0 B12R1.27 CCC(=O)NNC1=CC=CC=C1 BTB10204 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.27 CNC(=S)NCC1=CC=CN=C1 RDR00588 [0,0,0,0,0,0|3,1,0]=4 2 B12R1.27 COC(=O)NCC1=CC=CC=C1 JFD01099 [0,0,0,0,0,0|2,0,0]=2 3 B12R1.27 NNC(=O)COC1=CC=CC=C1 RH01330 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.91 NC(=O)COC1=CC=CC=C1 SPB04334 [1,0,0,0,0,0|3,0,0]=4 5 B11R1.91 NC(=O)NCC1=NC=CC=C1 BTB05401 [1,0,0,0,0,0|3,0,0]=4 6 B11R1.91 NC(=O)NNC1=CC=CC=C1 S14722 [1,0,0,0,0,0|3,0,0]=4 7 B11R1.91 O=C(O)CCC1=CC=CN=C1 HTS01877 [1,0,0,0,0,0|3,0,0]=4 8 B13R1.14 NNC(=O)CCC1=CC=C(O)C=C1 BTB00937 [0,1,0,0,0,0|3,0,0]=4 9 B13R1.42 CCNC(=S)NNC1=CC=CC=C1 S02279 [0,1,0,0,0,0|2,1,0]=4 10 B13R1.42 CCOC(=O)NCC1=CC=CC=C1 DSHS00133 [0,1,0,0,0,0|1,0,0]=2 11 B13R1.42 CCSC(=O)NCC1=CC=CC=C1 JFD01101 [0,1,0,0,0,0|1,0,0]=2 12 B13R1.42 N#CCC(=O)NCC1=CC=NC=C1 DP00472 [0,1,0,0,0,0|2,0,1]=4 13 B13R1.42 N#CCC(=O)NCC1=NC=CC=C1 BTB06613 [0,1,0,0,0,0|2,0,1]=4 14 B13R1.351 CN(C)C(=O)\C=C\C1=CC=CC=C1 NRB01986 [0,1,0,0,0,0|2,0,1]=4 15 B13R1.351 [C@@H](C)(N)C(=O)OCC1=CC=CC=C1 BTB13570 [0,1,0,0,0,0|0,0,0]=1 16 B13R1.351 [C@H](C)(N)C(=O)OCC1=CC=CC=C1 BTB13569 [0,1,0,0,0,0|0,0,0]=1 17 B13R1.351 [C@H](C)(N)C(=O)OCC1=CC=CC=C1 BTB13571 [0,1,0,0,0,0|0,0,0]=1 18 B11R1.40 CNC(=S)NC1=CC=CC=C1 GK03238 [0,0,0,0,1,0|2,1,0]=4 19 B11R1.40 COC(=S)NC1=CC=CC=C1 BTB11637 [0,0,0,0,1,0|2,1,0]=4 20 B11R1.40 CSC(=N)NC1=CC=CC=C1 NRB04582 [0,0,0,0,1,0|3,0,0]=4 21 B11R1.40 NNC(=O)CC1=CC=CC=C1 JFD03115 [0,0,0,0,1,0|2,0,0]=3 22 B11R1.40 NNC(=O)OC1=CC=CC=C1 DSHS01027 [0,0,0,0,1,0|2,0,0]=3 23 B11R1.40 N\C(CC1=CC=CC=C1)=N/O S01215 [0,0,0,0,1,0|3,0,0]=4 24 B11R1.40 O=C(NO)NC1=CC=CC=C1 JFD01119 [0,0,0,0,1,0|3,0,0]=4 25 B13R1.718 CNC(=S)NCCC1=CC=CC=C1 RDR01004 [0,0,0,0,0,1|2,1,0]=4 26 B12R1.21 CC1=CC=C(CCC(=O)O)C=C1 BTB14159 [1,1,0,0,0,0|2,0,0]=4 27 B12R1.21 NC(=O)NCC1=CC=C(F)C=C1 S14532 [1,1,0,0,0,0|2,0,0]=4 28 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O SB02005 [1,1,0,0,0,0|2,0,0]=4 29 B12R1.107 CC(=O)NC(C)C1=CC=CC=C1 JFD03490 [1,1,0,0,0,0|1,0,0]=3 30 B12R1.107 CC(=O)N[C@H](C)C1=CC=CC=C1 HTS06398 [1,1,0,0,0,0|1,0,0]=3 31 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 RH01533 [1,1,0,0,0,0|2,0,0]=4 32 B12R1.125 CC(=O)NCC1=CC=CC=C1Br NRB00715 [1,1,0,0,0,0|1,0,0]=3 33 B12R1.226 NC(=O)NCC1=CC(Cl)=CC=C1 S12185 [1,1,0,0,0,0|2,0,0]=4 34 B12R1.891 CS(=O)(=O)NCC1=CC=CC=C1 BTB08167 [1,1,0,0,0,0|2,0,0]=4 35 B12R1.50 CNC(=O)OC1=CC(C)=CC=C1 BTB13280 [0,1,0,0,1,0|1,0,0]=3 36 B12R1.194 CCS(=O)(=O)CC1=CC=CC=C1 JFD02738 [0,1,0,0,1,0|1,0,0]=3 37 B12R1.371 CNC(=O)SC1=C(Cl)C=CC=C1 EN00233 [0,1,0,0,1,0|1,1,0]=4 38 B14R1.13 CNC(=O)NCCC1=CC=C(Cl)C=C1 CD08666 [0,1,0,0,0,1|2,0,0]=4 39 B14R1.13 COC(=O)CCNC1=CC=C(Cl)C=C1 EN00152 [0,1,0,0,0,1|2,0,0]=4 40 B14R1.134 COC(=O)C(N)CC1=CC=C(O)C=C1 BTB06642 [0,2,0,0,0,0|2,0,0]=4 41 B14R1.502 CCOC(=O)CNC1=CC=C(F)C=C1 S14316 [0,2,0,0,0,0|2,0,0]=4 42 B14R1.502 CCOC(=O)CNC1=CC=C(I)C=C1 S14315 [0,2,0,0,0,0|2,0,0]=4 43 B14R1.727 CCC(=O)NCC1=CC=C(Cl)C=C1Cl RF04991 [0,2,0,0,0,0|1,0,0]=3 44 B14R1.60 [C@H](N)(CC1=CC=CC=C1)C(=O)OCC SB01138 [0,2,0,0,0,0|1,0,0]=3 45 B14R1.156 N#CCNC(=O)OCC1=CC=CC=C1 RJC02477 [0,2,0,0,0,0|0,0,1]=3 46 B14R1.156 OCCNC(=S)NCC1=CC=CC=C1 S01142 [0,2,0,0,0,0|1,1,0]=4 47 B14R1.818 CC(=O)CC(=O)NCC1=CC=CC=C1 BTB13412 [0,2,0,0,0,0|1,0,0]=3 48 B14R1.818 CC(=O)NC(=O)NCC1=CC=CC=C1 RJC03822 [0,2,0,0,0,0|1,0,1]=4 49 B14R1.19598 CNC(=O)NCC1=C(F)C=CC=C1Cl CD06055 [0,2,0,0,0,0|2,0,0]=4 50 B12R2.18 CN1C(=S)OC2=C1C=CC=C2 AC29729 [0,0,0,1,1,0|1,1,0]=4 51 B14R2.68 O=C1CCC(C2=CC=CC=C2)=NN1 RH00053 [0,0,0,1,0,1|1,0,1]=4 52 B14R2.95 CCC(=O)C1=CNC2=CC=CC=C21 JFD02818 [0,0,0,1,0,1|1,0,1]=4 53 B14R2.20 O=C1CCN(C2=CC=C(Cl)C=C2)N1 BTB10095 [0,1,0,1,0,0|2,0,0]=4 54 B14R2.30 S=C1NCCN1CC2=CC=CC=C2 DP01057 [0,1,0,1,0,0|1,1,0]=4 55 B14R2.101 C1=CC=C(CSC2=NCCN2)C=C1 DP01047 [0,1,0,1,0,0|1,1,0]=4 56 B14R2.256 O=C1CSC(C2=CC=CC=C2F)N1 S08239 [0,1,0,1,0,0|2,0,0]=4 57 B10R1.18 NC(=S)CC1=CC=CC=C1 DP01377 [1,0,0,0,1,0|1,1,0]=4