0 B8R1.7 C=C(C)C1=NC=CS1 5670AL [0,0,0,0,0,0|2,1,0]=3 1 B8R1.7 CC(=O)C1=CC=NO1 4156AC [0,0,0,0,0,0|1,0,0]=1 2 B8R1.7 CC(=O)C1=CN=CS1 5381AC [0,0,0,0,0,0|1,1,0]=2 3 B8R1.7 CC(=O)C1=NC=CO1 W8389 [0,0,0,0,0,0|1,0,0]=1 4 B8R1.7 CC(=O)C1=NC=NN1 4769AD [0,0,0,0,0,0|3,0,0]=3 5 B8R1.7 CC(=O)C1=NOC=C1 4155AC [0,0,0,0,0,0|2,0,0]=2 6 B8R1.7 CC(C)C1=NC=CS1 V3543 [0,0,0,0,0,0|2,1,1]=4 7 B8R1.7 CC(N)C1=CC=CS1 9580AB [0,0,0,0,0,0|1,1,1]=3 8 B8R1.7 CC(N)C1=CSC=C1 0073AD [0,0,0,0,0,0|3,0,1]=4 9 B8R1.7 CC(N)C1=CSC=N1 4743AH [0,0,0,0,0,0|3,0,1]=4 10 B8R1.7 CC(O)C1=CC=CN1 Z2357 [0,0,0,0,0,0|1,0,2]=3 11 B8R1.7 CC(O)C1=CC=CO1 0311AQ [0,0,0,0,0,0|0,0,2]=2 12 B8R1.7 CC(O)C1=COC=C1 3660AD [0,0,0,0,0,0|2,0,2]=4 13 B8R1.7 N=C(N)C1=COC=C1 5391AE [0,0,0,0,0,0|4,0,0]=4 14 B8R1.7 NC(=O)C1=CC=CN1 V6031 [0,0,0,0,0,0|2,0,0]=2 15 B8R1.7 NC(=O)C1=CN=CO1 Y7670 [0,0,0,0,0,0|2,0,0]=2 16 B8R1.7 NC(=O)C1=CNC=C1 1113AC [0,0,0,0,0,0|3,0,0]=3 17 B8R1.7 NC(=O)C1=CNC=N1 2439AB [0,0,0,0,0,0|3,0,0]=3 18 B8R1.7 NC(=O)C1=CNN=C1 3575AE [0,0,0,0,0,0|4,0,0]=4 19 B8R1.7 NC(=O)C1=COC=N1 Z4456 [0,0,0,0,0,0|3,0,0]=3 20 B8R1.7 NC(=O)C1=CSC=N1 Y5399 [0,0,0,0,0,0|3,0,0]=3 21 B8R1.7 NC(=O)C1=NC=CS1 X5637 [0,0,0,0,0,0|2,1,0]=3 22 B8R1.7 NC(=O)[C@@H]1C=CCN1 5249AH [0,0,0,0,0,0|2,0,2]=4 23 B8R1.7 NC(=S)C1=CC=NN1 Y5736 [0,0,0,0,0,0|3,1,0]=4 24 B8R1.7 NC(=S)C1=CN=CO1 Y4507 [0,0,0,0,0,0|2,1,0]=3 25 B8R1.7 NC(=S)C1=CN=CS1 Y5427 [0,0,0,0,0,0|2,2,0]=4 26 B8R1.7 NC(=S)C1=CNC=N1 Y4857 [0,0,0,0,0,0|3,1,0]=4 27 B8R1.7 NC(=S)C1=CSC=N1 Y5562 [0,0,0,0,0,0|3,1,0]=4 28 B8R1.7 NC(=S)C1=NC=CO1 4442AJ [0,0,0,0,0,0|2,1,0]=3 29 B8R1.7 NC(=S)C1=NC=CS1 7785AH [0,0,0,0,0,0|2,2,0]=4 30 B8R1.7 O=C(O)C1=COCC1 W9830 [0,0,0,0,0,0|3,0,1]=4 31 B8R1.7 O=C(O)C1=NC=CO1 Z1844 [0,0,0,0,0,0|2,0,0]=2 32 B8R1.7 O=C(O)C1=NSC=C1 6302AB [0,0,0,0,0,0|3,0,0]=3 33 B8R1.7 O=C(O)C1C=CCO1 1916AL [0,0,0,0,0,0|1,0,2]=3 34 B8R1.7 O=C(O)N1C=CC=C1 Z3516 [0,0,0,0,0,0|3,0,0]=3 35 B8R1.7 O=C([O-])C1=NC=CS1 4281AE [0,0,0,0,0,0|2,1,0]=3 36 B7R1.1 CCC1=CC=NO1 3273AB [1,0,0,0,0,0|1,0,1]=3 37 B7R1.1 CCC1=CNC=N1 6226AL [1,0,0,0,0,0|2,0,1]=4 38 B7R1.1 CCC1=NN=CO1 5828AA [1,0,0,0,0,0|2,0,1]=4 39 B7R1.1 CCC1=NNC=C1 6654AA [1,0,0,0,0,0|2,0,1]=4 40 B7R1.1 CNC1=NC=CO1 6947AC [1,0,0,0,0,0|2,0,0]=3 41 B7R1.1 COC1=CC=CO1 2109AL [1,0,0,0,0,0|1,0,0]=2 42 B7R1.1 CSC1=CNC=N1 X6327 [1,0,0,0,0,0|3,0,0]=4 43 B7R1.1 CSC1=NC=CO1 6777AD [1,0,0,0,0,0|2,0,0]=3 44 B7R1.1 ClCC1=CN=CO1 8892AA [1,0,0,0,0,0|2,0,1]=4 45 B7R1.1 N#CC1=CN=CO1 X3473 [1,0,0,0,0,0|2,0,1]=4 46 B7R1.1 N#CC1=NC=CO1 0624AC [1,0,0,0,0,0|2,0,1]=4 47 B7R1.1 NCC1=CC=CN1 W7617 [1,0,0,0,0,0|2,0,1]=4 48 B7R1.1 NCC1=NC=CO1 0960AA [1,0,0,0,0,0|2,0,1]=4 49 B7R1.1 O=CC1=CC=C[Se]1 5634AL [1,0,0,0,0,0|0,1,0]=2 50 B7R1.1 O=CC1=CCSC1 2331AA [1,0,0,0,0,0|2,0,1]=4 51 B7R1.1 O=CC1=CNN=N1 Z5678 [1,0,0,0,0,0|3,0,0]=4 52 B7R1.1 O=CC1=NC=CO1 7478AE [1,0,0,0,0,0|1,0,0]=2 53 B7R1.1 OCC1=CC=NO1 6850AC [1,0,0,0,0,0|1,0,2]=4 54 B9R1.11 CCC(=O)C1=CC=CO1 Z5507 [0,1,0,0,0,0|0,0,0]=1 55 B9R1.11 COC(=O)C1=CNN=C1 9533AA [0,1,0,0,0,0|3,0,0]=4 56 B9R1.11 COC(=O)C1=NC=CO1 3452AB [0,1,0,0,0,0|1,0,0]=2 57 B9R1.11 CSC(=O)C1=CSC=N1 V9051 [0,1,0,0,0,0|2,0,0]=3 58 B9R1.11 C\C(=N\O)C1=CSC=N1 8047AE [0,1,0,0,0,0|2,0,1]=4 59 B9R1.11 N#CC(=O)C1=CC=CO1 9015AB [0,1,0,0,0,0|0,0,1]=2 60 B9R1.11 N#CC(=O)C1=CC=CS1 6481AE [0,1,0,0,0,0|0,1,1]=3 61 B9R1.11 NNC(=O)C1=CC=NN1 8723AD [0,1,0,0,0,0|3,0,0]=4 62 B9R1.11 NNC(=O)C1=CN=CO1 7607AH [0,1,0,0,0,0|2,0,0]=3 63 B9R1.11 NNC(=O)C1=COC=N1 Y5608 [0,1,0,0,0,0|3,0,0]=4 64 B9R1.11 NNC(=O)C1=CSC=C1 2321AE [0,1,0,0,0,0|3,0,0]=4 65 B9R1.11 NNC(=O)C1=NC=CS1 Y7769 [0,1,0,0,0,0|2,1,0]=4 66 B9R1.11 N\C(=N/O)C1=CC=CO1 2252AB [0,1,0,0,0,0|1,0,1]=3 67 B9R1.11 O=C(CBr)C1=CSC=N1 3999AJ [0,1,0,0,0,0|2,0,0]=3 68 B9R1.11 O=C(CBr)C1=NC=CS1 6733AD [0,1,0,0,0,0|1,1,0]=3 69 B9R1.11 O=C(CCl)C1=NC=CO1 1641AJ [0,1,0,0,0,0|1,0,0]=2 70 B9R1.11 O=CC(=O)C1=CC=CO1 8783AA [0,1,0,0,0,0|0,0,1]=2 71 B9R1.11 O=CC(=O)C1=CC=CS1 W3018 [0,1,0,0,0,0|0,1,1]=3 72 B9R1.19 CC(C)(C)C1=CC=CO1 0781AQ [0,1,0,0,0,0|1,0,1]=3 73 B9R1.19 CC(C)(C)C1=CC=CS1 Z5471 [0,1,0,0,0,0|1,1,1]=4 74 B9R1.19 CS(=O)(=O)C1=NC=CN1 5574AJ [0,1,0,0,0,0|3,0,0]=4 75 B9R1.19 CS(=O)(=O)N1C=CC=C1 V6357 [0,1,0,0,0,0|3,0,0]=4 76 B9R1.19 O=S(=O)(F)C1=CC=CS1 0466AQ [0,1,0,0,0,0|2,1,0]=4 77 B9R1.35 CC(=O)C1=CC(Cl)=CS1 W5634 [0,1,0,0,0,0|0,1,0]=2 78 B9R1.35 CC(=O)C1=CC=C(Br)O1 3520AB [0,1,0,0,0,0|0,0,0]=1 79 B9R1.35 CC(=O)C1=NC(C)=CN1 2011AB [0,1,0,0,0,0|2,0,0]=3 80 B9R1.35 CC(=O)C1=NC(C)=CO1 5140AC [0,1,0,0,0,0|1,0,0]=2 81 B9R1.35 CC(=O)C1=NC=C(Br)S1 2132AC [0,1,0,0,0,0|1,1,0]=3 82 B9R1.35 CC(N)C1=CC=C(Br)S1 3539AD [0,1,0,0,0,0|1,1,1]=4 83 B9R1.35 CC(N)C1=CC=C(Cl)S1 7287AD [0,1,0,0,0,0|1,1,1]=4 84 B9R1.35 CC1=CC(C(=O)O)=CN1 X8465 [0,1,0,0,0,0|3,0,0]=4 85 B9R1.35 CC1=CC(C(N)=O)=NN1 Z2991 [0,1,0,0,0,0|3,0,0]=4 86 B9R1.35 CC1=CC=C(C(=O)O)N1 4808AB [0,1,0,0,0,0|2,0,0]=3 87 B9R1.35 CC1=CN=C(C(=O)O)O1 X6429 [0,1,0,0,0,0|2,0,0]=3 88 B9R1.35 CC1=CNC(C(=O)O)=C1 V0508 [0,1,0,0,0,0|2,0,0]=3 89 B9R1.35 CC1=CNC(C(=O)O)=N1 Y9876 [0,1,0,0,0,0|3,0,0]=4 90 B9R1.35 CC1=COC(C(=O)O)=N1 X6324 [0,1,0,0,0,0|2,0,0]=3 91 B9R1.35 CC1=NC(C(N)=O)=CO1 X5248 [0,1,0,0,0,0|3,0,0]=4 92 B9R1.35 CC1=NC(C(N)=O)=CS1 Y5140 [0,1,0,0,0,0|3,0,0]=4 93 B9R1.35 CC1=NN=C(C(=O)O)O1 7252AB [0,1,0,0,0,0|3,0,0]=4 94 B9R1.35 N=C(N)C1=CC=C(Cl)S1 6827AD [0,1,0,0,0,0|2,1,0]=4 95 B9R1.35 NC(=O)C1=CC(Br)=NO1 4565AA [0,1,0,0,0,0|2,0,0]=3 96 B9R1.35 NC(=O)C1=CC=C(Br)N1 9191AA [0,1,0,0,0,0|2,0,0]=3 97 B9R1.35 NC1=CSC(C(=O)O)=C1 6089AJ [0,1,0,0,0,0|1,1,0]=3 98 B9R1.35 NC1=NC(C(=O)O)=CS1 Y7076 [0,1,0,0,0,0|3,0,0]=4 99 B9R1.35 NC1=NC=C(C(=O)O)O1 V8587 [0,1,0,0,0,0|2,0,0]=3 100 B9R1.35 O=C(O)C1=CC(Cl)=NO1 0612AB [0,1,0,0,0,0|2,0,0]=3 101 B9R1.35 O=C(O)C1=CC(F)=CS1 3617AB [0,1,0,0,0,0|1,1,0]=3 102 B9R1.35 O=C(O)C1=CC=C(I)O1 6244AD [0,1,0,0,0,0|1,0,0]=2 103 B9R1.35 O=C(O)C1=COC(Cl)=N1 Y9881 [0,1,0,0,0,0|3,0,0]=4 104 B9R1.35 O=C(O)C1=COC(I)=N1 4876AA [0,1,0,0,0,0|3,0,0]=4 105 B9R1.35 O=C(O)C1=NC(Br)=CO1 X6341 [0,1,0,0,0,0|2,0,0]=3 106 B9R1.35 O=C(O)C1=NC=C(Cl)S1 Y6782 [0,1,0,0,0,0|2,1,0]=4 107 B9R1.35 O=C1C=C(C(=O)O)CC1 Y5171 [0,1,0,0,0,0|2,0,1]=4 108 B9R1.35 O=[N+]([O-])C1=CC(Br)=CS1 3296AC [0,1,0,0,0,0|2,1,0]=4 109 B9R1.35 O=[N+]([O-])C1=CC=C(Br)O1 5524AL [0,1,0,0,0,0|2,0,0]=3 110 B9R1.35 O=[N+]([O-])C1=CC=C(O)S1 8009AB [0,1,0,0,0,0|2,1,0]=4 111 B9R1.41 CC(=O)C1=C(C)C=CS1 Z5455 [0,1,0,0,0,0|0,1,0]=2 112 B9R1.41 CC(=O)C1=C(C)NN=C1 4180AF [0,1,0,0,0,0|3,0,0]=4 113 B9R1.41 CC(=O)C1=C(N)C=CS1 3514AB [0,1,0,0,0,0|0,1,0]=2 114 B9R1.41 CC(=O)C1=NON=C1C 8383AA [0,1,0,0,0,0|3,0,0]=4 115 B9R1.41 CC(=O)N1C=CC=C1Br 5036AJ [0,1,0,0,0,0|2,0,0]=3 116 B9R1.41 CC1=C(C(=O)O)NC=C1 W9332 [0,1,0,0,0,0|2,0,0]=3 117 B9R1.41 CC1=C(C(=O)O)ON=C1 2244AB [0,1,0,0,0,0|2,0,0]=3 118 B9R1.41 CC1=C(C(N)=O)C=CS1 0775AQ [0,1,0,0,0,0|3,0,0]=4 119 B9R1.41 CC1=C([N+](=O)[O-])SC=C1 V5146 [0,1,0,0,0,0|2,1,0]=4 120 B9R1.41 CC1=CON=C1C(=O)O 0980AB [0,1,0,0,0,0|3,0,0]=4 121 B9R1.41 NC(=O)C1=C(Br)SC=C1 9864AA [0,1,0,0,0,0|3,0,0]=4 122 B9R1.41 NC(=O)C1=C(N)C=NN1 0332AC [0,1,0,0,0,0|3,0,0]=4 123 B9R1.41 NC(=O)C1=CSC=C1Br 0861AQ [0,1,0,0,0,0|3,0,0]=4 124 B9R1.41 NC1=C(C(=O)O)NC=N1 6671AB [0,1,0,0,0,0|3,0,0]=4 125 B9R1.41 O=C(O)C1=C(Br)OC=C1 Z5486 [0,1,0,0,0,0|3,0,0]=4 126 B9R1.41 O=C(O)C1=C(I)C=NN1 W7746 [0,1,0,0,0,0|3,0,0]=4 127 B7R0.4 C=CCCOC(C)=O 3121AL [0,0,1,0,0,0|2,0,1]=4 128 B7R0.4 C\C=C\C=C\C(=O)Cl Y2082 [0,0,1,0,0,0|2,0,0]=3 129 B9R2.7 O=C1CC2C=CCC12 M049 [0,0,0,1,0,0|1,0,2]=4 130 B7R1.18 CC(=O)N1C=CC1 6529AA [0,0,0,0,1,0|1,0,1]=3 131 B9R1.6 CC(=O)C1=CSCCN1 8361AA [0,0,0,0,0,1|1,0,2]=4 132 B9R1.6 CC(Cl)C1=CC=CC=C1 U237 [0,0,0,0,0,1|2,0,1]=4 133 B9R1.6 CC(Cl)C1=NC=CN=C1 Z2354 [0,0,0,0,0,1|2,0,1]=4 134 B9R1.6 CN(C)C1=CC=NC=C1 6487AL [0,0,0,0,0,1|3,0,0]=4 135 B9R1.6 CN(C)C1=NC=CC=C1 8318AB [0,0,0,0,0,1|3,0,0]=4 136 B9R1.6 CN(C)C1=NC=NC=C1 3385AB [0,0,0,0,0,1|3,0,0]=4 137 B9R1.6 CN(N)C1=CN=CC=N1 1013AJ [0,0,0,0,0,1|3,0,0]=4 138 B9R1.6 CP(C)C1=CC=CC=C1 7271AL [0,0,0,0,0,1|3,0,0]=4 139 B9R1.6 CS(=O)C1=NC=CC=C1 7769AJ [0,0,0,0,0,1|2,0,0]=3 140 B9R1.6 CS(=O)C1=NC=CC=N1 7770AJ [0,0,0,0,0,1|2,0,0]=3 141 B9R1.6 C[C@@H](N)C1=CC=CC=N1 6298AA [0,0,0,0,0,1|2,0,1]=4 142 B9R1.6 C[C@@H](N)C1=CC=CN=C1 8353AH [0,0,0,0,0,1|2,0,1]=4 143 B9R1.6 C[C@H](N)C1=CC=NC=C1 4830AJ [0,0,0,0,0,1|2,0,1]=4 144 B9R1.6 N=C(N)C1=CC=CC=C1 9278AB [0,0,0,0,0,1|3,0,0]=4 145 B9R1.6 N=C(N)C1=NC=CC=N1 6289AB [0,0,0,0,0,1|3,0,0]=4 146 B9R1.6 NC(=O)C1=CC=NN=C1 Z3384 [0,0,0,0,0,1|3,0,0]=4 147 B9R1.6 NC(=O)C1=CN=CC=C1 1853AE [0,0,0,0,0,1|2,0,0]=3 148 B9R1.6 NC(=O)C1=NC=CC=N1 Z3390 [0,0,0,0,0,1|2,0,0]=3 149 B9R1.6 O=C(O)C1=CCCOC1 X8488 [0,0,0,0,0,1|1,0,2]=4 150 B9R1.6 O=C(O)C1C=CCC=C1 Y5447 [0,0,0,0,0,1|2,0,1]=4 151 B9R1.6 O=C(S)C1=CN=CC=C1 9152AL [0,0,0,0,0,1|2,0,0]=3 152 B9R1.6 O=C([O-])C1=CC=NC=N1 2020AH [0,0,0,0,0,1|2,0,0]=3 153 B9R1.6 O=C([O-])C1=NC=CC=C1 8839AL [0,0,0,0,0,1|2,0,0]=3 154 B9R1.13 CC(=O)CC1=CC=CS1 4644AD [0,0,0,0,0,1|0,1,0]=2 155 B9R1.13 CC(=O)CC1C=CCC1 7924AF [0,0,0,0,0,1|1,0,2]=4 156 B9R1.13 CC(=O)CN1C=CN=C1 3690AD [0,0,0,0,0,1|3,0,0]=4 157 B9R1.13 CC(=O)CN1C=NC=N1 7395AE [0,0,0,0,0,1|3,0,0]=4 158 B9R1.13 CC(=O)NC1=CC=CS1 D141 [0,0,0,0,0,1|0,1,0]=2 159 B9R1.13 CC(=O)NC1=NC=CN1 7457AB [0,0,0,0,0,1|2,0,0]=3 160 B9R1.13 CC(N)CC1=CC=CO1 8493AB [0,0,0,0,0,1|1,0,1]=3 161 B9R1.13 CC(O)CC1=CC=CO1 6519AJ [0,0,0,0,0,1|0,0,2]=3 162 B9R1.13 CN(C)C=C1C=CC=C1 0768AC [0,0,0,0,0,1|3,0,0]=4 163 B9R1.13 CN(C)CC1=CC=CS1 2203AB [0,0,0,0,0,1|2,1,0]=4 164 B9R1.13 N=C(N)CC1=CC=CS1 7341AE [0,0,0,0,0,1|2,1,0]=4 165 B9R1.13 NC(=O)CC1=CSC=C1 V2784 [0,0,0,0,0,1|3,0,0]=4 166 B9R1.13 O=C(O)CC1=CC=CN1 2447AC [0,0,0,0,0,1|2,0,0]=3 167 B9R1.13 O=C(O)CC1=CNC=C1 3621AC [0,0,0,0,0,1|3,0,0]=4 168 B9R1.13 O=C(O)CC1=CSC=N1 5235AJ [0,0,0,0,0,1|3,0,0]=4 169 B9R1.13 O=C(O)CC1=NC=CN1 9876AA [0,0,0,0,0,1|3,0,0]=4 170 B9R1.13 O=C(O)CC1=NC=CS1 W4072 [0,0,0,0,0,1|2,1,0]=4 171 B9R1.13 O=C(O)CC1=NNC=C1 1006AJ [0,0,0,0,0,1|3,0,0]=4 172 B9R1.13 O=C(O)CC1=NNC=C1 1007AJ [0,0,0,0,0,1|3,0,0]=4 173 B6R0.4 C=CCOC(N)=O 0515AQ [1,0,1,0,0,0|1,0,1]=4 174 B6R0.6 C=CCC\C=C\C 4658AL [1,0,1,0,0,0|1,0,1]=4 175 B6R0.3 C\C=C(/C)C(C)=O 6105AL [1,0,1,0,0,0|0,0,2]=4 176 B6R1.2 CC1=CCCO1 0728AQ [2,0,0,0,0,0|0,0,2]=4 177 B6R1.2 CC1=NOC=C1 Z4582 [2,0,0,0,0,0|2,0,0]=4 178 B6R1.2 O=C1C=CCN1 V5771 [2,0,0,0,0,0|1,0,1]=4 179 B6R1.2 O=C1C=CCS1 1311AQ [2,0,0,0,0,0|0,1,1]=4 180 B8R0.9 COC(=O)\C=C\C(C)=O 7011AL [0,1,1,0,0,0|2,0,0]=4 181 B8R1.1 CC1=CC=C(C#N)O1 4023AD [1,1,0,0,0,0|1,0,1]=4 182 B8R1.1 CC1=CC=C(C=O)N1 3298AA [1,1,0,0,0,0|1,0,0]=3 183 B8R1.1 CC1=NOC(C=O)=C1 Y9882 [1,1,0,0,0,0|1,0,0]=3 184 B8R1.1 CSC1=CC(Br)=CS1 Z0932 [1,1,0,0,0,0|1,1,0]=4 185 B8R1.1 CSC1=CC(C)=CS1 Z0195 [1,1,0,0,0,0|1,1,0]=4 186 B8R1.1 O=CC1=CC(Br)=NO1 W4557 [1,1,0,0,0,0|1,0,0]=3 187 B8R1.1 O=CC1=CC(Cl)=CS1 8472AB [1,1,0,0,0,0|0,1,0]=3 188 B8R1.1 O=CC1=CNC(=O)N1 1313AC [1,1,0,0,0,0|2,0,0]=4 189 B8R1.1 O=CC1=NC=C(Br)S1 Y5660 [1,1,0,0,0,0|1,1,0]=4 190 B8R1.1 O=CC1=NC=C(Cl)S1 Y5482 [1,1,0,0,0,0|1,1,0]=4 191 B8R1.1 OCC1=CC(Br)=CO1 8845AB [1,1,0,0,0,0|0,0,2]=4 192 B8R1.1 OCC1=CC=C(Br)O1 Z4532 [1,1,0,0,0,0|0,0,2]=4 193 B8R1.8 BrCCC1=CC=CS1 Z5496 [1,1,0,0,0,0|0,1,1]=4 194 B8R1.8 CCCC1=CC=CO1 Z5525 [1,1,0,0,0,0|0,0,1]=3 195 B8R1.8 CCNC1=CC=CS1 W4294 [1,1,0,0,0,0|0,1,1]=4 196 B8R1.8 CNCC1=CC=CO1 7008AC [1,1,0,0,0,0|0,0,1]=3 197 B8R1.8 CNCC1=CC=NO1 4172AJ [1,1,0,0,0,0|1,0,1]=4 198 B8R1.8 NCCC1=CC=CN1 1070AJ [1,1,0,0,0,0|1,0,1]=4 199 B8R1.11 CC1=C(C=O)C=CO1 Y9472 [1,1,0,0,0,0|2,0,0]=4 200 B8R1.11 CC1=C(C=O)OC=C1 Y8751 [1,1,0,0,0,0|0,0,0]=2 201 B8R1.11 CC1=C(C=O)OC=N1 5034AD [1,1,0,0,0,0|1,0,0]=3 202 B8R1.11 CC1=C(C=O)SN=C1 4154AC [1,1,0,0,0,0|1,1,0]=4 203 B8R1.11 CC1=C(CO)OC=C1 6906AD [1,1,0,0,0,0|0,0,2]=4 204 B8R1.11 CSC1=C(Br)C=CS1 Z0767 [1,1,0,0,0,0|1,1,0]=4 205 B8R1.11 NC1=C(C=O)SC=C1 8259AB [1,1,0,0,0,0|0,1,0]=3 206 B8R1.11 O=CC1=C(Br)C=CN1 5568AB [1,1,0,0,0,0|1,0,0]=3 207 B8R1.11 O=CC1=C(Br)C=NN1 7246AC [1,1,0,0,0,0|2,0,0]=4 208 B8R1.11 O=CC1=C(Cl)N=CS1 X8699 [1,1,0,0,0,0|1,1,0]=4 209 B8R1.11 O=CC1=NNC=C1Cl Y9646 [1,1,0,0,0,0|2,0,0]=4 210 B10R1.13 C=C(C)C1=CC=C(C)C=C1 3347AA [0,1,0,0,0,1|2,0,0]=4 211 B10R1.13 C=C(C)C1=CC=C(F)C=C1 2727AL [0,1,0,0,0,1|2,0,0]=4 212 B10R1.13 CC(=O)C1=CC=C(N)C=C1 6399AL [0,1,0,0,0,1|1,0,0]=3 213 B10R1.13 CC(=O)C1=CN=C(N)C=C1 0193AB [0,1,0,0,0,1|1,0,0]=3 214 B10R1.13 CC(=O)C1=CN=C(O)C=N1 2581AA [0,1,0,0,0,1|1,0,0]=3 215 B10R1.13 CC(=O)C1=NN=C(Cl)C=C1 0919AB [0,1,0,0,0,1|1,0,0]=3 216 B10R1.13 CC1=CC=C(C(=O)[O-])C=C1 8386AA [0,1,0,0,0,1|2,0,0]=4 217 B10R1.13 CC1=CC=C([S@@](C)=O)C=C1 N143 [0,1,0,0,0,1|2,0,0]=4 218 B10R1.13 CC1=NN=C(C(=O)O)C=C1 Y9703 [0,1,0,0,0,1|2,0,0]=4 219 B10R1.13 NC(=O)C1=NC=C(N)C=N1 8288AB [0,1,0,0,0,1|2,0,0]=4 220 B10R1.13 NC(=O)C1=NN=C(O)C=C1 6449AJ [0,1,0,0,0,1|2,0,0]=4 221 B10R1.13 NC1=CC=C(C(=O)O)C=N1 3422AJ [0,1,0,0,0,1|2,0,0]=4 222 B10R1.13 NC1=CN=C(C(=O)O)N=C1 Z4892 [0,1,0,0,0,1|2,0,0]=4 223 B10R1.13 O=C([O-])C1=NN=C(Cl)C=C1 Y4602 [0,1,0,0,0,1|2,0,0]=4 224 B10R1.15 C#CC(=O)C1=CC=CC=C1 0047AQ [0,1,0,0,0,1|1,0,1]=4 225 B10R1.15 C=C(CBr)C1=CC=CC=C1 Z4610 [0,1,0,0,0,1|2,0,0]=4 226 B10R1.15 CCC(=O)C1=CC=NC=C1 8726AA [0,1,0,0,0,1|1,0,0]=3 227 B10R1.15 CCC(=O)C1=NC=CN=C1 7151AB [0,1,0,0,0,1|1,0,0]=3 228 B10R1.15 CN(N=O)C1=CC=CC=C1 8617AL [0,1,0,0,0,1|2,0,0]=4 229 B10R1.15 COC(=N)C1=NC=CN=C1 9109AE [0,1,0,0,0,1|2,0,0]=4 230 B10R1.15 COC(=O)C1=CCCCO1 5478AA [0,1,0,0,0,1|0,0,2]=4 231 B10R1.15 COC(=O)N1C=CC=CC1 3960AB [0,1,0,0,0,1|2,0,0]=4 232 B10R1.15 C\C(=N/N)C1=CC=CC=C1 1678AL [0,1,0,0,0,1|2,0,0]=4 233 B10R1.15 NCC(=O)C1=CN=CC=C1 1455AJ [0,1,0,0,0,1|1,0,0]=3 234 B10R1.15 NNC(=O)C1=CC=NC=N1 Y5417 [0,1,0,0,0,1|2,0,0]=4 235 B10R1.15 O=C(CBr)C1=CC=NC=C1 9348AB [0,1,0,0,0,1|1,0,0]=3 236 B10R1.15 O=C(CBr)C1=CN=CC=C1 9347AB [0,1,0,0,0,1|1,0,0]=3 237 B10R1.15 O=C(CBr)C1=NC=CN=C1 Z2340 [0,1,0,0,0,1|1,0,0]=3 238 B10R1.15 O=C(CCl)C1=CC=NC=C1 5498AJ [0,1,0,0,0,1|1,0,0]=3 239 B10R1.15 O=C(N[O-])C1=CC=CC=C1 8985AL [0,1,0,0,0,1|2,0,0]=4 240 B10R1.28 CS(=O)(=O)C1=NC=CC=C1 Y7797 [0,1,0,0,0,1|2,0,0]=4 241 B10R1.61 C=C(C)C1=C(C)C=CC=C1 5671AL [0,1,0,0,0,1|2,0,0]=4 242 B10R1.61 CC(=O)C1=C(O)C=NC=C1 Z4577 [0,1,0,0,0,1|1,0,0]=3 243 B10R1.61 CC(=O)C1=CC=CNC1=O W7482 [0,1,0,0,0,1|1,0,0]=3 244 B10R1.61 CC(=O)C1=NC=CC=C1Cl 5776AA [0,1,0,0,0,1|1,0,0]=3 245 B10R1.61 CC(=O)C1=NC=CC=C1O Z4085 [0,1,0,0,0,1|1,0,0]=3 246 B10R1.61 CC1=C(C(=O)O)N=CC=C1 4521AA [0,1,0,0,0,1|2,0,0]=4 247 B10R1.61 CC1=CC=CN=C1C(N)=O 3720AF [0,1,0,0,0,1|2,0,0]=4 248 B10R1.61 CC1=NC=CN=C1S(C)=O 7966AJ [0,1,0,0,0,1|2,0,0]=4 249 B10R1.61 CS(=O)C1=CC=CC=C1Br 8910AE [0,1,0,0,0,1|2,0,0]=4 250 B10R1.61 CS(=O)C1=CC=CC=C1O Z7171 [0,1,0,0,0,1|2,0,0]=4 251 B10R1.61 NC(=O)C1=C(Br)N=CC=C1 W9002 [0,1,0,0,0,1|2,0,0]=4 252 B10R1.61 NC(=O)C1=C(Cl)C=CN=C1 Y3257 [0,1,0,0,0,1|2,0,0]=4 253 B10R1.61 NC1=CN=CN=C1C(=O)O 8941AB [0,1,0,0,0,1|2,0,0]=4 254 B10R1.61 O=C(O)C1=C(I)C=NC=C1 Y5476 [0,1,0,0,0,1|2,0,0]=4 255 B10R1.61 O=C(O)C1=NC=CN=C1Br W9637 [0,1,0,0,0,1|2,0,0]=4 256 B10R1.61 O=C(O)C1=NC=CN=C1I W4424 [0,1,0,0,0,1|2,0,0]=4 257 B10R1.113 C=C(C)C1=CN=CC(Br)=C1 W6093 [0,1,0,0,0,1|2,0,0]=4 258 B10R1.113 CC(=O)C1=CC(C)=NC=N1 W7770 [0,1,0,0,0,1|1,0,0]=3 259 B10R1.113 CC(=O)C1=CC(F)=CN=C1 3535AA [0,1,0,0,0,1|1,0,0]=3 260 B10R1.113 CC(=O)C1=NC(F)=CC=C1 6832AB [0,1,0,0,0,1|1,0,0]=3 261 B10R1.113 CC(=O)C1=NC(N)=NC=C1 8301AC [0,1,0,0,0,1|1,0,0]=3 262 B10R1.113 CC1=CC(C(N)=O)=NC=C1 5258AE [0,1,0,0,0,1|2,0,0]=4 263 B10R1.113 CC1=NC(C(=O)O)=NC=C1 Z5358 [0,1,0,0,0,1|2,0,0]=4 264 B10R1.113 CC1=NC(C(N)=O)=NC=C1 6042AA [0,1,0,0,0,1|2,0,0]=4 265 B10R1.113 C[N+]1=CC(C(=O)O)=CC=C1 7814AH [0,1,0,0,0,1|2,0,0]=4 266 B10R1.113 NC(=O)C1=NC(F)=CC=C1 V5539 [0,1,0,0,0,1|2,0,0]=4 267 B10R1.113 O=C(Cl)C1=CC(F)=NC=C1 Z2563 [0,1,0,0,0,1|2,0,0]=4 268 B10R1.113 O=C(O)C1=CN=CC(I)=C1 Z4205 [0,1,0,0,0,1|2,0,0]=4 269 B10R1.113 O=C(O)C1=NC=CC(F)=C1 W9141 [0,1,0,0,0,1|2,0,0]=4 270 B10R1.113 O=C([O-])C1=CC(O)=CC=C1 8975AL [0,1,0,0,0,1|2,0,0]=4 271 B10R1.113 O=C([O-])C1=NC=CC(I)=C1 6772AE [0,1,0,0,0,1|2,0,0]=4 272 B10R1.23 CC(C(=O)O)C1=CC=CS1 7991AB [0,1,0,0,0,1|1,1,0]=4 273 B10R1.27 COC(=O)CC1=CSC=C1 3590AL [0,1,0,0,0,1|2,0,0]=4 274 B10R1.27 O=C(CCl)NC1=NC=CS1 5342AE [0,1,0,0,0,1|1,1,0]=4 275 B10R1.54 CC(=O)NC1=NC=C(C)S1 V6925 [0,1,0,0,0,1|1,1,0]=4 276 B10R1.54 CC(=O)NC1=NC=C(Cl)S1 0584AQ [0,1,0,0,0,1|1,1,0]=4 277 B10R1.54 CC(=O)NC1=NNC(C)=C1 W8674 [0,1,0,0,0,1|2,0,0]=4 278 B10R1.54 CC(=O)NC1=NOC(C)=C1 5950AA [0,1,0,0,0,1|2,0,0]=4 279 B10R1.54 CC1=CC=C(CC(=O)O)S1 0941AC [0,1,0,0,0,1|1,1,0]=4 280 B10R1.54 O=C(O)CC1=CC=C(Cl)S1 1145AL [0,1,0,0,0,1|1,1,0]=4 281 B10R1.6 CNS(=O)(=O)C1=CC=CS1 5098AE [0,2,0,0,0,0|1,1,0]=4 282 B10R1.11 CCCC(=O)C1=CC=CO1 Z5524 [0,2,0,0,0,0|0,0,0]=2 283 B10R1.11 CCOC(=O)C1=CNC=C1 Z4680 [0,2,0,0,0,0|2,0,0]=4 284 B10R1.11 N#CCC(=O)C1=COC=C1 4515AF [0,2,0,0,0,0|2,0,0]=4 285 B10R1.11 N#CCC(=O)C1=CSC=C1 8365AE [0,2,0,0,0,0|2,0,0]=4 286 B10R1.14 CC1=CC=C(C(=O)CCl)S1 V5115 [0,2,0,0,0,0|0,1,0]=3 287 B10R1.14 CCC(=O)C1=CC=C(C)S1 6348AE [0,2,0,0,0,0|0,1,0]=3 288 B10R1.14 CCC(N)C1=CC=C(C)O1 9845AB [0,2,0,0,0,0|1,0,1]=4 289 B10R1.14 CC[C@@H](N)C1=CC=C(C)O1 2910AH [0,2,0,0,0,0|1,0,1]=4 290 B10R1.14 CC[C@H](N)C1=CC=C(C)O1 6453AB [0,2,0,0,0,0|1,0,1]=4 291 B10R1.14 COC(=O)C1=CC(C)=CN1 0966AE [0,2,0,0,0,0|1,0,0]=3 292 B10R1.14 COC(=O)C1=CC(C)=NO1 0210AA [0,2,0,0,0,0|1,0,0]=3 293 B10R1.14 COC(=O)C1=CC(F)=CS1 0106AP [0,2,0,0,0,0|0,1,0]=3 294 B10R1.14 COC(=O)C1=CC(O)=NN1 X6430 [0,2,0,0,0,0|2,0,0]=4 295 B10R1.14 COC(=O)C1=CC=C(Cl)O1 7113AJ [0,2,0,0,0,0|0,0,0]=2 296 B10R1.14 COC(=O)C1=NN=C(C)O1 Z4673 [0,2,0,0,0,0|2,0,0]=4 297 B10R1.14 O=C(CCl)C1=CC=C(Cl)S1 1639AJ [0,2,0,0,0,0|0,1,0]=3 298 B10R1.149 CN1C=CC=C1C(=O)CCl 8011AD [0,2,0,0,0,0|1,0,0]=3 299 B10R1.149 CNC(=O)C1=C(N)C=CS1 4490AD [0,2,0,0,0,0|0,1,0]=3 300 B10R1.149 CNC(=O)C1=CC=CN1C 1103AC [0,2,0,0,0,0|1,0,0]=3 301 B10R1.149 COC(=O)C1=C(Br)NC=N1 1835AA [0,2,0,0,0,0|2,0,0]=4 302 B10R1.149 COC(=O)C1=C(Br)OC=C1 0182AB [0,2,0,0,0,0|2,0,0]=4 303 B10R1.149 COC(=O)C1=C(C)C=NO1 8607AD [0,2,0,0,0,0|1,0,0]=3 304 B10R1.149 COC(=O)C1=C(C)N=CO1 1472AB [0,2,0,0,0,0|1,0,0]=3 305 B10R1.149 COC(=O)C1=C(C)SC=N1 V7296 [0,2,0,0,0,0|2,0,0]=4 306 B10R1.149 COC(=O)C1=C(N)C=NN1 Z4528 [0,2,0,0,0,0|2,0,0]=4 307 B10R1.149 COC(=O)C1=C(O)C=CN1 2368AC [0,2,0,0,0,0|1,0,0]=3 308 B10R1.149 COC(=O)C1=CC=CN1N 4226AA [0,2,0,0,0,0|1,0,0]=3 309 B10R1.149 COC(=O)C1=NNC=C1C 0628AC [0,2,0,0,0,0|2,0,0]=4 310 B10R1.149 COC(=O)C1=NNC=C1F X3413 [0,2,0,0,0,0|2,0,0]=4 311 B10R1.149 COC(=O)C1=NNC=C1I 6533AA [0,2,0,0,0,0|2,0,0]=4 312 B10R1.149 COC(=O)C1=NNC=C1N 4526AB [0,2,0,0,0,0|2,0,0]=4 313 B10R1.149 O=C(CBr)C1=C(Br)C=CS1 0045AF [0,2,0,0,0,0|0,1,0]=3 314 B10R1.55 CS(=O)(=O)C1=CC=C(Br)S1 0991AB [0,2,0,0,0,0|1,1,0]=4 315 B10R1.31 C#CC1=CC=C(C(C)=O)S1 0109AC [0,2,0,0,0,0|0,1,0]=3 316 B10R1.31 CC(=O)C1=CC(C=O)=CS1 3015AE [0,2,0,0,0,0|0,1,0]=3 317 B10R1.31 CCC1=CC=C(C(=O)Cl)S1 9939AB [0,2,0,0,0,0|1,1,0]=4 318 B10R1.31 CCC1=CC=C(C(=O)O)O1 8236AB [0,2,0,0,0,0|1,0,0]=3 319 B10R1.31 CCC1=CC=C(C(=O)O)S1 Z2977 [0,2,0,0,0,0|1,1,0]=4 320 B10R1.31 CCC1=NOC(C(=O)O)=C1 7251AA [0,2,0,0,0,0|2,0,0]=4 321 B10R1.31 CN(C)C1=CC=C(C=O)O1 1748AE [0,2,0,0,0,0|2,0,0]=4 322 B10R1.31 COC1=CC=C(C(=O)O)O1 3836AF [0,2,0,0,0,0|1,0,0]=3 323 B10R1.31 COC1=NOC(C(=O)O)=C1 6455AA [0,2,0,0,0,0|2,0,0]=4 324 B10R1.31 N#CC1=CC=C(C(=O)O)O1 0820AB [0,2,0,0,0,0|1,0,0]=3 325 B10R1.31 N#CC1=CNC(C(=O)O)=C1 X5552 [0,2,0,0,0,0|2,0,0]=4 326 B10R1.31 O=[N+]([O-])C1=CC=C(CBr)O1 0749AQ [0,2,0,0,0,0|2,0,0]=4 327 B10R1.58 CC(=O)C1=CC(C)=C(Br)S1 3393AC [0,2,0,0,0,0|0,1,0]=3 328 B10R1.58 CC1=C(Br)C=C(C(=O)O)S1 2990AB [0,2,0,0,0,0|1,1,0]=4 329 B10R1.58 NC1=C(Br)SC(C(=O)O)=C1 4819AC [0,2,0,0,0,0|1,1,0]=4 330 B10R1.58 NC1=C(Br)SC(C(=O)O)=C1 4820AC [0,2,0,0,0,0|1,1,0]=4 331 B10R1.58 O=C(O)C1=CC(Br)=C(Br)N1 1031AE [0,2,0,0,0,0|2,0,0]=4 332 B10R1.59 CC(=O)C1=C(Br)SC(Br)=C1 5769AJ [0,2,0,0,0,0|2,0,0]=4 333 B10R1.59 CC(=O)C1=C(C)SC(C)=N1 7416AB [0,2,0,0,0,0|2,0,0]=4 334 B10R1.59 CC(=O)C1=C(C)SC(N)=N1 5422AB [0,2,0,0,0,0|2,0,0]=4 335 B10R1.59 CC(=O)C1=CC(C)=NN1C W8962 [0,2,0,0,0,0|2,0,0]=4 336 B10R1.59 O=C(O)C1=C(Br)C=C(Br)S1 Y9935 [0,2,0,0,0,0|1,1,0]=4 337 B10R1.194 CC(=O)C1=C(Br)C(Br)=CS1 5934AE [0,2,0,0,0,0|0,1,0]=3 338 B10R1.194 CC1=CSC(C(=O)O)=C1Cl 7815AD [0,2,0,0,0,0|1,1,0]=4 339 B10R1.194 CC1=CSC(C(=O)O)=C1N 1700AB [0,2,0,0,0,0|1,1,0]=4 340 B10R1.39 CCN1N=CC=C1C(C)=O 3995AF [0,2,0,0,0,0|2,0,0]=4 341 B10R1.39 N#CC1=C(C(=O)O)NC=C1 1062AC [0,2,0,0,0,0|2,0,0]=4 342 B8R1.4 CC1=CC=CC(=S)N1 0770AQ [0,0,1,1,0,0|1,1,0]=4 343 B8R1.4 NC1=CC(O)=CC=C1 I722 [0,0,1,1,0,0|1,0,1]=4 344 B8R1.4 NC1=CC=CC(O)=C1 7262AB [0,0,1,1,0,0|1,0,1]=4 345 B8R1.22 O=C1C=CC=CC=C1 1296AQ [0,0,1,1,0,0|1,0,1]=4 346 B8R1.5 CC1=C(S)C=CC=C1 7880AF [0,0,1,1,0,0|1,1,0]=4 347 B8R1.5 CC1=CC=CC=C1O Z3651 [0,0,1,1,0,0|1,0,0]=3 348 B10R2.2 CC1=NC2=C(C=CS2)S1 C920 [0,0,0,1,0,1|0,2,0]=4 349 B6R1.11 CC(=O)C1CO1 3696AE [0,0,0,0,2,0|0,0,2]=4 350 B8R1.2 C=CC1=NC=CN=C1 R581 [1,0,0,0,0,1|1,0,1]=4 351 B8R1.2 O=CC1=CN=NC=C1 7044AB [1,0,0,0,0,1|2,0,0]=4 352 B8R1.2 O=CC1=NC=CC=N1 Y3220 [1,0,0,0,0,1|1,0,0]=3 353 B8R1.2 O=[As]C1=CC=CC=C1 7620AF [1,0,0,0,0,1|2,0,0]=4 354 B10R1.18 CC(=O)CC1=CN=CC=C1 9974AH [0,0,0,0,0,2|1,0,0]=3 355 B10R1.18 CC(=O)CC1=NC=CN=C1 0450AC [0,0,0,0,0,2|1,0,0]=3 356 B10R1.18 CC(=S)NC1=CC=CC=C1 8077AF [0,0,0,0,0,2|1,1,0]=4 357 B10R1.18 CC(C)=CC1=CC=CC=C1 1982AC [0,0,0,0,0,2|2,0,0]=4 358 B10R1.18 O=C(O)CC1=CC=NC=N1 W5433 [0,0,0,0,0,2|2,0,0]=4 359 B10R1.18 O=C(O)CC1=NC=CC=C1 Y7391 [0,0,0,0,0,2|2,0,0]=4 360 B10R1.18 O=C(O)CC1=NC=CC=N1 W7752 [0,0,0,0,0,2|2,0,0]=4 361 B10R1.66 CC(=O)CCN1C=CC=N1 2604AF [0,0,0,0,0,2|2,0,0]=4 362 B10R1.66 CC(N)CCC1=CC=CO1 9476AE [0,0,0,0,0,2|1,0,1]=4 363 B10R1.66 CN(C)\N=C\C1=CC=CO1 0768AQ [0,0,0,0,0,2|2,0,0]=4 364 B10R1.66 NC(=O)NCC1=CC=CO1 8875AB [0,0,0,0,0,2|1,0,0]=3 365 B10R1.66 O=C(Cl)\C=C\C1=CC=CS1 9119AD [0,0,0,0,0,2|1,1,0]=4 366 B10R1.66 O=C(O)CCC1=CC=CN1 X6372 [0,0,0,0,0,2|2,0,0]=4 367 B10R1.66 O=C(O)CCC1=CC=NO1 6864AC [0,0,0,0,0,2|2,0,0]=4 368 B10R1.66 O=[N+]([O-])\C=C\C1=CC=CO1 X6258 [0,0,0,0,0,2|2,0,0]=4