0 B12R1.32 CCOC(=O)CC1=CC=CC=C1 CS-W016087 [0,0,0,0,0,0|0,0,0]=0 1 B12R1.32 CCOC(=O)CC1=CC=NC=C1 CS-W017889 [0,0,0,0,0,0|1,0,0]=1 2 B12R1.32 CCOC(=O)NC1=CC=NC=C1 CS-0028344 [0,0,0,0,0,0|2,0,0]=2 3 B12R1.32 CN(CCO)CC1=CC=CC=C1 CS-W023196 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.28 BrCCOCC1=CC=CC=C1 CS-W007388 [1,0,0,0,0,0|3,0,0]=4 5 B11R1.28 CCOCCC1=CC=CC=N1 CS-W018112 [1,0,0,0,0,0|1,0,1]=3 6 B11R1.28 NCCOCC1=CC=CC=C1 CS-W018620 [1,0,0,0,0,0|3,0,0]=4 7 B11R1.28 OCCCCC1=CC=CC=C1 CS-W018137 [1,0,0,0,0,0|2,0,1]=4 8 B11R1.40 COC(=O)CC1=CC=CC=C1 CS-W018528 [1,0,0,0,0,0|0,0,0]=1 9 B11R1.40 NCC(O)CC1=CC=CC=C1 CS-D0131 [1,0,0,0,0,0|1,0,2]=4 10 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 CS-D1142 [1,0,0,0,0,0|2,0,1]=4 11 B11R1.40 O=C(CBr)NC1=CC=CC=C1 CS-D0368 [1,0,0,0,0,0|2,0,0]=3 12 B13R1.19 CCNC(=O)NC1=CC=C(Br)C=C1 CS-M2093 [0,1,0,0,0,0|2,0,0]=3 13 B13R1.19 CCOC(=O)CC1=CC=C(Cl)C=C1 CS-W022691 [0,1,0,0,0,0|0,0,0]=1 14 B13R1.19 CCOC(=O)CC1=CC=C(Cl)N=C1 CS-0063168 [0,1,0,0,0,0|1,0,0]=2 15 B13R1.20 CCOC(=O)CC1=CC(Br)=CC=C1 CS-W006014 [0,1,0,0,0,0|0,0,0]=1 16 B13R1.47 CCOC(=O)C(N)C1=NC=CC=C1 CS-0045379 [0,1,0,0,0,0|1,0,0]=2 17 B13R1.47 CCOC(=O)[C@@H](N)C1=CC=CC=C1 CS-0097338 [0,1,0,0,0,0|0,0,0]=1 18 B13R1.470 CCOC(=O)CC1=C(Cl)C=CC=C1 CS-0043127 [0,1,0,0,0,0|0,0,0]=1 19 B13R2.15 O=C1NCCN1C2=CC=CC=C2 CS-0045323 [0,0,0,1,0,0|2,0,0]=3 20 B13R2.26 CCOC1=NC2=CC=CC=C2N1 CS-W020457 [0,0,0,1,0,0|2,0,0]=3 21 B13R2.64 C1=CC=C(CN2CCCC2)C=C1 CS-0031418 [0,0,0,1,0,0|3,0,0]=4 22 B13R2.163 O=C1CCCC2=CC=CC=C2N1 CS-D0727 [0,0,0,1,0,0|2,0,0]=3 23 B13R2.328 O=C1CC2=CC=CC=C2C(=O)O1 CS-W010863 [0,0,0,1,0,0|1,0,1]=3 24 B11R1.16 C(C)=CC(=O)C1=CC=CC=C1 CS-W010991 [0,0,0,0,1,0|1,0,1]=3 25 B11R1.16 CCOC(=O)C1=CC=CC=N1 CS-W008053 [0,0,0,0,1,0|1,0,0]=2 26 B11R1.16 CCOC(=O)C1=CC=NC=C1 CS-W020597 [0,0,0,0,1,0|1,0,0]=2 27 B11R1.16 CCOC(=O)C1=CN=CC=C1 CS-W014344 [0,0,0,0,1,0|1,0,0]=2 28 B11R1.16 CCOC(=O)C1=NC=CN=C1 CS-M0893 [0,0,0,0,1,0|2,0,0]=3 29 B13R1.42 NCCC(=O)OCC1=CC=CC=C1 CS-W009807 [0,0,0,0,0,1|2,0,0]=3 30 B10R1.17 CCOCC1=CC=CC=C1 CS-W018329 [2,0,0,0,0,0|0,0,0]=2 31 B10R1.18 CC(=O)NC1=CC=CN=C1 CS-0100272 [2,0,0,0,0,0|2,0,0]=4 32 B10R1.18 NC(=O)CC1=CC=CC=C1 CS-W018983 [2,0,0,0,0,0|1,0,0]=3 33 B10R1.18 NC(=O)OC1=CC=CC=C1 CS-0095625 [2,0,0,0,0,0|2,0,0]=4 34 B10R1.18 O=C(O)CC1=CC=CC=N1 CS-W017541 [2,0,0,0,0,0|1,0,0]=3 35 B12R1.8 NCCCNCC1=CC=CC=C1 CS-W022916 [1,1,0,0,0,0|2,0,0]=4 36 B12R1.252 CC(C)OCCC1=NC=CC=C1 CS-0101421 [1,1,0,0,0,0|1,0,1]=4 37 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 CS-0030595 [1,1,0,0,0,0|0,0,1]=3 38 B12R1.34 COC(=O)[C@@H](O)C1=CC=CC=C1 CS-0011289 [1,1,0,0,0,0|0,0,0]=2 39 B12R1.34 [C@H](O)(C(=O)OC)C1=CC=CC=C1 CS-W017868 [1,1,0,0,0,0|0,0,0]=2 40 B12R1.49 COC(=O)CC1=CC=C(Br)C=C1 CS-M1488 [1,1,0,0,0,0|0,0,0]=2 41 B12R1.49 NNC(=O)CC1=CC=C(F)C=C1 CS-0039978 [1,1,0,0,0,0|2,0,0]=4 42 B12R1.49 O=C(CCl)NC1=CC=C(Br)C=C1 CS-0064109 [1,1,0,0,0,0|2,0,0]=4 43 B12R1.50 COC(=O)CC1=CC=CC(Br)=C1 CS-W019829 [1,1,0,0,0,0|0,0,0]=2 44 B12R1.50 O=C(CCl)NC1=CC=CC(F)=C1 CS-B1389 [1,1,0,0,0,0|2,0,0]=4 45 B12R1.118 CCN(CC)CC1=CC=CC=C1 CS-0015347 [1,1,0,0,0,0|2,0,0]=4 46 B12R1.371 COC(=O)CC1=C(Br)C=NC=C1 CS-0102202 [1,1,0,0,0,0|1,0,0]=3 47 B12R1.371 COC(=O)CC1=C(O)C=CC=C1 CS-W019150 [1,1,0,0,0,0|0,0,0]=2 48 B12R1.371 COC(=O)CC1=CC=CC=C1C CS-0088539 [1,1,0,0,0,0|0,0,0]=2 49 B12R1.371 COC(=O)NC1=C(C)C=CN=C1 CS-M3531 [1,1,0,0,0,0|2,0,0]=4 50 B12R1.16 CC1=CC=C(C(=O)CCCl)C=C1 CS-W017075 [0,1,0,0,1,0|2,0,0]=4 51 B12R1.16 CCCC(=O)C1=CC=C(O)C=C1 CS-0034666 [0,1,0,0,1,0|1,0,0]=3 52 B12R1.16 CCOC(=O)C1=CC=C(Br)C=C1 CS-W007730 [0,1,0,0,1,0|0,0,0]=2 53 B12R1.16 CCOC(=O)C1=CC=C(Cl)C=C1 CS-W016987 [0,1,0,0,1,0|0,0,0]=2 54 B12R1.16 CCOC(=O)C1=CC=C(I)C=C1 CS-W007981 [0,1,0,0,1,0|0,0,0]=2 55 B12R1.16 CCOC(=O)C1=CN=C(N)C=C1 CS-W019557 [0,1,0,0,1,0|1,0,0]=3 56 B12R1.16 CCOC(=O)C1=CN=C(N)C=N1 CS-W006179 [0,1,0,0,1,0|2,0,0]=4 57 B12R1.16 CCOC(=O)C1=NN=C(Cl)C=C1 CS-D1635 [0,1,0,0,1,0|2,0,0]=4 58 B12R1.17 CCOC(=O)C1=CC(Br)=NC=C1 CS-W005246 [0,1,0,0,1,0|1,0,0]=3 59 B12R1.17 CCOC(=O)C1=CC(C)=NC=C1 CS-0061579 [0,1,0,0,1,0|1,0,0]=3 60 B12R1.17 CCOC(=O)C1=CC(N)=CC=C1 CS-B1378 [0,1,0,0,1,0|0,0,0]=2 61 B12R1.17 CCOC(=O)C1=CC(N)=NC=C1 CS-D1173 [0,1,0,0,1,0|1,0,0]=3 62 B12R1.17 CCOC(=O)C1=CC(O)=CC=C1 CS-W017877 [0,1,0,0,1,0|0,0,0]=2 63 B12R1.17 CCOC(=O)C1=CC=CC(F)=C1 CS-W020154 [0,1,0,0,1,0|0,0,0]=2 64 B12R1.17 CCOC(=O)C1=CN=CC(Cl)=N1 CS-W022715 [0,1,0,0,1,0|2,0,0]=4 65 B12R1.17 CCOC(=O)C1=NC(N)=NC=C1 CS-0045655 [0,1,0,0,1,0|2,0,0]=4 66 B12R1.17 CCOC(=O)C1=NC=CC(Br)=C1 CS-0041851 [0,1,0,0,1,0|1,0,0]=3 67 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 CS-W014323 [0,1,0,0,1,0|1,0,1]=4 68 B12R1.308 CCOC(=O)C1=C(Cl)N=CC=C1 CS-W016932 [0,1,0,0,1,0|1,0,0]=3 69 B12R1.308 CCOC(=O)C1=CC=CC=C1Br CS-0097784 [0,1,0,0,1,0|0,0,0]=2 70 B12R1.308 CCOC(=O)C1=CC=NC=C1Cl CS-0042812 [0,1,0,0,1,0|1,0,0]=3 71 B12R1.308 CCOC(=O)C1=CC=NC=C1N CS-D0762 [0,1,0,0,1,0|1,0,0]=3 72 B12R1.308 CCOC(=O)C1=CN=CN=C1O CS-0090766 [0,1,0,0,1,0|2,0,0]=4 73 B12R1.308 CCOC(=O)C1=CN=CNC1=O CS-W000639 [0,1,0,0,1,0|2,0,0]=4 74 B12R1.308 CCOC(=O)C1=NC=CN=C1Cl CS-0042811 [0,1,0,0,1,0|2,0,0]=4 75 B14R1.29 CCOC(=O)CC(=O)C1=CC=CC=C1 CS-W007617 [0,1,0,0,0,1|0,0,0]=2 76 B14R1.29 CCOC(=O)CC(=O)C1=CC=CC=N1 CS-W004737 [0,1,0,0,0,1|1,0,0]=3 77 B14R1.32 CCOC(=O)CCC1=CC(C)=CC=C1 CS-M2098 [0,1,0,0,0,1|0,0,0]=2 78 B14R1.60 CCOC(=O)[C@@H](N)CC1=CC=CC=C1 CS-W012971 [0,1,0,0,0,1|0,0,0]=2 79 B14R1.156 C(C(=O)OCC=C)=CC1=CC=CC=C1 CS-W016797 [0,1,0,0,0,1|0,0,2]=4 80 B14R1.156 O=C(NCCO)OCC1=CC=CC=C1 CS-W004853 [0,1,0,0,0,1|1,0,0]=3 81 B14R1.502 CCOC(=O)CCC1=CC=C(Br)C=C1 CS-W012554 [0,1,0,0,0,1|0,0,0]=2 82 B14R1.502 CCOC(=O)CCC1=CC=C(Cl)C=C1 CS-M2499 [0,1,0,0,0,1|0,0,0]=2 83 B14R1.502 CCOC(=O)CNC1=CC=C(Cl)C=C1 CS-0037204 [0,1,0,0,0,1|0,0,0]=2 84 B14R1.502 CCOC(=O)COC1=CC=C(O)C=C1 CS-M0586 [0,1,0,0,0,1|0,0,0]=2 85 B14R1.756 COC(=O)C(=O)CCC1=CC=CC=C1 CS-0067775 [0,1,0,0,0,1|2,0,0]=4 86 B14R1.818 CC(=O)CC(=O)NCC1=CC=CC=C1 CS-W015848 [0,1,0,0,0,1|1,0,1]=4 87 B14R1.35 CCOC(=O)C(=O)C1=CC=C(Br)C=C1 CS-W005516 [0,2,0,0,0,0|0,0,1]=3 88 B14R1.35 CCOC(=O)C(=O)C1=CC=C(Cl)C=C1 CS-W004977 [0,2,0,0,0,0|0,0,1]=3 89 B14R1.6823 CCOC(=O)CC1=CC=C(F)C=C1F CS-0036590 [0,2,0,0,0,0|0,0,0]=2 90 B14R1.510 CCOC(=O)C(C)(C)C1=CC=CC=C1 CS-0042637 [0,2,0,0,0,0|0,0,0]=2 91 B14R1.604 CCOC(=O)\C(=N\O)C1=NC=CC=C1 CS-0037550 [0,2,0,0,0,0|1,0,1]=4 92 B14R1.433 CC(C)(C)OC(=O)OC1=CC=CC=C1 CS-W010657 [0,2,0,0,0,0|1,0,0]=3 93 B12R2.2 C1=CC=C(C2CCNC2)C=C1 CS-0046245 [1,0,0,1,0,0|1,0,1]=4 94 B12R2.2 C1=CC=C([C@@H]2CCNC2)C=C1 CS-0038202 [1,0,0,1,0,0|1,0,1]=4 95 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 CS-W006442 [1,0,0,1,0,0|2,0,0]=4 96 B12R2.24 NC1CCC2=CC=CC=C2C1 CS-W006188 [1,0,0,1,0,0|1,0,1]=4 97 B12R2.24 O=C1CC2=CC=CC=C2CO1 CS-W016337 [1,0,0,1,0,0|0,0,0]=2 98 B12R2.24 O=C1CNC2=C(C=CC=C2)N1 CS-0046843 [1,0,0,1,0,0|2,0,0]=4 99 B12R2.24 O=C1COC2=CC=CC=C2O1 CS-0062232 [1,0,0,1,0,0|2,0,0]=4 100 B14R2.21 O=C1COC[C@@H](C2=CC=CC=C2)N1 CS-D1768 [0,0,0,1,0,1|2,0,0]=4 101 B14R2.598 CC1NC(=O)CC1C2=CC=CC=C2 CS-0108148 [0,0,0,1,0,1|1,0,0]=3 102 B14R2.926 O=C1CCCN1C2=CC=C(F)C=C2 CS-0094789 [0,1,0,1,0,0|2,0,0]=4 103 B14R2.24 O=C1COCCN1C2=CC=CC=C2 CS-B0474 [0,1,0,1,0,0|1,0,0]=3 104 B14R2.24 O=C1NCCNC1C2=CC=CC=C2 CS-0046854 [0,1,0,1,0,0|1,0,0]=3 105 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 CS-W013344 [1,0,0,0,1,0|1,0,1]=4 106 B10R1.15 COC(=O)C1=CC=CC=N1 CS-W005458 [1,0,0,0,1,0|1,0,0]=3 107 B10R1.15 COC(=O)C1=CN=CN=C1 CS-D0147 [1,0,0,0,1,0|2,0,0]=4 108 B10R1.15 COC(=O)C1=NC=CN=C1 CS-0080007 [1,0,0,0,1,0|2,0,0]=4 109 B10R1.15 COS(=O)C1=CC=CC=C1 CS-M2210 [1,0,0,0,1,0|1,0,0]=3 110 B10R1.15 NNC(=O)C1=CC=CC=C1 CS-W017759 [1,0,0,0,1,0|2,0,0]=4 111 B10R1.15 O=C(CBr)C1=CN=CC=C1 CS-W010052 [1,0,0,0,1,0|2,0,0]=4 112 B10R1.27 COC(=O)CC1=CSC=C1 CS-0019239 [1,0,0,0,1,0|1,0,0]=3 113 B10R1.11 CCOC(=O)C1=COC=C1 CS-W020542 [0,0,0,0,2,0|1,0,0]=3 114 B10R1.11 CCOC(=O)C1=CON=C1 CS-0049560 [0,0,0,0,2,0|2,0,0]=4 115 B14R1.520 CCOC(=O)CCNC1=NC=CC=C1 CS-M2454 [0,0,0,0,0,2|1,0,0]=3 116 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 CS-M0975 [0,0,0,0,0,2|0,0,0]=2 117 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 CS-W010686 [0,0,0,0,0,2|0,0,0]=2