summaryrefslogtreecommitdiff
path: root/data/Lowest_observed_adverse_effect_level-Rats.csv
blob: cf044248130849f83b8725b7a708da84b5d11ea0 (plain)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
258
259
260
261
262
263
264
265
266
267
268
269
270
271
272
273
274
275
276
277
278
279
280
281
282
283
284
285
286
287
288
289
290
291
292
293
294
295
296
297
298
299
300
301
302
303
304
305
306
307
308
309
310
311
312
313
314
315
316
317
318
319
320
321
322
323
324
325
326
327
328
329
330
331
332
333
334
335
336
337
338
339
340
341
342
343
344
345
346
347
348
349
350
351
352
353
354
355
356
357
358
359
360
361
362
363
364
365
366
367
368
369
370
371
372
373
374
375
376
377
378
379
380
381
382
383
384
385
386
387
388
389
390
391
392
393
394
395
396
397
398
399
400
401
402
403
404
405
406
407
408
409
410
411
412
413
414
415
416
417
418
419
420
421
422
423
424
425
426
427
428
429
430
431
432
433
434
435
436
437
438
439
440
441
442
443
444
445
446
447
448
449
450
451
452
453
454
455
456
457
458
459
460
461
462
463
464
465
466
467
468
469
470
471
472
473
474
475
476
477
478
479
480
481
482
483
484
485
486
487
488
489
490
491
492
493
494
495
496
497
498
499
500
501
502
503
504
505
506
507
508
509
510
511
512
513
514
515
516
517
518
519
520
521
522
523
524
525
526
527
528
529
530
531
532
533
534
535
536
537
538
539
540
541
542
543
544
545
546
547
548
549
550
551
552
553
554
555
556
557
558
559
560
561
562
563
564
565
566
567
568
569
570
571
572
573
574
575
576
577
578
579
580
581
582
583
584
585
586
587
588
589
590
591
592
593
594
595
596
597
598
599
600
601
602
603
604
605
606
607
608
609
610
611
612
613
614
615
616
617
618
619
620
621
622
623
624
625
626
627
628
629
630
631
632
633
634
635
636
637
638
639
640
641
642
643
644
645
646
647
648
649
650
651
652
653
654
655
656
657
658
659
660
661
662
663
664
665
666
667
668
669
670
671
672
673
674
675
676
677
678
679
680
681
682
683
684
685
686
687
688
689
690
691
692
693
694
695
696
697
698
699
700
701
702
703
704
705
706
707
708
709
710
711
712
713
714
715
716
717
718
719
720
721
722
723
724
725
726
727
728
729
730
731
732
733
734
735
736
737
738
739
740
741
742
743
744
745
746
747
748
749
750
751
752
753
754
755
756
757
758
759
760
761
762
763
764
765
766
767
768
769
770
771
772
773
774
775
776
777
778
779
780
781
782
783
784
785
786
787
788
789
790
791
792
793
794
795
796
797
798
799
800
801
802
803
804
805
806
807
808
809
810
811
812
813
814
815
816
817
818
819
820
821
822
823
824
825
826
827
828
829
830
831
832
833
834
835
836
837
838
839
840
841
842
843
844
845
846
847
848
849
850
851
852
853
854
855
856
857
858
859
860
861
862
863
864
865
866
867
868
869
870
871
872
873
874
875
876
877
878
879
880
881
882
883
884
885
886
887
888
889
890
891
892
893
894
895
896
897
898
899
900
901
902
903
904
905
906
907
908
909
910
911
912
913
914
915
916
917
918
919
920
921
922
923
924
925
926
927
928
929
930
931
932
933
934
935
936
937
938
939
940
941
942
943
944
945
946
947
948
949
950
951
952
953
954
955
956
957
958
959
960
961
962
963
964
965
966
967
968
969
970
971
972
973
974
975
976
977
978
979
980
981
982
983
984
985
986
987
988
989
990
991
992
993
994
995
996
997
998
999
SMILES,LOAEL
OCC(CO)O,-1.8735472827377653
OCCO,-1.5081659713033675
OC(=O)c1ccccc1N,-1.3023309286843994
CCOC(=O)c1ccccc1C(=O)OCC,-1.300073495267144
CCCCCCCCCCCC(=O)OCC(C1OCC(C1O)O)O,-1.2981322917796099
O=C1NS(=O)(=O)c2c1cccc2,-1.293649779215835
[O-]S(=O)(=O)NC1CCCCC1.[Na+],-1.2528772925637603
OCC(C1OC(=O)C(=C1O)O)O,-1.2386231053847003
CCCCCCCCCCCCCCCCCC(=O)OCC(C1OCC(C1O)O)O,-1.2234180569052944
OCCO,-1.207122497650964
OCCO,-1.1709068089307477
P12P3P1P23,-1.0748529958812472
OC1C2C(N(C)C)C(=O)C(=C(O)N)C(=O)C2(O)C(=O)C2=C(O)c3c(C(C12)(C)O)c(Cl)ccc3O,-1.0215200641140327
COC(=O)c1ccccc1C(=O)OC,-1.0128372247051722
COC(=O)c1ccc(cc1)O,-0.9938284615355355
OC(=O)C=CC(=O)O,-0.9690989294838307
O=C1CCCCC1,-0.9671827907251261
CCOC(=O)COC(=O)c1ccccc1C(=O)OCC,-0.9503599855766129
OCC(C1OC(=O)C(=C1O)O)O,-0.9456310458740838
CCCOC(=O)c1ccc(cc1)O,-0.9203372888854956
O=C1OC(=O)c2c1cccc2,-0.9031171295488665
COc1cc(c(cc1NN=C1C(=O)C=Cc2c1ccc(c2)S(=O)(=O)[O-])C)S(=O)(=O)[O-].[Na+].[Na+],-0.8769045453148221
ClCC(=O)c1ccc(cc1)NC(=O)C,-0.8730472649380243
OC(=O)CNCP(=O)(O)O,-0.8561425898722091
Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O,-0.8280021578068849
OC(=O)c1ccc(cc1N)N(=O)=O,-0.8133274093241547
OCCO,-0.8091959669673487
NC(=O)c1cnccn1,-0.806776718728446
NC(=S)NNC(=S)N,-0.7996024258846957
Nc1ccc(cc1)O,-0.7983951029360405
CCOc1ccc(cc1N)NC(=O)C,-0.7854010249923875
OC(=O)CNCP(=O)(O)O,-0.7719253789441974
Oc1ccccc1c1ccccc1,-0.7690226551851297
OC(=O)CNCP(=O)(O)O,-0.745051357794347
COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C,-0.7065214948994436
CNC(=N[N](=O)[O])NCC1COCC1,-0.6902669794624975
Clc1cc(N)c(c(n1)C(=O)O)Cl,-0.6840010770259624
CC(OC(=O)Nc1cccc(c1)Cl)C,-0.6702736915717395
C[N+]1(C)CCCCC1.[Cl-],-0.6599447086187201
S=c1sc2c([nH]1)cccc2,-0.6516946592276465
O=c1ccc(=O)[nH][nH]1,-0.6494127520818966
Oc1ccc(nn1)O,-0.6494127520818966
COc1ccc(cc1N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1cccc(c1)N(=O)=O)N(=O)=O,-0.6343160172184156
CC(CCCC1(C)CCc2c(O1)c(C)c(c(c2C)OC(=O)C)C)CCCC(CCCC(C)C)C,-0.6264019650606861
CCCOC(=O)c1cc(O)c(c(c1)O)O,-0.6097651056927426
CCCCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CC,-0.6072297750805989
OCCO,-0.6050786798589156
COc1ccc(cc1)N,-0.5853366276411315
CC(c1ccccc1)C,-0.584772080866149
CCc1ccccc1,-0.5846816852406054
C=Cc1ccccc1,-0.584399077579434
CC1CCC(C(C1)O)C(C)C,-0.5791888919086445
[O-]P(=O)OCC.[O-]P(=O)OCC.[O-]P(=O)OCC.[Al+3],-0.5664846315071651
Oc1ccccc1,-0.5629111450476486
CCOP(=O)O,-0.5604685709801248
CCCOC(=O)NCCCN(C)C,-0.557735717818272
Cc1cnc2c(c1)ccc(c2C(=O)O)Cl,-0.5235904048292048
OC(=O)CNCP(=O)(O)O,-0.5201165528332334
Clc1cnc2c(c1)ccc(c2C(=O)O)Cl,-0.49516954484866715
Oc1ccccc1c1ccccc1,-0.4941128329258674
ClCCP(=O)(O)O,-0.48948035185056615
CCCOC(=O)NCCCN(C)C.Cl,-0.4821300753920296
CN(NC(=O)CCC(=O)O)C,-0.48205851709131187
CC(N(c1c(cc(cc1N(=O)=O)C(F)(F)F)N(=O)=O)C(C)C)C,-0.47459501352264283
CC(=C)C(=O)O,-0.4594980326196918
COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1n2ccccc2nc1S(=O)(=O)CC,-0.4402319362267889
CC(c1ccccc1)C,-0.43994816604556397
CCc1ccccc1,-0.4379090355394984
C=Cc1ccccc1,-0.43719545247852387
C=O,-0.43632170013973326
FC(Cl)(Cl)Cl,-0.4049362937526993
COc1nn(c(=O)n1C)C(=O)NS(=O)(=O)c1ccccc1OC(F)(F)F,-0.40196888769519956
COC(=O)CC(c1ccc(cc1)Cl)NC(=O)C(C(C)C)NC(=O)OC(C)C,-0.39915433395821653
CCOC(=O)C=C,-0.39394353931557446
CO/N=C(\c1ccccc1COc1ccccc1C)/C(=O)OC,-0.38024743141054806
COC(=O)c1ccccc1O,-0.3740330955456876
CC(OC(=O)Nc1cccc(c1)Cl)C,-0.36925297501043064
CC=Cc1ccc(cc1)OC,-0.3657125618924928
COc1cc(OC)n2c(n1)nc(n2)NS(=O)(=O)c1c(OC)nccc1C(F)(F)F,-0.3621619134969115
ClCC[N](C)(C)C,-0.3507905474264569
c1ccc(cc1)c1ccccc1OCC1CO1,-0.3443333156812774
Clc1ccccc1CC(C1(Cl)CC1)(Cn1nc[nH]c1=S)O,-0.33817749929653595
CCCCOC(=O)c1ccccc1C(=O)OCCCC,-0.3335681749239878
Clc1ccc(cc1)Cl,-0.3098004456017336
OC(=O)COc1nc(F)c(c(c1Cl)N)Cl,-0.2923668466362255
CC(C1(C)N=C(NC1=O)c1ncccc1C(=O)O)C,-0.2818738568701229
CCC(=O)C1=C([O-])CC(CC1=O)C(=O)[O-].[Ca+2],-0.2727695865517595
CCC(c1noc(c1)NC(=O)c1c(OC)cccc1OC)(CC)C,-0.25650126621131825
COc1ccc(c(c1)OC)N,-0.2557065825826247
C[N+]1(C)CCCCC1.[Cl-],-0.25302283361133676
OC(=O)CNCP(=O)(O)O,-0.24905152880508483
O/C(=C\1/C(=O)CC(CC1=O)C(=O)O)/C1CC1,-0.24373236455264888
ClCC#CCOC(=O)Nc1cccc(c1)Cl,-0.24142195171199538
CCc1c(C(=O)O)c(=O)cnn1c1ccc(cc1)Cl,-0.2269863455252203
ClC(SN1C(=O)c2c(C1=O)cccc2)(Cl)Cl,-0.2268575702887235
NCC(c1ccc(cc1)O)O,-0.21274676478407128
c1ccc(cc1)c1ccccc1,-0.2098365950696554
CC(C1(C)N=C(NC1=O)c1nc2ccccc2cc1C(=O)O)C,-0.20574554094266215
CCC(c1noc(c1)NC(=O)c1c(OC)cccc1OC)(CC)C,-0.20016624636310748
CC(Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F)C,-0.18934992433919778
Fc1cc2CCC(n3c2c(c1)c(=O)c(c3)C(=O)O)C,-0.18500355649180514
COC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)OC,-0.17788264326532469
CCCCOC(=O)c1ccccc1C(=O)OCc1ccccc1,-0.1774499209718248
CCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CCC,-0.1558216897179667
O=C(Nc1cc(F)cc(c1)F)N/N=C(/c1ncccc1C(=O)O)\C,-0.14983469671578495
OCC1OC2OC3C(CO)OC(C(C3O)O)OC3C(CO)OC(C(C3O)O)OC3C(CO)OC(C(C3O)O)OC3C(OC(OC4C(OC(OC5C(OC(OC1C(C2O)O)C(O)C5O)CO)C(O)C4O)CO)C(O)C3O)CO,-0.1491266997426143
COc1ncc(c2n1nc(n2)S(=O)(=O)Nc1c(F)cccc1F)F,-0.143545627238422
Oc1ccc(c(c1)C(C)(C)C)O,-0.1315224289130697
COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)N(S(=O)(=O)C)C,-0.12749354475678243
OC1CCC2(C(C1)CCC1C2CCC2(C1CCC2C(CCC(=O)O)C)C)C,-0.12313266431090161
C[N]1(C)CCCCC1,-0.11839701195157529
COC(=O)Nc1nc2c([nH]1)cccc2,-0.11647491190833141
CC1=CC(=O)CC(C1)(C)C,-0.1123368357453173
OC(=O)C(CCP(=O)(O)C)N,-0.10167835102796928
FC(Cl)(Cl)F,-0.09363177682894759
OCc1cc(N=Nc2ccc(c3c2cccc3)S(=O)(=O)O)c(c(c1O)N=Nc1ccc(c2c1cccc2)S(=O)(=O)O)O,-0.08253405287271362
OC(=O)Cc1cccc2c1cccc2,-0.0812392609116973
CON=C(c1ccccc1COc1ccccc1C)C(=O)OC,-0.07802158052038617
CO/N=C(\c1ccccc1COc1ccccc1C)/C(=O)OC,-0.07802158052038617
CCCOc1nn(c(=O)n1C)C(=O)[N-]S(=O)(=O)c1ccccc1C(=O)OC.[Na+],-0.07532793416325864
CON=C(c1ccccc1COc1ccccc1C)C(=O)OC,-0.07217634447896637
COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)Nc1ccccc1C(=O)N(C)C,-0.07114529045108281
Oc1ccccc1c1ccccc1,-0.07003786660775509
Oc1ccc(cc1Cl)C(C)(C)C,-0.06807448990764815
[O-][N+](=O)c1cc(Cl)c(c(c1)Cl)N,-0.06419583586464264
BrC#N,-0.0613770741938875
C#N,-0.05960127976275395
ClC#N,-0.05644745847491751
COC(=O)C(=CC=CC(=CC=CC=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)C)C)C)C,-0.04898530257071102
COc1cccc(c1C)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,-0.04743064015554219
Cc1cc(C)nc(n1)Nc1ccccc1,-0.04497070529276922
O=C1CCCCCN1,-0.04324435400848393
CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC,-0.03730695089709131
Clc1ccccc1,-0.027797943350299427
ClCC[N+](C)(C)C,-0.025387799890407722
ClCCP(=O)(O)O,-0.016239191042638865
OC(=O)c1nc(Cl)c(c(c1Cl)N)Cl,-0.015108160645837197
CC[N](=C1C=CC(=C(c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)c2ccc(cc2)N(C)C)C=C1)Cc1cccc(c1)S(=O)(=O)O,-0.004321373782642578
Oc1noc(c1)C,0.0003866941933463142
CCCOC(=O)c1ccc(cn1)C(=O)OCCC,0.00221620394895718
Oc1cccc2c1nccc2,0.00650645523101598
O=C(C1(C)CCCCC1)Nc1ccc(c(c1Cl)Cl)O,0.014905998457995392
O=N(=O)c1cccc2c1cccc2,0.020984577481043508
OCCNc1ccc(cc1OCCO)N(=O)=O,0.024388995821753138
Nc1nc(NC2CC2)nc(n1)N,0.027463929127743564
COP(=O)OC,0.04158425126817697
ClCCP(=O)(O)O,0.042579494938849424
OCCn1c(C)ncc1[N+](=O)[O-],0.05729763111133231
CCCCNC(=O)n1c(NC(=O)OC)nc2c1cccc2,0.0649312805778938
ClCC[N+](C)(C)C.[Cl-],0.0653096935781494
CCOC(=O)C1OC1(C)c1ccccc1,0.0713276803117519
Nc1ccc(c(c1)C)NOS(=O)(=O)O,0.074095155651381
OC(=O)c1nc(Cl)c(c(c1Cl)N)Cl,0.08181233864107436
CCOc1cc(ccc1OCC)NC(=O)OC(C)C,0.0840200858597756
OC(C(Cl)(Cl)Cl)O,0.08820873052749173
COC(CCCC(C/C=C/C(=C/C(=O)OC(C)C)/C)C)(C)C,0.0940800532173745
ClC(Br)Cl,0.10044759579324952
ClCC[N+](C)(C)C.[Cl-],0.10193883123023993
COC(=O)NS(=O)(=O)c1ccc(cc1)N,0.10690988899790645
Clc1ccc(c(n1)C(=O)O)Cl,0.10720996964786836
Clc1ccc(c(n1)C(=O)O)Cl,0.10720996964786836
COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)Cc1ccccc1C(=O)O,0.10815045306512698
CCOc1nc(F)cc2n1nc(n2)S(=O)(=O)Nc1c(Cl)cccc1C(=O)OC,0.1213920435061682
O=C(C1C(C1(C)C)C=C(C)C)OCN1C(=O)C2=C(C1=O)CCCC2,0.12242134816022694
COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)Cc1ccccc1C(=O)OC,0.12325116643447916
CCCCOCCOCCOCc1cc2OCOc2cc1CCC,0.13153778019143403
[O-][N+](=O)c1cc(Cl)c(c(c1)Cl)N,0.1399076639183564
CC1OC(C)OC(C1)OC(=O)C,0.1441236220474085
ClCC(=O)N(c1c(C)cccc1CC)COC(C)C,0.15197107789074285
CCCCOCC(OCC(O)C)C,0.17218502835569832
CCCOC(=O)NCCCN(C)C.Cl,0.17556824925514547
COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC,0.18340080321223973
CC(OC(=O)NC(C(=O)NC(c1nc2c(s1)cc(cc2)F)C)C(C)C)C,0.18420980481719604
Clc1ccc(cc1)S(=O)(=O)c1cc(Cl)c(cc1Cl)Cl,0.18978765094763042
COC(=O)c1ccc(cc1)C(=O)OC,0.19130299738850176
ClC(C(Cl)Cl)Cl,0.1914986939302926
OC1(Cn2ncnc2)/C(=C/c2ccc(cc2)Cl)/CCC1(C)C,0.19339272766191082
COc1c(OC)cc(c(c1OC)C(=O)c1c(OC)ccc(c1C)Br)C,0.19703481698704578
CN(C(=O)Nc1ccc(cc1)Cl)C,0.2011767757795997
O=Cc1ccco1,0.2045023300575414
ClCCl,0.20825322607906688
OC(=O)C1C2CCC(C1C(=O)O)O2,0.20919427624554426
COCCN(c1c(C)cccc1C)C(=O)CCl,0.21190236661970266
NC1CCCCC1,0.21824462534753114
COc1cc(Cl)c(cc1Cl)OC,0.21917163032699746
COC(=O)c1csc(c1S(=O)(=O)NC(=O)n1nc(n(c1=O)C)OC)C,0.22228326139037405
NC1CCCCC1,0.22924369090623128
ClCCl,0.230105964187831
CCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CCCl,0.2448724686893053
Nc1ccc(c(c1)N(=O)=O)N,0.24556756610630756
[O-][N+](=O)c1cc(Cl)c(c(c1)Cl)N,0.2478132149114476
ClCCOc1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(n1)OC,0.26004020676066664
Oc1ccc2c(c1N=Nc1ccccc1)ccc(c2)S(=O)(=O)O,0.26105304667829976
Clc1ccc(cc1)CN(C(=O)Nc1ccccc1)C1CCCC1,0.26170314076675805
CC(C12CCC(O2)(C(C1)OCc1ccccc1C)C)C,0.26229064755923226
COC(=O)c1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)Cl,0.26235420943811166
COC(=O)C1(O)c2cc(Cl)ccc2c2c1cccc2,0.2627675885591969
[O-][N+](=O)/N=C\1/N(Cc2cnc(s2)Cl)COCN1C,0.2746274885785479
O=CCC1CC(C)C(=O)C=CC(=CC(C(OC(=O)CC(C(C1OC1(C)OC(C)C(C(C1O)N(C)C)OC1(C)OC(C)C(C(C1)(C)O)O)C)O)CC)COC1OC(C)C(C(C1OC)OC)O)C,0.2760684247270624
COCC(N(c1c(C)cccc1CC)C(=O)CCl)C,0.27691392283721084
CCOc1cc(ccc1C1COC(=N1)c1c(F)cccc1F)C(C)(C)C,0.28374617410396336
COc1c(Cl)ccc(c1C(=O)O)Cl,0.28377121583005716
CCCCC(COC(=O)c1ccccc1C(=O)OCC(CCCC)CC)CC,0.29065370490612896
CCOc1nc(nc(n1)NC)NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC,0.29099307039793554
CCCOC(=O)NCCCN(C)C.Cl,0.29475225982109493
N#Cc1c[nH]cc1c1cccc(c1Cl)Cl,0.2957207588154646
CCOC(=O)OC1=C(C(=O)NC21CCC(CC2)OC)c1cc(C)ccc1C,0.29576366269121235
CCOC(=O)OC1=C(C(=O)NC21CCC(CC2)OC)c1cc(C)ccc1C,0.29576366269121235
O=c1[nH]c2CCCc2c(=O)n1C1CCCCC1,0.2978797847408851
ClC(Cl)Cl,0.29876887487274084
COC(=O)C(NC(=O)C(CC(=O)O)N)Cc1ccccc1,0.3014732021092552
OC(=O)C(Oc1cccc(c1)Cl)C,0.30236968685337956
CN1N(C)C(CC1c1ccccc1)c1ccccc1,0.3050966001866355
CCCCc1c(C)nc(nc1OS(=O)(=O)N(C)C)NCC,0.30713546264273256
CC1OC(C)CN(C1)C1CCCCCCCCCCC1,0.3159000388714622
Clc1c(Cl)c([N+](=O)[O-])c(c(c1Cl)Cl)Cl,0.32109939155527684
ClCC[N+](C)(C)C.[Cl-],0.32378208897472166
Clc1c(Cl)c([N+](=O)[O-])c(c(c1Cl)Cl)Cl,0.3241850105488455
O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1F)Oc1ccc(cc1Cl)C(F)(F)F,0.3273757636235727
Clc1cc(ccc1Oc1ccc(c(c1)C(=O)[O-])[N+](=O)[O-])C(F)(F)F.[Na+],0.3286512527182731
CC(C#C)(CC)O,0.32910504647978983
COCN(c1c(CC)cccc1CC)C(=O)CCl,0.3306180266382941
Cc1cc(N)c(cc1C)C,0.3316606839304537
CSC(=O)c1cccc2c1snn2,0.33646868040700656
CCSC(=O)N(CC(C)C)CC(C)C,0.33720440522271905
N#Cc1c[nH]cc1c1cccc2c1OC(O2)(F)F,0.34169281115210776
CC1N(C(=O)NC2CCCCC2)C(=O)SC1c1ccc(cc1)Cl,0.34350890569841486
O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1F)Oc1ccc(cc1Cl)C(F)(F)F,0.3506456666356317
N#Cc1c[nH]cc1c1cccc2c1OC(O2)(F)F,0.35338065059536966
CO/C=C(\c1ccccc1COc1cccc(n1)C(F)(F)F)/C(=O)OC,0.3555318676947022
CC(Oc1ccccn1)COc1ccc(cc1)Oc1ccccc1,0.3608722506294798
CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC,0.363652544891169
CC(Oc1ccccn1)COc1ccc(cc1)Oc1ccccc1,0.3649286265357719
CC(=CC1C(C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)C,0.36853593732630685
NCCNc1cccc2c1cccc2,0.37248052866231735
Clc1c(Cl)c([N+](=O)[O-])c(c(c1Cl)Cl)Cl,0.3734030332190271
O=C1N(OCC1(C)C)Cc1ccccc1Cl,0.3796661101133605
O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1)Cl,0.3954067884187704
CCCCNC(=O)n1c(NC(=O)OC)nc2c1cccc2,0.4021732296220636
N#Cc1ccc(cc1)C/C(=N/NC(=O)Nc1ccc(cc1)OC(F)(F)F)/c1ccc(cc1)C(F)(F)F,0.40346887816639565
CO/N=C(\c1ccccc1Oc1ncnc(c1F)Oc1ccccc1Cl)/C1=NOCCO1,0.4039750104769187
CCC(n1c(=O)[nH]c(c(c1=O)Br)C)C,0.40399702961561096
COC(=O)Nc1nc2c([nH]1)cccc2,0.40639276248013095
O=C(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl,0.41106754767681414
O=C(Nc1ccnc(c1)Cl)Nc1ccccc1,0.4254131908061819
CC(=CC1C(C1(C)C)C(=O)OCc1coc(c1)Cc1ccccc1)C,0.43257365514742613
Cc1nnc(c(=O)n1N)c1ccccc1,0.4330678000342624
CCN(C(=O)C(Oc1cccc2c1cccc2)C)CC,0.4335389375093063
O=CNC(C(Cl)(Cl)Cl)N1CCN(CC1)C(C(Cl)(Cl)Cl)NC=O,0.4343292396214822
Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)CCCO2,0.4343882750979413
CCCCC(c1ccc(cc1)Cl)(Cn1cncn1)C#N,0.4352511081869822
COc1ccc(cc1)C(C(Cl)(Cl)Cl)c1ccc(cc1)OC,0.4417235394286475
N=C(NC(=N)N)NCCc1ccccc1,0.4489771869661306
OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl,0.44975941346983
Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccccn1,0.45437130300715145
OC(=O)C(Cl)(Cl)C,0.4562671121127415
CCC(=O)Nc1ccc(c(c1)Cl)Cl,0.4577972175659718
Clc1cc(ccc1Oc1ccc(c(c1)C(=O)O)[N+](=O)[O-])C(F)(F)F,0.4613885686555222
OC(=O)COc1ccc(cc1Cl)Cl,0.46940334082401963
CN(C1C(=O)C(=C(O)N)C(=O)C2(C1CC1C(=C(O)c3c(C1(C)O)cccc3O)C2=O)O)C,0.47171335503894035
OC(=O)CSc1cc(/N=c/2\sc(=O)n3n2CCCC3)c(cc1Cl)F,0.4769562541646596
ClC(SN1C(=O)C2C(C1=O)CC=CC2)(Cl)Cl,0.4779733071886505
CCCCCCC(c1cc(cc(c1OC(=O)/C=C\C)[N+](=O)[O-])[N+](=O)[O-])C,0.4795033665674557
ClC(SN1C(=O)C2C(C1=O)CC=CC2)(Cl)Cl,0.48674243602099465
O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(c(c1F)Cl)F,0.49291359170948634
OC(=O)CCl,0.4982973080098996
C#CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C)C,0.49996946581612567
ClCC(=O)N(c1c(C)cccc1C)Cn1cccn1,0.5041366495179556
COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC,0.5057897307706736
CNC(=O)Oc1cc(C)cc(c1C)C,0.5137821153320272
NC1CC(N=C(C(=O)O)N)C(OC1OC1C(O)C(O)C(C(C1O)O)O)C,0.5145909236774223
CCCCCCCCSC(=O)Oc1cc(Cl)nnc1c1ccccc1,0.5178413045887236
Fc1ccc(c(c1)F)NC(=O)c1cccnc1Oc1cccc(c1)C(F)(F)F,0.5180846348916255
CCOC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(Cl)cc(n1)OC,0.5209576284133699
CN(C(=S)[S-])C.CN(C(=S)[S-])C.CN(C(=S)[S-])C.[Fe+3],0.5227050622218726
CNC(=O)Oc1cccc2c1cccc2,0.5240819585605319
COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(OC(F)F)cc(n1)OC(F)F,0.5244304978725236
CNC(=O)Oc1cccc2c1cccc2,0.5255214895917043
CCCCOCCOCCOCc1cc2OCOc2cc1CCC,0.5294866078313349
Cc1ccc(cc1)N(S(=O)(=O)N(C)C)SC(Cl)(Cl)F,0.5406527536056628
C#CCOS(=O)OC1CCCCC1Oc1ccc(cc1)C(C)(C)C,0.5446525636058117
CCCC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Cl,0.5520361697732551
OC(=O)COc1ccc(cc1Cl)Cl,0.5520671344078197
COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1ncccc1S(=O)(=O)CC,0.5521445556544645
CC(CC(c1sccc1NC(=O)c1cn(nc1C(F)(F)F)C)C)C,0.5555960442504486
CCSC(CC1CC(=O)C(=C(NOCC=CCl)CC)C(=O)C1)C,0.5561895988786021
ClC=C(c1cc(Cl)c(cc1Cl)Cl)OP(=O)(OC)OC,0.5634398293782596
OCC(CCl)O,0.5663901566762818
Nc1cnn(c(=O)c1Cl)c1ccccc1,0.5674957011389724
CC(Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F)C,0.5701024413128524
Fc1ccc(cc1)Oc1ccnc2c1c(Cl)cc(c2)Cl,0.585645126657133
Cc1ccc(cc1)N(S(=O)(=O)N(C)C)SC(Cl)(Cl)F,0.5864152712755908
CCOCN(c1c(C)cccc1CC)C(=O)CCl,0.5921334169692242
C=CC1(C)OC(=O)N(C1=O)c1cc(Cl)cc(c1)Cl,0.5938005763366871
[S]C(=S)NCCNC(=S)S[Mn],0.597669823868334
CC1OC(C)OC(OC(O1)C)C,0.6025814576486522
CCc1cc(C)cc(c1c1c(OC(=O)C(C)(C)C)n2n(c1=O)CCOCC2)CC,0.6026162443427237
OC(=O)c1nc(Cl)c(c(c1Cl)N)Cl,0.6046910839214119
C=CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C)C,0.605530807652566
CCOCN(c1c(C)cccc1CC)C(=O)CCl,0.6055658314011255
Fc1ccc2c(c1)n(c(c2Br)C)S(=O)(=O)c1ncn(n1)S(=O)(=O)N(C)C,0.6194450778457865
CCC(n1c(=O)[nH]c(c(c1=O)Br)C)C,0.6209484238156326
CNC(=O)Oc1ccccc1OC(C)C,0.6216747904039281
CCSC(CC1CC(=O)C(=C(NOCC=CCl)CC)C(=O)C1)C,0.6216929651431873
Cl/C=C/CO/N=C(\C1=C(O)CC(CC1=O)CC(SCC)C)/CC,0.6216929651431873
CC1=C(C)S(=O)(=O)CCS1(=O)=O,0.6238064131157152
Clc1c(ccc(c1N)[N+](=O)[O-])Oc1ccccc1,0.6303018610501191
CCNC(=O)C(OC(=O)Nc1ccccc1)C,0.6330356796840821
CC(CC(c1sccc1NC(=O)c1cn(nc1C(F)(F)F)C)C)C,0.6365196444403993
O=CNC(C(Cl)(Cl)Cl)N1CCN(CC1)C(C(Cl)(Cl)Cl)NC=O,0.6384421385594775
CNC(=O)Oc1ccccc1OC(C)C,0.6394065864347511
Nc1cnn(c(=O)c1Cl)c1ccccc1,0.6466801557572905
Nc1ccc2c(c1)nc1c(c2)ccc(c1)N,0.6485515770908835
COCC(=O)N(c1c(C)cccc1C)C(C(=O)OC)C,0.6502369560120504
CC(Nc1nc(NC(C)C)nc(n1)Cl)C,0.653607901682671
ClCC(=O)N(c1c(C)cccc1CC)COC(C)C,0.6536665888044787
CC(c1ccc(cc1)O)(c1ccc(cc1)O)C,0.6595162253742823
O=C1CCCC(=O)C1C(=O)c1ccc(cc1Cl)S(=O)(=O)C,0.6595558851598816
CC(Nc1nc(NC(C)C)nc(n1)Cl)C,0.66220142273775
ClCC(=O)N(c1c(CC)cccc1CC)CNC(=O)C,0.6765828786495807
COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1CCC(F)(F)F,0.6781324193692118
CO/C=C(\c1ccccc1Oc1ncnc(c1)Oc1ccccc1C#N)/C(=O)OC,0.6897954111019945
O=C(NS(=O)(=O)c1ccccc1C(=O)OC1COC1)Nc1nc(C)cc(n1)C,0.6898804626531899
Cn1nc(c(c1)C(=O)Nc1ccccc1C1CC1C1CC1)C(F)F,0.6942188487450178
C=Cc1ccccc1,0.6954448498795582
Nc1ccc(c(c1)N)O,0.6959836634792338
c1scc(n1)c1nc2c([nH]1)cccc2,0.7016710119265048
O=c1nc(N(C)C)n(c(=O)n1C1CCCCC1)C,0.7029620906206402
OC(=O)C(Cl)(Cl)C,0.7054456011689532
OC1CN(C(=O)N1c1nnc(s1)C(C)(C)C)C,0.7098095160296959
CCCCCCC(c1cc(cc(c1OC(=O)/C=C\C)[N+](=O)[O-])[N+](=O)[O-])C,0.7103218791002677
N#CCNC(=O)c1cnccc1C(F)(F)F,0.7157046517694734
COP(=O)(NC(=O)C)SC,0.7187847673886838
COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1CCC(F)(F)F,0.7200594271604471
O=N(=O)c1ccc(c(c1)N(=O)=O)C,0.7289022077868816
CCOCN(c1c(C)cccc1CC)C(=O)CCl,0.7320074096344176
CN1CN(C)CSC1=S,0.7331335587788191
c1ccc(cc1)Nc1ccccc1,0.7370982373458622
CC1=NNC(=O)N(C1)/N=C/c1cccnc1,0.742513420926119
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,0.7443416268287478
COCC(=O)N(c1c(C)cccc1C)N1CCOC1=O,0.7455486046549836
CBr,0.7470014198431081
N#Cc1cc(C)c(c(c1)C(=O)NC)NC(=O)c1cc(nn1c1ncccc1Cl)Br,0.7471227074362395
Clc1ccc(cc1)CCC(C(C)(C)C)(Cn1cncn1)O,0.747924056200199
CCCCCCCCSC(=O)Oc1cc(Cl)nnc1c1ccccc1,0.7492385520203118
CCCCCCCCCC[N+](CCCCCCCCCC)(C)C.[Cl-],0.7526160071097443
CCOCN(c1c(C)cccc1CC)C(=O)CCl,0.7542899704547085
CCCCCCCCc1cc(N(=O)=O)c(c(c1)N(=O)=O)OC(=O)C=CC,0.7554012986711326
CCCCCCC(c1cc(cc(c1OC(=O)/C=C/C)[N+](=O)[O-])[N+](=O)[O-])C,0.7554012986711326
CCN(C(=O)C(Oc1cccc2c1cccc2)C)CC,0.7562924133382095
CNC(=O)N(c1nnc(s1)C(C)(C)C)C,0.7564658981679381
COC(=O)c1ccc(cc1C1=NC(C(=O)N1)(C)C(C)C)C,0.7609258617641064
Clc1cc(Cl)c(cc1n1nc(n(c1=O)C(F)F)C)NS(=O)(=O)C,0.7618534935689649
Cc1ccc(c2c1cccc2)C,0.7623808700538108
CCC(Nc1c(cc(cc1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C,0.7713430418910647
O=C1N(c2cc(Cl)cc(c2)Cl)C(=O)C2(C1(C)C2)C,0.7722932179393288
CNc1cnn(c(=O)c1Cl)c1cccc(c1)C(F)(F)F,0.7727047496082895
ClC(SN1C(=O)c2c(C1=O)cccc2)(Cl)Cl,0.7731424297112764
CC(N1C(=O)c2ccccc2NS1(=O)=O)C,0.7786640204661717
C#CC(NC(=O)c1cc(Cl)cc(c1)Cl)(C)C,0.780075086811172
Cc1cccc2c1n1cnnc1s2,0.7856330784033956
CC(OC(=O)Nc1ccccc1)C,0.7909678031634652
CCOC(=O)CN(c1c(CC)cccc1CC)C(=O)CCl,0.794903952421516
Cc1nc(Nc2ccccc2)nc(c1)C1CC1,0.8012879425395989
COP(=S)(Oc1cc(Cl)c(cc1Cl)Cl)OC,0.8082696066371436
OC(=O)C(Oc1ccc(cc1Cl)Cl)C,0.8088844776196935
COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC,0.8102570997584302
COC=C(c1ccccc1Oc1ncnc(c1)Oc1ccccc1C#N)C(=O)OC,0.8115777853641719
Clc1ccc(c(c1)Cl)C=C(C(C(C)(C)C)O)n1cncn1,0.8145428425980741
CCNC(=O)NC(=O)C(=NOC)C#N,0.8156209193414036
CCNC(=O)NC(=O)/C(=N\OC)/C#N,0.8156209193414036
CCC(c1noc(c1)NC(=O)c1c(OC)cccc1OC)(CC)C,0.8166447297394875
CON=C(c1ccc(cc1Cl)Cl)Cc1cccnc1,0.816844084565987
CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC,0.8200175747074082
N#Cc1c(Cl)c(C#N)c(c(c1Cl)Cl)Cl,0.8226655444942998
CC(N1C(=O)c2ccccc2NS1(=O)=O)C,0.8244012204816238
c1scc(n1)c1nc2c([nH]1)cccc2,0.8266097485348047
COC(CCCC(CC=CC(=CC(=O)OC(C)C)C)C)(C)C,0.829269030662141
c1ccc(cc1)Nc1ccccc1,0.8305313021730596
CON=C(c1ccccc1CON=C(c1cccc(c1)C(F)(F)F)C)C(=O)OC,0.8328895214033427
CCOc1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)C(F)(F)F,0.8340734503909036
CC(=O)O.CCCCCCCCCCCCNC(=N)N,0.835290336460121
CC(N1C(=O)c2ccccc2NS1(=O)=O)C,0.8366596943817484
Clc1ccccc1CC(C1(Cl)CC1)(Cn1nc[nH]c1=S)O,0.8379137597591453
ClC(=C)Cl,0.8404027320125915
COc1nc(C)nc(n1)N(C(=O)NS(=O)(=O)c1ccccc1C(=O)O)C,0.8409745087750948
COC(=O)C(N(c1c(C)cccc1C)C(=O)Cc1ccccc1)C,0.8496734635012924
CC(OC(=O)Nc1cccc(c1)Cl)C,0.8526019606523453
OC(=O)COc1nc(Cl)c(cc1Cl)Cl,0.8527257000881574
CN1CC2CC1CN2c1cc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)O,0.8541512434094563
CC(NC(=O)N1CC(=O)N(C1=O)c1cc(Cl)cc(c1)Cl)C,0.8559865342138013
CC(C(c1cncnc1)(c1ccc(cc1)OC(F)(F)F)O)C,0.8600894441243174
CCC(Nc1c(cc(cc1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C,0.8617920673318369
Cc1cccc2c1n1cnnc1s2,0.8620448764676394
CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,0.8622662052462875
CCCCCCCCc1cc(N(=O)=O)c(c(c1)N(=O)=O)OC(=O)C=CC,0.86261423566603
ClC(Br)Br,0.8637869344869751
ClC=C(c1cc(Cl)c(cc1Cl)Cl)OP(=O)(OC)OC,0.864453931664921
O=C(Nc1cnns1)Nc1ccccc1,0.8657910070679165
CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,0.8658866701576757
OC(C(C)(C)C)C(=Cc1ccc(cc1)Cl)n1ncnc1,0.8694411001359859
ClC(SN1C(=O)c2c(C1=O)cccc2)(Cl)Cl,0.8700524427193329
C=CCOC(c1ccc(cc1Cl)Cl)Cn1cncc1,0.870954940112042
CCCN(C(=O)SCC)CCC,0.8792615944570572
[O-][N+](=O)/N=C(\NC)/NCc1cnc(s1)Cl,0.8854890951511256
CC(N(c1c(cc(cc1N(=O)=O)S(=O)(=O)N)N(=O)=O)C(C)C)C,0.8863239881028999
O=C(N(C)C)Nc1cccc(c1)C(F)(F)F,0.8887374863409347
ClC(=CC1C(C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)Cl,0.8935371162038789
O=C(C1=C(C)OCCS1)Nc1ccccc1,0.894489815230026
CON(C(=O)Nc1ccc(c(c1)Cl)Cl)C,0.9015293343493707
CN(C(=O)C(c1ccccc1)c1ccccc1)C,0.9018410165394664
CO/C=C(\c1ccccc1COc1cccc(n1)C(F)(F)F)/C(=O)OC,0.9022916194183701
c1coc(c1)c1nc2c([nH]1)cccc2,0.9035418882825467
CNC(=O)Oc1cc(C)c(c(c1)C)SC,0.9056337016638656
CNC(=O)ON=C(SC)C,0.9090369234042683
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,0.9204208330298691
CCCCc1c(=O)nc([nH]c1C)NCC,0.9228138459141033
COc1cc(ccc1OC)C(=CC(=O)N1CCOCC1)c1ccc(cc1)Cl,0.9231048061339493
CC(N(c1c(cc(cc1N(=O)=O)C(F)(F)F)N(=O)=O)C(C)C)C,0.9233595563296582
N#CC(c1ccccc1)(Cn1cncn1)CCc1ccc(cc1)Cl,0.925329811075993
CCNC(=O)NC(=O)/C(=N\OC)/C#N,0.9259885539910551
Nc1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(n1)C,0.926061809364747
CCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])Cc1c(F)cccc1Cl,0.926061809364747
CNC(=O)O/N=C(\SC)/C,0.9267583523880014
COc1c(OC)cc(c(c1OC)C(=O)c1c(OC)ncc(c1C)Cl)C,0.9308130748480904
CCNc1nc(NC(C)C)nc(n1)Cl,0.9358790941703782
CBr,0.9360664758369617
O=C(c1cccc(c1C(=O)NC(CS(=O)(=O)C)(C)C)I)Nc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)F,0.9364039667089409
N#Cc1c(N)nc(nc1N)NC1CC1,0.9368168120324242
Oc1ccc(c(c1)C)C,0.9408153823686288
Clc1cc(ccc1Oc1ccc(c(c1)C(=O)NS(=O)(=O)C)[N+](=O)[O-])C(F)(F)F,0.9432475594325607
COC(=O)c1c(nc(c(c1CC(C)C)C1=NCCS1)C(F)(F)F)C(F)F,0.9526861841846117
CCOc1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)C(F)(F)F,0.9562841419387937
CCCN(CC1COC2(O1)CCC(CC2)C(C)(C)C)CC,0.9574638632778565
CCNc1nc(NC(C)C)nc(n1)Cl,0.9609032895585495
ClCC(=O)N(c1ccccc1)C(C)C,0.9639702693434566
S=C1NCCNC(=S)S[Mn+2]S1,0.9643301653483193
CCOC(=O)C(OC(=O)c1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)C(F)(F)F)C,0.9654517529015312
CCOC(=O)C(OC(=O)c1cc(ccc1N(=O)=O)Oc1cc(ccc1Cl)C(F)(F)F)C,0.9654517529015312
CC(N(c1c(cc(cc1N(=O)=O)S(=O)(=O)N)N(=O)=O)C(C)C)C,0.9729767454112964
[O-][N+](=O)c1cnc(n1C)C,0.9735075929471604
COCc1c(F)c(F)c(c(c1F)F)COC(=O)C1C(C1(C)C)/C=C/C,0.9758017677931314
CC(c1nn(c(=O)n1N)C(=O)NC(C)(C)C)C,0.9794315651986374
CCCN(c1c(cc(cc1[N+](=O)[O-])S(=O)(=O)N)[N+](=O)[O-])CCC,0.9832172875131593
COc1ncc(c2n1nc(n2)NS(=O)(=O)c1c(cccc1C(F)(F)F)OCC(F)F)OC,0.9853114881276623
OC1CC2(O)CC(O)C(C(O2)(C)CC(C=CC=CC=CC=CCC(OC(=O)C=CC2C(C1)(C)O2)C)OC1(C)OC(C)C(C(C1O)N)O)C(=O)O,0.9925936484963287
NC(=N)NCCCCCCCCCCCCOC(=O)C,0.9931062920520995
COc1c(OC)cc(c(c1OC)C(=O)c1c(OC)ncc(c1C)Cl)C,1.0021507314318752
Cn1cc(c2cccc(c2)C(F)(F)F)c(=O)c(c1)c1ccccc1,1.0057312516417067
Nc1ccc(cc1)Cl,1.0088448353178519
[O-][N+](=O)/N=C/1\NCCN1Cc1ccc(nc1)Cl,1.0114633380715627
Cc1nnc(c(=O)n1N)c1ccccc1,1.0157743222650168
OC(=O)COc1ccc(cc1C)Cl,1.0236179201622833
IC(=C(I)I)I,1.0266458178359923
Clc1cc(Cl)cc(c1)C1(CO1)CC(Cl)(Cl)Cl,1.0286081692924771
COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC,1.0293742233117054
Clc1ccc(c(c1)Cl)NC(=O)C1(CC1)C(=O)O,1.031367642488918
COc1cc(ccc1OC)/C(=C/C(=O)N1CCOCC1)/c1ccc(cc1)Cl,1.0323677937959128
NC(=O)c1c(Cl)cccc1Cl,1.0332999123599014
Clc1ccc2c(c1)ncc(n2)Oc1ccc(cc1)OC(C(=O)OCC1CCCO1)C,1.0357262236334814
N#CC(c1ccccc1)(Cn1cncn1)CCc1ccc(cc1)Cl,1.0360328271872385
CCC(=O)Nc1ccc(c(c1)Cl)Cl,1.0375833065542488
Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccccn1,1.037952834230746
ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl,1.0444517465058447
Nc1nc(NC2CC2)nc(n1)N,1.0444950477343224
O=C1N(OCC1(C)C)Cc1ccccc1Cl,1.047226923919808
COCC(=O)Nc1cc(ccc1NC(=NC(=O)OC)NC(=O)OC)Sc1ccccc1,1.0477404634091794
CCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CCC,1.0482837317576947
N#CC(c1ccccc1)(Cn1cncn1)CCc1ccc(cc1)Cl,1.0502734235899835
CC(=O)Nc1cc(NS(=O)(=O)C(F)(F)F)c(cc1C)C,1.050863812602303
CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC,1.0565846338083325
COc1cc(ccc1OC)/C(=C/C(=O)N1CCOCC1)/c1ccc(cc1)Cl,1.0571935794041134
CCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CC(=C)C,1.0603909026446057
CCCC(=C1C(=O)CC(CC1=O)C1CCCSC1)NOCC,1.0653500770992892
CCO/N=C(\C1=C(O)CC(CC1=O)C1CCCSC1)/CCC,1.0653500770992892
O=C(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl,1.070034717984175
OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl,1.0730045445647032
ClC(SN1C(=O)c2c(C1=O)cccc2)(Cl)Cl,1.0741672736326
CCCN(c1c(cc(c(c1[N+](=O)[O-])N)C(F)(F)F)[N+](=O)[O-])CCC,1.0760827768868946
COP(=S)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,1.0792351019025128
COC(=O)Nc1cccc(c1)OC(=O)Nc1cccc(c1)C,1.0796261914480385
ClCCP(=O)(O)O,1.0806708219654175
O=C(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl,1.0823684740575847
Clc1cc(cnc1CNC(=O)c1c(Cl)cccc1Cl)C(F)(F)F,1.0855457707987952
CCOC(=O)NCCOc1ccc(cc1)Oc1ccccc1,1.086355661467734
NC(=N)NCCCCCCCCNC(=N)N,1.0914077611524307
C=CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C)C,1.0914292030286552
CC(c1cc(ccc1O)C(c1ccc(c(c1)C(C)C)O)(C)C)C,1.0968340181230818
CCSC(=O)N1CCCCCC1,1.1019882612024983
N#C/N=C(/N(Cc1ccc(nc1)Cl)C)\C,1.1046327112266383
COP(=O)(C(C(Cl)(Cl)Cl)O)OC,1.1096404686828705
CNC(=O)Oc1cccc2c1cccc2,1.1105470212498103
Clc1ccc(cc1)CN(C(=O)Nc1ccccc1)C1CCCC1,1.1190378586994414
Cn1cc(c2cccc(c2)C(F)(F)F)c(=O)c(c1)c1ccccc1,1.1196724036355312
Cn1nc(c(c1)C(=O)Nc1cccc2c1C1CCC2C1=C(Cl)Cl)C(F)F,1.1201303088977508
CCCSc1ccc2c(c1)[nH]c(n2)NC(=O)OC,1.1227611514363303
ClCCOc1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(n1)OC,1.1269178314119968
OC(C(C)(C)C)C(n1cncn1)Oc1ccc(cc1)c1ccccc1,1.130222820427892
O=C(N(C)C)Nc1cccc(c1)C(F)(F)F,1.1310207139253916
O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(c(c1)Cl)OC(C(OC(F)(F)F)F)(F)F,1.1362846674663016
CCCC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Cl,1.13636788955756
CO/N=C(\c1ccccc1CO/N=C(/c1cccc(c1)C(F)(F)F)\C)/C(=O)OC,1.138298355243177
CCN1CCN(CC1)c1cc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)O,1.1405974821668619
C#CCOS(=O)OC1CCCCC1Oc1ccc(cc1)C(C)(C)C,1.1432529892239978
COc1cc(OC)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,1.1443173332617613
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)(C)C,1.1454085716982032
CO/N=C(/c1ccccc1COc1cc(C)ccc1C)\C(=O)NC,1.1520080543334354
CSc1nnc(c(=O)n1N)C(C)(C)C,1.1549081642369436
COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1Cl,1.155665748672126
CCO/N=C(/C1=C(O)CC(CC1=O)c1c(C)cc(cc1C)C)\CC,1.1560388165278184
CCOc1ccc(cc1)C(COCc1cccc(c1)Oc1ccccc1)(C)C,1.1607797146866263
C#CCOS(=O)OC1CCCCC1Oc1ccc(cc1)C(C)(C)C,1.16083631708535
O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(c(c1F)Cl)F,1.1660755529404674
CCOc1ccc(cc1)C(COCc1cccc(c1)Oc1ccccc1)(C)C,1.1692125122974353
CSc1nnc(c(=O)n1N)C(C)(C)C,1.1726371897097654
[O-][N+](=O)NC1=NCCN1Cc1ccc(nc1)Cl,1.1772175409292547
Clc1ccccc1c1nnc(nn1)c1ccccc1Cl,1.1806206011079126
CCCCN(SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C)CCCC,1.182467683028378
O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(c(c1F)Cl)F,1.1831094015116075
CC1N(C(=O)NC2CCCCC2)C(=O)SC1c1ccc(cc1)Cl,1.1840107302272953
O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(c(c1F)Cl)F,1.1865991709300072
O=C(N(C)C)Nc1ccc(c(c1)Cl)n1nc(oc1=O)C(C)(C)C,1.187507779053734
O=C(N(C)C)Nc1cccc(c1)C(F)(F)F,1.189774204881748
COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccsc1C(=O)OC,1.1902114152572187
OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl,1.1921944677293754
CC(C1(C)N=C(NC1=O)c1nc2ccccc2cc1C(=O)O)C,1.192201228281402
O=C(NS(=O)(=O)c1c(C)cccc1C(=O)O)Nc1nc(OCC(F)(F)F)nc(n1)N(C)C,1.1940711751182476
ClC(=CC1C(C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)Cl,1.1945535170115598
CCOP(=S)(SCn1c(=O)oc2c1ccc(c2)Cl)OCC,1.1964063352286556
ClCC(=O)N(c1c(C)cccc1C)Cn1cccn1,1.198143706994319
COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC,1.2004664736572608
Clc1cc(F)c(cc1C(=O)NS(=O)(=O)N(C(C)C)C)n1c(=O)cc(n(c1=O)C)C(F)(F)F,1.2027809477033562
[O-][N+](=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],1.2044119266519366
CN(C(=S)SSC(=S)N(C)C)C,1.2049058977607419
CCNc1nc(SC)nc(n1)NC(C)(C)C,1.2065658549221894
COC(=O)c1cccc(c1S(=O)(=O)NC(=O)Nc1nc(OCC(F)(F)F)nc(n1)N(C)C)C,1.2066217621691122
O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(c(c1)Cl)OC(C(OC(F)(F)F)F)(F)F,1.2068664410308745
CNc1cnn(c(=O)c1Cl)c1cccc(c1)C(F)(F)F,1.2093982050371732
CNC(=O)ON=C(SC)C,1.2100810083310742
C=CC=CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C)C.C=CC=CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C(=O)OC)C,1.212185432936977
CC(OC(=O)C(c1ccc(cc1)Br)(c1ccc(cc1)Br)O)C,1.2165895677016367
CSc1nnc(c(=O)n1N)C(C)(C)C,1.2170546392276442
CC(OC(=O)C(c1ccc(cc1)Br)(c1ccc(cc1)Br)O)C,1.2182589824272165
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)(C)C,1.2211327542550814
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C(c1ccc(cc1)Cl)C(C)C,1.225205758260884
Nc1ncn[nH]1,1.2257239703002716
Nc1n[nH]cn1,1.2257239703002716
NC#N,1.2257239703002716
CC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Oc1ccc(cc1)Cl,1.2267915364902278
CCOC(=O)CCN(C(C)C)SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C,1.2331337601252212
CN(C(CN1c2ccccc2Sc2c1cccc2)C)C,1.2338475101405761
CCOCCN(C(=C(C)C)c1ccccc1)C(=O)CCl,1.2405588028663024
CCCN(C(=O)n1cncc1)CCOc1c(Cl)cc(cc1Cl)Cl,1.2435160355573907
Clc1ccccc1c1nnc(nn1)c1ccccc1Cl,1.2436073474297324
CCOC(=O)C(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)O,1.2473140302104877
CNC(=O)Oc1cccc(c1)N=CN(C)C,1.2479822997809782
N#CC(c1c(Cl)ccc(c1Cl)n1ncc(=O)[nH]c1=O)c1ccc(cc1)Cl,1.248543826213122
O=C(C(Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C)OCCON=C(C)C,1.2493219317505007
COc1nc(nc(n1)C)NC(=O)[N-]S(=O)(=O)c1cc(I)ccc1C(=O)OC.[Na+],1.2508978152709322
COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1Cl,1.2525804230510118
CCOC(=O)COC(=O)c1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)C(F)(F)F,1.253093479525902
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)(C)C,1.2544333907376006
O=C(c1ccc(cc1S(=O)(=O)C)C(F)(F)F)c1cnoc1C1CC1,1.2544489954403404
COCN(c1c(CC)cccc1CC)C(=O)CCl,1.2548939653344497
CCOc1ccc2c(c1)C(=CC(N2)(C)C)C,1.2578957329638771
CNC1=C(c2cccc(c2)C(F)(F)F)C(=O)C(O1)c1ccccc1,1.2580215857840296
C#CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C)C,1.2602062139183252
C#CCOS(=O)OC1CCCCC1Oc1ccc(cc1)C(C)(C)C,1.265896559378767
OC(C(Cl)(Cl)Cl)(c1ccc(cc1)Cl)c1ccc(cc1)Cl,1.2677429840395533
C=CCOC(c1ccc(cc1Cl)Cl)Cn1cncc1,1.2716218656999372
NC(=NCCCCCCCCNCCCCCCCCN=C(N)N)N,1.2721660588211523
O=C(N/C(=N\OCC1CC1)/c1c(F)c(F)ccc1C(F)(F)F)Cc1ccccc1,1.2728492955894033
CC(C(c1ccc(cc1)Cl)(Cn1ncnc1)O)C1CC1,1.2735988378970775
Clc1ccc(cc1)C(c1ccccc1Cl)(c1cncnc1)O,1.2770454101830115
O=C1N(c2cc(Cl)cc(c2)Cl)C(=O)C2(C1(C)C2)C,1.2774401112445704
O=N(=O)c1ccc(c(c1)N)C,1.279187677997853
N#CC(c1ccc(c(c1)Oc1ccccc1)F)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,1.2798406965940432
CN(C(=O)Oc1nc(nc(c1C)C)N(C)C)C,1.280188271227964
CNC(=O)Oc1cccc(c1)/N=C/N(C)C,1.2841971462426878
COCN(c1c(CC)cccc1CC)C(=O)CCl,1.2848577466043891
Cc1ccc(cc1)N(S(=O)(=O)N(C)C)SC(Cl)(Cl)F,1.285376897128516
CNC(=O)Oc1cc(C)c(c(c1)C)C,1.286098038116031
COP(=O)(C(C(Cl)(Cl)Cl)O)OC,1.286820378541783
Clc1ccc(cc1)CCC(C(C)(C)C)(Cn1cncn1)O,1.2868960417984983
CN(C(=O)Oc1nc(nc(c1C)C)N(C)C)C,1.287190413172402
CCNc1nc(c(s1)C(=O)NC(c1cccs1)C#N)CC,1.2908912329029336
C#CCN1C(=O)COc2c1cc(c(c2)F)N1C(=O)C2=C(C1=O)CCCC2,1.2941362877160807
CCSC(CC1CC(=O)C(C(=O)C1)C(=NOCC)CCC)C,1.2961242226802938
C=CCOC(c1ccc(cc1Cl)Cl)Cn1cncc1,1.2969236723843232
ClCC1CN(C(=O)C1Cl)c1cccc(c1)C(F)(F)F,1.2984147471171126
COC(=O)Nc1nc2c([nH]1)cc(cc2)Sc1ccccc1,1.3000842641666306
CN(C(=S)SSC(=S)N(C)C)C,1.3018124301338776
O=C(c1cccc(c1C(=O)NC(CS(=O)(=O)C)(C)C)I)Nc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)F,1.3025526926274749
CCC(C(=O)NCc1ccccc1)Oc1ccc(c(c1)C(F)(F)F)F,1.302657301989526
Cc1cccc(c1O)C,1.3087946941073485
CON(C(=O)Nc1ccc(cc1)Br)C,1.3165566912097522
S=C1NCCCN1,1.3169619721135797
CN(C(=S)SSC(=S)N(C)C)C,1.3202996191280358
[O-][Br](=O)=O,1.321545358579602
C[n+]1ccc(cc1)c1cc[n+](cc1)C,1.322183249787766
CC1=C(C)S(=O)(=O)CCS1(=O)=O,1.322776417451734
CCCN(C(=O)SCC)CCC,1.3229499580527195
Nc1ccc(cc1)Cl,1.3276065528189747
CCNc1nc(NC(C)C)nc(n1)Cl,1.3338191028424158
CCOC(=O)Cn1c(=O)sc2c1c(Cl)ccc2,1.3372138456888123
ClCC=CCl,1.3376388791974851
C=CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C)C,1.3407114619354228
O=C1OC(C(=O)N1Nc1ccccc1)(C)c1ccc(cc1)Oc1ccccc1,1.3428771906003532
CCN(c1nc(cc(n1)C)OP(=S)(OC)OC)CC,1.344900000029291
[O-][As](=O)([O-])[O-],1.3468840068344332
O=C1OC(C(=O)N1Nc1ccccc1)(C)c1ccc(cc1)Oc1ccccc1,1.3480148945878891
[S-]C(=S)NCCNC(=S)[S-].[Zn+2],1.3505969838253369
CC(=CC1C(C1(C)C)C(=O)OCc1coc(c1)Cc1ccccc1)C,1.3533904493269542
N#CC(c1ccc(c(c1)Oc1ccccc1)F)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,1.354479485094126
CC(Cc1ccc(cc1)C(C)(C)C)CN1CCCCC1,1.3639034458432429
OC1(Cn2ncnc2)C(CCC1(C)C)Cc1ccc(cc1)Cl,1.3650393299393615
S=C1NCCCN1,1.3661781926983205
ClC(C(SN1C(=O)C2C(C1=O)CC=CC2)(Cl)Cl)Cl,1.3668144329404721
O=C(CC(C)(C)C)OC1=C(C(=O)OC21CCCC2)c1c(C)cc(cc1C)C,1.367370643858509
C#CCOS(=O)OC1CCCCC1Oc1ccc(cc1)C(C)(C)C,1.3685663781727047
CC(N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C)C,1.369877357140688
Clc1ccc(c(c1)Cl)C1(OCCO1)Cn1cncn1,1.370111513834565
CN(C(=S)S[Zn]SC(=S)N(C)C)C,1.371508895032877
Fc1ccc(c(c1)c1ccc(c(c1)Cl)Cl)NC(=O)c1cn(nc1C(F)F)C,1.3766679947209994
CCOC(=O)C(Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C,1.3811468505131965
CNC(=O)Oc1cc(C)c(c(c1)C)SC,1.3842918746267547
CCC(=O)Nc1ccc(c(c1)Cl)Cl,1.384376054498974
CCN(C(=O)C(=C(OP(=O)(OC)OC)C)Cl)CC,1.3867609023838614
CC(N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C)C,1.386909067965439
OC1(Cn2ncnc2)C(CCC1(C)C)Cc1ccc(cc1)Cl,1.3876506550542822
CCCOC/C(=N\c1ccc(cc1C(F)(F)F)Cl)/n1cncc1,1.3926307718235211
CCCN(c1c(cc(cc1[N+](=O)[O-])S(=O)(=O)N)[N+](=O)[O-])CCC,1.3934036908207148
CNC(=S)S,1.3967148564744987
O=C(CC(C)(C)C)OC1=C(C(=O)OC21CCCC2)c1c(C)cc(cc1C)C,1.398504958795708
O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(cc1Cl)OC(C(C(F)(F)F)F)(F)F,1.3989182722159768
CCOP(=S)(Oc1nn(c(n1)Cl)C(C)C)OCC,1.3996588688637353
OC(=O)COc1cc(Cl)c(cc1Cl)Cl,1.4073569873961393
CC(C(c1cncnc1)(c1ccc(cc1)OC(F)(F)F)O)C,1.411773125869789
OC(=O)C(Oc1ccc(cc1Cl)Cl)C,1.4169486617141684
CCOC(=O)CSc1nc(nn1C(=O)N(C)C)C(C)(C)C,1.4183119750954112
Clc1ccc(cc1)c1ccccc1NC(=O)c1cccnc1Cl,1.4216129602890024
CC(OP(=S)(OC(C)C)SCCNS(=O)(=O)c1ccccc1)C,1.4232556456725831
Clc1c(O)c(Cl)c(c(c1Cl)Cl)Cl,1.425436324184721
CCN(c1c(cc(cc1N(=O)=O)C(F)(F)F)N(=O)=O)CC(=C)C,1.4258760926640153
OC(C(C)(C)C)C(n1ncnc1)Cc1ccc(cc1)Cl,1.4266525603430633
CC(Cc1ccccc1)N,1.4320213492988039
C#CCOC(c1ccc(cc1)Cl)C(=O)NCCc1ccc(c(c1)OC)OCC#C,1.4329265583997897
CCOCn1c(c2ccc(cc2)Cl)c(c(c1C(F)(F)F)Br)C#N,1.4341521813264824
N#CC(c1c(Cl)ccc(c1Cl)n1ncc(=O)[nH]c1=O)c1ccc(cc1)Cl,1.434187587211136
CC(NC(=O)N1CC(=O)N(C1=O)c1cc(Cl)cc(c1)Cl)C,1.4395553268068126
CCC(C(=O)OC1=C(C(=O)OC21CCCCC2)c1ccc(cc1Cl)Cl)(C)C,1.4462747066967268
CCCSP(=S)(Oc1ccc(cc1)SC)OCC,1.4477577716432979
O=C(C1=C(C)OCCS1)Nc1ccccc1,1.4578096795663429
ClC(=CCOc1cc(Cl)c(c(c1)Cl)OCCCOc1ccc(cn1)C(F)(F)F)Cl,1.458183705956146
CN(C=Nc1ccc(cc1C)C)C=Nc1ccc(cc1C)C,1.4588702587486133
ClC(C(SN1C(=O)C2C(C1=O)CC=CC2)(Cl)Cl)Cl,1.4637193927516177
CCCCC(c1ccc(cc1)Cl)(Cn1cncn1)C#N,1.4649211813101468
CN(C=Nc1ccc(cc1C)C)C=Nc1ccc(cc1C)C,1.4674749278877894
CN(/C=N/c1ccc(cc1C)C)/C=N/c1ccc(cc1C)C,1.4674749278877894
CCCCC(c1ccc(cc1)Cl)(Cn1cncn1)C#N,1.467564135493289
CCCCC(c1ccc(cc1)Cl)(Cn1cncn1)C#N,1.4693393488275133
Fc1ccc(cc1)C(c1ccccc1F)(Cn1cncn1)O,1.4703900101310987
CS/C(=N/OC(=O)N(SN(C(=O)O/N=C(/SC)\C)C)C)/C,1.4704028387745753
N#Cc1sc2=c(sc1C#N)c(=O)c1c(c2=O)cccc1,1.4717648285027363
CCOCn1c(c2ccc(cc2)Cl)c(c(c1C(F)(F)F)Br)C#N,1.47670887081321
Clc1ccc(c(c1)Cl)C1(OCCO1)Cn1cncn1,1.4773210761437898
CCOC(=O)NCCOc1ccc(cc1)Oc1ccccc1,1.4790581780219383
FC(=C(F)F)CCS(=O)(=O)c1ncc(s1)Cl,1.4826589214770083
CCC1CCCC(OC2CCC(C(O2)C)N(C)C)C(C)C(=O)C2C(CC(=O)O1)C1CCC3C(C1C2)CC(C3)OC1CC(C)C(C(C1OC)OC)OC,1.4854920926979605
CN1CN(C)CSC1=S,1.4859838195993507
COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1ncccc1C(F)(F)F,1.4860902121726176
CC(C(=O)O)Oc1cc(Cl)c(cc1Cl)Cl,1.4910530201781254
CCCn1c(OCCC)nc2c(c1=O)cc(cc2)I,1.4915914964033394
Fc1ccc(cc1)NC(=O)c1cccc(n1)Oc1cccc(c1)C(F)(F)F,1.4927514860812132
CCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CC(=C)C,1.4934002719580364
Cc1ccc2c(c1)nc1c(n2)sc(=O)s1,1.4947007586050614
Fc1ccc(cc1)[Si](c1ccc(cc1)F)(Cn1cncn1)C,1.4988448473794327
COc1nc(C)nc(n1)N(C(=O)NS(=O)(=O)c1ccccc1C(=O)OC)C,1.500120551043568
CC(C(c1cncnc1)(c1ccc(cc1)OC(F)(F)F)O)C,1.5033332211199513
COc1nc(Oc2cccc(c2C(=O)[O-])Oc2nc(OC)cc(n2)OC)nc(c1)OC.[Na+],1.5156004979460933
CN(C(=S)SSC(=S)N(C)C)C,1.5176696240691985
Clc1c(ccc(c1N)[N+](=O)[O-])Oc1ccccc1,1.5196049539832321
COC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)OC,1.521087361070694
Nc1ncn[nH]1,1.5267466629082658
Nc1n[nH]cn1,1.5267466629082658
CC(N1/C(=N/C(C)(C)C)/SCN(C1=O)c1ccccc1)C,1.5306788154847526
CCOC(=O)c1cn2nc(cc2nc1C)OP(=S)(OCC)OCC,1.530737774822598
Fc1ccc(c(c1)c1ccc(c(c1)Cl)Cl)NC(=O)c1cn(nc1C(F)F)C,1.5344387080305875
C#CCOC(=O)C(Oc1ccc(cc1)Oc1ncc(cc1F)Cl)C,1.5351529104366932
CCOC(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C)Cl,1.5359130396208096
N#Cc1cc(Br)c(c(c1)Br)O,1.5392524581558031
CCO[C@H]1[C@@H](OC)[C@H](O[C@@H]2C[C@@H]3[C@@H](C2)[C@@H]2C=C4[C@H]([C@@H]2CC3)CC(=O)O[C@@H](CC)CCC[C@@H]([C@H](C4=O)C)O[C@H]2CC[C@@H]([C@H](O2)C)N(C)C)O[C@H]([C@@H]1OC)C,1.539447927138442
N#CC(c1ccc(c(c1)Oc1ccccc1)F)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,1.5408639423123824
CCOP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OCC,1.5447895722241949
CC(N1C(=NC(C)(C)C)SCN(C1=O)c1ccccc1)C,1.5453990229022387
COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC,1.5472631473134424
CC(N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C)C,1.5493198912379038
CSC(=NOC(=O)N(SN(C(=O)ON=C(SC)C)C)C)C,1.549581519063189
CS/C(=N/OC(=O)N(SN(C(=O)O/N=C(/SC)\C)C)C)/C,1.549581519063189
OC(=O)C(Oc1ccc(cc1)Oc1nc2c(o1)cc(cc2)Cl)C,1.550259406220714
C=CC1(C)OC(=O)N(C1=O)c1cc(Cl)cc(c1)Cl,1.5534473004973242
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(C(F)(F)F)Cl,1.5561583389288367
[O-][N+](=O)c1cc(C(=O)N)c(c(c1)[N+](=O)[O-])C,1.5566118285721733
CCOc1cc(ccc1N(=O)=O)Oc1ccc(cc1Cl)C(F)(F)F,1.558351987474352
N#CC(c1ccc(c(c1)Oc1ccccc1)F)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,1.558603397145632
Cc1nn(c(c1C(=O)c1ccc(cc1S(=O)(=O)C)C(F)(F)F)O)C,1.5590909179347823
ClC1C(Cl)C(Cl)C(C(C1Cl)Cl)Cl,1.5605567725507532
CSCC(=NOC(=O)NC)C(C)(C)C,1.5609358621389502
CCOC(=O)c1ccccc1C1=c2cc(C)c(cc2=[O]c2c1cc(C)c(c2)NCC)NCC,1.5677685143097857
O=S1OCC2C(CO1)C1(C(C2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,1.56812182123316
O=C(C1C(C1(C)C)C=C(Cl)Cl)OCc1c(F)c(F)cc(c1F)F,1.5695540488911521
O=C(N(C)C)Nc1ccc(c(c1)Cl)Cl,1.571654591815115
CCOC(=O)CCN(C(C)C)SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C,1.5719462386203693
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl,1.5738792912533845
CC(OC(=O)C(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)O)C,1.5762300113736614
CCNc1nc(NCC)nc(n1)Cl,1.58034158903942
O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1)Cl,1.5892227666227903
O=C(N(C)C)Nc1ccc(c(c1)Cl)Cl,1.5893745854018753
Clc1ccccc1CC(C1(Cl)CC1)(Cn1cncn1)O,1.5913361259361893
OC(=O)C(Oc1ccc(cc1C)Cl)C,1.5913530743442346
O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1)Cl,1.600222475511201
CON(C(=O)Nc1ccc(c(c1)Cl)Cl)C,1.6004820295651263
CCOC(=O)C(Oc1ccc(cc1)Oc1nc2c(o1)cc(cc2)Cl)C,1.6042019938366077
CCNc1nc(NCC)nc(n1)Cl,1.6056358873728713
O=C(NC(=O)c1ccccc1Cl)Nc1ccc(cc1)OC(F)(F)F,1.6278800180616648
OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C,1.6296719922204896
CCCCCCCCCCCCC1=C(OC(=O)C)C(=O)c2c(C1=O)cccc2,1.6306542448653294
COC(=O)N(c1ccccc1COc1ccn(n1)c1ccc(cc1)Cl)OC,1.6343809977454966
CNC(=O)ON=C(C(=O)N(C)C)SC,1.6419889676679056
CSC1=NC(C(=O)N1Nc1ccccc1)(C)c1ccccc1,1.6420651529995463
CN(C(=S)SSC(=S)N(C)C)C,1.6429995095590777
OC(=O)COc1ccc(cc1Cl)Cl,1.6454882002557272
CNC(=O)Oc1cccc2c1OC(C2)(C)C,1.6459107778477526
O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1)Cl,1.6472195324286747
CNC(=O)ON=C(C(=O)N(C)C)SC,1.6507613373118732
CN1CN(C)CSC1=S,1.6539601434301947
CNC(=O)CSP(=S)(OC)OC,1.6613443344212997
Clc1cccc(c1)c1ccccc1,1.6736026866528875
c1cc[n+]2c(c1)c1cccc[n+]1CC2,1.6743201731565742
ClC=C,1.6819157859967353
CCP(=S)(Sc1ccccc1)OCC,1.6925467518283757
N#Cc1sc2=c(sc1C#N)c(=O)c1c(c2=O)cccc1,1.6936178678498022
CCOc1snc(n1)C(Cl)(Cl)Cl,1.6946486305533763
C[n+]1ccc(cc1)c1cc[n+](cc1)C,1.6960699357246314
OC(=O)COc1ccc(cc1C)Cl,1.7003184083376452
CCCN(C(=O)n1cncc1)CCOc1c(Cl)cc(cc1Cl)Cl,1.7008851163994632
CCO/N=C(\C1=C(O)CC(CC1=O)C1CCCSC1)/CCC,1.706328134457621
CCc1nn(c(c1Cl)C(=O)NCc1ccc(cc1)C(C)(C)C)C,1.7106563548813654
CCN(C(=O)SCc1ccc(cc1)Cl)CC,1.7122878245565132
OC(=O)C(CCP(=O)(O)C)N,1.7139254461244264
CNC(=O)ON=C(C(=O)N(C)C)SC,1.718739312944987
CN1CCC(CC1)C1CCN(CC1)C,1.7189666327522726
CCOP(=S)(Oc1cc(C)nc(n1)C(C)C)OCC,1.7199454660267528
O=C(C1C(C1(C)C)C=C(C(F)(F)F)Cl)OCc1cccc(c1C)c1ccccc1,1.7231247788684516
N#Cc1c(Cl)cccc1Cl,1.7304170139333868
Fc1ccc(cc1)C1(Cn2cncn2)OC1c1ccccc1Cl,1.7400479400777458
COCC(N(c1c(C)csc1C)C(=O)CCl)C,1.7416261510318811
N#CC(c1ccc(c(c1)Oc1ccccc1)F)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,1.7627076624325413
CC(NC(=S)[S])CNC(=S)S[Zn],1.7630850363724944
CC(NC(=S)[S])CNC(=S)S[Zn],1.7630850363724944
ClC1C(Cl)C(Cl)C(C(C1Cl)Cl)Cl,1.7646735975166132
BrC1COC(C1)(Cn1cncn1)c1ccc(cc1Cl)Cl,1.764850463526756
CCOP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OCC,1.7666484723467257
CCN(C(=O)SCc1ccc(cc1)Cl)CC,1.777777917639287
CCOP(=S)(Oc1cc(C)nc(n1)C(C)C)OCC,1.7843888703871507
ClC1C(Cl)C(Cl)C(C(C1Cl)Cl)Cl,1.7915317697343827
CCCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CC,1.7930123052435918
ClCC1CN(C(=O)C1Cl)c1cccc(c1)C(F)(F)F,1.7953374882517812
Fc1ccc(cc1)[Si](c1ccc(cc1)F)(Cn1cncn1)C,1.7998885403761986
ClC1C(Cl)C(Cl)C(C(C1Cl)Cl)Cl,1.8008758853766749
c1cc[n+]2c(c1)c1cccc[n+]1CC2,1.8014803697588322
O[Sn](C1CCCCC1)(C1CCCCC1)C1CCCCC1,1.8074883004964988
CC(C1C2CCC1c1c2cccc1NC(=O)c1cn(nc1C(F)F)C)C,1.8152234217491505
N#CN=S(=O)(C(c1ccc(nc1)C(F)(F)F)C)C,1.8155357106530094
Fc1ccc(cc1)C1(Cn2cncn2)OC1c1ccccc1Cl,1.8192148650265614
Clc1cc(cnc1CCNC(=O)c1ccccc1C(F)(F)F)C(F)(F)F,1.820333331309502
N#CC(c1cc(C)c(cc1Cl)NC(=O)c1cc(I)cc(c1O)I)c1ccc(cc1)Cl,1.8215698600522623
N#Cc1c(Cl)c(C#N)c(c(c1Cl)Cl)Cl,1.8226655444942998
N#CC(c1ccc(cc1)Oc1ccccc1)OC(=O)C1C(C1(C)C)/C=C\C(=O)OC(C(F)(F)F)C(F)(F)F,1.8250684064715574
CCCCC(c1ccc(cc1Cl)Cl)(Cn1cncn1)O,1.825126471112583
CC(c1ccc(cc1)CCOc1ncnc2c1cccc2)(C)C,1.8330669051288462
ClC1CC2C(C1Cl)C1(C(C2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,1.8343995974825886
N#Cc1c(Cl)cccc1Cl,1.8376148441427587
CC(Oc1cc(c(cc1Cl)Cl)n1nc(oc1=O)C(C)(C)C)C,1.8391414693200085
CCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CC1CC1,1.8417279953479162
CCNc1nc(NC(C)C)nc(n1)Cl,1.8424525744221922
CON(C(=O)Nc1ccc(cc1)Br)C,1.8429362996173768
CC(c1ccccc1)(C[Sn](O[Sn](CC(c1ccccc1)(C)C)(CC(c1ccccc1)(C)C)CC(c1ccccc1)(C)C)(CC(c1ccccc1)(C)C)CC(c1ccccc1)(C)C)C,1.846185135655471
CS/C(=N/OC(=O)N(SN(C(=O)O/N=C(/SC)\C)C)C)/C,1.850596120491417
O=C(C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl)OCc1c(F)c(F)c(c(c1F)F)C,1.8510890068906436
CCN(C(=O)SCC)C1CCCCC1,1.8560488835760365
NC1=C(Cl)C(=O)c2c(C1=O)cccc2,1.8563607647254567
N#CC(c1ccc(c(c1)Oc1ccccc1)F)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,1.8596176754405975
ClC1C(Cl)C(Cl)C(C(C1Cl)Cl)Cl,1.8615709799939963
CNP(=O)(Oc1ccc(cc1Cl)C(C)(C)C)OC,1.8628991954208771
O=c1c(Cl)c(SCc2ccc(cc2)C(C)(C)C)cnn1C(C)(C)C,1.863247733673337
C[n+]1ccc(cc1)c1cc[n+](cc1)C,1.8635648295416174
COP(=O)(NC(=O)C)SC,1.8648991662342804
CCCN(C(=O)n1cncc1)CCOc1c(Cl)cc(cc1Cl)Cl,1.8683813356508745
CSc1ccc(cc1C)OP(=S)(OC)OC,1.8705356902176227
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C(c1ccc(cc1)OC(F)F)C(C)C,1.876475019057268
CN1CCC(CC1)C1CCN(CC1)C,1.8864577200460362
COc1ccc(cc1NNC(=O)OC(C)C)c1ccccc1,1.8865580460346785
CC1C=CC=C2COC3C2(O)C(C=C(C3O)C)C(=O)OC2CC(CC=C(C1)C)OC1(C2)CCC(C(O1)C)C,1.890691494753251
CCC1CCCC(OC2CCC(C(O2)C)N(C)C)C(C)C(=O)C2=CC3C(C2CC(=O)O1)C=C(C)C1C3CC(C1)OC1OC(C)C(C(C1OC)OC)OC,1.895001050700366
Clc1ccc(c(c1)Cl)n1c(nc2c(c1=O)cc(cc2)F)n1cncn1,1.896880746454286
COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC,1.8994226972104038
N#Cc1c(Cl)c(C#N)c(c(c1Cl)Cl)Cl,1.9062282185012702
Clc1cc(Cl)c(c(c1O)Cc1c(O)c(Cl)cc(c1Cl)Cl)Cl,1.9105187973125632
O=S1OCC2C(CO1)C1(C(C2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,1.910554141726166
S=C1NCCN1,1.9123605316873589
CCOP(=S)(Oc1ccc(cc1)N(=O)=O)OCC,1.92020393882764
O=C(C1C(C1(C)C)C=C(C(F)(F)F)Cl)OCc1cccc(c1C)c1ccccc1,1.9272355789492495
O=C(C1C(C1(C)C)C=C(C(F)(F)F)Cl)OCc1cccc(c1C)c1ccccc1,1.9272355789492495
Clc1cc(ccc1Oc1ccc(c(c1)C(=O)NS(=O)(=O)C)[N+](=O)[O-])C(F)(F)F,1.9432475594325607
O=C(C(Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C)OCCON=C(C)C,1.948307358201963
CCCSP(=O)(SCCC)OCC,1.953075825769965
O=C(C1C(C1(C)C)C=C(C(F)(F)F)Cl)OCc1c(F)c(F)c(c(c1F)F)C,1.9591604053146598
Clc1ccc(cc1)C(c1ccccc1Cl)(c1cncnc1)O,1.9637704559137055
CCOC(=O)c1cn2nc(cc2nc1C)OP(=S)(OCC)OCC,1.9700888950875557
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Br)Br,1.971062922929322
CCSC(=O)N1CCCCCC1,1.9715100834781099
CCOC(=O)Nc1cccc(c1)OC(=O)Nc1ccccc1,1.9724057881737742
CC(Oc1cc(c(cc1Cl)Cl)n1nc(oc1=O)C(C)(C)C)C,1.9817989775037086
COP(=O)(OC=C(Cl)Cl)OC,1.98263271644647
FC(c1ccc(cc1)C=CC(=NN=C1NCC(CN1)(C)C)C=Cc1ccc(cc1)C(F)(F)F)(F)F,1.9951629390616903
CCCSP(=O)(SCCC)OCC,1.997013659143215
CON(C(=O)Nc1ccc(c(c1)Cl)Cl)C,1.9984393473574271
OCC(CCl)O,2.002124545188498
c1scc(n1)c1nc2c([nH]1)cccc2,2.002701007590486
CCOC(=O)C(Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C,2.0032782361791086
CC1(C)CNC(=NC1)NN=C(C=Cc1ccc(cc1)C(F)(F)F)C=Cc1ccc(cc1)C(F)(F)F,2.003948257998995
Cc1c(ccc(c1C1=NOCC1)S(=O)(=O)C)C(=O)c1cnn(c1O)C,2.004066604522654
N#C/N=C\1/SCCN1Cc1ccc(nc1)Cl,2.0047071116780755
CCCCOC(=O)C(Oc1ccc(cc1)Oc1ccc(cn1)C(F)(F)F)C,2.0049706079134992
COP(=O)(OC=C(Cl)Cl)OC,2.011905013931404
CCCCOC(=O)C(Oc1ccc(cc1)Oc1ccc(cc1F)C#N)C,2.016567677914724
COP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OC,2.0223586898833017
C=CC1(C)OC(=O)N(C1=O)c1cc(Cl)cc(c1)Cl,2.0251706470154947
CON(C(=O)Nc1ccc(cc1)Cl)C,2.0307005985741227
COP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OC,2.031451678702528
COCN(c1c(CC)cccc1CC)C(=O)CCl,2.033046777818888
CCCN(C(=O)SCc1ccccc1)CCC,2.03861687869583
Clc1ccc(c(c1)Cl)C(Cn1cncn1)COC(C(F)F)(F)F,2.0392344018800066
CSC(=O)c1c(nc(c(c1CC(C)C)C(=O)SC)C(F)(F)F)C(F)F,2.0436874691588054
[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,2.0552459785864565
CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OCC,2.0663406481945277
COP(=S)(SCn1nnc2c(c1=O)cccc2)OC,2.0701418925937802
Clc1cc(cnc1Nc1c(cc(c(c1[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,2.076476215866559
Clc1ccc(cc1)OS(=O)(=O)c1ccc(cc1)Cl,2.083735603129189
Clc1cc(cnc1Nc1c(cc(c(c1[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,2.085477026124033
CCN(c1nc(cc(n1)C)OP(=S)(OC)OC)CC,2.086832774211438
CN(C(=S)S[Zn]SC(=S)N(C)C)C,2.087517551170895
COP(=S)(SCn1nnc2c(c1=O)cccc2)OC,2.089882745849489
N#Cc1nn(c(c1S(=O)CC)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,2.0938643699223247
Fc1ccc(cc1)C(c1ccccc1Cl)(c1cncnc1)O,2.100015437450609
CCCCOC(=O)C(Oc1ccc(cc1)Oc1ccc(cn1)C(F)(F)F)C,2.106487904221944
Fc1ccc(cc1)[Si](c1ccc(cc1)F)Cn1cncn1,2.1159129945213895
Clc1ccc(cc1)C(c1ccccc1Cl)(c1cncnc1)O,2.1221450940410347
CCNc1nc(Cl)nc(n1)NC(C)(C)C,2.130733068630403
Cc1nn(c(c1C=NOCc1ccc(cc1)C(=O)OC(C)(C)C)Oc1ccccc1)C,2.13623711914471
O=C(N(C)C)Nc1ccc(c(c1)Cl)Cl,2.137081876700897
O=S1OCC2C(CO1)C1(C(C2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,2.1471176164896835
Cc1nn(c(c1/C=N/OCc1ccc(cc1)C(=O)OC(C)(C)C)Oc1ccccc1)C,2.1476664224397912
COP(=S)(SCn1nnc2c(c1=O)cccc2)OC,2.149323138641405
Clc1ccc(cc1)C(c1ccccc1Cl)(c1cncnc1)O,2.1583590177532916
CCOP(=S)(SCSC(C)(C)C)OCC,2.159009899464302
CCNc1nc(Cl)nc(n1)NC(C)(C)C,2.1597809534601558
CCN(c1nc(cc(n1)C)OP(=S)(OC)OC)CC,2.1625567716931373
COC(=O)N(C(=O)N1COC2(C(=N1)c1ccc(cc1C2)Cl)C(=O)OC)c1ccc(cc1)OC(F)(F)F,2.1661965219008414
O=N(=O)N1CN(CN(C1)N(=O)=O)N(=O)=O,2.1704903882021958
CNC(=O)Oc1cc(C)c(c(c1)C)N(C)C,2.170818490231342
OC(C(Cl)(Cl)Cl)(c1ccc(cc1)Cl)c1ccc(cc1)Cl,2.170831362029858
COc1sc(=O)n(n1)CSP(=S)(OC)OC,2.179450456028215
CCP(=S)(Sc1ccccc1)OCC,2.192857502539446
COP(=O)(SC)N,2.1953767727402536
ClCC(N1C(=O)c2c(C1=O)cccc2)SP(=S)(OCC)OCC,2.1973836067160732
COC(=O)Nc1nc2c([nH]1)cc(cc2)S(=O)c1ccccc1,2.197760066703943
Fc1ccc(cc1)[Si](c1ccc(cc1)F)(Cn1cncn1)C,2.197821700327843
ClC([N+](=O)[O-])(Cl)Cl,2.2158393487780885
Clc1ccc(cc1)C(c1ccccc1Cl)(c1cncnc1)O,2.2190565454174904
OC(C(Cl)(Cl)Cl)(c1ccc(cc1)Cl)c1ccc(cc1)Cl,2.22634517935135
COc1sc(=O)n(n1)CSP(=S)(OC)OC,2.244956432365732
COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC,2.2462254954430265
CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C,2.251501873386263
CC(Cc1ccc(cc1)C(C)(C)C)CN1CC(C)OC(C1)C,2.2516879065790425
CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OCC,2.260158776826446
CCOP(=S)(SCn1c(=O)oc2c1ccc(c2)Cl)OCC,2.2645927430857946
CCNc1nc(Cl)nc(n1)NC(C)(C)C,2.2677590743838145
COc1sc(=O)n(n1)CSP(=S)(OC)OC,2.276363751548955
CNC(=O)Oc1cccc2c1OC(C2)(C)C,2.276700340769475
COP(=O)(OC(C(Br)(Cl)Cl)Br)OC,2.2796504759139355
CCOP(=S)(OCC)SCSP(=S)(OCC)OCC,2.2838380008263486
CCNc1nc(nc(n1)Cl)NC(C#N)(C)C,2.2845565889047834
CCN(C(=O)C(=C(OP(=O)(OC)OC)C)Cl)CC,2.300578564106544
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C(C(C)C)Nc1ccc(cc1Cl)C(F)(F)F,2.303556236861001
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Br)Br,2.3055264253989747
CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C,2.305860052357369
CCOP(=S)(Oc1cc(C)nc(n1)C(C)C)OCC,2.3072764272991098
N#CC(c1ccc(c(c1)Oc1ccccc1)F)OC(=O)C1C(C1(C)C)/C=C(/c1ccc(cc1)Cl)\Cl,2.309954619710552
CCOP(=S)(Oc1ccc2c(c1)oc(=O)c(c2C)Cl)OCC,2.3291791803052426
CCOP(=S)(OCC)SCSP(=S)(OCC)OCC,2.3295964190287313
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C(C(Br)(Br)Br)Br,2.3457079184197034
Clc1cccc(n1)C(Cl)(Cl)Cl,2.363431871892868
Clc1nc(nc(n1)Cl)Nc1ccccc1Cl,2.379457960150401
CCOP(=O)(OC(=CCl)c1ccc(cc1Cl)Cl)OCC,2.3796869305976593
CCOP(=O)(O/C(=C/Cl)/c1ccc(cc1Cl)Cl)OCC,2.3796869305976593
CCOP(=S)(Oc1ncn(n1)c1ccccc1)OCC,2.3820356307764845
COc1sc(=O)n(n1)CSP(=S)(OC)OC,2.3835770037343176
CCCCSP(=O)(SCCCC)SCCCC,2.4007284258395325
CCc1nn(c(c1Cl)C(=O)NCc1ccc(cc1)Oc1ccc(cc1)C)C,2.408089899068857
OC(=O)COc1nc(Cl)c(cc1Cl)Cl,2.4090356263428507
O[Sn](C1CCCCC1)(C1CCCCC1)C1CCCCC1,2.4426251517586928
CNC(=O)Oc1cccc2c1OC(O2)(C)C,2.4456562348692845
CCOP(=S)(Oc1ccc2c(c1)oc(=O)c(c2C)Cl)OCC,2.4732602189766197
Fc1ccc(cc1)N(C(=O)COc1nnc(s1)C(F)(F)F)C(C)C,2.4811177240761255
COP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OC,2.5085682643170304
C1CCN2C(C1)C1CCCCN1CC2,2.5250847639672274
C1CCN2C(C1)C1CCCCN1CC2,2.532628712352521
CCOP(=S)(OCC)SCSc1ccc(cc1)Cl,2.535123128541814
CCOP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OCC,2.544789572224195
COC1CC(OC2C(C)C=CC=C3COC4C3(O)C(C=C(C4O)C)C(=O)OC3CC(CC=C2C)OC2(C3)C=CC(C(O2)C(C)C)C)OC(C1OC1CC(OC)C(C(O1)C)NC(=O)C)C,2.556345932387095
COC(=O)C(Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C,2.574873529491226
COc1sc(=O)n(n1)CSP(=S)(OC)OC,2.5773937472129362
O[Sn](C1CCCCC1)(C1CCCCC1)C1CCCCC1,2.585645126657133
CSc1ccc(cc1C)OP(=S)(OC)OC,2.587220359179703
OC(=O)c1ccccc1.CCC(C1OC2(C=CC1C)OC1CC=C(C)C(OC3CC(OC)C(C(O3)C)OC3CC(OC)C(C(O3)C)NC)C(C)C=CC=C3C4(C(C(=O)OC(C2)C1)C=C(C)C(C4OC3)O)O)C,2.605618372320464
S=C1NCCN1,2.611330536023378
O=C1CCCC(=O)C1C(=O)c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C,2.6230764755819704
CO[C@H]1C[C@H](O[C@H]2[C@@H](C)C=CC=C3CO[C@H]4[C@]3(O)[C@@H](C=C([C@H]4O)C)C(=O)O[C@H]3C[C@@H](CC=C2C)O[C@]2(C3)C=C[C@@H]([C@H](O2)[C@H](CC)C)C)O[C@H]([C@@H]1O[C@H]1C[C@H](OC)[C@H]([C@@H](O1)C)O)C,2.640031784174095
S=C1NCCN1,2.647547338246984
CCOP(=S)(Oc1ccc2c(c1)oc(=O)c(c2C)Cl)OCC,2.656532322530736
COc1sc(=O)n(n1)CSP(=S)(OC)OC,2.6742996570840143
COP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OC,2.67993684040502
CCCSP(=O)(SCCC)OCC,2.685458670870119
COP(=O)(SC)N,2.687209307853558
CNC(=O)C=C(OP(=O)(OC)OC)C,2.6954017736563625
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)[C@H](C(C)C)Nc1ccc(cc1Cl)C(F)(F)F,2.7014962455330385
COP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OC,2.7213378390900194
CNC(=O)CCSCCSP(=O)(OC)OC,2.7260038862407203
ClC1C2(Cl)C3C4C5C1(Cl)C(C2(Cl)C5C3C1C4O1)(Cl)Cl,2.7357253846684157
C1CCC(CC1)[Sn](n1ncnc1)(C1CCCCC1)C1CCCCC1,2.7420815496859414
COP(=S)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,2.780101260955034
CSc1ccc(cc1C)OP(=S)(OC)OC,2.7913436994927525
COC(=O)C=C(OP(=O)(OC)OC)C,2.8064580114337825
COC(=O)/C=C(/OP(=O)(OC)OC)\C,2.8064580114337825
CCOc1cc(nc(n1)CC)OP(=S)(OC)OC,2.8125920975774465
CCSCCSP(=O)(OC)OC,2.8181849850005256
CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C,2.819186224245603
CCOP(=S)(Oc1ccccc1C(=O)OC(C)C)NC(C)C,2.839351425563838
CCOP(=S)(Oc1ccc(cc1)N(=O)=O)OCC,2.84103473961659
O=C1CCCC(=O)C1C(=O)c1ccc(cc1[N+](=O)[O-])S(=O)(=O)C,2.849366346253572
CCOP(=O)(N1CCSC1=O)SC(CC)C,2.8725388374884626
ClC12C(Cl)(Cl)C3(C4(C1(Cl)C1(C2(Cl)C3(C4(C1(Cl)Cl)Cl)Cl)Cl)Cl)Cl,2.8917394950235265
ClC1CC2C(C1Cl)C1(C(C2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,2.9135689793436312
O=C1CCCC(=O)C1C(=O)c1ccc(cc1Cl)S(=O)(=O)C,2.9148164919472213
COC1CC(OC2C(C)C=CC=C3COC4C3(O)C(C=C(C4O)C)C(=O)OC3CC(CC=C2C)OC2(C3)C=CC(C(O2)C(CC)C)C)OC(C1OC1CC(OC)C(C(O1)C)O)C.COC1CC(OC(C1OC1CC(OC)C(C(O1)C)O)C)OC1C(C)C=CC=C2COC3C2(O)C(C=C(C3O)C)C(=O)OC2CC(CC=C1C)OC1(C2)C=CC(C(O1)C(C)C)C,2.9375684468373877
COP(=O)(SCCS(=O)(=O)CC)OC,2.9416499077893463
COP(=S)(SCn1nnc2c(c1=O)cccc2)OC,2.9451954997790453
COC1CC(OC2C(C)C=CC=C3COC4C3(O)C(C=C(C4O)C)C(=O)OC3CC(CC=C2C)OC2(C3)C=CC(C(O2)C(C)C)C)OC(C1OC1CC(OC)C(C(O1)C)NC(=O)C)C,2.9542859410591324
CNC(=O)CSP(=S)(OC)OC,2.962374330085281
Clc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,2.992124256232415
ClC1C=CC2C1C1(Cl)C(=C(C2(C1(Cl)Cl)Cl)Cl)Cl,2.9922948856352196
OC(=O)c1ccccc1.CCC(C1OC2(C=CC1C)OC1CC=C(C)C(OC3CC(OC)C(C(O3)C)OC3CC(OC)C(C(O3)C)NC)C(C)C=CC=C3C4(C(C(=O)OC(C2)C1)C=C(C)C(C4OC3)O)O)C,3.003562759689381
COP(=S)(Oc1ccc(cc1)N(=O)=O)OC,3.0223586898833017
CCOP(=O)(SC(CC)C)SC(CC)C,3.034055505212864
CCS(=O)CCSP(=O)(OC)OC,3.0490123894936456
CNC(=O)CSP(=S)(OC)OC,3.0592942995229597
c1ccc(cc1)[Sn](c1ccccc1)c1ccccc1,3.066963437904847
CCOP(=O)(SC(CC)C)SC(CC)C,3.085640973700997
CCSCCSP(=S)(OCC)OCC,3.095966448265008
CSc1ccc(cc1C)OP(=S)(OC)OC,3.14352487453815
COP(=O)(SC)N,3.1496172391186557
ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl,3.151656905172596
ClC1C=CC2C1C1(Cl)C(=C(C2(C1(Cl)Cl)Cl)Cl)Cl,3.1741391562322345
ClC1CC2C(C1Cl)C1(C(C2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,3.181187083707245
ClC1=C(Cl)C2(C(C1(Cl)C1C2C2CC1C1C2O1)(Cl)Cl)Cl,3.1828843613117277
OC1CCCCCc2cc(O)cc(c2C(=O)OC(CCC1)C)O,3.207356212694859
CCSCSP(=S)(OCC)OCC,3.211485180279816
ClC1CC2C(C1Cl)C1(C(C2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,3.2146060934806684
COC(=O)C(Oc1ccc(cc1)Oc1ccc(cc1Cl)Cl)C,3.2319615946008633
CNC(=O)ON=CC(SC)(C)C,3.279352906359489
ClC1C2OC2C2C1C1(Cl)C(=C(C2(C1(Cl)Cl)Cl)Cl)Cl,3.2892735261180657
CCSCCSP(=S)(OCC)OCC,3.438385878959815
CCOP(=S)(SCSC(C)(C)C)OCC,3.4600461583436033
ClC1=C(Cl)C2(C(C1(Cl)C1C2C2CC1C1C2O1)(Cl)Cl)Cl,3.483914356975709
OC(=O)C(Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C,3.558351987474352
ClC1=C(Cl)C2(C(C1(Cl)C1C2C2CC1C1C2O1)(Cl)Cl)Cl,3.580821061438942
CCOP(=S)(SCSC(C)(C)C)OCC,3.68189490795996
Clc1ccc2c(c1)[n+]([O-])nc(n2)n1cncc1,3.6948421712135144
CCOP(=S)(SCSC(C)(C)C)OCC,3.7610761540075845
CCSCCSP(=S)(OCC)OCC,3.8363318462173313
N#Cc1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,3.8624876468778706
N#Cc1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,3.8697627521147706
ClC1=C(Cl)C2(C(C1(Cl)C1C2C2CC1C1C2O1)(Cl)Cl)Cl,3.8818676000790955
ClC1C2OC2C2C1C1(Cl)C(=C(C2(C1(Cl)Cl)Cl)Cl)Cl,4.192363513110009
ClC1=C(Cl)C2(C(C1(Cl)C1C2C2CC1C=C2)(Cl)Cl)Cl,4.562186041152654
ClC12C3C4(C(C1(Cl)Cl)(C1(C2(C3(Cl)C(C41Cl)(Cl)Cl)Cl)Cl)Cl)Cl,4.7084979508104