0 B12R1.30 C#CCOC(=O)C1=CC=CN=C1 8276AD [0,0,0,0,0,0|1,0,2]=3 1 B12R1.30 C=CCOC(=O)C1=CC=NC=C1 8094AL [0,0,0,0,0,0|1,0,2]=3 2 B12R1.30 CCCCC(=O)C1=CC=CN=C1 8729AA [0,0,0,0,0,0|2,0,0]=2 3 B12R1.30 CCCCC(=O)C1=CC=NC=C1 8730AA [0,0,0,0,0,0|2,0,0]=2 4 B12R1.30 CCCCC(=O)C1=NC=CN=C1 5634AB [0,0,0,0,0,0|3,0,0]=3 5 B12R1.30 C[C@@H](NCCO)C1=CC=CC=C1 2547AC [0,0,0,0,0,0|3,0,1]=4 6 B12R1.30 NCCCC(=O)C1=CC=CN=C1 2606AJ [0,0,0,0,0,0|3,0,0]=3 7 B12R1.30 NCCCC(=O)C1=CN=CC=C1 2616AJ [0,0,0,0,0,0|3,0,0]=3 8 B12R1.30 NCCNC(=O)C1=CC=CC=C1 4647AD [0,0,0,0,0,0|2,0,0]=2 9 B12R1.30 NCCNC(=O)C1=CN=CC=C1 3769AF [0,0,0,0,0,0|3,0,0]=3 10 B12R1.30 NCCNC(=O)C1=NC=CC=C1 7830AC [0,0,0,0,0,0|3,0,0]=3 11 B12R1.30 NCCNC(=O)C1=NC=CN=C1 4354AJ [0,0,0,0,0,0|4,0,0]=4 12 B12R1.30 O=C(NCCO)C1=CC=NC=C1 9459AB [0,0,0,0,0,0|3,0,0]=3 13 B12R1.30 O=CNCC(=O)C1=CC=CC=C1 1383AC [0,0,0,0,0,0|3,0,1]=4 14 B11R1.16 CC(CCN)C1=CC=CC=C1 2059AE [1,0,0,0,0,0|2,0,1]=4 15 B11R1.16 CCCC(N)C1=CC=NC=C1 4969AJ [1,0,0,0,0,0|2,0,1]=4 16 B11R1.16 CCCC(N)C1=CN=CC=C1 4944AJ [1,0,0,0,0,0|2,0,1]=4 17 B11R1.16 CCCC(N)C1=NC=CC=C1 5079AC [1,0,0,0,0,0|2,0,1]=4 18 B11R1.16 CCNC(C)C1=CC=CC=C1 7343AC [1,0,0,0,0,0|2,0,1]=4 19 B11R1.16 CCOC(=N)C1=CC=NC=C1 Y9045 [1,0,0,0,0,0|2,0,0]=3 20 B11R1.16 CCOC(=O)C1=CC=NN=C1 5094AB [1,0,0,0,0,0|2,0,0]=3 21 B11R1.16 CN(CCN)C1=CC=CC=C1 5337AD [1,0,0,0,0,0|3,0,0]=4 22 B11R1.16 CNCC(C)C1=CC=CC=C1 3764AF [1,0,0,0,0,0|2,0,1]=4 23 B11R1.16 CNCC(C)C1=CC=CC=C1 6409AE [1,0,0,0,0,0|2,0,1]=4 24 B11R1.16 C\C=C\C(=O)C1=CC=CC=C1 6705AB [1,0,0,0,0,0|0,0,2]=3 25 B11R1.16 ClCCC(Br)C1=CC=CC=C1 V4390 [1,0,0,0,0,0|2,0,1]=4 26 B11R1.16 N#CNC(=O)C1=CC=CC=C1 4699AD [1,0,0,0,0,0|2,0,1]=4 27 B11R1.16 O=C(\C=C\Cl)C1=CC=CC=C1 0138AQ [1,0,0,0,0,0|1,0,2]=4 28 B11R1.28 C=CCOBrC1=CC=CC=C1 X5225 [1,0,0,0,0,0|1,0,2]=4 29 B11R1.28 CNCCCC1=CC=CC=C1 1600AB [1,0,0,0,0,0|2,0,1]=4 30 B11R1.28 CNCCCC1=CC=CC=C1 3594AL [1,0,0,0,0,0|2,0,1]=4 31 B11R1.28 ClCCCOC1=CC=CC=C1 0684AE [1,0,0,0,0,0|3,0,0]=4 32 B11R1.28 ClCCNCC1=CC=CC=C1 3046AE [1,0,0,0,0,0|2,0,1]=4 33 B11R1.28 ClCCNCC1=CC=CC=C1 7007AE [1,0,0,0,0,0|2,0,1]=4 34 B11R1.28 ClCCOCC1=CC=CC=C1 8862AA [1,0,0,0,0,0|1,0,1]=3 35 B11R1.28 NOCOCC1=CC=CC=C1 2357AF [1,0,0,0,0,0|2,0,1]=4 36 B13R1.11 CC(CO)NC(=O)C1=CC=CC=C1 1881AB [0,1,0,0,0,0|2,0,0]=3 37 B13R1.17 CCCNC(=O)C1=CC=C(N)C=C1 2236AE [0,1,0,0,0,0|1,0,0]=2 38 B13R1.17 CCCNC(=O)C1=NC=C(Br)C=C1 V7934 [0,1,0,0,0,0|2,0,0]=3 39 B13R1.17 NCCNC(=O)C1=CC=C(Cl)C=N1 3770AH [0,1,0,0,0,0|3,0,0]=4 40 B13R1.17 O=C(CCCBr)C1=CC=C(F)C=C1 X6243 [0,1,0,0,0,0|2,0,0]=3 41 B13R1.18 C=CCNC(=O)C1=CC(Cl)=CC=C1 1358AE [0,1,0,0,0,0|1,0,2]=4 42 B13R1.18 CCCCS(=O)C1=CC(Br)=CC=C1 Z8347 [0,1,0,0,0,0|2,0,0]=3 43 B13R1.18 CCCNC(=O)C1=CC=CC(N)=C1 0123AF [0,1,0,0,0,0|1,0,0]=2 44 B13R1.18 CCCNC(=O)C1=NC=CC(Cl)=C1 V7343 [0,1,0,0,0,0|2,0,0]=3 45 B13R1.18 N#CCCC(=O)C1=CC(Cl)=CC=C1 2518AL [0,1,0,0,0,0|2,0,1]=4 46 B13R1.18 O=C(CCCCl)C1=CC(Cl)=CC=C1 2812AF [0,1,0,0,0,0|2,0,0]=3 47 B13R1.24 CC(NCCCN)C1=CC=CC=C1 4863AE [0,1,0,0,0,0|2,0,1]=4 48 B13R1.24 CCCCCC(=O)C1=CN=CC=C1 2635AC [0,1,0,0,0,0|2,0,0]=3 49 B13R1.24 CCCCCC(=O)C1=NC=CC=C1 5823AB [0,1,0,0,0,0|2,0,0]=3 50 B13R1.24 CCCCCC(=O)C1=NC=CN=C1 4721AA [0,1,0,0,0,0|3,0,0]=4 51 B13R1.24 N#CCCCC(=O)C1=CC=CC=C1 7949AC [0,1,0,0,0,0|1,0,1]=3 52 B13R1.24 NCCCNC(=O)C1=NC=CC=C1 9899AE [0,1,0,0,0,0|2,0,0]=3 53 B13R1.45 CC(C)=NOC(=O)C1=CC=CC=C1 7007AL [0,1,0,0,0,0|1,0,1]=3 54 B13R1.45 CC(O)CNC(=O)C1=CC=CC=C1 7164AJ [0,1,0,0,0,0|1,0,0]=2 55 B13R1.47 C=C(C(=O)OCC)C1=CC=CC=C1 1276AB [0,1,0,0,0,0|3,0,0]=4 56 B13R1.122 CNCCS(=O)(=O)C1=CC=CC=C1 4175AH [0,1,0,0,0,0|3,0,0]=4 57 B13R1.122 NCCOS(=O)(=O)C1=CC=CC=C1 2041AC [0,1,0,0,0,0|2,0,0]=3 58 B13R1.122 O=S(=O)(NCCO)C1=CC=CC=C1 6415AE [0,1,0,0,0,0|3,0,0]=4 59 B13R1.674 C#CCNC(=O)C1=C(N)C=CC=C1 4254AE [0,1,0,0,0,0|1,0,2]=4 60 B13R1.674 CCCNC(=O)C1=CC=CC=C1Br V5354 [0,1,0,0,0,0|1,0,0]=2 61 B13R1.674 CCCNC(=O)C1=CC=CN=C1Cl 5011AE [0,1,0,0,0,0|2,0,0]=3 62 B13R2.3 C1=CC=C(C2=CCNCC2)C=C1 H332 [0,0,0,1,0,0|3,0,0]=4 63 B13R2.3 C1=CC=C(C2=CCOCC2)C=C1 Y8690 [0,0,0,1,0,0|3,0,0]=4 64 B13R2.3 C1=CC=C(C2CNCCO2)C=C1 Y5355 [0,0,0,1,0,0|2,0,1]=4 65 B13R2.3 C1=CC=C([C@H]2CCCCN2)C=C1 X3798 [0,0,0,1,0,0|2,0,1]=4 66 B13R2.3 C1=CC=C([C@H]2CNCCO2)C=C1 1584AC [0,0,0,1,0,0|2,0,1]=4 67 B13R2.10 CC1=COC(C2=CC=CC=C2)=N1 Y4446 [0,0,0,1,0,0|1,0,2]=4 68 B13R2.371 O=C1CCC(O)C2=CC=CC=C12 0747AB [0,0,0,1,0,0|2,0,0]=3 69 B13R2.371 O=C1COC(=O)C2=CC=CC=C12 Z2304 [0,0,0,1,0,0|1,0,1]=3 70 B13R2.2931 N#CC1OC(=O)C2=CC=CC=C21 0185AQ [0,0,0,1,0,0|1,0,1]=3 71 B13R2.5252 O=C1CCCSC2=CC=CC=C12 1335AJ [0,0,0,1,0,0|2,0,0]=3 72 B13R2.5252 O=C1NCCOC2=CC=CC=C12 0902AC [0,0,0,1,0,0|2,0,0]=3 73 B13R2.5252 O=C1NCCSC2=CC=CC=C12 1860AL [0,0,0,1,0,0|2,0,0]=3 74 B13R2.8137 NC(C1=CC=CC=C1)C2CCC2 6578AJ [0,0,0,1,0,0|2,0,1]=4 75 B11R1.29 CCCCC(=O)C1=CC=CO1 Z5508 [0,0,0,0,1,0|2,0,0]=3 76 B11R1.29 CCCCC(=O)C1=CC=CS1 Z5534 [0,0,0,0,1,0|2,0,0]=3 77 B11R1.29 CCSCC(=O)C1=CC=CS1 5708AB [0,0,0,0,1,0|3,0,0]=4 78 B11R1.29 NCCNC(=O)C1=CC=CO1 0052AF [0,0,0,0,1,0|3,0,0]=4 79 B11R1.29 NCCNC(=O)C1=CC=CS1 8732AB [0,0,0,0,1,0|3,0,0]=4 80 B13R1.44 NCCNC(=O)NC1=CC=CC=C1 4504AH [0,0,0,0,0,1|2,0,0]=3 81 B13R1.44 O=C(NCCCl)NC1=CC=NC=C1 6906AE [0,0,0,0,0,1|3,0,0]=4 82 B13R1.44 O=C(NCCCl)NC1=CN=CC=C1 6727AA [0,0,0,0,0,1|3,0,0]=4 83 B10R0.71 C=C\C=C\C=C\CCCCC 4500AL [1,0,1,0,0,0|1,0,1]=4 84 B10R1.15 C#CC(=O)C1=CC=CC=C1 0047AQ [2,0,0,0,0,0|0,0,2]=4 85 B10R1.15 C=C(CBr)C1=CC=CC=C1 Z4610 [2,0,0,0,0,0|2,0,0]=4 86 B10R1.15 CCC(=O)C1=CC=NC=C1 8726AA [2,0,0,0,0,0|1,0,0]=3 87 B10R1.15 CCC(=O)C1=NC=CN=C1 7151AB [2,0,0,0,0,0|2,0,0]=4 88 B10R1.15 CCC(Cl)C1=CC=CC=C1 1017AL [2,0,0,0,0,0|1,0,1]=4 89 B10R1.15 CCC(N)C1=CC=CC=C1 8188AD [2,0,0,0,0,0|1,0,1]=4 90 B10R1.15 COC(=O)N1C=CC=CC1 3960AB [2,0,0,0,0,0|1,0,1]=4 91 B10R1.15 NCC(=O)C1=CN=CC=C1 1455AJ [2,0,0,0,0,0|2,0,0]=4 92 B10R1.15 O=C(CBr)C1=CC=NC=C1 9348AB [2,0,0,0,0,0|2,0,0]=4 93 B10R1.15 O=C(CBr)C1=CN=CC=C1 9347AB [2,0,0,0,0,0|2,0,0]=4 94 B10R1.15 O=C(CCl)C1=CC=NC=C1 5498AJ [2,0,0,0,0,0|2,0,0]=4 95 B10R1.15 O=C(N[O-])C1=CC=CC=C1 8985AL [2,0,0,0,0,0|2,0,0]=4 96 B10R1.17 CCCCC1=CC=CN=C1 X7086 [2,0,0,0,0,0|1,0,1]=4 97 B10R1.17 CCCCC1=NC=CC=C1 S413 [2,0,0,0,0,0|1,0,1]=4 98 B10R1.17 NCCOC1=CC=CN=C1 Z4583 [2,0,0,0,0,0|2,0,0]=4 99 B10R1.17 NCCOC1=CC=NC=C1 1280AJ [2,0,0,0,0,0|2,0,0]=4 100 B10R1.17 NCCOC1=CC=NC=C1 2194AB [2,0,0,0,0,0|2,0,0]=4 101 B10R1.17 NCCSC1=CC=CC=C1 6800AD [2,0,0,0,0,0|1,1,0]=4 102 B10R1.17 O=CCOC1=CC=CC=C1 0811AB [2,0,0,0,0,0|1,0,1]=4 103 B12R1.16 CCNC(=O)C1=CC=C(N)C=C1 2319AF [1,1,0,0,0,0|1,0,0]=3 104 B12R1.16 CCNC(=O)C1=NC=C(Br)C=C1 V7933 [1,1,0,0,0,0|2,0,0]=4 105 B12R1.16 CCOC(=O)C1=CC=[N+]([O-])C=C1 4591AD [1,1,0,0,0,0|1,0,0]=3 106 B12R1.16 CCOC(=O)C1=CN=C(C)N=C1 Z4406 [1,1,0,0,0,0|2,0,0]=4 107 B12R1.16 CCOC(=O)C1=NC=C(Cl)C=C1 3468AD [1,1,0,0,0,0|1,0,0]=3 108 B12R1.16 CCOC(=O)C1=NC=C(Cl)C=N1 6793AJ [1,1,0,0,0,0|2,0,0]=4 109 B12R1.16 CCOC(=O)C1=NC=C(F)C=C1 4575AD [1,1,0,0,0,0|1,0,0]=3 110 B12R1.16 CCOC(=O)C1=NC=C(O)N=C1 7743AB [1,1,0,0,0,0|2,0,0]=4 111 B12R1.16 CCOC(=O)C1=NNC(=O)C=C1 9553AB [1,1,0,0,0,0|2,0,0]=4 112 B12R1.16 N#CCC(=O)C1=CC=C(I)C=C1 0579AB [1,1,0,0,0,0|1,0,1]=4 113 B12R1.16 O=C(CCO)C1=CC=C(O)C=C1 5738AJ [1,1,0,0,0,0|1,0,0]=3 114 B12R1.17 CC1=CC(C(=O)CCCl)=CC=C1 2531AF [1,1,0,0,0,0|1,0,0]=3 115 B12R1.17 CCNC(=O)C1=CC(N)=CC=C1 0122AF [1,1,0,0,0,0|1,0,0]=3 116 B12R1.17 CCNC(=O)C1=NC=CC(Cl)=C1 V6865 [1,1,0,0,0,0|2,0,0]=4 117 B12R1.17 CCOC(=N)C1=CC(C)=CC=C1 7999AB [1,1,0,0,0,0|1,0,0]=3 118 B12R1.17 CCOC(=O)C1=CC(C)=NC=C1 0051AC [1,1,0,0,0,0|1,0,0]=3 119 B12R1.17 CCOC(=O)C1=CC=NC(=O)N1 9725AD [1,1,0,0,0,0|2,0,0]=4 120 B12R1.17 CCOC(=O)C1=CN=CC(N)=C1 8908AA [1,1,0,0,0,0|1,0,0]=3 121 B12R1.17 CCOC(=O)C1=CN=CC(O)=C1 Z8250 [1,1,0,0,0,0|1,0,0]=3 122 B12R1.17 CCOC(=O)C1=NC(Cl)=CN=C1 8180AA [1,1,0,0,0,0|2,0,0]=4 123 B12R1.17 CCOC(=O)C1=NC=CC(C)=C1 8766AB [1,1,0,0,0,0|1,0,0]=3 124 B12R1.17 CCOC(=O)C1=NC=CC(N)=N1 W8041 [1,1,0,0,0,0|2,0,0]=4 125 B12R1.17 N#CCC(=O)C1=CC=CC(I)=C1 5351AH [1,1,0,0,0,0|1,0,1]=4 126 B12R1.34 CCC(Br)C(=O)C1=NC=CC=C1 Z8146 [1,1,0,0,0,0|1,0,0]=3 127 B12R1.107 CC(C)CC(N)C1=CC=CC=C1 W6216 [1,1,0,0,0,0|1,0,1]=4 128 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 X9200 [1,1,0,0,0,0|1,0,1]=4 129 B12R1.107 CC(C)NC(=O)C1=CC=CC=C1 W6864 [1,1,0,0,0,0|1,0,0]=3 130 B12R1.107 C[S+](C)CC(=O)C1=CC=CC=C1 7718AL [1,1,0,0,0,0|1,0,0]=3 131 B12R1.308 C=C(OCC)C1=C(C)C=CN=C1 W6934 [1,1,0,0,0,0|2,0,0]=4 132 B12R1.308 C=COC(=O)C1=C(Cl)C=CC=C1 5569AL [1,1,0,0,0,0|0,0,2]=4 133 B12R1.308 CCCC(=O)C1=NC=CC=C1C Z8832 [1,1,0,0,0,0|1,0,0]=3 134 B12R1.308 CCNC(=O)C1=CC=CC=C1N V5157 [1,1,0,0,0,0|1,0,0]=3 135 B12R1.308 CCNC(=O)C1=CC=CN=C1Cl 5010AE [1,1,0,0,0,0|2,0,0]=4 136 B12R1.308 CCOC(=O)C1=C(C)C=CN=C1 9610AB [1,1,0,0,0,0|1,0,0]=3 137 B12R1.308 CCOC(=O)C1=C(C)N=CC=N1 6741AJ [1,1,0,0,0,0|2,0,0]=4 138 B12R1.308 CCOC(=O)C1=C(Cl)N=NC=C1 7125AA [1,1,0,0,0,0|2,0,0]=4 139 B12R1.308 CCOC(=O)C1=C(F)C=CC=N1 0661AD [1,1,0,0,0,0|1,0,0]=3 140 B12R1.308 CCOC(=O)C1=C(N)C=NC=C1 2144AJ [1,1,0,0,0,0|1,0,0]=3 141 B12R1.308 CCOC(=O)C1=CC=NN=C1C 6927AC [1,1,0,0,0,0|2,0,0]=4 142 B12R1.308 CCOC(=O)C1=CC=NN=C1N V7450 [1,1,0,0,0,0|2,0,0]=4 143 B12R1.308 CCOC(=O)C1=CN=CC=C1N 8692AA [1,1,0,0,0,0|1,0,0]=3 144 B12R1.308 N#CCC(=O)C1=CC=CC=C1F Y8698 [1,1,0,0,0,0|1,0,1]=4 145 B12R1.308 N#CCC(=O)C1=CC=CC=C1I 5072AH [1,1,0,0,0,0|1,0,1]=4 146 B12R1.1 N(CCC)CC1=CC=C(Cl)C=C1 5502AE [1,1,0,0,0,0|1,0,1]=4 147 B12R1.8 CNCCCOC1=CC=CC=C1 5970AA [1,1,0,0,0,0|2,0,0]=4 148 B12R1.8 CNCCNCC1=CC=CC=C1 3159AL [1,1,0,0,0,0|1,0,1]=4 149 B12R1.8 NCCCOCC1=CC=CC=C1 8527AA [1,1,0,0,0,0|0,0,1]=3 150 B12R1.8 NCCOCCC1=CC=CC=C1 0341AD [1,1,0,0,0,0|1,0,1]=4 151 B12R1.8 OCCC\C=C\C1=CC=CC=C1 1994AH [1,1,0,0,0,0|1,0,0]=3 152 B12R1.27 CCC(O)C#CC1=CC=CC=C1 1009AQ [1,1,0,0,0,0|1,0,1]=4 153 B12R1.28 CCCCCC1=CC(F)=CC=C1 2810AB [1,1,0,0,0,0|1,0,1]=4 154 B12R1.28 CCCCOC1=CC=CC(N)=C1 7849AD [1,1,0,0,0,0|2,0,0]=4 155 B12R1.252 CC(N)CCCC1=CC=CC=C1 7584AD [1,1,0,0,0,0|1,0,1]=4 156 B12R1.252 CC(O)CNCC1=CC=CC=C1 2537AB [1,1,0,0,0,0|1,0,1]=4 157 B12R1.267 CCCCOC1=CC=CC=C1N 3822AE [1,1,0,0,0,0|2,0,0]=4 158 B12R1.267 CCCSCC1=CC=CC=C1Br Z8838 [1,1,0,0,0,0|0,1,1]=4 159 B12R1.267 COCOCC1=C(Br)C=CC=C1 6088AC [1,1,0,0,0,0|1,0,1]=4 160 B12R1.35 NCCCNC(=O)C1=CC=CO1 0344AD [0,1,0,0,1,0|2,0,0]=4 161 B14R1.33 CC1=CC=C(OC(=O)CCCCl)C=C1 7843AD [0,1,0,0,0,1|2,0,0]=4 162 B14R1.33 CCCCS(=O)CC1=CC=C(Br)C=C1 Z9384 [0,1,0,0,0,1|2,0,0]=4 163 B14R1.33 O=C(NCCCl)NC1=CC=C(Br)C=C1 4697AD [0,1,0,0,0,1|2,0,0]=4 164 B14R1.33 O=C(NCCCl)NC1=CC=C(F)C=C1 6725AA [0,1,0,0,0,1|2,0,0]=4 165 B14R1.10 CCC(C)NC(=O)C1=CC=C(N)C=C1 9927AD [0,2,0,0,0,0|1,0,0]=3 166 B14R1.19 CCCCCC(=O)C1=CC=C(N)C=C1 6401AL [0,2,0,0,0,0|1,0,0]=3 167 B14R1.19 CCCCNC(=O)C1=CC=C(Br)C=C1 V7751 [0,2,0,0,0,0|1,0,0]=3 168 B14R1.19 CCCCNC(=O)C1=CC=C(N)C=C1 4613AE [0,2,0,0,0,0|1,0,0]=3 169 B14R1.19 COCCNC(=O)C1=CC=C(N)C=C1 Y6526 [0,2,0,0,0,0|1,0,0]=3 170 B14R1.19 O=C(CCCCCl)C1=CC=C(F)C=C1 5529AD [0,2,0,0,0,0|1,0,0]=3 171 B14R1.35 O=C(C1=CC=C(Cl)C=C1)C(Br)CCCl X4341 [0,2,0,0,0,0|2,0,0]=4 172 B14R1.125 CC1=CC=C(S(=O)(=O)OCCCl)C=C1 9961AE [0,2,0,0,0,0|2,0,0]=4 173 B14R1.125 CCCCS(=O)(=O)C1=CC=C(Br)C=C1 V5779 [0,2,0,0,0,0|2,0,0]=4 174 B14R1.678 CC(C)CNC(=O)C1=CC=C(Br)C=C1 V3616 [0,2,0,0,0,0|1,0,0]=3 175 B14R1.678 CC1=CC=C(C(=O)CCN(C)C)C=C1 5709AJ [0,2,0,0,0,0|2,0,0]=4 176 B14R1.678 CN(C)CCC(=O)C1=CC=C(O)C=C1 0829AB [0,2,0,0,0,0|2,0,0]=4 177 B14R1.678 CN(C)CCC(=O)C1=CC=C(O)C=C1 4299AB [0,2,0,0,0,0|2,0,0]=4 178 B14R1.941 CC1=CC=C(C(=O)OCCCl)C=C1N 2867AC [0,2,0,0,0,0|1,0,0]=3 179 B14R1.941 CCCCC(=O)C1=CC=C(Br)C(C)=C1 Z9537 [0,2,0,0,0,0|1,0,0]=3 180 B14R1.941 CCCCC(=O)C1=CC=C(Cl)C(Br)=C1 Z9417 [0,2,0,0,0,0|1,0,0]=3 181 B14R1.941 O=C(NCCO)C1=CC(Cl)=C(Cl)C=C1 9105AD [0,2,0,0,0,0|2,0,0]=4 182 B14R1.2523 CCCCC(=O)C1=CC=C(Br)C=C1F Z9550 [0,2,0,0,0,0|1,0,0]=3 183 B14R1.2523 O=C(NCCO)C1=CC=C(Cl)C=C1Cl 7015AD [0,2,0,0,0,0|2,0,0]=4 184 B14R1.2523 O=C(NCCO)C1=CC=C(O)C=C1O S340 [0,2,0,0,0,0|2,0,0]=4 185 B14R1.20 CCCCNC(=O)C1=NC=CC(Cl)=C1 Z7265 [0,2,0,0,0,0|2,0,0]=4 186 B14R1.20 COCCNC(=O)C1=CC=CC(N)=C1 5386AD [0,2,0,0,0,0|1,0,0]=3 187 B14R1.36 CCOC(=O)C(=O)C1=CC=CC(C)=C1 7691AE [0,2,0,0,0,0|2,0,0]=4 188 B14R1.36 CCOC(=O)C(=O)C1=CC=CC(Cl)=C1 W7418 [0,2,0,0,0,0|2,0,0]=4 189 B14R1.126 CCCCS(=O)(=O)C1=CC(Br)=CC=C1 Z8348 [0,2,0,0,0,0|2,0,0]=4 190 B14R1.918 CCCCC(=O)C1=CC(Br)=CC=C1F Z9418 [0,2,0,0,0,0|1,0,0]=3 191 B14R1.918 CCCNC(=O)C1=CC(Br)=CC=C1Cl V8772 [0,2,0,0,0,0|1,0,0]=3 192 B14R1.918 CCCNC(=O)C1=CC(F)=CC=C1Br V9520 [0,2,0,0,0,0|1,0,0]=3 193 B14R1.923 C=CCOC(=O)C1=CC(C)=CC(N)=C1 Y7621 [0,2,0,0,0,0|0,0,2]=4 194 B14R1.923 CCCNC(=O)C1=CC(F)=CC(Br)=C1 Z9663 [0,2,0,0,0,0|1,0,0]=3 195 B14R1.38 CCCCCCC(=O)C1=CC=CC=N1 9120AB [0,2,0,0,0,0|2,0,0]=4 196 B14R1.38 CCCCCCC(=O)C1=CC=NC=C1 3747AB [0,2,0,0,0,0|2,0,0]=4 197 B14R1.38 CCCCCCC(=O)C1=CN=CC=C1 9536AB [0,2,0,0,0,0|2,0,0]=4 198 B14R1.38 N#CCCCCC(=O)C1=CC=CC=C1 9110AD [0,2,0,0,0,0|1,0,0]=3 199 B14R1.38 O=C(CCCCCCl)C1=CC=CC=C1 3987AF [0,2,0,0,0,0|1,0,0]=3 200 B14R1.46 O=S(=O)(CCCCCl)C1=CC=CC=C1 Y1266 [0,2,0,0,0,0|2,0,0]=4 201 B14R1.163 CNC(=O)CNC(=O)C1=CC=CC=C1 2066AB [0,2,0,0,0,0|1,0,1]=4 202 B14R1.420 CC(C)=CCOC(=O)C1=CC=CC=C1 7122AL [0,2,0,0,0,0|0,0,1]=3 203 B14R1.420 CC(C)C=NNC(=O)C1=CC=CC=C1 7156AE [0,2,0,0,0,0|1,0,1]=4 204 B14R1.1035 CCCCNC(=O)C1=C(Cl)N=CC=C1 5654AE [0,2,0,0,0,0|2,0,0]=4 205 B14R1.1035 COCCNC(=O)C1=CC=CC=C1N 3967AE [0,2,0,0,0,0|1,0,0]=3 206 B14R1.1035 NC1=CC=CC=C1C(=O)NCCCO 9747AD [0,2,0,0,0,0|1,0,0]=3 207 B14R1.178 CCCCN(C(C)=O)C1=CC=CC=C1 K665 [0,2,0,0,0,0|2,0,0]=4 208 B14R1.160 CC(C)CNC(=O)C1=CC=CN=C1Cl 6401AE [0,2,0,0,0,0|2,0,0]=4 209 B14R1.3098 O=C(CCC(F)(F)F)C1=CC=CC=C1 1068AC [0,2,0,0,0,0|2,0,0]=4 210 B14R1.3348 CCOC(=O)C(=O)C1=CC=CC=C1F 9512AA [0,2,0,0,0,0|2,0,0]=4 211 B14R1.4230 CCCCS(=O)(=O)C1=CC=CC=C1N V7684 [0,2,0,0,0,0|2,0,0]=4 212 B14R1.4230 CCCNS(=O)(=O)C1=CC=CC=C1Br V9503 [0,2,0,0,0,0|2,0,0]=4 213 B14R1.4230 CCCNS(=O)(=O)C1=CC=CC=C1N W6283 [0,2,0,0,0,0|2,0,0]=4 214 B12R1.121 CCCOC1=NC=CC=C1C=O 5110AH [0,0,1,1,0,0|2,0,0]=4 215 B12R2.2 C1=CC=C(C2CCCC2)C=C1 8394AE [1,0,0,1,0,0|1,0,1]=4 216 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 9247AJ [1,0,0,1,0,0|1,0,1]=4 217 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 9228AJ [1,0,0,1,0,0|1,0,1]=4 218 B12R2.2 C1=CC=C([S+]2CCCC2)C=C1 0152AF [1,0,0,1,0,0|2,0,0]=4 219 B12R2.116 NC1(C2=CC=CC=C2)CCC1 8972AA [1,0,0,1,0,0|1,0,1]=4 220 B12R2.1081 NC1CCCC2=CC=CC=C21 6757AB [1,0,0,1,0,0|1,0,1]=4 221 B12R2.1081 N[C@@H]1CCCC2=CC=CC=C21 B572 [1,0,0,1,0,0|1,0,1]=4 222 B12R2.1081 O=C1CCCC2=C1C=CN=C2 0827AA [1,0,0,1,0,0|1,0,0]=3 223 B12R2.1081 O=C1CCCC2=C1C=CN=C2 1097AB [1,0,0,1,0,0|1,0,0]=3 224 B12R2.1081 O=C1CCNC2=C1C=CC=C2 B382 [1,0,0,1,0,0|1,0,0]=3 225 B12R2.1081 O=C1CCOC2=CC=CN=C12 Z4709 [1,0,0,1,0,0|2,0,0]=4 226 B12R2.1081 O=C1NCCC2=C1C=CC=N2 Y7639 [1,0,0,1,0,0|2,0,0]=4 227 B12R2.1081 O[C@@H]1CCCC2=CC=CC=C21 1543AB [1,0,0,1,0,0|0,0,2]=4 228 B12R2.2075 NC(C1=CC=CC=C1)C2CC2 X6396 [1,0,0,1,0,0|1,0,1]=4 229 B12R2.2075 N[C@H](C1=CC=CC=C1)C2CC2 W8707 [1,0,0,1,0,0|1,0,1]=4 230 B12R2.2075 O=C(C1=CC=CN=C1)C2CC2 6581AJ [1,0,0,1,0,0|1,0,0]=3 231 B12R2.2075 O=C(C1=NC=CC=C1)C2CC2 6580AJ [1,0,0,1,0,0|1,0,0]=3 232 B12R2.1 CCN1C=CC2=CC=CC=C21 1334AA [1,0,0,1,0,0|2,0,0]=4 233 B12R2.41 C1=CC=C2CNCCCC2=C1 W8089 [1,0,0,1,0,0|1,0,1]=4 234 B12R2.2057 C1=CC=C(CNC2CC2)C=C1 V5734 [1,0,0,1,0,0|1,0,1]=4 235 B12R2.2057 C1=CC=C(CNC2CC2)C=C1 Z9695 [1,0,0,1,0,0|1,0,1]=4 236 B14R2.24 O=C1CNCCN1C2=CC=CC=C2 9966AH [0,0,0,1,0,1|2,0,0]=4 237 B14R2.24 O=C1NCCNC1C2=CC=CC=C2 W6804 [0,0,0,1,0,1|2,0,0]=4 238 B14R2.67 CCCCC1=CC2=CC=CC=C2C1 5541AC [0,0,0,1,0,1|2,0,0]=4 239 B14R2.517 NCCC1C(=O)NC2=C1C=CC=C2 4309AE [0,0,0,1,0,1|2,0,0]=4 240 B14R2.517 NCCC1C(=O)NC2=C1C=CC=C2 9074AB [0,0,0,1,0,1|2,0,0]=4 241 B14R2.517 O=C1NC2=CC=CC=C2N1CCCl 7420AB [0,0,0,1,0,1|2,0,0]=4 242 B14R2.21 NC1=CC=CC(C2OCCCO2)=C1 5421AD [0,1,0,1,0,0|0,0,2]=4 243 B14R2.21 N[C@@H]1CCO[C@@H](C2=CC=CC=C2)C1 5226AC [0,1,0,1,0,0|1,0,1]=4 244 B14R2.260 CC1N=C(C2=CC=CC=C2)OC1=O 2770AL [0,1,0,1,0,0|1,0,1]=4 245 B14R2.794 O=C(OC1CNC1)C2=CC=NC=C2 1678AD [0,1,0,1,0,0|1,0,0]=3 246 B14R2.794 O=C(OC1CNC1)C2=CN=CC=C2 1946AD [0,1,0,1,0,0|1,0,0]=3 247 B14R2.1019 CCC1=NC(=O)C2=C(C=CC=C2)N1 W5342 [0,1,0,1,0,0|1,0,1]=4 248 B14R2.1019 CCC1=NC2=C(C=CC=C2)C(=O)O1 7944AJ [0,1,0,1,0,0|0,0,1]=3 249 B14R2.68 NC1CC=C(C2=CC=CC=C2)CC1 V6313 [0,1,0,1,0,0|2,0,0]=4 250 B14R2.8719 NC1=CC2=C(C=C1)C(=O)CCCC2 4213AB [0,1,0,1,0,0|1,0,0]=3 251 B14R2.8719 O=C1CCCCC2=CC(Br)=CC=C12 8652AA [0,1,0,1,0,0|1,0,0]=3 252 B14R2.8719 O=C1CCCOC2=CC(Br)=CC=C12 X5130 [0,1,0,1,0,0|2,0,0]=4 253 B14R2.10606 O=C(C1=CC=C(Cl)C=C1)C2CCC2 9620AE [0,1,0,1,0,0|1,0,0]=3 254 B14R2.685 NC1=CC=CC2=C1CCCCC2=O 3729AC [0,1,0,1,0,0|1,0,0]=3 255 B14R2.5637 NC1=CC=C2OCCNC(=O)C2=C1 3645AJ [0,1,0,1,0,0|2,0,0]=4 256 B14R2.9036 O=C(NC1CC1)C2=NC=CC(Cl)=C2 Z7238 [0,1,0,1,0,0|2,0,0]=4 257 B14R2.114 O=C(C1=CC=CC=C1)C2CCNC2 2435AB [0,1,0,1,0,0|1,0,0]=3 258 B14R2.510 CCCN1NC(=O)C2=CC=CN=C21 0421AA [0,1,0,1,0,0|2,0,0]=4 259 B14R2.5540 CC1(C2=CC=CC=C2)CNCCO1 1855AA [0,1,0,1,0,0|1,0,1]=4 260 B14R2.422 NC1CN(C(=O)C2=CC=CC=C2)C1 2074AF [0,1,0,1,0,0|1,0,0]=3 261 B14R2.4633 NC1=CC=CC=C1C(=O)NC2CC2 V5037 [0,1,0,1,0,0|1,0,0]=3 262 B14R2.4633 O=C(NC1CC1)C2=CC=CN=C2Cl 8531AD [0,1,0,1,0,0|2,0,0]=4 263 B14R2.21545 CC1=CC=CC=C1C(=O)C2CCC2 2572AF [0,1,0,1,0,0|1,0,0]=3 264 B10R1.11 CCCC(=O)C1=CC=CO1 Z5524 [1,0,0,0,1,0|1,0,0]=3 265 B10R1.11 CCCC(=O)N1C=CN=C1 5658AB [1,0,0,0,1,0|2,0,0]=4 266 B10R1.11 CCOC(=O)C1=CNC=C1 Z4680 [1,0,0,0,1,0|1,0,0]=3 267 B10R1.11 CCOC(=O)C1=CON=C1 V2359 [1,0,0,0,1,0|2,0,0]=4 268 B14R1.156 O=C(NCCI)OCC1=CC=CC=C1 0550AC [0,0,0,0,0,2|2,0,0]=4