0 B10R1.15 C=C(CBr)C1=CC=CC=C1 Z4610 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.15 COC(=O)C1=CN=NN=C1 7497AA [0,0,0,0,0,0|3,0,0]=3 2 B10R1.15 C[C@@H](NO)C1=CC=CC=C1 1195AL [0,0,0,0,0,0|3,0,1]=4 3 B10R1.15 N#C[C@@H](O)C1=CC=CC=C1 2803AB [0,0,0,0,0,0|2,0,2]=4 4 B10R1.15 NCC(=O)C1=CC=NC=C1 1463AJ [0,0,0,0,0,0|3,0,0]=3 5 B10R1.15 NCC(=O)C1=NC=CC=C1 1454AJ [0,0,0,0,0,0|3,0,0]=3 6 B10R1.15 NCC(=O)C1=NC=CC=C1 1462AJ [0,0,0,0,0,0|3,0,0]=3 7 B10R1.15 NCC(O)C1=CC=CC=C1 3929AE [0,0,0,0,0,0|2,0,2]=4 8 B10R1.15 NC[C@@H](F)C1=CC=CC=C1 0407AQ [0,0,0,0,0,0|3,0,1]=4 9 B10R1.15 NNC(=O)C1=CN=CN=C1 5591AB [0,0,0,0,0,0|4,0,0]=4 10 B10R1.15 O=C(CBr)C1=CC=NC=N1 1587AJ [0,0,0,0,0,0|4,0,0]=4 11 B10R1.15 O=C(CBr)C1=CC=NC=N1 1588AJ [0,0,0,0,0,0|4,0,0]=4 12 B10R1.15 O=C(CBr)C1=CN=CN=C1 8569AB [0,0,0,0,0,0|4,0,0]=4 13 B10R1.15 O=C(CBr)C1=CN=CN=C1 8570AB [0,0,0,0,0,0|4,0,0]=4 14 B10R1.15 O=C(CBr)C1=NC=CN=C1 5221AA [0,0,0,0,0,0|4,0,0]=4 15 B10R1.15 O=CC(Br)C1=CC=CC=C1 8662AA [0,0,0,0,0,0|3,0,1]=4 16 B10R1.15 O\N=C(/Cl)C1=NC=CC=C1 0781AC [0,0,0,0,0,0|4,0,0]=4 17 B9R1.6 C=C(F)C1=CC=CC=C1 1021AL [1,0,0,0,0,0|1,0,1]=3 18 B9R1.6 CC(=N)C1=CC=CN=C1 Y6078 [1,0,0,0,0,0|2,0,0]=3 19 B9R1.6 CC(Cl)C1=NC=CC=C1 Z2355 [1,0,0,0,0,0|2,0,1]=4 20 B9R1.6 CC(O)C1=CC=NC=C1 W4712 [1,0,0,0,0,0|1,0,2]=4 21 B9R1.6 O=C(O)C1=NC=CN=N1 9945AB [1,0,0,0,0,0|3,0,0]=4 22 B9R1.8 C#C[I+]C1=CC=CC=C1 7930AL [1,0,0,0,0,0|2,0,1]=4 23 B9R1.8 CNCC1=CN=CC=C1 7435AH [1,0,0,0,0,0|2,0,1]=4 24 B9R1.8 ClC#CC1=CC=CC=C1 0032AQ [1,0,0,0,0,0|2,0,1]=4 25 B9R1.8 Cl[Mg]CC1=CC=CC=C1 8408AJ [1,0,0,0,0,0|2,0,1]=4 26 B9R1.8 IC#CC1=CC=CC=C1 0175AQ [1,0,0,0,0,0|2,0,1]=4 27 B9R1.8 O\N=C/C1=CC=CC=C1 9354AB [1,0,0,0,0,0|2,0,0]=3 28 B11R1.7 CCC(F)(F)C1=CC=CC=C1 9060AE [0,1,0,0,0,0|2,0,1]=4 29 B11R1.12 C=CC(OC)C1=CC=CC=C1 1389AB [0,1,0,0,0,0|1,0,1]=3 30 B11R1.12 CCC(CC)C1=CC=CC=C1 3981AL [0,1,0,0,0,0|2,0,1]=4 31 B11R1.12 CCP(CC)C1=CC=CC=C1 8571AJ [0,1,0,0,0,0|3,0,0]=4 32 B11R1.12 CN[C@@H](CO)C1=CC=CC=C1 3045AC [0,1,0,0,0,0|1,0,2]=4 33 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 2792AC [0,1,0,0,0,0|2,0,1]=4 34 B11R1.16 O=C(CCBr)C1=CC=CC=C1 Y1959 [0,1,0,0,0,0|1,0,0]=2 35 B11R1.16 O=C(\C=C\Cl)C1=CC=CC=C1 0138AQ [0,1,0,0,0,0|1,0,1]=3 36 B11R1.22 CC1=CC=C(\C(Cl)=N\O)C=C1 3750AL [0,1,0,0,0,0|3,0,0]=4 37 B11R1.22 CCC(=O)C1=CC=C(Cl)N=C1 9510AH [0,1,0,0,0,0|2,0,0]=3 38 B11R1.22 CCC(O)C1=CC=C(Br)C=C1 1423AL [0,1,0,0,0,0|1,0,2]=4 39 B11R1.22 NC1=CC=C(C(=O)CCl)C=C1 2322AB [0,1,0,0,0,0|2,0,0]=3 40 B11R1.22 O=C(CBr)C1=NC=C(Cl)C=C1 7216AA [0,1,0,0,0,0|3,0,0]=4 41 B11R1.23 CCC(=O)C1=CC(Cl)=NC=C1 1150AF [0,1,0,0,0,0|2,0,0]=3 42 B11R1.23 CC[C@@H](N)C1=CC=CC(Cl)=C1 X9178 [0,1,0,0,0,0|2,0,1]=4 43 B11R1.23 CNC(=O)C1=NC=CC(O)=C1 2837AJ [0,1,0,0,0,0|2,0,0]=3 44 B11R1.23 COC(=O)C1=CC(C)=NC=N1 1480AC [0,1,0,0,0,0|2,0,0]=3 45 B11R1.23 COC(=O)C1=CC(N)=NC=N1 2200AC [0,1,0,0,0,0|2,0,0]=3 46 B11R1.23 COC(=O)C1=NC(Br)=CC=N1 3571AA [0,1,0,0,0,0|2,0,0]=3 47 B11R1.23 COC(=O)C1=NC=CC(C)=N1 Z4587 [0,1,0,0,0,0|2,0,0]=3 48 B11R1.23 NNC(=O)C1=NC(N)=CC=C1 Z3024 [0,1,0,0,0,0|3,0,0]=4 49 B11R1.23 O=C(CBr)C1=CC(Cl)=NC=C1 8352AB [0,1,0,0,0,0|3,0,0]=4 50 B11R1.23 O=C(CBr)C1=NC(Br)=CC=C1 1585AJ [0,1,0,0,0,0|3,0,0]=4 51 B11R1.23 O=C(CBr)C1=NC(Br)=CC=C1 1586AJ [0,1,0,0,0,0|3,0,0]=4 52 B11R1.23 O=C(CBr)C1=NC=CC(Cl)=C1 1584AJ [0,1,0,0,0,0|3,0,0]=4 53 B11R1.23 O\N=C(/Cl)C1=CC(Cl)=CC=C1 9464AJ [0,1,0,0,0,0|3,0,0]=4 54 B11R1.23 O\N=C(/Cl)C1=CC(F)=CC=C1 9466AJ [0,1,0,0,0,0|3,0,0]=4 55 B11R1.36 CC(=O)N(Cl)C1=CC=CC=C1 8525AL [0,1,0,0,0,0|3,0,0]=4 56 B11R1.36 CC(C)C(C)C1=CC=CC=C1 3972AL [0,1,0,0,0,0|2,0,1]=4 57 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 W7886 [0,1,0,0,0,0|2,0,1]=4 58 B11R1.222 CC1=CC=CN=C1C(=O)CCl 1636AJ [0,1,0,0,0,0|3,0,0]=4 59 B11R1.222 CC[C@@H](N)C1=CC=CC=C1Cl 3808AA [0,1,0,0,0,0|2,0,1]=4 60 B11R1.222 CNC(=O)C1=CC=CC=C1S 0033AP [0,1,0,0,0,0|1,0,0]=2 61 B11R1.222 COC(=O)C1=CN=CC=C1C 6297AA [0,1,0,0,0,0|1,0,0]=2 62 B11R1.222 NC1=CC=CC=C1C(=O)CCl 3303AL [0,1,0,0,0,0|2,0,0]=3 63 B11R1.222 NCC(=O)C1=CC=CC=C1F L160 [0,1,0,0,0,0|2,0,0]=3 64 B11R1.222 O=C(CBr)C1=NC=CC=C1O 2998AA [0,1,0,0,0,0|3,0,0]=4 65 B11R1.222 O=C(CO)C1=C(Cl)C=CC=C1 4897AJ [0,1,0,0,0,0|2,0,0]=3 66 B11R1.222 O=C(NO)C1=CC=NC=C1O 2371AF [0,1,0,0,0,0|3,0,0]=4 67 B11R1.222 O\N=C(/Cl)C1=C(F)C=CC=C1 9413AJ [0,1,0,0,0,0|3,0,0]=4 68 B11R2.1 ClC1CCC2=C1C=CC=C2 X6210 [0,0,0,1,0,0|2,0,1]=4 69 B11R2.1 NC1=C2C=CC=CC2=NO1 0380AB [0,0,0,1,0,0|2,0,0]=3 70 B11R2.1 O=C1CCC2=C1C=NC=C2 3226AJ [0,0,0,1,0,0|2,0,0]=3 71 B11R2.1 O=C1CCC2=CN=CC=C12 6876AA [0,0,0,1,0,0|2,0,0]=3 72 B11R2.1 O=C1N=NC2=CC=CC=C12 8326AB [0,0,0,1,0,0|2,0,0]=3 73 B11R2.1 O=C1NNC2=C1C=NC=C2 3671AB [0,0,0,1,0,0|3,0,0]=4 74 B11R2.1 O=C1NNC2=CC=CN=C12 7206AB [0,0,0,1,0,0|3,0,0]=4 75 B11R2.1 O=C1OCC2=C1C=CN=C2 6459AB [0,0,0,1,0,0|1,0,0]=2 76 B11R2.1 OC1OCC2=C1C=CC=C2 8920AB [0,0,0,1,0,0|0,0,2]=3 77 B9R1.11 O=C(CCl)C1=CC=CS1 9376AD [0,0,0,0,1,0|3,0,0]=4 78 B11R1.40 COC(=O)CC1=CC=CN=C1 7040AJ [0,0,0,0,0,1|1,0,0]=2 79 B11R1.40 COC(=O)CC1=CC=CN=N1 Y1677 [0,0,0,0,0,1|2,0,0]=3 80 B11R1.40 COC(=O)CC1=NC=NC=C1 Y1676 [0,0,0,0,0,1|2,0,0]=3 81 B11R1.40 O=C(CF)CC1=CC=CC=C1 7647AA [0,0,0,0,0,1|2,0,0]=3 82 B11R1.40 O=C(CO)CC1=CC=CC=C1 6761AB [0,0,0,0,0,1|2,0,0]=3 83 B8R1.2 O=CC1=CC=NC=N1 W4791 [2,0,0,0,0,0|2,0,0]=4 84 B8R1.2 OCC1=CC=NC=C1 D932 [2,0,0,0,0,0|1,0,1]=4 85 B8R1.2 OCC1=NC=CC=C1 D931 [2,0,0,0,0,0|1,0,1]=4 86 B10R1.13 CC1=CC=C(S(=O)[O-])C=C1 7866AF [1,1,0,0,0,0|1,0,1]=4 87 B10R1.13 CC1=CC=C([S@](C)=O)C=C1 O022 [1,1,0,0,0,0|1,0,0]=3 88 B10R1.13 C[C@@H](N)C1=CC=C(I)C=C1 W7028 [1,1,0,0,0,0|1,0,1]=4 89 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 W7688 [1,1,0,0,0,0|1,0,1]=4 90 B10R1.13 NC1=CN=C(C(=O)O)C=N1 Y3266 [1,1,0,0,0,0|2,0,0]=4 91 B10R1.13 N[N+]1=CC=C(C(=O)[O-])C=C1 9677AH [1,1,0,0,0,0|1,0,1]=4 92 B10R1.13 O=C(O)C1=NC=C(F)C=N1 3368AA [1,1,0,0,0,0|2,0,0]=4 93 B10R1.28 CS(=N)(=O)C1=NC=CC=C1 9062AJ [1,1,0,0,0,0|2,0,0]=4 94 B10R1.61 CC(=O)C1=C(C)C=CN=C1 1844AB [1,1,0,0,0,0|1,0,0]=3 95 B10R1.61 CC(=O)C1=C(C)C=NC=N1 5784AC [1,1,0,0,0,0|2,0,0]=4 96 B10R1.61 CC(=O)C1=C(F)C=CN=C1 4483AC [1,1,0,0,0,0|1,0,0]=3 97 B10R1.61 CC1=CC=CC=C1[C@@H](C)N X8767 [1,1,0,0,0,0|1,0,1]=4 98 B10R1.61 CC1=CCC=CC1C(=O)O 0416AQ [1,1,0,0,0,0|0,0,2]=4 99 B10R1.61 N=C(N)C1=CC=CC=C1O Y9154 [1,1,0,0,0,0|2,0,0]=4 100 B10R1.61 NC(=O)C1=C(Br)N=CC=C1 W9002 [1,1,0,0,0,0|2,0,0]=4 101 B10R1.61 NC1=C(C(=O)O)N=NC=C1 0672AB [1,1,0,0,0,0|2,0,0]=4 102 B10R1.61 NC1=CC=NN=C1C(=O)O 2653AJ [1,1,0,0,0,0|2,0,0]=4 103 B10R1.61 NC1=CN=NC=C1C(=O)O 5790AH [1,1,0,0,0,0|2,0,0]=4 104 B10R1.61 O=C(O)C1=C(Cl)N=CN=C1 Y4739 [1,1,0,0,0,0|2,0,0]=4 105 B10R1.61 O=C(O)C1=CC=COC1=O 9602AD [1,1,0,0,0,0|1,0,0]=3 106 B10R1.61 O=C(O)C1=CC=NN=C1Cl X8609 [1,1,0,0,0,0|2,0,0]=4 107 B10R1.61 O=C(O)C1=NC=CC=C1F 5886AJ [1,1,0,0,0,0|1,0,0]=3 108 B10R1.113 CC(=O)C1=CN=CC(Cl)=N1 3407AA [1,1,0,0,0,0|2,0,0]=4 109 B10R1.113 CC(N)C1=CC(O)=CC=C1 Y9690 [1,1,0,0,0,0|1,0,1]=4 110 B10R1.113 CC(N)C1=CC=CC(N)=C1 2191AL [1,1,0,0,0,0|1,0,1]=4 111 B10R1.113 CC1=NC(C(=O)O)=NC=C1 Z5358 [1,1,0,0,0,0|2,0,0]=4 112 B10R1.113 C[C@@H](N)C1=CC=CC(Cl)=C1 W3721 [1,1,0,0,0,0|1,0,1]=4 113 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 2975AH [1,1,0,0,0,0|1,0,1]=4 114 B10R1.113 N=C(N)C1=CC(O)=CC=C1 7158AE [1,1,0,0,0,0|2,0,0]=4 115 B10R1.113 N=C(N)C1=CC=CC(Cl)=C1 2246AJ [1,1,0,0,0,0|2,0,0]=4 116 B10R1.113 NC(=O)C1=CC(Cl)=CN=C1 Y8555 [1,1,0,0,0,0|2,0,0]=4 117 B10R1.113 O=C(O)C1=CC=CC(Cl)=C1 8289AJ [1,1,0,0,0,0|0,0,0]=2 118 B10R1.113 O=C(O)C1=NC(F)=CN=C1 0752AD [1,1,0,0,0,0|2,0,0]=4 119 B10R1.113 O=C(O)C1=NC=CC(Cl)=N1 6183AC [1,1,0,0,0,0|2,0,0]=4 120 B10R1.113 O=C(O)C1=NC=CC(O)=C1 6183AJ [1,1,0,0,0,0|1,0,0]=3 121 B10R1.113 O=C([O-])C1=CC(Cl)=CC=C1 3821AL [1,1,0,0,0,0|0,0,1]=3 122 B10R1.4 NOCC1=CC=CC=C1Br 7199AB [1,1,0,0,0,0|1,0,1]=4 123 B10R1.10 CCCC1=CC(F)=CC=C1 2809AB [1,1,0,0,0,0|1,0,1]=4 124 B10R1.10 NOCC1=CC(Br)=CC=C1 7993AA [1,1,0,0,0,0|1,0,1]=4 125 B10R1.17 COCOC1=CC=CC=C1 0189AF [1,1,0,0,0,0|0,0,1]=3 126 B10R1.17 NC\C=C\C1=CC=CC=C1 5624AE [1,1,0,0,0,0|1,0,0]=3 127 B10R1.17 OC\C=C/C1=CC=NC=C1 5667AJ [1,1,0,0,0,0|2,0,0]=4 128 B10R1.11 CCOC(=O)C1=CSC=N1 0643AC [0,1,0,0,1,0|2,0,0]=4 129 B10R1.11 O=C(CCCl)C1=CC=CS1 Y1223 [0,1,0,0,1,0|2,0,0]=4 130 B10R1.14 COC(=O)C1=CC(=O)CC1 X3410 [0,1,0,0,1,0|0,0,2]=4 131 B10R1.14 COC(=O)C1=CC(F)=CN1 6491AB [0,1,0,0,1,0|1,0,0]=3 132 B10R1.14 COC(=O)C1=CC=C(Cl)O1 7113AJ [0,1,0,0,1,0|1,0,0]=3 133 B10R1.14 COC(=O)C1=CSC(Cl)=C1 0109AP [0,1,0,0,1,0|1,0,0]=3 134 B10R1.14 COC(=O)C1=NC=C(Cl)S1 X0356 [0,1,0,0,1,0|2,0,0]=4 135 B10R1.14 COC(=O)C1C=CC(=O)C1 8926AB [0,1,0,0,1,0|0,0,2]=4 136 B10R1.149 COC(=O)C1=C(C)NC=N1 9776AE [0,1,0,0,1,0|2,0,0]=4 137 B10R1.149 COC(=O)C1=C(N)SC=N1 4300AJ [0,1,0,0,1,0|2,0,0]=4 138 B12R1.32 CCOC(=O)CC1=CN=CN=C1 9335AB [0,1,0,0,0,1|2,0,0]=4 139 B12R1.32 N#CCC(=O)CC1=CC=CC=C1 2472AL [0,1,0,0,0,1|1,0,1]=4 140 B12R1.32 NCCC(=O)NC1=CC=CC=C1 2153AJ [0,1,0,0,0,1|1,0,0]=3 141 B12R1.34 NC(C(=O)NO)C1=CC=CC=C1 8279AC [0,1,0,0,0,1|2,0,0]=4 142 B12R1.43 CN(C)C(=O)NC1=CC=CC=C1 0384AA [0,1,0,0,0,1|1,0,0]=3 143 B12R1.49 C=CC(=O)CC1=CC=C(F)C=C1 3435AC [0,1,0,0,0,1|1,0,1]=4 144 B12R1.49 CC1=CC=C(NC(=O)CCl)C=C1 5335AD [0,1,0,0,0,1|2,0,0]=4 145 B12R1.49 CNC(=O)NC1=CC=C(O)C=C1 5000AB [0,1,0,0,0,1|1,0,0]=3 146 B12R1.49 O=C(CCl)NC1=CC=C(Cl)C=C1 3730AB [0,1,0,0,0,1|2,0,0]=4 147 B12R1.50 CC1=CC(NC(=O)CBr)=CC=C1 5317AE [0,1,0,0,0,1|2,0,0]=4 148 B12R1.50 CCC(=O)NC1=CC(Br)=CN=C1 2804AA [0,1,0,0,0,1|2,0,0]=4 149 B12R1.50 COC(=O)CC1=CC(Br)=CN=C1 3071AA [0,1,0,0,0,1|1,0,0]=3 150 B12R1.50 COC(=O)CC1=CC=CC(C)=N1 8677AB [0,1,0,0,0,1|1,0,0]=3 151 B12R1.50 COC(=O)CC1=NC=CC(Cl)=C1 4198AJ [0,1,0,0,0,1|1,0,0]=3 152 B12R1.50 COC(=O)CC1=NC=CC(Cl)=C1 8768AH [0,1,0,0,0,1|1,0,0]=3 153 B12R1.50 O=C(CBr)CC1=CC=CC(Br)=C1 0631AB [0,1,0,0,0,1|2,0,0]=4 154 B12R1.371 COC(=O)NC1=C(C)C=CN=C1 8264AE [0,1,0,0,0,1|1,0,0]=3 155 B12R1.371 O=C(CS)NC1=CC=CC=C1Cl 5539AD [0,1,0,0,0,1|2,0,0]=4 156 B12R1.9 CCS(=O)(=O)C1=CC=C(Cl)C=C1 1182AC [0,2,0,0,0,0|2,0,0]=4 157 B12R1.9 CSS(=O)(=O)C1=CC=C(C)C=C1 4287AE [0,2,0,0,0,0|1,1,0]=4 158 B12R1.39 COCS(=O)(=O)C1=CC=CC=C1 8209AL [0,2,0,0,0,0|1,0,0]=3 159 B12R1.13 COC(OC)C1=CC(N)=CC=C1 X3982 [0,2,0,0,0,0|0,0,2]=4 160 B12R1.16 CCOC(=O)C1=NC=C(Cl)C=N1 6793AJ [0,2,0,0,0,0|2,0,0]=4 161 B12R1.16 N#CCC(=O)C1=CC=C(I)C=C1 0579AB [0,2,0,0,0,0|1,0,1]=4 162 B12R1.17 CCOC(=O)C1=CC=NC(C)=N1 1859AC [0,2,0,0,0,0|2,0,0]=4 163 B12R1.17 CCOC(=O)C1=NC=CC(C)=N1 3390AA [0,2,0,0,0,0|2,0,0]=4 164 B12R1.17 CCOC(=O)C1=NC=NC(C)=C1 7376AA [0,2,0,0,0,0|2,0,0]=4 165 B12R1.17 O=C(CCCl)C1=CC(F)=CC=C1 0293AF [0,2,0,0,0,0|1,0,0]=3 166 B12R1.308 CC1=CC=CC=C1C(=O)CCCl 2529AF [0,2,0,0,0,0|1,0,0]=3 167 B12R1.308 CCOC(=O)C1=C(Cl)N=NC=C1 7125AA [0,2,0,0,0,0|2,0,0]=4 168 B12R1.308 CCOC(=O)C1=CC=CC=[N+]1[O-] 9464AD [0,2,0,0,0,0|1,0,0]=3 169 B12R1.308 CCOC(=O)C1=CC=NN=C1C 6927AC [0,2,0,0,0,0|2,0,0]=4 170 B12R1.308 CCOC(=O)C1=NC=CC=C1Cl 3470AD [0,2,0,0,0,0|1,0,0]=3 171 B12R1.5 COC(=O)C1=CC=C(CN)N=C1 1521AA [0,2,0,0,0,0|1,0,0]=3 172 B12R1.5 COC(=O)C1=NC=C(CN)C=C1 4289AJ [0,2,0,0,0,0|1,0,0]=3 173 B12R1.5 COC1=CC=C(C(=O)CN)C=C1 L175 [0,2,0,0,0,0|2,0,0]=4 174 B12R1.20 NC(=O)C(=O)C1=CC=C(Br)C=C1 0707AC [0,2,0,0,0,0|2,0,0]=4 175 B12R1.20 O=C([O-])C(=O)C1=CC=C(O)C=C1 7895AB [0,2,0,0,0,0|2,0,0]=4 176 B12R1.367 CC1=C(Br)C=CC(C(=O)NN)=C1 7406AA [0,2,0,0,0,0|2,0,0]=4 177 B12R1.367 COC(=O)C1=CC(Br)=C(C)N=C1 4303AJ [0,2,0,0,0,0|1,0,0]=3 178 B12R1.367 COC(=O)C1=CC(S)=C(N)C=C1 0882AC [0,2,0,0,0,0|0,0,0]=2 179 B12R1.367 COC(=O)C1=CC=C(Br)C(Br)=N1 3877AA [0,2,0,0,0,0|1,0,0]=3 180 B12R1.367 COC(=O)C1=CNC(=O)C(C)=C1 7803AE [0,2,0,0,0,0|1,0,0]=3 181 B12R1.367 COC(=O)C1=NC=C(N)C(N)=C1 3139AC [0,2,0,0,0,0|1,0,0]=3 182 B12R1.367 COC(=O)C1=NC=C(N)C(N)=C1 Z5185 [0,2,0,0,0,0|1,0,0]=3 183 B12R1.367 O=C(CCl)C1=CC=C(Br)C(F)=C1 5006AA [0,2,0,0,0,0|2,0,0]=4 184 B12R1.1703 CC1=CC(Br)=C(C(=O)NN)C=C1 0584AA [0,2,0,0,0,0|2,0,0]=4 185 B12R1.1703 COC(=O)C1=C(C)C=C(C)N=C1 X5571 [0,2,0,0,0,0|1,0,0]=3 186 B12R1.1703 COC(=O)C1=C(N)C=C(N)N=C1 6629AA [0,2,0,0,0,0|1,0,0]=3 187 B12R1.1703 COC(=O)C1=CC=C(Cl)N=C1N 0625AF [0,2,0,0,0,0|1,0,0]=3 188 B12R1.1703 COC(=O)C1=CC=C(N)N=C1C Y4417 [0,2,0,0,0,0|1,0,0]=3 189 B12R1.1703 COC(=O)C1=NC=C(C)N=C1N 2220AA [0,2,0,0,0,0|2,0,0]=4 190 B12R1.1703 COC(=O)C1=NC=C(Cl)C=C1N 3614AC [0,2,0,0,0,0|1,0,0]=3 191 B12R1.1703 O=C(NO)C1=C(O)C=C(F)C=C1 8352AA [0,2,0,0,0,0|2,0,0]=4 192 B12R1.24 COC(=O)C1=C(C)C(C)=NC=C1 4211AJ [0,2,0,0,0,0|1,0,0]=3 193 B12R1.24 COC(=O)C1=C(Cl)C(O)=CN=C1 6555AC [0,2,0,0,0,0|1,0,0]=3 194 B12R1.24 COC(=O)C1=CC=CC(N)=C1Br Y5062 [0,2,0,0,0,0|0,0,0]=2 195 B12R1.24 COC(=O)C1=CC=CN(C)C1=O 3502AL [0,2,0,0,0,0|1,0,0]=3 196 B12R1.24 COC(=O)C1=NC=C[N+]([O-])=C1N 8818AA [0,2,0,0,0,0|2,0,0]=4 197 B12R1.24 COC(=O)C1=NC=NC(O)=C1O 3049AJ [0,2,0,0,0,0|2,0,0]=4 198 B12R1.24 NNC(=O)C1=C(F)C(F)=CC=C1 2267AE [0,2,0,0,0,0|2,0,0]=4 199 B12R1.225 CC(Cl)C(=O)C1=CC=CC(Cl)=C1 5013AH [0,2,0,0,0,0|1,0,0]=3 200 B12R1.225 CN(C)C(=O)C1=CC=NC(Br)=C1 0703AB [0,2,0,0,0,0|2,0,0]=4 201 B12R1.354 CC1=CC(C(=O)NN)=C(N)C=C1 9131AD [0,2,0,0,0,0|2,0,0]=4 202 B12R1.354 CNC(=O)C1=CC(Br)=CN=C1Cl Y3778 [0,2,0,0,0,0|2,0,0]=4 203 B12R1.354 COC(=O)C1=C(C)N=CC(N)=C1 5898AC [0,2,0,0,0,0|1,0,0]=3 204 B12R1.354 COC(=O)C1=C(N)N=CC(F)=C1 3714AA [0,2,0,0,0,0|1,0,0]=3 205 B12R1.354 COC(=O)C1=C(O)N=CC(C)=C1 0273AC [0,2,0,0,0,0|1,0,0]=3 206 B12R1.354 COC(=O)C1=CC(C)=CN=C1F Y3895 [0,2,0,0,0,0|1,0,0]=3 207 B12R1.354 COC(=O)C1=CC(Cl)=NC=C1F 3937AC [0,2,0,0,0,0|1,0,0]=3 208 B12R1.354 COC(=O)C1=CC(I)=NC=C1N 2990AD [0,2,0,0,0,0|1,0,0]=3 209 B12R1.354 COC(=O)C1=NC(C)=CN=C1N 6657AB [0,2,0,0,0,0|2,0,0]=4 210 B12R1.354 N#CC(=O)C1=CC(Cl)=CC=C1Cl K054 [0,2,0,0,0,0|2,0,0]=4 211 B12R1.354 O=C(NO)C1=CC(Cl)=CC=C1O 4807AB [0,2,0,0,0,0|2,0,0]=4 212 B12R1.358 COC(=O)C1=CC(Br)=CC(N)=N1 4278AC [0,2,0,0,0,0|1,0,0]=3 213 B12R1.358 COC(=O)C1=CC(Cl)=NC(N)=N1 9551AB [0,2,0,0,0,0|2,0,0]=4 214 B12R1.358 COC(=O)C1=CC(I)=CC(O)=C1 X6782 [0,2,0,0,0,0|0,0,0]=2 215 B12R1.435 COC(=O)C1=CC(CCl)=CN=C1 8219AB [0,2,0,0,0,0|1,0,0]=3 216 B12R1.435 COC(=O)C1=CC(CN)=NC=C1 Y5672 [0,2,0,0,0,0|1,0,0]=3 217 B12R1.124 CC(=O)C(=O)C1=C(Cl)C=CC=C1 9878AB [0,2,0,0,0,0|1,0,0]=3 218 B12R1.124 O=C(O)C(=O)C1=CC=CC=C1Br Z4523 [0,2,0,0,0,0|2,0,0]=4 219 B12R1.564 CC(C)(C)C(=O)C1=CC=CC=N1 0016AE [0,2,0,0,0,0|2,0,0]=4 220 B12R1.77 COC(=O)C1=CC=CN=C1C=O 8421AD [0,2,0,0,0,0|1,0,0]=3 221 B12R1.77 COC(=O)C1=CC=CN=C1CN 1413AC [0,2,0,0,0,0|1,0,0]=3 222 B12R1.3441 COC(=O)C1=C(Br)C=CN=C1Cl 0183AP [0,2,0,0,0,0|1,0,0]=3 223 B12R1.3441 COC(=O)C1=C(C)N=CC=C1C 4412AC [0,2,0,0,0,0|1,0,0]=3 224 B12R1.3441 COC(=O)C1=C(F)C=CC=C1N 2774AA [0,2,0,0,0,0|0,0,0]=2 225 B10R1.172 C=CC1=NC=CC(OC)=C1 3214AB [0,0,1,1,0,0|2,0,0]=4 226 B10R2.32 O=C1CCC2=CNC=C12 3028AJ [0,0,0,1,1,0|2,0,0]=4 227 B12R2.18 CN1C(=S)NC2=CC=CC=C21 0345AQ [0,0,0,1,0,1|1,1,0]=4 228 B12R2.18 CN1C(N)=CC2=C1C=CC=C2 9912AH [0,0,0,1,0,1|2,0,0]=4 229 B12R2.18 O=C1OC2=CC=CC=C2C1Br 0372AQ [0,0,0,1,0,1|2,0,0]=4 230 B12R2.32 COC1=NC2=CC=CN=C2S1 0331AC [0,0,0,1,0,1|1,1,0]=4 231 B12R2.116 NC1(C2=CC=CC=C2)COC1 X3454 [0,1,0,1,0,0|1,0,1]=4 232 B12R2.2403 C[Si]1(C)OCC2=CC=CC=C21 AMTSi121 [0,1,0,1,0,0|1,1,0]=4 233 B12R2.1 COC1=NNC2=CC=CC=C21 9664AA [0,1,0,1,0,0|1,0,0]=3 234 B12R2.1 O\N=C1/CCC2=C1C=CC=C2 1637AL [0,1,0,1,0,0|1,0,1]=4 235 B12R2.2 C1=CC=C(C2CCCO2)C=C1 Y7711 [0,1,0,1,0,0|1,0,1]=4 236 B12R2.2 C1=CC=C(C2CCOC2)C=C1 Y7773 [0,1,0,1,0,0|1,0,1]=4 237 B12R2.1081 O=C1CCCC2=C1C=CN=C2 0827AA [0,1,0,1,0,0|2,0,0]=4 238 B12R2.1081 O=C1CCOC2=C1C=CC=N2 1370AJ [0,1,0,1,0,0|2,0,0]=4 239 B12R2.1081 O=C1CCOC2=CC=NC=C12 1127AC [0,1,0,1,0,0|2,0,0]=4 240 B12R2.1081 O=C1CNCC2=C1C=CC=C2 1369AJ [0,1,0,1,0,0|1,0,0]=3 241 B12R2.2028 CN1N=C(Br)C2=CC=CC=C21 V2198 [0,1,0,1,0,0|2,0,0]=4 242 B12R2.2028 NC1CC(=O)C2=CC=CC=C21 4741AD [0,1,0,1,0,0|1,0,0]=3 243 B12R2.612 CC1=CC2=C(C=N1)C(=O)CC2 2348AJ [0,1,0,1,0,0|2,0,0]=4 244 B12R2.612 CC1=CC=C2C(=O)NCC2=C1 3267AJ [0,1,0,1,0,0|1,0,0]=3 245 B12R2.612 NC1=CC2=C(C=C1)C(=O)NN2 1199AB [0,1,0,1,0,0|2,0,0]=4 246 B12R2.612 O=C1NCC2=C1C=CC(I)=C2 4891AC [0,1,0,1,0,0|1,0,0]=3 247 B12R2.612 O=C1NSC2=C1C=CC(Cl)=C2 0858AC [0,1,0,1,0,0|2,0,0]=4 248 B12R2.132 NC1=CC2=C(C=C1)ONC2=O 1421AC [0,1,0,1,0,0|2,0,0]=4 249 B12R2.132 O=C1CCC2=NC=C(Br)C=C12 2199AJ [0,1,0,1,0,0|2,0,0]=4 250 B12R2.132 O=C1COC2=C1C=C(I)C=C2 9090AB [0,1,0,1,0,0|2,0,0]=4 251 B12R2.132 O=C1NCC2=C1C=C(O)C=C2 0124AC [0,1,0,1,0,0|1,0,0]=3 252 B12R2.132 O=C1OCC2=C1C=C(Cl)C=C2 0125AB [0,1,0,1,0,0|0,0,0]=2 253 B12R2.132 O=C1OCC2=NC=C(Cl)C=C12 2247AJ [0,1,0,1,0,0|1,0,0]=3 254 B12R2.196 CC1=C2COC(=O)C2=CC=C1 7571AD [0,1,0,1,0,0|0,0,0]=2 255 B12R2.196 O=C1CCC2=C1C=CC=C2I W7326 [0,1,0,1,0,0|1,0,0]=3 256 B12R2.196 O=C1COC2=C1C=CC=C2I 0334AB [0,1,0,1,0,0|2,0,0]=4 257 B12R2.196 O=C1NOC2=C1C=CC=C2F 3297AC [0,1,0,1,0,0|2,0,0]=4 258 B12R2.203 CC1=C2C(=O)OCC2=CC=C1 7572AD [0,1,0,1,0,0|0,0,0]=2 259 B12R2.203 O=C1COC2=CC=CC(Br)=C12 0563AA [0,1,0,1,0,0|2,0,0]=4 260 B12R2.203 O=C1NCC2=C1C(I)=CC=C2 3612AC [0,1,0,1,0,0|1,0,0]=3 261 B12R2.203 O=C1NCC2=CC=CC(Cl)=C12 0108AC [0,1,0,1,0,0|1,0,0]=3 262 B12R2.203 O=C1NOC2=C1C(Cl)=CC=C2 9372AA [0,1,0,1,0,0|2,0,0]=4 263 B8R1.7 CC(=O)C1=COC=N1 9362AH [1,0,0,0,1,0|2,0,0]=4 264 B8R1.7 CC(=O)C1=CON=C1 2844AC [1,0,0,0,1,0|2,0,0]=4 265 B8R1.7 CC(=O)C1=CSN=C1 9903AH [1,0,0,0,1,0|2,0,0]=4 266 B8R1.7 CC(=O)C1=NC=CO1 W8389 [1,0,0,0,1,0|2,0,0]=4 267 B8R1.7 CC(=O)C1=NOC=C1 4155AC [1,0,0,0,1,0|2,0,0]=4 268 B8R1.7 O=C(O)C1=CSC=N1 2475AE [1,0,0,0,1,0|2,0,0]=4 269 B8R1.7 O=C(O)N1C=CC=C1 Z3516 [1,0,0,0,1,0|1,0,0]=3 270 B8R1.7 O=C([O-])C1=CC=CO1 7350AF [1,0,0,0,1,0|1,0,1]=4 271 B8R1.7 O=C([O-])C1=CC=CO1 7351AF [1,0,0,0,1,0|1,0,1]=4 272 B12R1.27 COC(=O)C#CC1=CC=CN=C1 6983AJ [0,0,0,0,0,2|1,0,0]=3 273 B12R1.27 COC(=O)C#CC1=CC=NC=C1 6987AJ [0,0,0,0,0,2|1,0,0]=3