0 B12R1.27 CCC(=O)NNC1=CC=CC=C1 BTB10204 [0,0,0,0,0,0|3,0,0]=3 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|1,0,0]=1 3 B12R1.27 NNC(=O)COC1=CC=CC=C1 RH01330 [0,0,0,0,0,0|3,0,0]=3 4 B12R1.27 N\C(COC1=CC=CC=C1)=N/O SPB02646 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.91 N=C(N)COC1=CC=CC=C1 MO07572 [1,0,0,0,0,0|3,0,0]=4 6 B11R1.91 N=C(N)CSC1=CC=CC=C1 SPB05877 [1,0,0,0,0,0|3,0,0]=4 7 B11R1.91 NC(=O)COC1=CC=CC=C1 SPB04334 [1,0,0,0,0,0|2,0,0]=3 8 B11R1.91 NC(=O)NCC1=NC=CC=C1 BTB05401 [1,0,0,0,0,0|3,0,0]=4 9 B11R1.91 NC(=O)NNC1=CC=CC=C1 S14722 [1,0,0,0,0,0|3,0,0]=4 10 B11R1.91 NC(=S)COC1=CC=CC=C1 SPB05907 [1,0,0,0,0,0|2,1,0]=4 11 B11R1.91 NC(=S)CSC1=CC=CC=C1 KM04192 [1,0,0,0,0,0|2,1,0]=4 12 B11R1.91 O=C(O)CCC1=CC=CN=C1 HTS01877 [1,0,0,0,0,0|1,0,0]=2 13 B11R1.91 O=C(O)CSC1=NC=CC=C1 BTB05540 [1,0,0,0,0,0|2,0,0]=3 14 B13R1.14 NNC(=O)CCC1=CC=C(O)C=C1 BTB00937 [0,1,0,0,0,0|2,0,0]=3 15 B13R1.14 NNC(=O)CNC1=CC=C(F)C=C1 NRB00025 [0,1,0,0,0,0|3,0,0]=4 16 B13R1.42 CCOC(=O)NCC1=CC=CC=C1 DSHS00133 [0,1,0,0,0,0|1,0,0]=2 17 B13R1.42 CCSC(=O)NCC1=CC=CC=C1 JFD01101 [0,1,0,0,0,0|1,1,0]=3 18 B13R1.351 CN(C)C(=O)\C=C\C1=CC=CC=C1 NRB01986 [0,1,0,0,0,0|1,0,2]=4 19 B13R1.351 [C@@H](C)(N)C(=O)OCC1=CC=CC=C1 BTB13570 [0,1,0,0,0,0|2,0,0]=3 20 B13R1.351 [C@H](C)(N)C(=O)OCC1=CC=CC=C1 BTB13569 [0,1,0,0,0,0|2,0,0]=3 21 B13R1.351 [C@H](C)(N)C(=O)OCC1=CC=CC=C1 BTB13571 [0,1,0,0,0,0|2,0,0]=3 22 B13R2.10 O=C1CC(C2=CC=CC=C2)=NO1 RF00778 [0,0,0,1,0,0|1,0,1]=3 23 B11R1.40 CNC(=S)NC1=CC=CC=C1 GK03238 [0,0,0,0,1,0|2,1,0]=4 24 B11R1.40 COC(=S)NC1=CC=CC=C1 BTB11637 [0,0,0,0,1,0|1,1,0]=3 25 B11R1.40 CSC(=N)NC1=CC=CC=C1 NRB04582 [0,0,0,0,1,0|2,1,0]=4 26 B11R1.40 NNC(=O)CC1=CC=CC=C1 JFD03115 [0,0,0,0,1,0|2,0,0]=3 27 B11R1.40 NNC(=O)OC1=CC=CC=C1 DSHS01027 [0,0,0,0,1,0|3,0,0]=4 28 B11R1.40 N\C(CC1=CC=CC=C1)=N/O S01215 [0,0,0,0,1,0|3,0,0]=4 29 B11R1.40 O=C(NO)NC1=CC=CC=C1 JFD01119 [0,0,0,0,1,0|3,0,0]=4 30 B13R1.718 CNC(=S)NCCC1=CC=CC=C1 RDR01004 [0,0,0,0,0,1|1,1,0]=3 31 B13R1.718 NNC(=S)NCCC1=CC=CC=C1 RDR00814 [0,0,0,0,0,1|2,1,0]=4 32 B12R1.21 CC1=CC=C(CCC(=O)O)C=C1 BTB14159 [1,1,0,0,0,0|0,0,0]=2 33 B12R1.21 CC1=CC=C(OCC(=O)O)C=C1 RJC00256 [1,1,0,0,0,0|1,0,0]=3 34 B12R1.21 NC(=O)COC1=CC=C(Cl)C=C1 SPB05735 [1,1,0,0,0,0|2,0,0]=4 35 B12R1.21 NC(=O)NCC1=CC=C(F)C=C1 S14532 [1,1,0,0,0,0|2,0,0]=4 36 B12R1.21 O=C(O)CSC1=CC=C(Cl)C=C1 RF00560 [1,1,0,0,0,0|1,0,0]=3 37 B12R1.21 O=C(O)CSC1=CC=C(F)C=C1 KM09206 [1,1,0,0,0,0|1,0,0]=3 38 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O SB02005 [1,1,0,0,0,0|0,0,0]=2 39 B12R1.107 CC(=O)NC(C)C1=CC=CC=C1 JFD03490 [1,1,0,0,0,0|1,0,0]=3 40 B12R1.107 CC(=O)N[C@H](C)C1=CC=CC=C1 HTS06398 [1,1,0,0,0,0|1,0,0]=3 41 B12R1.107 NC(=O)CC(=O)C1=CC=CC=C1 CD06497 [1,1,0,0,0,0|1,0,1]=4 42 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 RH01533 [1,1,0,0,0,0|0,0,0]=2 43 B12R1.125 CC(=O)NCC1=CC=CC=C1Br NRB00715 [1,1,0,0,0,0|1,0,0]=3 44 B12R1.226 NC(=O)NCC1=CC(Cl)=CC=C1 S12185 [1,1,0,0,0,0|2,0,0]=4 45 B12R1.891 CS(=O)(=O)NCC1=CC=CC=C1 BTB08167 [1,1,0,0,0,0|2,0,0]=4 46 B12R1.49 COC(=S)NC1=CC=C(F)C=C1 CD03993 [0,1,0,0,1,0|1,1,0]=4 47 B12R1.50 CNC(=O)OC1=CC(C)=CC=C1 BTB13280 [0,1,0,0,1,0|2,0,0]=4 48 B12R1.50 COC(=S)NC1=CC(Cl)=CC=C1 RH01095 [0,1,0,0,1,0|1,1,0]=4 49 B12R1.194 CCS(=O)(=O)CC1=CC=CC=C1 JFD02738 [0,1,0,0,1,0|2,0,0]=4 50 B12R1.371 CNC(=O)SC1=C(Cl)C=CC=C1 EN00233 [0,1,0,0,1,0|2,0,0]=4 51 B12R1.371 COC(=S)NC1=CC=CC=C1Cl SEW05584 [0,1,0,0,1,0|1,1,0]=4 52 B14R1.13 CNC(=O)NCCC1=CC=C(Cl)C=C1 CD08666 [0,1,0,0,0,1|1,0,0]=3 53 B14R1.13 COC(=O)CCNC1=CC=C(Cl)C=C1 EN00152 [0,1,0,0,0,1|0,0,0]=2 54 B14R1.163 COC(=O)CNC(=O)C1=CC=CC=C1 RDP00222 [0,1,0,0,0,1|0,0,1]=3 55 B14R1.134 COC(=O)C(N)CC1=CC=C(O)C=C1 BTB06642 [0,2,0,0,0,0|0,0,0]=2 56 B14R1.502 CCOC(=O)CNC1=CC=C(F)C=C1 S14316 [0,2,0,0,0,0|1,0,0]=3 57 B14R1.502 CCOC(=O)CNC1=CC=C(I)C=C1 S14315 [0,2,0,0,0,0|1,0,0]=3 58 B14R1.727 CCC(=O)NCC1=CC=C(Cl)C=C1Cl RF04991 [0,2,0,0,0,0|2,0,0]=4 59 B14R1.60 [C@H](N)(CC1=CC=CC=C1)C(=O)OCC SB01138 [0,2,0,0,0,0|0,0,0]=2 60 B14R1.156 N#CCNC(=O)OCC1=CC=CC=C1 RJC02477 [0,2,0,0,0,0|2,0,0]=4 61 B14R1.818 CC(=O)CC(=O)NCC1=CC=CC=C1 BTB13412 [0,2,0,0,0,0|2,0,0]=4 62 B14R1.818 CC(=O)NC(=O)NCC1=CC=CC=C1 RJC03822 [0,2,0,0,0,0|2,0,0]=4 63 B14R1.19598 CNC(=O)NCC1=C(F)C=CC=C1Cl CD06055 [0,2,0,0,0,0|2,0,0]=4 64 B14R1.19598 COC(=O)COC1=C(O)C=CN=C1C RF01506 [0,2,0,0,0,0|2,0,0]=4 65 B12R2.24 O=C1COC2=CC=CC=C2O1 RH00750 [1,0,0,1,0,0|1,0,0]=3 66 B12R2.24 O=C1CSC2=C(C=CC=C2)N1 RB00326 [1,0,0,1,0,0|2,0,0]=4 67 B14R2.19 O=C1C=C(NC2=CC=CC=C2)CO1 BTB11211 [0,0,0,1,0,1|0,0,2]=4 68 B14R2.68 O=C1CCC(C2=CC=CC=C2)=NN1 RH00053 [0,0,0,1,0,1|2,0,0]=4 69 B14R2.95 COC(=O)C1=CNC2=C1C=CC=C2 AC30928 [0,0,0,1,0,1|0,0,2]=4 70 B14R2.972 COC(=O)C1=CC2=C(C=CC=C2)S1 BTB07526 [0,1,0,1,0,0|0,0,2]=4 71 B10R1.18 NC(=S)CC1=CC=CC=C1 DP01377 [1,0,0,0,1,0|1,1,0]=4 72 B10R1.66 O=C(O)CCC1=CC=CS1 RJC01494 [1,0,0,0,1,0|1,0,0]=3