0 B14R1.623 CCNC(=O)C1=CC=CC=C1[N+](=O)[O-] CS-0321675 [0,0,0,0,0,0|2,0,1]=3 1 B14R1.623 CCOC(=O)C1=C([N+](=O)[O-])C=CC=N1 CS-0314189 [0,0,0,0,0,0|2,0,1]=3 2 B13R1.464 C=CC1=CC=CC=C1C(=O)OCC CS-W004208 [1,0,0,0,0,0|1,0,0]=2 3 B13R1.464 CCOC(=O)C1=C(NN)N=CC=C1 CS-0661900 [1,0,0,0,0,0|3,0,0]=4 4 B13R1.464 CCOC(=O)C1=C(OC)N=CC=C1 CS-0195649 [1,0,0,0,0,0|3,0,0]=4 5 B13R1.547 CCS(=O)C1=CC=CC=C1B(O)O CS-0176057 [1,0,0,0,0,0|2,0,1]=4 6 B13R1.572 CCCOC1=CC=CC=C1C(=O)O CS-W017201 [1,0,0,0,0,0|2,0,0]=3 7 B13R1.572 COCCC1=CC=CC=C1C(=O)O CS-0539707 [1,0,0,0,0,0|2,0,1]=4 8 B15R1.765 CCOC(=O)C1=C([N+](=O)[O-])C=CC(Br)=C1 CS-0673426 [0,1,0,0,0,0|1,0,1]=3 9 B15R1.765 CCOC(=O)C1=C([N+](=O)[O-])C=CC(Cl)=C1 CS-0307959 [0,1,0,0,0,0|1,0,1]=3 10 B15R1.811 CCOC(=O)C1=CC=CC=C1S(=O)(=O)Cl CS-0216186 [0,1,0,0,0,0|1,0,1]=3 11 B15R1.5509 CC(C)NC(=O)C1=CC=CC=C1[N+](=O)[O-] CS-0316817 [0,1,0,0,0,0|2,0,1]=4 12 B15R1.5509 CC(C)OC(=O)C1=C(C(=O)O)C=CC=N1 CS-0316630 [0,1,0,0,0,0|1,0,0]=2 13 B15R1.10569 CCOC(=O)C1=C([N+](=O)[O-])C=C(Br)C=C1 CS-0308681 [0,1,0,0,0,0|1,0,1]=3 14 B15R2.1221 O=C(O)C1=CC=CC=C1N2CCCC2 CS-0156707 [0,0,0,1,0,0|3,0,0]=4 15 B15R2.4382 CCOC1=C2C=CC=CC2=C(Br)C=C1 CS-0060377 [0,0,0,1,0,0|3,0,0]=4 16 B15R2.9803 O=C(O)C1=CC=CC2=C1C(=O)OC2=O CS-0566254 [0,0,0,1,0,0|1,0,1]=3 17 B13R1.467 CCOC(=O)C1=C(B(O)O)C=CS1 CS-0189158 [0,0,0,0,1,0|2,0,1]=4 18 B13R1.467 CCOC(=O)C1=NNC=C1C(=O)O CS-0880863 [0,0,0,0,1,0|2,0,0]=3 19 B15R1.1274 CC(=O)C1=C(NC(=O)CCCl)C=CC=C1 CS-0713999 [0,0,0,0,0,1|3,0,0]=4 20 B15R1.1274 CNCC(=O)NC1=C(C(=O)O)C=CC=C1 CS-0973767 [0,0,0,0,0,1|2,0,0]=3 21 B15R1.1274 CNCC(=O)NC1=CC=CC=C1C(=O)O CS-0221308 [0,0,0,0,0,1|2,0,0]=3 22 B15R1.1274 COCC(=O)NC1=C(C(N)=O)C=CC=C1 CS-0239606 [0,0,0,0,0,1|3,0,0]=4 23 B12R1.77 COC(=O)C1=C(C=O)C=NC=C1 CS-0527112 [2,0,0,0,0,0|1,0,0]=3 24 B12R1.77 COC(=O)C1=C(NN)C=CC=C1 CS-0696667 [2,0,0,0,0,0|2,0,0]=4 25 B12R1.77 COC(=O)C1=CC=CC=C1CN CS-0150794 [2,0,0,0,0,0|1,0,1]=4 26 B12R1.308 CCCC(=O)C1=CC=CC=C1Cl CS-0094479 [2,0,0,0,0,0|2,0,0]=4 27 B12R1.308 CCOC(=O)C1=C(Cl)C=CN=C1 CS-0181182 [2,0,0,0,0,0|2,0,0]=4 28 B12R1.308 CCOC(=O)C1=C(S)C=CC=C1 CS-0709859 [2,0,0,0,0,0|0,1,0]=3 29 B12R1.308 CCOC(=O)C1=CC=CN=C1Br CS-0041850 [2,0,0,0,0,0|2,0,0]=4 30 B12R1.308 CCOC(=O)C1=CC=NC=C1C CS-0326915 [2,0,0,0,0,0|1,0,1]=4 31 B12R1.308 CCOC(=O)C1=CN=CC=C1Br CS-0190900 [2,0,0,0,0,0|2,0,0]=4 32 B12R1.261 C[C@H](N)C1=CC=CC=C1C(=O)O CS-0867327 [2,0,0,0,0,0|1,0,1]=4 33 B12R1.261 NC(=O)C1=C(C(=O)O)N=CC=C1 CS-0314767 [2,0,0,0,0,0|2,0,0]=4 34 B12R1.261 O=C(O)C1=C(C(=O)O)N=NC=C1 CS-0075171 [2,0,0,0,0,0|2,0,0]=4 35 B12R1.261 O=C([O-])C1=CC=CC=C1C(=O)[O-] CS-0453833 [2,0,0,0,0,0|0,0,2]=4 36 B12R1.261 O=C([O-])C1=CC=CC=C1C(=O)[O-] CS-0569436 [2,0,0,0,0,0|0,0,2]=4 37 B12R1.283 CCCC1=CC=CC=C1C(=O)O CS-0258613 [2,0,0,0,0,0|0,0,1]=3 38 B12R1.283 CCOC1=C(C(=O)O)C=CC=N1 CS-0072564 [2,0,0,0,0,0|1,0,0]=3 39 B12R1.283 CCOC1=CC=CC=C1[C@H](C)O CS-0257689 [2,0,0,0,0,0|1,0,1]=4 40 B12R1.283 CCOC1=NC=CC=C1C(N)=O CS-0090995 [2,0,0,0,0,0|2,0,0]=4 41 B12R1.283 CCSC1=C(C(=O)O)C=CC=N1 CS-0313031 [2,0,0,0,0,0|1,1,0]=4 42 B14R1.263 CCOC(=O)C1=CC=CC=C1CCBr CS-0448571 [1,1,0,0,0,0|1,0,1]=4 43 B14R1.263 CCOC(=O)C1=CC=CC=C1COC CS-0468574 [1,1,0,0,0,0|0,0,1]=3 44 B14R1.263 CCOC(=O)C1=CC=CC=C1NC=O CS-0348069 [1,1,0,0,0,0|0,0,0]=2 45 B14R1.599 CCOC(=O)C1=C(C=O)N=CC(Br)=C1 CS-0444740 [1,1,0,0,0,0|1,0,0]=3 46 B14R1.599 CCOC(=O)C1=C(OC)C=CC(Br)=C1 CS-0192489 [1,1,0,0,0,0|2,0,0]=4 47 B14R1.599 CCOC(=O)C1=CC(F)=CC=C1OC CS-0193826 [1,1,0,0,0,0|2,0,0]=4 48 B14R1.7233 CCOC(=O)C1=CC=C(Br)C=C1OC CS-0189040 [1,1,0,0,0,0|2,0,0]=4 49 B14R1.7233 CCOC(=O)C1=CC=C(Br)C=C1SC CS-0191397 [1,1,0,0,0,0|2,0,0]=4 50 B14R1.429 O=C(O)C(=O)C1=CC=CC=C1C(=O)O CS-0322976 [1,1,0,0,0,0|1,0,1]=4 51 B14R1.745 COC(=O)C1=CC=CC=C1S(=O)(=O)O CS-0667855 [1,1,0,0,0,0|1,0,0]=3 52 B14R1.1126 COC(=O)C1=CC=C(F)C=C1C(=O)O CS-0160712 [1,1,0,0,0,0|0,0,0]=2 53 B14R1.1153 COC(=O)C1=CC=CC(Cl)=C1C(=O)O CS-0567200 [1,1,0,0,0,0|0,0,0]=2 54 B14R1.1153 COC(=O)C1=CC=CC(N)=C1[N+](=O)[O-] CS-0534612 [1,1,0,0,0,0|1,0,1]=4 55 B14R1.1164 COC(=O)C1=C(B(O)O)C=CC=C1F CS-0176097 [1,1,0,0,0,0|1,0,1]=4 56 B14R1.1164 COC(=O)C1=C(C)C=CC=C1B(O)O CS-0178687 [1,1,0,0,0,0|1,0,1]=4 57 B14R1.67 CCCNC1=C(C(=O)O)C=C(C)C=C1 CS-0713975 [1,1,0,0,0,0|2,0,0]=4 58 B14R1.67 CCCOC1=CC=C(Br)C=C1C(=O)O CS-0204388 [1,1,0,0,0,0|2,0,0]=4 59 B14R1.760 CCCOC1=C(C(=O)O)C=CC(F)=C1 CS-0194422 [1,1,0,0,0,0|2,0,0]=4 60 B14R1.4522 CC(C)CNC1=CC=CC=C1C(=O)O CS-0274344 [1,1,0,0,0,0|2,0,0]=4 61 B14R1.4522 CC(C)COC1=CC=CC=C1C(=O)O CS-0446795 [1,1,0,0,0,0|2,0,0]=4 62 B14R1.615 CCOC(=O)C1=CN(C)N=C1C(=O)O CS-0256737 [0,1,0,0,1,0|2,0,0]=4 63 B16R1.1555 CCOC(=O)CC1=CC=CC=C1S(=O)(=O)Cl CS-0242051 [0,1,0,0,0,1|1,0,1]=4 64 B16R1.1556 CCOC(=O)NC1=CC=CC=C1C(=O)OC CS-0313865 [0,1,0,0,0,1|0,0,0]=2 65 B16R1.1556 CNCC(=O)NC1=C(C(=O)OC)C=CC=C1 CS-0964589 [0,1,0,0,0,1|2,0,0]=4 66 B16R1.4493 CCCCC(=O)NC1=CC=CC=C1C(C)=O CS-0038583 [0,1,0,0,0,1|2,0,0]=4 67 B16R1.6958 CCC(C)C(=O)NC1=CC=CC=C1C(=O)O CS-0358546 [0,1,0,0,0,1|1,0,0]=3 68 B16R1.13671 CCOC(=O)CC1=C([N+](=O)[O-])C=C(Cl)C=C1 CS-0440644 [0,1,0,0,0,1|1,0,1]=4 69 B16R1.15041 CCOC(=O)C1=C([N+](=O)[O-])C=CC(OC)=C1 CS-0684814 [0,2,0,0,0,0|1,0,1]=4 70 B16R1.874 CCC(C)OC(=O)C1=CC=CC=C1C(=O)O CS-0814512 [0,2,0,0,0,0|0,0,0]=2 71 B16R1.3048 CCN(C)S(=O)(=O)C1=CC=CC=C1C(=O)O CS-0345445 [0,2,0,0,0,0|2,0,0]=4 72 B16R1.12475 CC(C)(C)OC(=O)C1=CC=CC=C1[N+](=O)[O-] CS-0208740 [0,2,0,0,0,0|1,0,1]=4 73 B14R1.32 CCOC(=O)\C=C\C1=CC=CC(Cl)=C1 CS-0347972 [0,0,1,1,0,0|2,0,0]=4 74 B14R1.468 CCOC1=CC=CC(\C=C\C(=O)O)=C1 CS-0449374 [0,0,1,1,0,0|1,0,0]=3 75 B14R1.605 C=CC1=CC(C(=O)OCC)=CC(C)=N1 CS-0047151 [0,0,1,1,0,0|2,0,0]=4 76 B14R2.24350 CN1CCC2=C1C(C(=O)O)=CC=C2 CS-0450496 [1,0,0,1,0,0|2,0,0]=4 77 B14R2.24350 O=C1OCC2=C1C([N+](=O)[O-])=CC=C2 CS-0060621 [1,0,0,1,0,0|1,0,1]=4 78 B14R2.31359 O=C(O)C1=CC=CC2=C1CNCC2 CS-0700528 [1,0,0,1,0,0|1,0,1]=4 79 B14R2.8053 O=C(O)C1=COC2=C1C(=O)NCC2 CS-0311418 [0,0,0,1,1,0|2,0,0]=4 80 B16R2.3155 O=C1CCCCC(=O)C2=CC=CC=C2N1 CS-0239164 [0,0,0,1,0,1|2,0,0]=4 81 B16R2.23332 CC(=O)N1C2=CC=CC=C2C(=O)CC1C CS-0037782 [0,0,0,1,0,1|2,0,0]=4 82 B16R2.29743 CCOC(=O)C1=C2CC(=O)NC2=CC=C1 CS-0669620 [0,0,0,1,0,1|1,0,0]=3 83 B16R2.29743 CCOC(=O)C1=CC=CC2=C1OC(C)=N2 CS-0205860 [0,0,0,1,0,1|2,0,0]=4 84 B16R2.10778 CCN1C2=CC=CC(C(=O)O)=C2N=C1C CS-0625393 [0,0,0,1,0,1|2,0,0]=4 85 B16R2.2838 CC1=NN=C(C2=CC=CC=C2C(=O)O)O1 CS-0263820 [0,1,0,1,0,0|1,0,1]=4 86 B16R2.119700 CCOC1=CC=C(C=O)C2=CC=CC=C12 CS-0667249 [0,1,0,1,0,0|2,0,0]=4 87 B16R2.21692 NCCN1NC(=O)C2=CC=CC=C2C1=O CS-0551153 [0,1,0,1,0,0|2,0,0]=4 88 B12R1.368 COC(=O)C1=C(C(=O)O)C=CS1 CS-0042628 [1,0,0,0,1,0|1,0,0]=3 89 B14R1.617 CCOC(=O)C1=CC(C(=O)O)=NC=C1 CS-0565693 [0,0,0,0,1,1|1,0,0]=3 90 B14R1.617 CCOC(=O)C1=NC=CC(C(=O)O)=C1 CS-0061601 [0,0,0,0,1,1|1,0,0]=3 91 B16R1.4440 CCOC(=O)COC1=CC=CC=C1C(=O)O CS-0250836 [0,0,0,0,0,2|0,0,0]=2 92 B16R1.4440 CCOC(=O)\C=C\C1=CC=CC=C1[N+](=O)[O-] CS-0660617 [0,0,0,0,0,2|1,0,1]=4