0 B8R1.8 BrCCC1=CC=CO1 1031AJ [0,0,0,0,0,0|1,1,0]=2 1 B8R1.8 CNCC1=CC=NO1 4173AJ [0,0,0,0,0,0|3,1,0]=4 2 B8R1.8 CNCC1=CNC=N1 0737AD [0,0,0,0,0,0|4,0,0]=4 3 B8R1.8 N#CCC1=NC=CS1 4664AJ [0,0,0,0,0,0|1,0,2]=3 4 B8R1.8 NCCC1=CON=C1 1755AJ [0,0,0,0,0,0|3,0,0]=3 5 B8R1.8 NCCN1C=CN=N1 5980AB [0,0,0,0,0,0|3,0,0]=3 6 B8R1.8 O=C=NC1=NC=CS1 X3406 [0,0,0,0,0,0|3,0,1]=4 7 B8R1.8 O=CCN1C=CC=N1 6960AC [0,0,0,0,0,0|3,0,1]=4 8 B8R1.8 OCCC1=NC=CS1 4751AC [0,0,0,0,0,0|2,0,0]=2 9 B7R1.1 BrCC1=CC=NO1 0787AC [1,0,0,0,0,0|2,1,0]=4 10 B7R1.1 BrCC1=CN=CS1 Y7777 [1,0,0,0,0,0|2,0,0]=3 11 B7R1.1 BrCC1=CNC=N1 2559AC [1,0,0,0,0,0|3,0,0]=4 12 B7R1.1 BrCC1=COC=C1 Z5546 [1,0,0,0,0,0|3,0,0]=4 13 B7R1.1 BrCC1=NC=CS1 5217AA [1,0,0,0,0,0|2,0,0]=3 14 B7R1.1 C=CC1=NC=CS1 Y1855 [1,0,0,0,0,0|1,0,2]=4 15 B7R1.1 CCC1=CCCC1 4839AL [1,0,0,0,0,0|1,0,2]=4 16 B7R1.1 CCC1=CNN=C1 5501AD [1,0,0,0,0,0|3,0,0]=4 17 B7R1.1 CCC1=CSC=N1 9240AA [1,0,0,0,0,0|2,0,0]=3 18 B7R1.1 CCC1=[C-]CC=C1 3755AB [1,0,0,0,0,0|1,0,1]=3 19 B7R1.1 CNC1=NC=CO1 6947AC [1,0,0,0,0,0|2,1,0]=4 20 B7R1.1 CSC1=CC=CO1 3661AD [1,0,0,0,0,0|1,1,0]=3 21 B7R1.1 ClCC1=CN=CO1 8892AA [1,0,0,0,0,0|2,1,0]=4 22 B7R1.1 ClCC1=CN=CS1 Z3006 [1,0,0,0,0,0|2,0,0]=3 23 B7R1.1 ClCC1=COC=N1 1964AC [1,0,0,0,0,0|3,0,0]=4 24 B7R1.1 ClCC1=NOC=C1 8517AB [1,0,0,0,0,0|3,0,0]=4 25 B7R1.1 NCC1=CC=NO1 5355AB [1,0,0,0,0,0|1,1,0]=3 26 B7R1.1 NCC1=CNN=C1 3378AA [1,0,0,0,0,0|3,0,0]=4 27 B7R1.1 NCC1=CON=C1 3103AA [1,0,0,0,0,0|3,0,0]=4 28 B7R1.1 NCC1=CON=C1 8976AA [1,0,0,0,0,0|3,0,0]=4 29 B7R1.1 NCC1=NC=CS1 Y9458 [1,0,0,0,0,0|1,0,0]=2 30 B7R1.1 NNC1=NC=CN1 8326AH [1,0,0,0,0,0|3,0,0]=4 31 B7R1.1 OCC1=CC=NS1 8796AA [1,0,0,0,0,0|2,0,0]=3 32 B7R1.1 OCC1=CN=NS1 3511AA [1,0,0,0,0,0|3,0,0]=4 33 B7R1.1 OCC1=NC=CS1 1650AB [1,0,0,0,0,0|2,0,0]=3 34 B9R1.7 CC1=CN(CCN)N=C1 7229AC [0,1,0,0,0,0|2,0,0]=3 35 B9R1.7 CC1=CN=C(CCN)S1 3258AF [0,1,0,0,0,0|1,0,0]=2 36 B9R1.7 CC1=NC(CCN)=CN1 4612AB [0,1,0,0,0,0|2,0,0]=3 37 B9R1.7 CC1=NC(CCN)=NN1 6359AB [0,1,0,0,0,0|3,0,0]=4 38 B9R1.7 CC1=NC=C(CCN)N1 3349AC [0,1,0,0,0,0|2,0,0]=3 39 B9R1.7 CC1=NN(CCBr)C=C1 1234AC [0,1,0,0,0,0|3,0,0]=4 40 B9R1.7 CC1=NN(CCN)C=C1 6993AE [0,1,0,0,0,0|2,0,0]=3 41 B9R1.7 CC1=NN=C(CCN)O1 1219AJ [0,1,0,0,0,0|2,1,0]=4 42 B9R1.7 CC1=NOC(CCN)=N1 4496AD [0,1,0,0,0,0|2,1,0]=4 43 B9R1.7 CC1=NOC(CCN)=N1 4497AD [0,1,0,0,0,0|2,1,0]=4 44 B9R1.7 CCCC1=CN=C(N)S1 5101AB [0,1,0,0,0,0|2,0,0]=3 45 B9R1.7 COCC1=CN=C(N)S1 Y1638 [0,1,0,0,0,0|3,0,0]=4 46 B9R1.7 NCCC1=CSC(N)=N1 4600AA [0,1,0,0,0,0|2,0,0]=3 47 B9R1.7 NCCC1=NN=C(N)S1 9144AE [0,1,0,0,0,0|2,0,0]=3 48 B9R1.7 NNCC1=CC=C(Cl)S1 1543AL [0,1,0,0,0,0|1,0,0]=2 49 B9R1.11 CC(CN)N1C=NC=N1 1307AF [0,1,0,0,0,0|3,0,0]=4 50 B9R1.11 CNC(C)C1=CC=CO1 0219AD [0,1,0,0,0,0|2,1,0]=4 51 B9R1.11 O=C(CBr)C1=CN=CS1 1590AJ [0,1,0,0,0,0|2,0,1]=4 52 B9R1.11 O=C(CCl)C1=CC=CS1 9376AD [0,1,0,0,0,0|1,0,1]=3 53 B9R1.12 C#CCCC1=CNC=N1 1295AB [0,1,0,0,0,0|3,0,0]=4 54 B9R1.12 CCCCC1C=CC=C1 5026AC [0,1,0,0,0,0|2,0,1]=4 55 B9R1.12 CCNCC1=NC=CS1 3799AD [0,1,0,0,0,0|2,0,0]=3 56 B9R1.12 NCCCC1=CN=CN1 Y1963 [0,1,0,0,0,0|2,0,0]=3 57 B9R1.12 NCCCC1=NC=CN1 2918AE [0,1,0,0,0,0|2,0,0]=3 58 B9R1.12 NCCCN1C=NC=N1 Y9857 [0,1,0,0,0,0|3,0,0]=4 59 B9R1.12 OCCCC1=CNC=N1 2192AL [0,1,0,0,0,0|3,0,0]=4 60 B9R1.13 CC(C)CC1=NC=CN1 6734AE [0,1,0,0,0,0|3,0,0]=4 61 B9R1.13 CC(C)CN1C=CC=C1 7103AD [0,1,0,0,0,0|3,0,0]=4 62 B9R1.13 CC(N)CC1=NNC=C1 1362AL [0,1,0,0,0,0|2,0,0]=3 63 B9R1.13 NC(=O)CC1=CSC=N1 4708AE [0,1,0,0,0,0|2,0,1]=4 64 B9R1.13 O=C(O)CC1=CN=CS1 7407AB [0,1,0,0,0,0|2,0,1]=4 65 B9R1.33 CN1C=NC=C1CNN 4618AC [0,1,0,0,0,0|3,0,0]=4 66 B9R1.33 CNCC1=C(C)N=CS1 3248AF [0,1,0,0,0,0|3,0,0]=4 67 B9R1.33 NCCC1=C(Br)SC=C1 4754AC [0,1,0,0,0,0|2,0,0]=3 68 B7R0.1 C=CC\C=C\CCC 4639AL [0,0,1,0,0,0|2,0,1]=4 69 B9R2.3 C1=NC2=C(CNC2)S1 6289AJ [0,0,0,1,0,0|3,0,0]=4 70 B9R1.8 CNCC1=CC=NC=N1 4986AA [0,0,0,0,0,1|3,0,0]=4 71 B9R1.8 CNCC1=CN=CC=C1 7435AH [0,0,0,0,0,1|3,0,0]=4 72 B9R1.8 ClCCC1=CC=NC=C1 2738AB [0,0,0,0,0,1|2,0,0]=3 73 B9R1.8 ClCCC1=CN=CC=C1 5261AB [0,0,0,0,0,1|2,0,0]=3 74 B9R1.8 Cl[Mg]CC1=CC=CC=C1 8408AJ [0,0,0,0,0,1|3,0,0]=4 75 B9R1.8 NCCC1=CN=CN=C1 3332AC [0,0,0,0,0,1|2,0,0]=3 76 B9R1.8 NCCC1=NC=CC=N1 4806AC [0,0,0,0,0,1|1,0,0]=2 77 B9R1.8 NCCC1=NC=NC=C1 1885AJ [0,0,0,0,0,1|1,0,0]=2 78 B9R1.8 NCCC1=NC=NC=C1 1886AJ [0,0,0,0,0,1|1,0,0]=2 79 B9R1.8 NNCC1=CC=CC=N1 4874AC [0,0,0,0,0,1|2,0,0]=3 80 B9R1.8 NNCC1=NC=CN=C1 1808AL [0,0,0,0,0,1|2,0,0]=3 81 B9R1.8 NNCC1=NC=CN=C1 5211AA [0,0,0,0,0,1|2,0,0]=3 82 B9R1.8 O=CCC1=CC=CN=C1 5877AB [0,0,0,0,0,1|2,0,1]=4 83 B9R1.8 OCCC1=NC=CC=N1 1887AJ [0,0,0,0,0,1|2,0,0]=3 84 B9R1.8 OCCC1=NC=NC=C1 0497AC [0,0,0,0,0,1|2,0,0]=3 85 B6R1.2 CC1=CNC=C1 W7383 [2,0,0,0,0,0|2,0,0]=4 86 B6R1.2 CC1=COC=C1 X5961 [2,0,0,0,0,0|2,0,0]=4 87 B6R1.2 ClC1=CN=CS1 5751AB [2,0,0,0,0,0|2,0,0]=4 88 B6R1.2 NC1=CC=CS1 9727AA [2,0,0,0,0,0|0,0,0]=2 89 B6R1.2 NC1=CC=CS1 Y9627 [2,0,0,0,0,0|0,0,0]=2 90 B6R1.2 NC1=COC=N1 4441AJ [2,0,0,0,0,0|2,0,0]=4 91 B6R1.2 NC1=CSC=N1 Y6641 [2,0,0,0,0,0|2,0,0]=4 92 B6R1.2 OC1=CC=CO1 X6571 [2,0,0,0,0,0|1,1,0]=4 93 B8R1.1 BrCC1=CC(Br)=CS1 2458AC [1,1,0,0,0,0|1,0,0]=3 94 B8R1.1 CC1=CSC(CCl)=N1 4416AE [1,1,0,0,0,0|2,0,0]=4 95 B8R1.1 CC1=CSC(CN)=N1 V6316 [1,1,0,0,0,0|1,0,0]=3 96 B8R1.1 CC1=NC(CN)=CS1 8526AH [1,1,0,0,0,0|2,0,0]=4 97 B8R1.1 CC1=NN=C(CN)S1 2280AC [1,1,0,0,0,0|2,0,0]=4 98 B8R1.1 CCC1=CSC(Br)=N1 Y4584 [1,1,0,0,0,0|2,0,0]=4 99 B8R1.1 COC1=CC=C(Br)S1 8374AB [1,1,0,0,0,0|1,0,0]=3 100 B8R1.1 ClCC1=NC=C(Br)S1 6925AB [1,1,0,0,0,0|2,0,0]=4 101 B8R1.1 N#CC1=CC(F)=CS1 0107AP [1,1,0,0,0,0|0,0,2]=4 102 B8R1.1 N#CC1=CC=C(Cl)S1 6946AB [1,1,0,0,0,0|0,0,2]=4 103 B8R1.1 NCC1=CC(Cl)=CS1 0924AB [1,1,0,0,0,0|0,0,0]=2 104 B8R1.1 NCC1=CC=C(Br)O1 4771AJ [1,1,0,0,0,0|0,1,0]=3 105 B8R1.1 NCC1=CSC(Cl)=C1 6085AC [1,1,0,0,0,0|2,0,0]=4 106 B8R1.1 NCC1=CSC(N)=N1 6664AD [1,1,0,0,0,0|2,0,0]=4 107 B8R1.1 NCC1=NC(Br)=CS1 8754AH [1,1,0,0,0,0|1,0,0]=3 108 B8R1.1 NCC1=NC=C(Br)S1 3892AJ [1,1,0,0,0,0|1,0,0]=3 109 B8R1.1 NCC1=NC=C(Cl)S1 8839AH [1,1,0,0,0,0|1,0,0]=3 110 B8R1.1 NCC1=NC=C(Cl)S1 8840AH [1,1,0,0,0,0|1,0,0]=3 111 B8R1.1 NCC1=NN=C(N)S1 6312AE [1,1,0,0,0,0|2,0,0]=4 112 B8R1.1 O=CC1=CC(F)=CS1 3616AB [1,1,0,0,0,0|1,0,1]=4 113 B8R1.1 O=CC1=CC=C(F)S1 2922AL [1,1,0,0,0,0|1,0,1]=4 114 B8R1.1 OCC1=CC(Br)=CN1 2105AC [1,1,0,0,0,0|2,0,0]=4 115 B8R1.7 CC(C)C1=CN=CS1 8424AA [1,1,0,0,0,0|1,0,0]=3 116 B8R1.7 CC(N)C1=CC=NO1 Z3517 [1,1,0,0,0,0|1,1,0]=4 117 B8R1.7 CC(N)C1=CN=CO1 3478AB [1,1,0,0,0,0|1,1,0]=4 118 B8R1.7 CC(N)C1=CNC=N1 9364AH [1,1,0,0,0,0|2,0,0]=4 119 B8R1.7 CC(N)C1=NC=CS1 5721AC [1,1,0,0,0,0|1,0,0]=3 120 B8R1.7 N=C(N)C1=CC=CO1 5380AE [1,1,0,0,0,0|0,1,1]=4 121 B8R1.7 N=C(N)C1=CC=CS1 1905AJ [1,1,0,0,0,0|0,0,1]=3 122 B8R1.11 CC1=C(CCl)SC=N1 7109AC [1,1,0,0,0,0|2,0,0]=4 123 B8R1.11 CC1=C(CN)N=CN1 7784AE [1,1,0,0,0,0|2,0,0]=4 124 B8R1.11 CCC1=C(C)N=CS1 3502AB [1,1,0,0,0,0|1,0,0]=3 125 B8R1.11 CCC1=CC=NN1C 2989AE [1,1,0,0,0,0|2,0,0]=4 126 B8R1.11 CN1C=CN=C1CN 7571AB [1,1,0,0,0,0|2,0,0]=4 127 B8R1.11 CN1N=CC=C1CN 3010AA [1,1,0,0,0,0|2,0,0]=4 128 B8R1.11 CNC1=C(N)C=CS1 5831AA [1,1,0,0,0,0|1,0,0]=3 129 B8R1.11 NCC1=C(Br)SC=C1 8483AH [1,1,0,0,0,0|2,0,0]=4 130 B8R1.11 O=CC1=C(F)C=CS1 3618AB [1,1,0,0,0,0|1,0,1]=4 131 B10R1.1 CC1=NC=C(CNN)C=C1 0436AA [0,1,0,0,0,1|2,0,0]=4 132 B10R1.1 NCCC1=CN=C(Br)C=C1 5186AC [0,1,0,0,0,1|1,0,0]=3 133 B10R1.1 NCCC1=CN=C(Cl)C=C1 7778AB [0,1,0,0,0,1|1,0,0]=3 134 B10R1.4 NC1=NC=CC=C1CCO 6447AC [0,1,0,0,0,1|2,0,0]=4 135 B10R1.4 NCCC1=C(F)C=CC=N1 1108AJ [0,1,0,0,0,1|1,0,0]=3 136 B10R1.4 NCCN1C=CC=CC1=O Y8846 [0,1,0,0,0,1|2,0,0]=4 137 B10R1.4 NOCC1=CC=CC=C1Br 7199AB [0,1,0,0,0,1|2,0,0]=4 138 B10R1.10 CC1=NC=CC(CCN)=C1 Y9654 [0,1,0,0,0,1|1,0,0]=3 139 B10R1.10 CC1=NC=CC(CNN)=C1 2499AD [0,1,0,0,0,1|2,0,0]=4 140 B10R1.10 CCCC1=CC(F)=CC=C1 2809AB [0,1,0,0,0,1|2,0,0]=4 141 B10R1.10 CCCC1=CC(N)=NC=C1 2921AJ [0,1,0,0,0,1|2,0,0]=4 142 B10R1.10 CCCC1=NC=CC(Cl)=C1 2766AJ [0,1,0,0,0,1|2,0,0]=4 143 B10R1.10 CCCC1=NC=CC(Cl)=C1 Z2848 [0,1,0,0,0,1|2,0,0]=4 144 B10R1.10 NCCC1=CC(Br)=CN=C1 1207AJ [0,1,0,0,0,1|1,0,0]=3 145 B10R1.10 NCCC1=NC(Cl)=CC=C1 5821AC [0,1,0,0,0,1|1,0,0]=3 146 B10R1.10 NNCC1=CC=CC(O)=C1 W8565 [0,1,0,0,0,1|2,0,0]=4 147 B10R1.10 NOCC1=CC(Br)=CC=C1 7993AA [0,1,0,0,0,1|2,0,0]=4 148 B10R1.15 NC(CO)C1=CC=CC=N1 1469AJ [0,1,0,0,0,1|2,0,0]=4 149 B10R1.15 NC(CO)C1=CC=NC=C1 1231AC [0,1,0,0,0,1|2,0,0]=4 150 B10R1.15 NCC(=O)C1=CC=NC=C1 1463AJ [0,1,0,0,0,1|1,0,1]=4 151 B10R1.15 NCC(=O)C1=NC=CC=C1 1454AJ [0,1,0,0,0,1|1,0,1]=4 152 B10R1.15 NCC(=O)C1=NC=CC=C1 1462AJ [0,1,0,0,0,1|1,0,1]=4 153 B10R1.15 NCC(O)C1=CC=CC=C1 3929AE [0,1,0,0,0,1|1,0,0]=3 154 B10R1.15 NCC(O)C1=CC=NC=C1 1456AJ [0,1,0,0,0,1|1,0,0]=3 155 B10R1.15 NC[C@@H](F)C1=CC=CC=C1 0407AQ [0,1,0,0,0,1|1,0,0]=3 156 B10R1.17 BrCCCC1=CN=CC=C1 8653AC [0,1,0,0,0,1|2,0,0]=4 157 B10R1.17 NCCNC1=CN=CC=N1 6077AB [0,1,0,0,0,1|1,0,0]=3 158 B10R1.17 NC\C=C\C1=CC=CC=C1 5624AE [0,1,0,0,0,1|1,0,1]=4 159 B10R1.17 OCCCC1=NC=CC=N1 2038AJ [0,1,0,0,0,1|2,0,0]=4 160 B10R1.17 OCCCC1=NC=CN=C1 2035AJ [0,1,0,0,0,1|2,0,0]=4 161 B10R1.18 CC(O)CC1=CC=CC=N1 5034AE [0,1,0,0,0,1|2,0,0]=4 162 B10R1.18 N=C(N)CC1=CN=CC=C1 4101AE [0,1,0,0,0,1|1,0,1]=4 163 B10R1.16 CC1=NN(CCCN)C=C1 6994AE [0,2,0,0,0,0|2,0,0]=4 164 B10R1.16 CC1=NN=C(NCCN)S1 3567AF [0,2,0,0,0,0|2,0,0]=4 165 B10R1.16 NCCCC1=CSC(N)=N1 3997AD [0,2,0,0,0,0|2,0,0]=4 166 B10R1.54 CC1=CN(CC(C)N)N=C1 7236AC [0,2,0,0,0,0|2,0,0]=4 167 B10R1.11 O=C(CCCl)C1=CC=CS1 Y1223 [0,2,0,0,0,0|1,0,0]=3 168 B10R1.11 O[C@@H](CCCl)C1=CC=CS1 8336AA [0,2,0,0,0,0|1,0,0]=3 169 B10R1.27 N[C@@H](CO)CC1=CNC=N1 K295 [0,2,0,0,0,0|2,0,0]=4 170 B10R1.5 CCN1N=CC=C1CCN 3371AD [0,2,0,0,0,0|2,0,0]=4 171 B10R2.6 C1=CC(C2CC2)=CN=C1 Y1556 [0,0,0,1,0,1|2,0,0]=4 172 B10R2.7 C1=CC2=C(C=N1)CCC2 7574AB [0,0,0,1,0,1|2,0,0]=4 173 B10R2.7 C1=CC2=C(C=N1)CCN2 1362AJ [0,0,0,1,0,1|1,0,0]=3 174 B10R2.14 BrC1=NC=C(C2CC2)S1 1613AJ [0,1,0,1,0,0|2,0,0]=4 175 B10R2.14 NC1=NC=C(C2CC2)S1 3203AJ [0,1,0,1,0,0|2,0,0]=4 176 B10R2.32 NC1CCC2=C1C=CS2 3029AJ [0,1,0,1,0,0|0,0,0]=2 177 B10R2.32 NC1CCC2=C1C=CS2 3030AJ [0,1,0,1,0,0|0,0,0]=2 178 B10R2.32 OC1CCC2=C1C=CS2 3031AJ [0,1,0,1,0,0|1,0,0]=3 179 B10R2.16 NC1(C2=CC=CS2)CC1 3801AD [0,1,0,1,0,0|1,0,0]=3