0 B11R1.15 COCC(N)C1=CC=C(O1)C Z271013048 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.11 COCC(N)C1=CC=CO1 Z271013116 [1,0,0,0,0,0|3,0,0]=4 2 B10R1.11 N#CCC(O)C1=CC=CO1 Z1255358418 [1,0,0,0,0,0|2,0,1]=4 3 B10R1.14 CC1=CC=C(O1)/C(=N/O)/C Z49568559 [1,0,0,0,0,0|1,0,2]=4 4 B10R1.14 CC1=CC=C(O1)C(=O)CCl Z1205658134 [1,0,0,0,0,0|2,0,1]=4 5 B10R1.14 CC1=CC=C(O1)C(O)CN Z363991860 [1,0,0,0,0,0|2,0,0]=3 6 B10R1.14 CC1=CC=C(S1)C(N)CO Z803157338 [1,0,0,0,0,0|1,1,1]=4 7 B10R1.14 CC1=CN=C(S1)C(C)CN Z994267508 [1,0,0,0,0,0|2,1,0]=4 8 B10R1.14 CNC(C)C1=CC=C(S1)C Z594413646 [1,0,0,0,0,0|1,1,1]=4 9 B10R1.16 CN1C=C(C=N1)CCC=O Z993017784 [1,0,0,0,0,0|3,0,0]=4 10 B12R1.103 CC(CC(=O)O)C1=CN(N=C1)C Z1434181535 [0,1,0,0,0,0|3,0,0]=4 11 B12R1.103 CC1=CC=C(O1)C(N)CC(=O)O Z317027374 [0,1,0,0,0,0|1,0,0]=2 12 B12R1.103 CC1=CC=C(O1)[C@@H](N)CC(=O)O Z1270400005 [0,1,0,0,0,0|1,0,0]=2 13 B12R1.103 CC1=CN=C(S1)N(C)CC(=O)N Z1883152271 [0,1,0,0,0,0|2,1,0]=4 14 B12R1.103 CC1=NN(C=C1)C(C)CC(=O)O Z1201627632 [0,1,0,0,0,0|2,0,0]=3 15 B12R1.103 N[C@H](CC(=O)O)C1=CC=C(S1)Cl Z1696091894 [0,1,0,0,0,0|2,1,0]=4 16 B12R1.312 CCC1=CC=C(O1)C(N)COC Z1198737862 [0,1,0,0,0,0|3,0,0]=4 17 B10R0.3 CC(=CCCC(C)CC=O)C Z104497952 [0,0,1,0,0,0|1,0,2]=4 18 B12R2.6 CC1=CC=C(O1)C2CCCN2 Z1198169089 [0,0,0,1,0,0|2,0,1]=4 19 B12R2.73 CN1C=C(C=N1)[C@@H]2C[C@H]2C=O Z2827677430 [0,0,0,1,0,0|3,0,0]=4 20 B12R2.76 NC1=NC(=CS1)C2CC(=O)C2 Z4523637398 [0,0,0,1,0,0|3,0,0]=4 21 B9R1.11 CC(CN)C1=CC=CS1 Z803101386 [2,0,0,0,0,0|1,1,0]=4 22 B9R1.11 NC(CO)C1=CC=CO1 Z1255405023 [2,0,0,0,0,0|1,0,1]=4 23 B9R1.12 N#CCCC1=CC=CO1 Z1079179114 [2,0,0,0,0,0|1,0,1]=4 24 B9R1.12 O=C/C=C/C1=CC=CO1 Z3219926044 [2,0,0,0,0,0|0,0,2]=4 25 B9R1.12 O=CCCC1=CSC=C1 Z993017658 [2,0,0,0,0,0|2,0,0]=4 26 B9R1.7 CC1=CC=C(S1)CC=O Z1250885326 [2,0,0,0,0,0|0,1,0]=3 27 B9R1.7 CC1=CC=C(S1)CCN Z3038322398 [2,0,0,0,0,0|1,1,0]=4 28 B9R1.7 CC1=NC=C(O1)CCN Z3251575034 [2,0,0,0,0,0|2,0,0]=4 29 B9R1.7 CNCC1=CC=C(O1)C Z56957484 [2,0,0,0,0,0|1,0,1]=4 30 B9R1.7 NCCC1=CC=C(O1)Br Z1442016604 [2,0,0,0,0,0|2,0,0]=4 31 B9R1.35 CC(=O)C1=CC=C(O1)Br Z147641060 [2,0,0,0,0,0|1,0,1]=4 32 B9R1.35 CC(=O)C1=CC=C(O1)C Z94598638 [2,0,0,0,0,0|0,0,1]=3 33 B9R1.35 CC(C)C1=NN(C=C1)C Z1207150731 [2,0,0,0,0,0|2,0,0]=4 34 B9R1.35 CC1=CC=C(O1)C(=O)N Z33547151 [2,0,0,0,0,0|1,0,1]=4 35 B9R1.35 CC1=CC=C(O1)C(=O)O Z56895714 [2,0,0,0,0,0|1,0,1]=4 36 B9R1.35 CC1=CC=C(O1)C(C)N Z119990422 [2,0,0,0,0,0|1,0,0]=3 37 B9R1.35 CC1=CC=C(S1)C(C)N Z285186066 [2,0,0,0,0,0|1,1,0]=4 38 B9R1.35 CC1=NC(=CS1)C(C)C Z1152201834 [2,0,0,0,0,0|2,0,0]=4 39 B11R1.77 CC(=O)NC(C)C1=CC=CS1 Z28880796 [1,1,0,0,0,0|1,1,0]=4 40 B11R1.77 CC(CC(=O)O)N1C=CC=C1 Z398989776 [1,1,0,0,0,0|2,0,0]=4 41 B11R1.77 CC(CC(=O)O)N1C=CC=N1 Z431537238 [1,1,0,0,0,0|2,0,0]=4 42 B11R1.77 NC(CC(=O)O)C1=CC=CS1 Z221523588 [1,1,0,0,0,0|1,1,0]=4 43 B11R1.6 CC1=CC=C(O1)C(C)(O)CN Z1251333047 [1,1,0,0,0,0|1,0,0]=3 44 B11R1.314 CC(C(=O)O)C1=CC=C(S1)Br Z803101402 [1,1,0,0,0,0|1,1,0]=4 45 B11R1.314 CC(C(=O)O)C1=CC=C(S1)Cl Z803101404 [1,1,0,0,0,0|1,1,0]=4 46 B11R1.314 CC1=CC=C(O1)C(C)C(=O)O Z792377304 [1,1,0,0,0,0|0,0,0]=2 47 B11R1.314 CC1=CC=C(S1)C(C)C(=O)O Z803101406 [1,1,0,0,0,0|0,1,0]=3 48 B11R1.314 CC1=CC=C(S1)C(O)C(=O)[O-] Z1695669920 [1,1,0,0,0,0|1,1,0]=4 49 B11R1.314 CC1=CSC(=N1)C(C)C(=O)[O-] Z2044770094 [1,1,0,0,0,0|2,0,0]=4 50 B11R1.27 CC1=CC=C(O1)/C=N/NC=O Z49645760 [1,1,0,0,0,0|1,0,1]=4 51 B11R1.75 CC(=O)CCC1=CC=C(S1)Cl Z406376898 [1,1,0,0,0,0|1,1,0]=4 52 B11R1.75 CC1=CC=C(O1)/C=C/C(=O)O Z2942851432 [1,1,0,0,0,0|0,0,2]=4 53 B11R1.75 CC1=CC=C(O1)CCC(=O)O Z57248456 [1,1,0,0,0,0|0,0,0]=2 54 B11R1.75 CC1=CC=C(O1)CCC(C)N Z1262252380 [1,1,0,0,0,0|1,0,1]=4 55 B11R1.75 CC1=CC=C(S1)CCC(=O)O Z381359992 [1,1,0,0,0,0|0,1,0]=3 56 B11R1.75 CC1=CNC(=N1)CCC(=O)O Z3181965688 [1,1,0,0,0,0|2,0,0]=4 57 B11R1.75 CC1=CSC(=N1)CCC(=O)O Z1198306714 [1,1,0,0,0,0|2,0,0]=4 58 B11R1.75 CC1=NC(=CS1)CCC(=O)O Z1184876049 [1,1,0,0,0,0|2,0,0]=4 59 B11R1.75 CC1=NC=C(O1)CCC(=O)O Z1255392347 [1,1,0,0,0,0|1,0,0]=3 60 B11R1.75 CC1=NC=C(S1)CCC(=O)O Z1079166524 [1,1,0,0,0,0|1,1,0]=4 61 B11R1.75 CC1=NN=C(O1)CCC(=O)O Z600611092 [1,1,0,0,0,0|2,0,0]=4 62 B11R1.75 CN1C=CC(=C1)CCC(=O)O Z1262521199 [1,1,0,0,0,0|2,0,0]=4 63 B11R1.75 NC(=O)CCC1=CC=C(S1)Cl Z458893400 [1,1,0,0,0,0|1,1,0]=4 64 B11R1.75 O=C(O)CCC1=CC=C(S1)Cl Z381359990 [1,1,0,0,0,0|1,1,0]=4 65 B13R1.132 CC(CC(=O)O)C1=CC=C(C=C1)Br Z1269234118 [0,1,0,0,0,1|2,0,0]=4 66 B13R1.132 CC(CC(=O)O)C1=CC=C(C=C1)F Z352782250 [0,1,0,0,0,1|2,0,0]=4 67 B13R1.132 CC(CC(=O)O)C1=CC=C(C=C1)N Z1262514048 [0,1,0,0,0,1|2,0,0]=4 68 B13R1.132 CC1=CC=C(C=C1)C(C)CC(=O)O Z352782406 [0,1,0,0,0,1|1,0,0]=3 69 B13R1.132 CC1=CC=C(C=C1)C(N)CC(=O)O Z56912034 [0,1,0,0,0,1|2,0,0]=4 70 B13R1.147 CC(CC(=O)O)C1=CC(=CC=C1)F Z352781822 [0,1,0,0,0,1|2,0,0]=4 71 B13R1.147 CC1=CC(=CC=C1)C(N)CC(=O)O Z317027260 [0,1,0,0,0,1|2,0,0]=4 72 B13R1.3424 CC1=CC=C(O1)CN(C)CC(=O)N Z54756667 [0,1,0,0,0,1|1,0,0]=3 73 B13R1.10 CC1=CN=C(O1)C(C)NC(=O)CCl Z1971745650 [0,2,0,0,0,0|2,0,0]=4 74 B13R1.3428 CC1=NC(=CS1)C(C)(N)CC(=O)O Z1834265897 [0,2,0,0,0,0|2,0,0]=4 75 B13R1.3465 CC1=CC(=NN1C(C)CC(=O)O)C Z274553584 [0,2,0,0,0,0|2,0,0]=4 76 B11R1.16 CC(CC=O)C1=CC=CC=C1 Z57921394 [0,0,1,1,0,0|1,0,1]=4 77 B11R2.2 C1=COC(=C1)C2CCNC2 Z940902796 [1,0,0,1,0,0|1,0,1]=4 78 B11R2.11 O=C1CC(C1)C2=NC=CN2 Z3069417652 [1,0,0,1,0,0|2,0,0]=4 79 B11R2.11 O=C1CC(C1)N2C=CC=N2 Z1999515993 [1,0,0,1,0,0|2,0,0]=4 80 B11R2.32 O=C[C@@H]1C[C@H]1C2=CC=CO2 Z3581743888 [1,0,0,1,0,0|0,0,0]=2 81 B11R2.32 O=C[C@@H]1C[C@H]1C2=CC=CS2 Z3581757674 [1,0,0,1,0,0|0,1,0]=3 82 B11R2.32 O=C[C@@H]1C[C@H]1C2=CSC=C2 Z3581743841 [1,0,0,1,0,0|2,0,0]=4 83 B13R2.42 O=CC1CC1C2=CC=C(C=C2)F Z1255463273 [0,0,0,1,0,1|2,0,0]=4 84 B13R2.42 O=C[C@@H]1C[C@H]1C2=CC=C(C=C2)F Z2307166680 [0,0,0,1,0,1|2,0,0]=4 85 B13R2.147 CC1=CC=C(C=C1)C2CC(=O)N2 Z1238837490 [0,0,0,1,0,1|2,0,0]=4 86 B13R2.147 O=C1CC(C1)C2=CC=C(C=C2)Br Z385459408 [0,0,0,1,0,1|2,0,0]=4 87 B13R2.147 O=C1CC(C1)C2=CC=C(C=C2)F Z444338412 [0,0,0,1,0,1|2,0,0]=4 88 B13R2.151 CC1=CC(=CC=C1)C2CC(=O)C2 Z444344078 [0,0,0,1,0,1|1,0,0]=3 89 B13R2.10 CC1=CC=C(O1)C2CCCCN2 Z1198171821 [0,1,0,1,0,0|1,0,1]=4 90 B13R2.10 CC1=CC=C(O1)C2CNCCO2 Z397586710 [0,1,0,1,0,0|1,0,1]=4 91 B13R2.10 CC1=CC=C(O1)C2COCCN2 Z1198746349 [0,1,0,1,0,0|0,0,2]=4 92 B13R2.10 CC1=CC=C(O1)C2CSCCN2 Z1218937163 [0,1,0,1,0,0|0,1,1]=4 93 B13R2.11 O=C1CC(CN1)C2=CC=C(S2)Br Z3006185117 [0,1,0,1,0,0|1,1,0]=4 94 B13R2.2978 CC1=CC=C(S1)[C@@H]2C[C@H]2C(=O)O Z2242045784 [0,1,0,1,0,0|0,1,0]=3 95 B13R2.2978 CN1C=CC(=C1)[C@@H]2C[C@H]2C(=O)O Z2242032526 [0,1,0,1,0,0|2,0,0]=4 96 B13R2.2978 CN1C=CC(=N1)[C@@H]2C[C@H]2C(=O)O Z3037401456 [0,1,0,1,0,0|2,0,0]=4 97 B13R2.2978 O=C(O)[C@@H]1C[C@H]1C2=CC=C(S2)Cl Z2309898851 [0,1,0,1,0,0|1,1,0]=4 98 B11R1.22 CC(C=O)C1=CC=C(C=C1)Br Z1269114153 [1,0,0,0,0,1|2,0,0]=4 99 B11R1.22 CC(C=O)C1=CC=C(C=C1)Cl Z1198334992 [1,0,0,0,0,1|2,0,0]=4 100 B11R1.22 CC(C=O)C1=CC=C(C=C1)F Z1255400140 [1,0,0,0,0,1|2,0,0]=4 101 B11R1.22 CC1=CC=C(C=C1)C(C)C=O Z1198150045 [1,0,0,0,0,1|1,0,0]=3 102 B11R1.22 CC1=CC=C(C=C1)C(C)CN Z415654970 [1,0,0,0,0,1|2,0,0]=4 103 B11R1.1 CC1=NC=C(C=C1)CCC=O Z1233208116 [1,0,0,0,0,1|1,0,0]=3 104 B11R1.1 O=CCCC1=CC=C(C=C1)Br Z993017756 [1,0,0,0,0,1|2,0,0]=4 105 B11R1.1 O=CCCC1=CC=C(C=C1)Cl Z993017742 [1,0,0,0,0,1|2,0,0]=4 106 B11R1.1 O=CCCC1=CC=C(C=C1)F Z993017748 [1,0,0,0,0,1|2,0,0]=4 107 B11R1.24 CC1=CC(=CN=C1)CCC=O Z1492427371 [1,0,0,0,0,1|1,0,0]=3 108 B11R1.24 O=CCCC1=CC=CC(=C1)Cl Z993017744 [1,0,0,0,0,1|2,0,0]=4 109 B11R1.24 O=CCCC1=CC=CC(=C1)F Z993017622 [1,0,0,0,0,1|2,0,0]=4 110 B11R1.24 O=CCCC1=CN=CC(=C1)F Z1233207916 [1,0,0,0,0,1|2,0,0]=4