0 B8R1.7 CC(=O)C1=CC=NO1 BB31-6420 [0,0,0,0,0,0|2,1,0]=3 1 B8R1.7 CC(=O)C1=CN=CO1 BB31-9843 [0,0,0,0,0,0|2,1,0]=3 2 B8R1.7 CC(N)C1=CC=CS1 BB32-0760 [0,0,0,0,0,0|2,0,1]=3 3 B8R1.7 CC(N)C1=NC=CS1 BB31-5454 [0,0,0,0,0,0|1,0,1]=2 4 B8R1.7 C[C@@H](O)C1=NC=CS1 BB32-0283 [0,0,0,0,0,0|0,0,2]=2 5 B8R1.7 C[C@H](O)C1=NC=CS1 BB31-9911 [0,0,0,0,0,0|0,0,2]=2 6 B8R1.7 N=C(N)C1=CC=CO1 BB52-5806 [0,0,0,0,0,0|3,1,0]=4 7 B8R1.7 NC(=O)C1=COC=C1 BB32-3212 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.7 NC(=O)C1=NC=CN1 BB31-3274 [0,0,0,0,0,0|2,0,0]=2 9 B8R1.7 NC(=O)C1=NC=CO1 BB31-8539 [0,0,0,0,0,0|1,1,0]=2 10 B8R1.7 NC(=S)C1=CC=CO1 BB31-3461 [0,0,0,0,0,0|2,2,0]=4 11 B8R1.7 NC(=S)C1=COC=N1 BB31-4999 [0,0,0,0,0,0|3,1,0]=4 12 B8R1.7 NC(=S)C1=CSC=N1 BB32-3973 [0,0,0,0,0,0|3,1,0]=4 13 B8R1.7 O=C(O)C1=CC=NS1 BB54-5260 [0,0,0,0,0,0|3,0,0]=3 14 B8R1.7 O=C(O)C1=CN=CO1 BB52-2257 [0,0,0,0,0,0|3,1,0]=4 15 B8R1.7 O=C(O)C1=NON=C1 BB54-2722 [0,0,0,0,0,0|4,0,0]=4 16 B8R1.7 O=C([O-])C1=NC=CO1 BB31-1161 [0,0,0,0,0,0|1,1,0]=2 17 B8R1.7 O=[N+]([O-])C1=CC=CN1 BB31-4901 [0,0,0,0,0,0|3,0,1]=4 18 B8R1.7 OB(O)C1=NC=CN1 BB31-4011 [0,0,0,0,0,0|3,0,1]=4 19 B7R1.1 BrCC1=NC=CS1 BB17-3001 [1,0,0,0,0,0|1,0,1]=3 20 B7R1.1 NCC1=NC=CN1 BB31-5150 [1,0,0,0,0,0|2,0,1]=4 21 B7R1.1 NCC1=NC=CO1 BB31-4984 [1,0,0,0,0,0|1,1,1]=4 22 B7R1.1 NNC1=NC=CS1 BB52-5374 [1,0,0,0,0,0|2,0,0]=3 23 B7R1.1 O=CC1=CN=CO1 BB31-8199 [1,0,0,0,0,0|2,1,0]=4 24 B7R1.1 O=CC1=CSN=N1 BB31-4453 [1,0,0,0,0,0|3,0,0]=4 25 B7R1.1 O=CC1=NC=CO1 BB31-4873 [1,0,0,0,0,0|0,1,0]=2 26 B7R1.1 OCC1=NC=CO1 BB31-1661 [1,0,0,0,0,0|0,1,2]=4 27 B9R1.11 COC(=O)C1=CSN=N1 BB31-7806 [0,1,0,0,0,0|3,0,0]=4 28 B9R1.11 COC(=O)C1=NC=CO1 BB32-1812 [0,1,0,0,0,0|0,1,0]=2 29 B9R1.11 COC(=O)C1=NOC=C1 BB32-1155 [0,1,0,0,0,0|2,0,0]=3 30 B9R1.11 O=CC(=O)C1=CC=CO1 BB31-8251 [0,1,0,0,0,0|1,1,1]=4 31 B9R1.19 CC(C)(C)C1=CC=CS1 BB31-3382 [0,1,0,0,0,0|2,0,1]=4 32 B9R1.19 CS(=O)(=O)C1=NC=CN1 BB32-1738 [0,1,0,0,0,0|2,0,0]=3 33 B9R1.35 CC(=O)C1=CC(Br)=NO1 BB31-6992 [0,1,0,0,0,0|2,1,0]=4 34 B9R1.35 CC(=O)C1=CC=C(Br)O1 BB32-1375 [0,1,0,0,0,0|1,1,0]=3 35 B9R1.35 CC(=O)C1=CN=C(C)S1 BB32-2648 [0,1,0,0,0,0|2,0,0]=3 36 B9R1.35 CC(=O)C1=CNC(C)=C1 BB32-3505 [0,1,0,0,0,0|3,0,0]=4 37 B9R1.35 CC(=O)C1=CSC(Br)=C1 BB32-3092 [0,1,0,0,0,0|3,0,0]=4 38 B9R1.35 CC(=O)C1=NC(Br)=CS1 BB31-4111 [0,1,0,0,0,0|0,0,0]=1 39 B9R1.35 CC(C)C1=NN=C(N)S1 BB52-0938 [0,1,0,0,0,0|2,0,1]=4 40 B9R1.35 CC1=CNC(C(=O)O)=C1 BB31-4952 [0,1,0,0,0,0|2,0,1]=4 41 B9R1.35 CC1=NC(C(=O)O)=CO1 BB52-2189 [0,1,0,0,0,0|3,0,0]=4 42 B9R1.35 CC1=NC(C(=O)O)=NO1 BB31-5081 [0,1,0,0,0,0|3,0,0]=4 43 B9R1.35 CC1=NC(C(N)=O)=CS1 BB32-1502 [0,1,0,0,0,0|3,0,0]=4 44 B9R1.35 CS(=O)C1=NNC(N)=N1 BB52-7669 [0,1,0,0,0,0|3,0,0]=4 45 B9R1.35 FC(F)C1=NC=C(Br)S1 BB31-1912 [0,1,0,0,0,0|2,0,1]=4 46 B9R1.35 NC(=O)C1=CC=C(Cl)S1 BB31-7647 [0,1,0,0,0,0|2,0,0]=3 47 B9R1.35 NC(=O)C1=COC(Cl)=N1 BB31-0325 [0,1,0,0,0,0|3,0,0]=4 48 B9R1.35 NC(=O)C1=NC=C(Br)N1 BB31-3598 [0,1,0,0,0,0|2,0,0]=3 49 B9R1.35 O=C(O)C1=CC(Br)=CN1 BB52-8147 [0,1,0,0,0,0|2,0,1]=4 50 B9R1.35 O=C(O)C1=CC=C(F)S1 BB31-4908 [0,1,0,0,0,0|2,0,0]=3 51 B9R1.35 O=C(O)C1=COC(Br)=N1 BB31-0470 [0,1,0,0,0,0|3,0,0]=4 52 B9R1.35 O=C(O)C1=NC=C(Br)N1 BB31-1468 [0,1,0,0,0,0|2,0,0]=3 53 B9R1.35 O=[N+]([O-])C1=NC=C(Br)N1 BB31-2246 [0,1,0,0,0,0|3,0,0]=4 54 B9R1.35 O=[N+]([O-])C1=NN=C(Br)S1 BB32-0984 [0,1,0,0,0,0|3,0,0]=4 55 B9R1.41 CC(=O)C1=CNC=C1C BB31-4047 [0,1,0,0,0,0|3,0,0]=4 56 B9R1.41 CN1C=CN=C1C(=N)N BB32-3991 [0,1,0,0,0,0|3,0,0]=4 57 B9R1.41 CN1N=CN=C1C(=O)O BB32-3983 [0,1,0,0,0,0|3,0,0]=4 58 B9R1.41 NC(=O)C1=C(Br)C=CS1 BB31-6931 [0,1,0,0,0,0|2,0,0]=3 59 B9R1.41 NC(=O)C1=CC=CN1N BB31-3190 [0,1,0,0,0,0|2,0,1]=4 60 B9R1.41 O=C(O)C1=C(Br)C=CN1 BB31-2563 [0,1,0,0,0,0|2,0,1]=4 61 B7R1.18 O=C(O)C1=CCC1 BB32-1171 [0,0,0,0,1,0|2,0,1]=4 62 B9R1.6 C=C(C)C1=CC=CN=C1 BB32-0833 [0,0,0,0,0,1|2,0,0]=3 63 B9R1.6 CC(=O)C1=NC=NC=C1 BB32-1309 [0,0,0,0,0,1|1,0,0]=2 64 B9R1.6 CC(=O)C1=NN=CC=C1 BB31-8246 [0,0,0,0,0,1|1,0,0]=2 65 B9R1.6 CC(N)C1=NC=CC=N1 BB31-3285 [0,0,0,0,0,1|2,0,1]=4 66 B9R1.6 CN(C)C1=NC=NC=C1 BB32-2121 [0,0,0,0,0,1|3,0,0]=4 67 B9R1.6 C[C@@H](N)C1=NC=CC=C1 BB31-9751 [0,0,0,0,0,1|2,0,1]=4 68 B9R1.6 N=C(N)C1=NC=CC=N1 BB32-2375 [0,0,0,0,0,1|3,0,0]=4 69 B9R1.13 CC(=O)NC1=CC=NN1 BB52-7769 [0,0,0,0,0,1|2,0,1]=4 70 B9R1.13 CC(=O)NC1=NC=CN1 BB52-6106 [0,0,0,0,0,1|1,0,0]=2 71 B9R1.13 CC(N)CC1=NC=CS1 BB57-1486 [0,0,0,0,0,1|1,0,1]=3 72 B9R1.13 O=C(O)CC1=NC=CS1 BB31-4063 [0,0,0,0,0,1|1,0,0]=2 73 B9R1.13 O=C(O)CC1=NNC=C1 BB31-0343 [0,0,0,0,0,1|3,0,0]=4 74 B9R1.13 O=C(O)CN1C=CC=N1 BB52-7773 [0,0,0,0,0,1|3,0,0]=4 75 B6R1.2 BrC1=NC=CO1 BB31-1167 [2,0,0,0,0,0|1,1,0]=4 76 B6R1.2 ClC1=NC=CS1 BB52-6859 [2,0,0,0,0,0|1,0,0]=3 77 B6R1.2 IC1=NC=CS1 BB31-4591 [2,0,0,0,0,0|1,0,0]=3 78 B6R1.2 O=C1C=CCS1 BB32-1702 [2,0,0,0,0,0|1,0,1]=4 79 B8R1.1 C(=O)C1=CC=C(F)S1 BB05-4502 [1,1,0,0,0,0|1,0,0]=3 80 B8R1.1 CC1=CN=C(C#N)S1 BB31-0095 [1,1,0,0,0,0|1,0,1]=4 81 B8R1.1 CC1=CN=C(CCl)S1 BB57-1485 [1,1,0,0,0,0|1,0,1]=4 82 B8R1.1 CC1=NC(C=O)=CO1 BB52-2373 [1,1,0,0,0,0|2,0,0]=4 83 B8R1.1 CC1=NN=C(C=O)S1 BB32-3387 [1,1,0,0,0,0|1,0,0]=3 84 B8R1.1 CSC1=NN=C(C)S1 BB32-0832 [1,1,0,0,0,0|2,0,0]=4 85 B8R1.1 N#CC1=NC=C(Br)S1 BB31-1389 [1,1,0,0,0,0|1,0,1]=4 86 B8R1.1 NC1=NC(C=O)=CS1 BB31-7181 [1,1,0,0,0,0|2,0,0]=4 87 B8R1.1 NCC1=NC=C(Br)S1 BB31-2678 [1,1,0,0,0,0|1,0,1]=4 88 B8R1.1 O=CC1=CC(Cl)=CS1 BB32-3153 [1,1,0,0,0,0|1,0,0]=3 89 B8R1.1 O=CC1=CC=C(Br)N1 BB31-7304 [1,1,0,0,0,0|1,0,1]=4 90 B8R1.1 O=CC1=NC=C(Cl)S1 BB31-4728 [1,1,0,0,0,0|0,0,0]=2 91 B8R1.8 CCNC1=NC=CS1 BB31-9923 [1,1,0,0,0,0|0,0,1]=3 92 B8R1.8 N#CCC1=NC=CS1 BB31-0162 [1,1,0,0,0,0|0,0,2]=4 93 B8R1.8 N#CNC1=NC=CS1 BB52-6243 [1,1,0,0,0,0|1,0,1]=4 94 B8R1.8 NCCC1=NC=CS1 BB52-6118 [1,1,0,0,0,0|0,0,1]=3 95 B8R1.8 S=C=NC1=NC=CS1 BB52-6789 [1,1,0,0,0,0|0,1,1]=4 96 B8R1.11 CN1C=CN=C1C=O BB52-0221 [1,1,0,0,0,0|1,0,0]=3 97 B8R1.11 O=CC1=C(Br)NC=N1 BB32-2656 [1,1,0,0,0,0|2,0,0]=4 98 B8R1.11 O=CC1=NNC=C1Cl BB32-3176 [1,1,0,0,0,0|2,0,0]=4 99 B10R1.13 CC(=O)C1=CN=C(C)N=C1 BB31-2353 [0,1,0,0,0,1|2,0,0]=4 100 B10R1.13 CC(=O)C1=CN=C(N)C=C1 BB31-3878 [0,1,0,0,0,1|1,0,0]=3 101 B10R1.13 CC(=O)C1=NC=C(O)C=C1 BB32-3774 [0,1,0,0,0,1|1,0,0]=3 102 B10R1.13 CC(=O)C1=NN=C(Cl)C=C1 BB31-5080 [0,1,0,0,0,1|1,0,0]=3 103 B10R1.13 NC(=O)C1=CN=C(Br)C=N1 BB32-1869 [0,1,0,0,0,1|2,0,0]=4 104 B10R1.13 NC(=O)C1=CNC(=O)C=N1 BB32-0472 [0,1,0,0,0,1|2,0,0]=4 105 B10R1.13 NC(=O)C1=NC=C(N)C=C1 BB31-2838 [0,1,0,0,0,1|2,0,0]=4 106 B10R1.13 NC(=O)C1=NC=C(N)C=N1 BB31-5985 [0,1,0,0,0,1|2,0,0]=4 107 B10R1.13 NC(=O)C1=NC=C(N)N=C1 BB31-6353 [0,1,0,0,0,1|2,0,0]=4 108 B10R1.13 NC1=CN=C(C(=O)O)N=C1 BB32-3215 [0,1,0,0,0,1|2,0,0]=4 109 B10R1.15 CCC(=O)C1=NC=CN=C1 BB32-2771 [0,1,0,0,0,1|1,0,0]=3 110 B10R1.15 COC(=O)C1=CN=NC=C1 BB31-6242 [0,1,0,0,0,1|2,0,0]=4 111 B10R1.61 CC(=O)C1=C(Br)C=NC=C1 BB31-7884 [0,1,0,0,0,1|2,0,0]=4 112 B10R1.61 CC(=O)C1=C(Br)C=NC=N1 BB31-1060 [0,1,0,0,0,1|1,0,0]=3 113 B10R1.61 CC(=O)C1=C(O)C=NC=C1 BB32-1019 [0,1,0,0,0,1|2,0,0]=4 114 B10R1.61 CC(=O)C1=CC=CN=C1Br BB31-6615 [0,1,0,0,0,1|1,0,0]=3 115 B10R1.61 NC(=O)C1=CC=CN=C1S BB32-2901 [0,1,0,0,0,1|2,0,0]=4 116 B10R1.61 O=C(O)C1=C(Cl)C=NC=N1 BB32-3365 [0,1,0,0,0,1|2,0,0]=4 117 B10R1.113 CC(=O)C1=CC(Br)=NC=C1 BB31-8594 [0,1,0,0,0,1|2,0,0]=4 118 B10R1.113 CC(=O)C1=CC(F)=NC=C1 BB31-8727 [0,1,0,0,0,1|2,0,0]=4 119 B10R1.113 CC(=O)C1=CC=CC(Cl)=N1 BB32-0630 [0,1,0,0,0,1|1,0,0]=3 120 B10R1.113 CC(=O)C1=CC=CC(F)=N1 BB31-7596 [0,1,0,0,0,1|1,0,0]=3 121 B10R1.113 CC(=O)C1=CC=NC(Cl)=N1 BB31-1715 [0,1,0,0,0,1|1,0,0]=3 122 B10R1.113 CC(=O)C1=NC(=N)NC=C1 BB31-8729 [0,1,0,0,0,1|1,0,0]=3 123 B10R1.113 CC(=O)C1=NC(N)=CC=C1 BB31-9363 [0,1,0,0,0,1|1,0,0]=3 124 B10R1.113 CC(=O)C1=NC=CC(Br)=C1 BB31-8955 [0,1,0,0,0,1|1,0,0]=3 125 B10R1.113 NC(=O)C1=CN=CC(Cl)=N1 BB32-1579 [0,1,0,0,0,1|2,0,0]=4 126 B10R1.113 NC(=O)C1=CN=CC(O)=C1 BB31-0206 [0,1,0,0,0,1|2,0,0]=4 127 B10R1.113 O=C(O)C1=CC(I)=CN=C1 BB32-0482 [0,1,0,0,0,1|2,0,0]=4 128 B10R1.113 O=C(O)C1=NC=CC(F)=C1 BB31-5136 [0,1,0,0,0,1|2,0,0]=4 129 B10R1.27 COC(=O)CN1C=CC=N1 BB31-6200 [0,1,0,0,0,1|2,0,0]=4 130 B10R1.54 CC(=O)NC1=CC=C(Br)S1 BB31-7020 [0,1,0,0,0,1|1,0,0]=3 131 B10R1.54 NC1=NN=C(CC(=O)O)S1 BB54-4124 [0,1,0,0,0,1|2,0,0]=4 132 B10R1.54 O=C(O)CC1=CC=C(Br)S1 BB32-3837 [0,1,0,0,0,1|2,0,0]=4 133 B10R1.11 CCOC(=O)C1=NN=CS1 BB31-9839 [0,2,0,0,0,0|1,0,0]=3 134 B10R1.11 O=C(CCCl)C1=CC=CS1 BB32-1718 [0,2,0,0,0,0|1,0,0]=3 135 B10R1.14 CNC(=O)C1=CSC(Br)=N1 BB31-7876 [0,2,0,0,0,0|2,0,0]=4 136 B10R1.14 CNC(=O)C1=NNC(C)=C1 BB32-1604 [0,2,0,0,0,0|2,0,0]=4 137 B10R1.14 COC(=O)C1=CC(C)=CN1 BB32-1368 [0,2,0,0,0,0|1,0,1]=4 138 B10R1.14 COC(=O)C1=CC(Cl)=CN1 BB31-0808 [0,2,0,0,0,0|1,0,1]=4 139 B10R1.14 COC(=O)C1=CC=C(Cl)O1 BB31-6232 [0,2,0,0,0,0|1,1,0]=4 140 B10R1.14 COC(=O)C1=CNC(C)=N1 BB31-7210 [0,2,0,0,0,0|2,0,0]=4 141 B10R1.14 COC(=O)C1=NC=C(C)O1 BB31-1107 [0,2,0,0,0,0|0,1,0]=3 142 B10R1.14 COC(=O)C1=NNC(Cl)=C1 BB31-3533 [0,2,0,0,0,0|2,0,0]=4 143 B10R1.14 COC(=O)C1=NNC(I)=C1 BB32-0554 [0,2,0,0,0,0|2,0,0]=4 144 B10R1.149 CN1C=CC=C1C(=O)CCl BB31-4260 [0,2,0,0,0,0|1,0,1]=4 145 B10R1.149 COC(=O)C1=C(N)NC=N1 BB32-2589 [0,2,0,0,0,0|2,0,0]=4 146 B10R1.149 COC(=O)C1=NNC=C1N BB05-5018 [0,2,0,0,0,0|2,0,0]=4 147 B10R1.31 CC(C)C1=NC=C(C=O)S1 BB32-1745 [0,2,0,0,0,0|1,0,1]=4 148 B10R1.31 CN(C)C1=NC(CN)=CS1 BB52-6182 [0,2,0,0,0,0|2,0,0]=4 149 B10R1.31 COC1=CC=C(C(=O)O)S1 BB31-4536 [0,2,0,0,0,0|2,0,0]=4 150 B10R1.31 CSC1=CC=C(C(=O)O)S1 BB31-4118 [0,2,0,0,0,0|2,0,0]=4 151 B10R1.31 N#CC1=CC=C(C(=O)O)S1 BB01-5623 [0,2,0,0,0,0|2,0,0]=4 152 B10R1.31 N#CC1=CSC(C(=O)O)=C1 BB31-4756 [0,2,0,0,0,0|2,0,0]=4 153 B10R1.31 O=C(O)C1=CC(CO)=CS1 BB31-7624 [0,2,0,0,0,0|2,0,0]=4 154 B10R1.31 O=CC1=CC=C(C(=O)O)S1 BB51-1200 [0,2,0,0,0,0|2,0,0]=4 155 B10R1.58 CC(=O)C1=CC(C)=C(Br)S1 BB31-6726 [0,2,0,0,0,0|1,0,0]=3 156 B10R1.58 CC(=O)C1=CC(Cl)=C(Br)S1 BB31-0954 [0,2,0,0,0,0|1,0,0]=3 157 B10R1.58 CC1=C(C)SC(C(=O)O)=N1 BB31-8647 [0,2,0,0,0,0|1,0,0]=3 158 B10R1.194 CC1=CSC(C(=O)O)=C1C BB31-6323 [0,2,0,0,0,0|2,0,0]=4 159 B10R1.194 NC(=O)C1=C(N)C(Br)=CS1 BB31-2103 [0,2,0,0,0,0|2,0,0]=4 160 B8R1.5 SC1=C(Br)C=CC=N1 BB32-3764 [0,0,1,1,0,0|1,0,1]=4 161 B10R2.14 BrC1=CSC(C2CC2)=N1 BB31-9170 [0,1,0,1,0,0|1,0,1]=4 162 B8R1.2 COC1=NC=CC=N1 BB31-5696 [1,0,0,0,0,1|2,0,0]=4 163 B8R1.2 O=CC1=NC=CC=N1 BB31-5137 [1,0,0,0,0,1|1,0,0]=3 164 B8R1.2 O=CC1=NC=NC=C1 BB31-4750 [1,0,0,0,0,1|1,0,0]=3 165 B8R1.2 O=CC1=NN=CC=C1 BB52-3335 [1,0,0,0,0,1|1,0,0]=3 166 B10R1.18 CC(=O)CC1=CN=CC=C1 BB32-2986 [0,0,0,0,0,2|1,0,0]=3 167 B10R1.18 O=C(O)CC1=NC=CN=C1 BB31-2541 [0,0,0,0,0,2|2,0,0]=4 168 B10R1.66 CC(=O)CCN1C=CC=N1 BB52-8699 [0,0,0,0,0,2|2,0,0]=4 169 B10R1.66 O=C(O)CCC1=NC=CN1 BB31-3671 [0,0,0,0,0,2|2,0,0]=4 170 B10R1.66 O=C(O)CCC1=NC=CS1 BB31-2782 [0,0,0,0,0,2|1,0,0]=3