.html#ActivityOutcome_CPDBAS_Hamster|file: hamster_carcinogenicity.rdf|c1ccccc1NN|true | + |http://www.epa.gov/NCCT/dsstox/CentralFieldDef.html#ActivityOutcome_CPDBAS_Hamster|file: hamster_carcinogenicity.rdf|c1ccccc1NN|true | diff --git a/features/step_definitions/common_steps.rb b/features/step_definitions/common_steps.rb index e2d9f09..51bdc00 100644 --- a/features/step_definitions/common_steps.rb +++ b/features/step_definitions/common_steps.rb @@ -14,8 +14,9 @@ When /^I post (.*) to the (.*) webservice$/ do |data,component| end Then /^I should receive a valid URI$/ do - @response = RestClient.get @uri - #puts @response + #puts @uri + @response = RestClient.get @uri, :accept => '*/*' + puts @response.to_yaml end Then /^the URI should contain (.+)$/ do |result| diff --git a/features/step_definitions/fminer_step.rb b/features/step_definitions/fminer_step.rb index 62696f5..26588de 100644 --- a/features/step_definitions/fminer_step.rb +++ b/features/step_definitions/fminer_step.rb @@ -1,5 +1,6 @@ When /^I apply fminer for (.*)$/ do |feature_uri| dataset_uri = @uri @uri = RestClient.post File.join(@@config[:services]["opentox-algorithm"], "fminer"), :dataset_uri => dataset_uri, :feature_uri => feature_uri + #puts @uri @resources << @uri end diff --git a/features/step_definitions/lazar_steps.rb b/features/step_definitions/lazar_steps.rb index 3992bf9..47682cd 100644 --- a/features/step_definitions/lazar_steps.rb +++ b/features/step_definitions/lazar_steps.rb @@ -1,9 +1,6 @@ When /^I create a lazar model for (.*)$/ do |feature_uri| training_uri = @uri - feature_uri = RestClient.post File.join(@@config[:services]["opentox-algorithm"], "fminer"), :dataset_uri => training_uri, :feature_uri => feature_uri - @resources << feature_uri - #puts File.join(@@config[:services]["opentox-algorithm"], "lazar")+ ":activity_dataset_uri => #{training_uri}, :feature_dataset_uri => #{feature_uri}" - @uri = RestClient.post File.join(@@config[:services]["opentox-algorithm"], "lazar"), :activity_dataset_uri => training_uri, :feature_dataset_uri => feature_uri + @uri = RestClient.post File.join(@@config[:services]["opentox-algorithm"], "lazar"), :dataset_uri => training_uri, :feature_uri => feature_uri, :feature_generation_uri => File.join(@@config[:services]["opentox-algorithm"], "fminer") @resources << @uri #puts @uri.to_yaml end @@ -11,7 +8,8 @@ end Then /^the model should predict (.*) for (.*)$/ do |activity,smiles| compound_uri = OpenTox::Compound.new(:smiles => smiles).uri puts @uri - prediction = RestClient.post @uri, :compound_uri => compound_uri + puts compound_uri + prediction = RestClient.post @uri, :compound_uri => compound_uri, :type => "yaml" puts prediction #assert_equal activity.to_s, YAML.load(prediction)[:values]['classification'].to_s end |