0 B4R0.1 C#CC(=O)O Z104493798 [0,0,0,0,0,0|2,0,2]=4 1 B4R0.1 C#CC(C)O Z1251193370 [0,0,0,0,0,0|1,0,1]=2 2 B4R0.1 C=CC(=C)C Z104474660 [0,0,0,0,0,0|2,0,1]=3 3 B4R0.1 C=CC(=O)O Z57127944 [0,0,0,0,0,0|2,0,1]=3 4 B4R0.1 C=CC(C)N Z1446855743 [0,0,0,0,0,0|2,0,0]=2 5 B4R0.1 CC(=O)C=O Z104495190 [0,0,0,0,0,0|0,0,2]=2 6 B4R0.1 CC(=O)CN Z1262398366 [0,0,0,0,0,0|1,0,3]=4 7 B4R0.1 CC(=O)NN Z58981787 [0,0,0,0,0,0|2,0,2]=4 8 B4R0.1 CC(=O)NO Z59181917 [0,0,0,0,0,0|1,0,3]=4 9 B4R0.1 CC(C)NO Z1198161074 [0,0,0,0,0,0|2,0,1]=3 10 B4R0.1 CC(F)CN Z2941405027 [0,0,0,0,0,0|2,0,1]=3 11 B4R0.1 CC(N)CF Z2096088772 [0,0,0,0,0,0|2,0,1]=3 12 B4R0.1 CC(N)CN Z104474490 [0,0,0,0,0,0|2,0,1]=3 13 B4R0.1 CC(O)CN Z104477092 [0,0,0,0,0,0|1,0,1]=2 14 B4R0.1 CC(O)CO Z106938868 [0,0,0,0,0,0|0,0,2]=2 15 B4R0.1 CCC(=O)O Z104474154 [0,0,0,0,0,0|2,0,2]=4 16 B4R0.1 CCC(C)N Z104472234 [0,0,0,0,0,0|2,0,1]=3 17 B4R0.1 CC[C@@H](C)O Z1203162396 [0,0,0,0,0,0|1,0,1]=2 18 B4R0.1 CN(C)C#N Z1255394988 [0,0,0,0,0,0|3,0,1]=4 19 B4R0.1 CN(C)N=O Z1255485177 [0,0,0,0,0,0|3,0,0]=3 20 B4R0.1 CNC(=N)C Z2146515751 [0,0,0,0,0,0|3,0,1]=4 21 B4R0.1 CNC(=O)C Z32016274 [0,0,0,0,0,0|2,0,2]=4 22 B4R0.1 C[C@@H](N)CN Z3234812272 [0,0,0,0,0,0|2,0,1]=3 23 B4R0.1 C[C@@H](N)CO Z346076140 [0,0,0,0,0,0|1,0,2]=3 24 B4R0.1 C[C@@H](O)CO Z1255486379 [0,0,0,0,0,0|0,0,2]=2 25 B4R0.1 C[C@H](N)CN Z1741977335 [0,0,0,0,0,0|2,0,1]=3 26 B4R0.1 C[C@H](O)CN Z1203577967 [0,0,0,0,0,0|1,0,1]=2 27 B4R0.1 C[C@H](O)CO Z1255449993 [0,0,0,0,0,0|0,0,2]=2 28 B4R0.1 ClC=C(Cl)Cl Z104473870 [0,0,0,0,0,0|3,0,1]=4 29 B4R0.1 NCC(=O)O Z955123660 [0,0,0,0,0,0|2,0,2]=4 30 B4R0.1 NCC(F)F Z1295543893 [0,0,0,0,0,0|3,0,1]=4 31 B4R0.1 O=C(O)CBr Z104473018 [0,0,0,0,0,0|2,0,2]=4 32 B4R0.1 O=C(O)CO Z104473274 [0,0,0,0,0,0|1,0,3]=4 33 B4R0.1 OCC(F)F Z397587054 [0,0,0,0,0,0|2,0,2]=4 34 B3R0.1 C=CCO Z104473976 [1,0,0,0,0,0|1,0,0]=2 35 B3R0.1 I/C=C/I Z2417817184 [1,0,0,0,0,0|2,0,1]=4 36 B3R0.1 N#CCN Z1210869368 [1,0,0,0,0,0|2,0,1]=4 37 B3R0.1 N/C=N/O Z156964716 [1,0,0,0,0,0|2,0,0]=3 38 B3R0.1 NCCF Z1966571823 [1,0,0,0,0,0|2,0,1]=4 39 B3R0.1 NCCN Z104473714 [1,0,0,0,0,0|2,0,1]=4 40 B3R0.1 NCCO Z104473700 [1,0,0,0,0,0|1,0,1]=3 41 B3R0.1 NCCS Z104474494 [1,0,0,0,0,0|1,1,1]=4 42 B3R0.1 OCCS Z104473584 [1,0,0,0,0,0|0,1,1]=3 43 B3R0.2 CC(=O)N Z33546370 [1,0,0,0,0,0|1,0,1]=3 44 B3R0.2 CC(=O)O Z1954803614 [1,0,0,0,0,0|0,0,1]=2 45 B3R0.2 CC(=O)[S-] Z1142554016 [1,0,0,0,0,0|0,1,1]=3 46 B3R0.2 NC(=O)N Z104473900 [1,0,0,0,0,0|2,0,1]=4 47 B5R0.1 C#CCC(C)N Z3490223481 [0,1,0,0,0,0|2,0,1]=4 48 B5R0.1 C#CCC(C)O Z969111576 [0,1,0,0,0,0|1,0,1]=3 49 B5R0.1 C/C(=C\C#N)/[O-] Z90662985 [0,1,0,0,0,0|1,0,2]=4 50 B5R0.1 C/C=C/C(=O)O Z104476026 [0,1,0,0,0,0|2,0,1]=4 51 B5R0.1 C=CCC(C)N Z1269638561 [0,1,0,0,0,0|2,0,0]=3 52 B5R0.1 CC(=CC#N)C Z851014248 [0,1,0,0,0,0|2,0,1]=4 53 B5R0.1 CC(=CCN)C Z1827897919 [0,1,0,0,0,0|2,0,1]=4 54 B5R0.1 CC(C)CC#N Z104473272 [0,1,0,0,0,0|2,0,1]=4 55 B5R0.1 CC(C)CCO Z104473558 [0,1,0,0,0,0|1,0,2]=4 56 B5R0.1 CC(C)N=C=S Z56964589 [0,1,0,0,0,0|1,1,1]=4 57 B5R0.1 CC(C)NC=O Z1201617634 [0,1,0,0,0,0|1,0,0]=2 58 B5R0.1 CC(N)CC#N Z1267773800 [0,1,0,0,0,0|2,0,1]=4 59 B5R0.1 CC(N)CCO Z385458430 [0,1,0,0,0,0|1,0,2]=4 60 B5R0.1 CC(O)CC#N Z847151284 [0,1,0,0,0,0|1,0,1]=3 61 B5R0.1 CC(O)CCN Z802904114 [0,1,0,0,0,0|1,0,1]=3 62 B5R0.1 CC(O)CCO Z104473530 [0,1,0,0,0,0|0,0,2]=3 63 B5R0.1 CCCC(C)N Z2417819590 [0,1,0,0,0,0|2,0,1]=4 64 B5R0.1 CNCC(C)C Z951367674 [0,1,0,0,0,0|2,0,1]=4 65 B5R0.1 CNCC(C)N Z1413780485 [0,1,0,0,0,0|2,0,1]=4 66 B5R0.1 CNCC(C)O Z138692700 [0,1,0,0,0,0|1,0,1]=3 67 B5R0.1 COCC(C)O Z825742124 [0,1,0,0,0,0|0,0,2]=3 68 B5R0.1 COC[C@@H](C)N Z1270482298 [0,1,0,0,0,0|1,0,2]=4 69 B5R0.1 COC[C@H](C)N Z1270502316 [0,1,0,0,0,0|1,0,2]=4 70 B5R0.1 CSCC(C)O Z732208306 [0,1,0,0,0,0|0,1,1]=3 71 B5R0.1 C[C@@H](N)CCO Z1526453858 [0,1,0,0,0,0|1,0,2]=4 72 B5R0.1 C[C@@H](O)CCN Z1860991703 [0,1,0,0,0,0|1,0,1]=3 73 B5R0.1 N=C(N)NC=O Z1203578554 [0,1,0,0,0,0|2,0,1]=4 74 B5R0.1 O=C(O)/C=C/I Z2327124440 [0,1,0,0,0,0|2,0,1]=4 75 B5R0.3 C#CC(N)CO Z2235790715 [0,1,0,0,0,0|2,0,1]=4 76 B5R0.3 C=CC(N)CO Z2146514374 [0,1,0,0,0,0|2,0,0]=3 77 B5R0.3 CC(C#N)C#N Z844634884 [0,1,0,0,0,0|2,0,1]=4 78 B5R0.3 CC(C#N)CO Z406338220 [0,1,0,0,0,0|1,0,1]=3 79 B5R0.3 CC(CN)CN Z951173758 [0,1,0,0,0,0|2,0,1]=4 80 B5R0.3 CC(CN)CO Z406342068 [0,1,0,0,0,0|1,0,1]=3 81 B5R0.3 CC(CO)CS Z1262475362 [0,1,0,0,0,0|0,1,1]=3 82 B5R0.3 CCC(C)CN Z2350903977 [0,1,0,0,0,0|2,0,1]=4 83 B5R0.3 CCC(C)NC Z594038230 [0,1,0,0,0,0|2,0,1]=4 84 B5R0.3 CCC(N)C#N Z445129502 [0,1,0,0,0,0|2,0,1]=4 85 B5R0.3 CCC(N)CN Z1263714131 [0,1,0,0,0,0|2,0,1]=4 86 B5R0.3 CCC(N)CO Z104474862 [0,1,0,0,0,0|1,0,2]=4 87 B5R0.3 CCC(O)C#N Z419078094 [0,1,0,0,0,0|1,0,1]=3 88 B5R0.3 CCC(O)CN Z419084746 [0,1,0,0,0,0|1,0,1]=3 89 B5R0.3 CCC(O)CO Z600450538 [0,1,0,0,0,0|0,0,2]=3 90 B5R0.3 CCN(C)C=O Z1258520870 [0,1,0,0,0,0|2,0,0]=3 91 B5R0.3 CCN(C)N=O Z1198147516 [0,1,0,0,0,0|3,0,0]=4 92 B5R0.3 CC[C@@H](N)C#N Z1203638467 [0,1,0,0,0,0|2,0,1]=4 93 B5R0.3 CC[C@@H](N)CO Z1203162359 [0,1,0,0,0,0|1,0,2]=4 94 B5R0.3 CC[C@H](N)CO Z1203162358 [0,1,0,0,0,0|1,0,2]=4 95 B5R0.3 CNC(C)CN Z941154208 [0,1,0,0,0,0|2,0,1]=4 96 B5R0.3 COC(C)CN Z1795817756 [0,1,0,0,0,0|1,0,1]=3 97 B5R0.3 COC(C)CO Z1198150719 [0,1,0,0,0,0|0,0,2]=3 98 B5R0.3 CSC(C)CN Z844632970 [0,1,0,0,0,0|1,1,1]=4 99 B5R0.3 CSC(C)CO Z1273053291 [0,1,0,0,0,0|2,0,0]=3 100 B5R0.3 N#CC(N)CO Z2301438409 [0,1,0,0,0,0|2,0,1]=4 101 B5R0.3 NC(CO)CO Z1203577940 [0,1,0,0,0,0|1,0,2]=4 102 B5R0.3 NCC(F)CN Z2733320873 [0,1,0,0,0,0|2,0,1]=4 103 B5R0.3 NCC(N)CN Z1203578196 [0,1,0,0,0,0|2,0,1]=4 104 B5R0.3 NCC(O)CF Z2311274712 [0,1,0,0,0,0|1,0,1]=3 105 B5R0.3 OC/C(=C/I)/I Z4691071538 [0,1,0,0,0,0|2,0,1]=4 106 B5R0.3 OCC(O)CO Z104473548 [0,1,0,0,0,0|0,0,2]=3 107 B5R0.3 OCC(O)CS Z1255382958 [0,1,0,0,0,0|0,0,2]=3 108 B5R0.4 C#CC(C)(C)O Z1245735173 [0,1,0,0,0,0|1,0,1]=3 109 B5R0.4 C=CC(C)(C)N Z2940715337 [0,1,0,0,0,0|2,0,0]=3 110 B5R0.4 C=CS(=O)(=O)C Z608051272 [0,1,0,0,0,0|2,0,1]=4 111 B5R0.4 CC(C)(C)C#N Z278179882 [0,1,0,0,0,0|2,0,1]=4 112 B5R0.4 CC(C)(C)CN Z291234094 [0,1,0,0,0,0|2,0,1]=4 113 B5R0.4 CC(C)(C)CO Z397587176 [0,1,0,0,0,0|1,0,2]=4 114 B5R0.4 CC(C)(F)C#N Z1198369138 [0,1,0,0,0,0|2,0,1]=4 115 B5R0.4 CC(C)(N)C#N Z57176535 [0,1,0,0,0,0|2,0,1]=4 116 B5R0.4 CC(C)(N)CN Z1266854946 [0,1,0,0,0,0|2,0,1]=4 117 B5R0.4 CC(C)(O)C#N Z104473082 [0,1,0,0,0,0|1,0,1]=3 118 B5R0.4 CC(C)(O)CO Z600454414 [0,1,0,0,0,0|0,0,2]=3 119 B5R0.4 CC(F)(F)CN Z1201623622 [0,1,0,0,0,0|2,0,1]=4 120 B5R0.4 CCC(C)(C)N Z104480062 [0,1,0,0,0,0|2,0,1]=4 121 B5R0.4 CCC(C)(C)O Z104473496 [0,1,0,0,0,0|1,0,1]=3 122 B5R0.5 C=C(Cl)C(=O)O Z1201617183 [0,1,0,0,0,0|1,0,2]=4 123 B5R0.5 CC(=C(Cl)Cl)Cl Z1198148250 [0,1,0,0,0,0|2,0,1]=4 124 B5R0.5 CC(=N)N(C)C Z1428159819 [0,1,0,0,0,0|3,0,0]=4 125 B5R0.5 CC(=O)C(=O)O Z104495240 [0,1,0,0,0,0|0,0,2]=3 126 B5R0.5 CC(=O)C(C)N Z1263529525 [0,1,0,0,0,0|1,0,0]=2 127 B5R0.5 CC(Br)C(=O)O Z57127555 [0,1,0,0,0,0|1,0,0]=2 128 B5R0.5 CC(C)C(=N)N Z381357616 [0,1,0,0,0,0|2,0,0]=3 129 B5R0.5 CC(C)C(=O)N Z57046209 [0,1,0,0,0,0|1,0,0]=2 130 B5R0.5 CC(C)C(=O)O Z104473380 [0,1,0,0,0,0|1,0,0]=2 131 B5R0.5 CC(C)[N+](=O)[O-] Z104474978 [0,1,0,0,0,0|2,0,0]=3 132 B5R0.5 CC(Cl)C(=O)N Z56924427 [0,1,0,0,0,0|1,0,0]=2 133 B5R0.5 CC(Cl)C(=O)O Z147646840 [0,1,0,0,0,0|1,0,0]=2 134 B5R0.5 CC(N)C(=O)N Z54749436 [0,1,0,0,0,0|1,0,0]=2 135 B5R0.5 CC(N)C(=O)O Z57396987 [0,1,0,0,0,0|1,0,0]=2 136 B5R0.5 CC(N)C(C)N Z2335631664 [0,1,0,0,0,0|2,0,1]=4 137 B5R0.5 CC(O)C(=N)N Z2216711526 [0,1,0,0,0,0|1,0,0]=2 138 B5R0.5 CC(O)C(=O)N Z57206008 [0,1,0,0,0,0|0,0,0]=1 139 B5R0.5 CC(O)C(C)O Z104473532 [0,1,0,0,0,0|0,0,2]=3 140 B5R0.5 CC(S)C(=O)O Z104477082 [0,1,0,0,0,0|0,1,0]=2 141 B5R0.5 CN(C)C(=N)N Z1839480548 [0,1,0,0,0,0|3,0,0]=4 142 B5R0.5 CN(C)C(=S)N Z56347524 [0,1,0,0,0,0|2,1,0]=4 143 B5R0.5 C[C@@H](N)C(=O)O Z802692914 [0,1,0,0,0,0|1,0,0]=2 144 B5R0.5 C[C@H](N)C(=O)N Z359371050 [0,1,0,0,0,0|1,0,0]=2 145 B5R0.5 C[C@H](N)C(=O)O Z756424912 [0,1,0,0,0,0|1,0,0]=2 146 B5R0.5 NC(=O)C(F)F Z33546481 [0,1,0,0,0,0|2,0,0]=3 147 B5R0.5 O=C(O)C(=O)O Z1741978903 [0,1,0,0,0,0|1,0,1]=3 148 B5R0.5 O=C(O)C(Cl)Cl Z104476414 [0,1,0,0,0,0|2,0,0]=3 149 B5R0.5 O=C(O)C(F)F Z104474070 [0,1,0,0,0,0|2,0,0]=3 150 B5R1.2 NC1CCC1 Z1266823158 [0,0,0,1,0,0|2,0,1]=4 151 B5R1.2 NC1COC1 Z317054188 [0,0,0,1,0,0|1,0,2]=4 152 B5R1.2 OC1CNC1 Z1012638850 [0,0,0,1,0,0|1,0,1]=3 153 B5R1.2 OC1COC1 Z1123686553 [0,0,0,1,0,0|0,0,2]=3 154 B5R1.3 CNC1CC1 Z138412880 [0,0,0,1,0,0|3,0,0]=4 155 B5R1.3 ClCC1CO1 Z104473190 [0,0,0,1,0,0|1,0,1]=3 156 B5R1.3 N#CC1CC1 Z247612572 [0,0,0,1,0,0|2,0,1]=4 157 B5R1.3 OCC1CC1 Z104479000 [0,0,0,1,0,0|1,0,2]=4 158 B5R1.3 OCC1CO1 Z104476180 [0,0,0,1,0,0|0,0,2]=3 159 B5R1.3 OC[C@@H]1CO1 Z1222330631 [0,0,0,1,0,0|0,0,2]=3 160 B5R1.3 OC[C@H]1CO1 Z1222330633 [0,0,0,1,0,0|0,0,2]=3 161 B5R1.4 CC1CC1N Z406520774 [0,0,0,1,0,0|2,0,1]=4 162 B5R1.4 C[C@@H]1C[C@H]1N Z993905302 [0,0,0,1,0,0|2,0,1]=4 163 B2R0.1 CNC Z57834054 [2,0,0,0,0,0|1,0,1]=4 164 B4R0.2 C#CCCN Z1267881669 [1,1,0,0,0,0|1,0,1]=4 165 B4R0.2 CCCC#N Z238878246 [1,1,0,0,0,0|1,0,1]=4 166 B4R0.2 CCCCN Z104474314 [1,1,0,0,0,0|1,0,1]=4 167 B4R0.2 CCCCO Z104473488 [1,1,0,0,0,0|0,0,2]=4 168 B4R0.2 CCCNN Z415728048 [1,1,0,0,0,0|1,0,1]=4 169 B4R0.2 CNCC#N Z1262250834 [1,1,0,0,0,0|1,0,1]=4 170 B4R0.2 COCC#N Z86023357 [1,1,0,0,0,0|1,0,1]=4 171 B4R0.2 COCCO Z104473522 [1,1,0,0,0,0|0,0,2]=4 172 B4R0.2 CSCCO Z149154880 [1,1,0,0,0,0|0,0,2]=4 173 B4R0.2 N#CCCN Z1895741700 [1,1,0,0,0,0|1,0,1]=4 174 B4R0.2 NC/C=C/Cl Z2941400887 [1,1,0,0,0,0|1,0,1]=4 175 B4R0.2 NCCCN Z104478068 [1,1,0,0,0,0|1,0,1]=4 176 B4R0.2 NCCCO Z56771034 [1,1,0,0,0,0|0,0,2]=4 177 B4R0.3 CC(C)(C)Cl Z281778956 [1,1,0,0,0,0|1,0,1]=4 178 B4R0.3 CS(=O)(=O)C Z417007936 [1,1,0,0,0,0|1,0,1]=4 179 B4R0.3 CS(=O)(=O)F Z361886230 [1,1,0,0,0,0|1,0,1]=4 180 B4R0.3 CS(=O)(=O)N Z54080282 [1,1,0,0,0,0|1,0,1]=4 181 B4R0.3 CS(=O)(=O)O Z281776238 [1,1,0,0,0,0|1,0,0]=3 182 B4R0.3 O=P(O)(O)F Z1255360409 [1,1,0,0,0,0|2,0,0]=4 183 B6R0.1 C#CCC(O)CN Z2491498074 [0,2,0,0,0,0|1,0,1]=4 184 B6R0.1 C=CCC(N)CC Z1981870426 [0,2,0,0,0,0|2,0,0]=4 185 B6R0.1 C=CCC(N)CO Z1815149150 [0,2,0,0,0,0|2,0,0]=4 186 B6R0.1 C=CCC(O)CC Z808662120 [0,2,0,0,0,0|1,0,0]=3 187 B6R0.1 CC(CN)CCO Z1203581915 [0,2,0,0,0,0|1,0,1]=4 188 B6R0.1 CC(CO)CCN Z5410631465 [0,2,0,0,0,0|1,0,1]=4 189 B6R0.1 CCC(O)CCN Z406342052 [0,2,0,0,0,0|1,0,1]=4 190 B6R0.1 CCC(O)CCO Z1198157972 [0,2,0,0,0,0|0,0,2]=4 191 B6R0.1 CCCC(O)CN Z419084742 [0,2,0,0,0,0|1,0,1]=4 192 B6R0.1 CCOC(C)CN Z844631802 [0,2,0,0,0,0|1,0,1]=4 193 B6R0.1 CNC(C)CCO Z1198266877 [0,2,0,0,0,0|2,0,0]=4 194 B6R0.1 CNC(C)COC Z815264298 [0,2,0,0,0,0|2,0,0]=4 195 B6R0.1 CNCC(C)OC Z2065788390 [0,2,0,0,0,0|1,0,1]=4 196 B6R0.1 CNC[C@H](O)CO Z600533638 [0,2,0,0,0,0|0,0,2]=4 197 B6R0.1 COC(C)CC#N Z847151020 [0,2,0,0,0,0|1,0,1]=4 198 B6R0.1 COC(C)CCN Z802903932 [0,2,0,0,0,0|1,0,1]=4 199 B6R0.1 COCC(C)CO Z1192375999 [0,2,0,0,0,0|0,0,2]=4 200 B6R0.1 COCC(O)CN Z271097108 [0,2,0,0,0,0|0,0,2]=4 201 B6R0.1 CSC(C)CCO Z1262258908 [0,2,0,0,0,0|2,0,0]=4 202 B6R0.1 CSCC(C)CO Z1270310211 [0,2,0,0,0,0|0,1,1]=4 203 B6R0.1 CSCC(O)CO Z1126770422 [0,2,0,0,0,0|0,0,2]=4 204 B6R0.2 C/C(=C/C(=O)O)/I Z1508917269 [0,2,0,0,0,0|1,0,1]=4 205 B6R0.2 C=C(C)CC(=O)O Z295890066 [0,2,0,0,0,0|1,0,1]=4 206 B6R0.2 CC(=CC(=O)N)C Z33546934 [0,2,0,0,0,0|1,0,1]=4 207 B6R0.2 CC(=CC(=O)O)C Z104480144 [0,2,0,0,0,0|1,0,1]=4 208 B6R0.2 CC(=O)/C=C(/C)\N Z56858245 [0,2,0,0,0,0|1,0,1]=4 209 B6R0.2 CC(=O)CC(C)N Z57329385 [0,2,0,0,0,0|1,0,0]=3 210 B6R0.2 CC(=O)NC(=O)N Z104476284 [0,2,0,0,0,0|0,0,2]=4 211 B6R0.2 CC(C)CC(=N)N Z1346385639 [0,2,0,0,0,0|2,0,0]=4 212 B6R0.2 CC(C)CC(=O)N Z33546511 [0,2,0,0,0,0|1,0,0]=3 213 B6R0.2 CC(C)CC(=O)O Z104474910 [0,2,0,0,0,0|1,0,0]=3 214 B6R0.2 CC(C)NC(=N)N Z1650168329 [0,2,0,0,0,0|2,0,0]=4 215 B6R0.2 CC(C)NC(=O)N Z56887677 [0,2,0,0,0,0|1,0,0]=3 216 B6R0.2 CC(C)NC(=S)N Z56979374 [0,2,0,0,0,0|1,1,0]=4 217 B6R0.2 CC(N)CC(=O)N Z594220690 [0,2,0,0,0,0|1,0,0]=3 218 B6R0.2 CC(N)CC(=O)O Z147647144 [0,2,0,0,0,0|1,0,0]=3 219 B6R0.2 CC(N)CS(=O)C Z1238793449 [0,2,0,0,0,0|1,0,1]=4 220 B6R0.2 CN(C)CC(=O)N Z54750057 [0,2,0,0,0,0|2,0,0]=4 221 B6R0.2 CN(C)CC(=O)O Z235580496 [0,2,0,0,0,0|2,0,0]=4 222 B6R0.2 CS(=O)CC(=O)N Z1203581973 [0,2,0,0,0,0|1,0,1]=4 223 B6R0.2 C[C@H](N)CC(=O)O Z1741969208 [0,2,0,0,0,0|1,0,0]=3 224 B6R0.2 NC(=O)CC(=O)O Z963467736 [0,2,0,0,0,0|1,0,1]=4 225 B6R0.2 O=C(O)CC(=O)O Z57965450 [0,2,0,0,0,0|1,0,1]=4 226 B6R0.3 C#CC(=O)N(C)C Z1509741471 [0,2,0,0,0,0|2,0,0]=4 227 B6R0.3 C=CC(N)C(=O)O Z3244810526 [0,2,0,0,0,0|1,0,1]=4 228 B6R0.3 CC(C#N)C(=O)O Z852759720 [0,2,0,0,0,0|1,0,0]=3 229 B6R0.3 CC(C)C(=O)NN Z56926537 [0,2,0,0,0,0|1,0,0]=3 230 B6R0.3 CC(C)C(O)C#N Z802900598 [0,2,0,0,0,0|1,0,1]=4 231 B6R0.3 CC(C)C(O)CN Z1255523288 [0,2,0,0,0,0|1,0,1]=4 232 B6R0.3 CC(C)N(C)C=O Z1258520821 [0,2,0,0,0,0|1,0,0]=3 233 B6R0.3 CC(CN)C(=O)O Z431542704 [0,2,0,0,0,0|1,0,0]=3 234 B6R0.3 CC(CO)C(=O)O Z431541400 [0,2,0,0,0,0|0,0,0]=2 235 B6R0.3 CC(N)C(C)CO Z1203581847 [0,2,0,0,0,0|1,0,1]=4 236 B6R0.3 CC(O)C(N)CN Z1250080890 [0,2,0,0,0,0|1,0,1]=4 237 B6R0.3 CCC(C)C(=N)N Z823287482 [0,2,0,0,0,0|2,0,0]=4 238 B6R0.3 CCC(C)C(=O)N Z270978420 [0,2,0,0,0,0|1,0,0]=3 239 B6R0.3 CCC(C)C(=O)O Z237374874 [0,2,0,0,0,0|1,0,0]=3 240 B6R0.3 CCC(N)C(=O)O Z104495144 [0,2,0,0,0,0|1,0,0]=3 241 B6R0.3 CCC(O)C(=O)N Z965049008 [0,2,0,0,0,0|0,0,0]=2 242 B6R0.3 CCC(O)C(=O)O Z246073650 [0,2,0,0,0,0|0,0,0]=2 243 B6R0.3 CCC(O)C(C)C Z445987082 [0,2,0,0,0,0|1,0,1]=4 244 B6R0.3 CCC(O)C(C)O Z1251352132 [0,2,0,0,0,0|0,0,2]=4 245 B6R0.3 CC[C@@H](N)C(=O)O Z904976986 [0,2,0,0,0,0|1,0,0]=3 246 B6R0.3 CC[C@H](C)C(=O)O Z1205493564 [0,2,0,0,0,0|1,0,0]=3 247 B6R0.3 CC[C@H](N)C(=O)O Z1741965569 [0,2,0,0,0,0|1,0,0]=3 248 B6R0.3 CN(C)C(=O)CN Z54751082 [0,2,0,0,0,0|2,0,0]=4 249 B6R0.3 CN(C)C(=O)CO Z431952018 [0,2,0,0,0,0|2,0,0]=4 250 B6R0.3 CN(N=O)C(=O)N Z104475776 [0,2,0,0,0,0|1,0,1]=4 251 B6R0.3 CNC(=O)C(C)Cl Z104346638 [0,2,0,0,0,0|1,0,0]=3 252 B6R0.3 CNC(=O)C(C)N Z105197440 [0,2,0,0,0,0|1,0,0]=3 253 B6R0.3 CNC(=O)C(C)O Z431951884 [0,2,0,0,0,0|0,0,0]=2 254 B6R0.3 CNC(=O)C(F)F Z32016385 [0,2,0,0,0,0|2,0,0]=4 255 B6R0.3 CNC(=O)[C@@H](C)N Z1346385420 [0,2,0,0,0,0|1,0,0]=3 256 B6R0.3 CNC(=O)[C@H](C)N Z1449756238 [0,2,0,0,0,0|1,0,0]=3 257 B6R0.3 CNC(C)C(=O)O Z1278590830 [0,2,0,0,0,0|1,0,0]=3 258 B6R0.3 CN[C@@H](C)C(=O)N Z2143576643 [0,2,0,0,0,0|1,0,0]=3 259 B6R0.3 COC(=N)C(C)C Z2944341356 [0,2,0,0,0,0|1,0,1]=4 260 B6R0.3 COC(=O)C(C)N Z56968898 [0,2,0,0,0,0|1,0,0]=3 261 B6R0.3 COC(C)C(=N)N Z1365534351 [0,2,0,0,0,0|1,0,0]=3 262 B6R0.3 COC(C)C(=O)C Z447898138 [0,2,0,0,0,0|0,0,0]=2 263 B6R0.3 COC(C)C(=O)N Z223645218 [0,2,0,0,0,0|0,0,0]=2 264 B6R0.3 COC(C)C(=O)O Z316258898 [0,2,0,0,0,0|0,0,0]=2 265 B6R0.3 COC(C)[C@@H](C)N Z2160914955 [0,2,0,0,0,0|1,0,1]=4 266 B6R0.3 COC(C)[C@H](C)N Z1795817829 [0,2,0,0,0,0|1,0,1]=4 267 B6R0.3 CSC(C)C(=N)N Z5622504221 [0,2,0,0,0,0|1,1,0]=4 268 B6R0.3 CSC(C)C(=O)O Z149191750 [0,2,0,0,0,0|0,1,0]=3 269 B6R0.3 CSC(C)C(C)O Z1273036711 [0,2,0,0,0,0|0,1,1]=4 270 B6R0.3 N#CC(Br)C(=O)N Z431988688 [0,2,0,0,0,0|1,0,1]=4 271 B6R0.3 NC(CO)C(=O)O Z57396986 [0,2,0,0,0,0|1,0,0]=3 272 B6R0.3 NC(CS)C(=O)O Z966690626 [0,2,0,0,0,0|1,0,0]=3 273 B6R0.3 NCC(N)C(=O)O Z2465863279 [0,2,0,0,0,0|1,0,0]=3 274 B6R0.3 NCC(O)C(=O)N Z1889902538 [0,2,0,0,0,0|0,0,0]=2 275 B6R0.3 NC[C@@H](F)C(=O)O Z2695741427 [0,2,0,0,0,0|1,0,0]=3 276 B6R0.3 NNC(=O)C(=O)O Z3068042919 [0,2,0,0,0,0|1,0,1]=4 277 B6R0.3 N[C@@H](CO)C(=O)O Z756440058 [0,2,0,0,0,0|1,0,0]=3 278 B6R0.3 N[C@@H](CS)C(=O)O Z760035162 [0,2,0,0,0,0|1,0,0]=3 279 B6R0.3 N[C@H](CO)C(=O)O Z1070067572 [0,2,0,0,0,0|1,0,0]=3 280 B6R0.3 O=C(O)C(=O)CBr Z1079181768 [0,2,0,0,0,0|0,0,2]=4 281 B6R0.4 C#CCCC(C)O Z854048672 [0,2,0,0,0,0|1,0,1]=4 282 B6R0.4 C=CCCC(C)N Z3681295487 [0,2,0,0,0,0|2,0,0]=4 283 B6R0.4 C=CCNC(C)C Z607822478 [0,2,0,0,0,0|2,0,0]=4 284 B6R0.4 C=COCC(C)C Z916978390 [0,2,0,0,0,0|2,0,0]=4 285 B6R0.4 CC(O)CCCN Z1198178891 [0,2,0,0,0,0|1,0,1]=4 286 B6R0.4 CCNCC(C)O Z138692768 [0,2,0,0,0,0|1,0,1]=4 287 B6R0.4 CNCCC(C)O Z1203731868 [0,2,0,0,0,0|1,0,1]=4 288 B6R0.4 COCCC(C)O Z818738042 [0,2,0,0,0,0|0,0,2]=4 289 B6R0.5 C#CCC(C)(C)O Z1098923701 [0,2,0,0,0,0|1,0,1]=4 290 B6R0.5 CC(C)(N)/C=C/Cl Z2827897660 [0,2,0,0,0,0|2,0,0]=4 291 B6R0.5 CC(C)(O)CC#N Z1182322175 [0,2,0,0,0,0|1,0,1]=4 292 B6R0.5 CCCC(C)(C)O Z449374450 [0,2,0,0,0,0|1,0,1]=4 293 B6R0.5 CNCC(C)(C)O Z600453550 [0,2,0,0,0,0|1,0,1]=4 294 B6R0.8 C#CC(C)(C)OC Z1198169184 [0,2,0,0,0,0|1,0,1]=4 295 B6R0.8 C#CC(C)(O)CC Z1251192957 [0,2,0,0,0,0|1,0,1]=4 296 B6R0.8 C=CC(C)(N)CC Z3042074270 [0,2,0,0,0,0|2,0,0]=4 297 B6R0.8 CC(C)(CN)CO Z3247605488 [0,2,0,0,0,0|1,0,1]=4 298 B6R0.8 CC(N)(C#N)CO Z2082998957 [0,2,0,0,0,0|1,0,1]=4 299 B6R0.8 CCC(C)(C)CO Z995039230 [0,2,0,0,0,0|1,0,1]=4 300 B6R0.8 CCC(C)(N)CO Z734150850 [0,2,0,0,0,0|1,0,1]=4 301 B6R0.8 CCC(C)(O)CC Z449374480 [0,2,0,0,0,0|1,0,1]=4 302 B6R0.8 CCC(C)(O)CN Z419085064 [0,2,0,0,0,0|1,0,1]=4 303 B6R0.8 CNC(C)(C)CO Z425727892 [0,2,0,0,0,0|2,0,0]=4 304 B6R0.8 COC(C)(C)CN Z1266933932 [0,2,0,0,0,0|1,0,1]=4 305 B6R0.8 COC(C)(C)CO Z1255430497 [0,2,0,0,0,0|0,0,2]=4 306 B6R0.9 CCC(C#N)OC Z851010100 [0,2,0,0,0,0|1,0,1]=4 307 B6R0.9 CCC(CN)OC Z2168541798 [0,2,0,0,0,0|1,0,1]=4 308 B6R0.9 CCC(CO)CO Z1198261463 [0,2,0,0,0,0|0,0,2]=4 309 B6R0.9 CCC(CO)OC Z1255373272 [0,2,0,0,0,0|0,0,2]=4 310 B6R0.9 CNC(CO)CO Z1939437574 [0,2,0,0,0,0|0,0,2]=4 311 B6R0.9 COC(C#N)OC Z1255464222 [0,2,0,0,0,0|1,0,1]=4 312 B6R0.7 CC(=O)C(C)(C)O Z939661728 [0,2,0,0,0,0|0,0,0]=2 313 B6R0.7 CC(C)(Br)C(=O)N Z1255458262 [0,2,0,0,0,0|1,0,0]=3 314 B6R0.7 CC(C)(C)C(=N)N Z56771178 [0,2,0,0,0,0|2,0,0]=4 315 B6R0.7 CC(C)(C)C(=O)N Z56895677 [0,2,0,0,0,0|1,0,0]=3 316 B6R0.7 CC(C)(C)C(=S)N Z278180216 [0,2,0,0,0,0|1,1,0]=4 317 B6R0.7 CC(C)(F)C(=O)O Z1201622349 [0,2,0,0,0,0|1,0,0]=3 318 B6R0.7 CC(C)(N)C(=O)N Z752371206 [0,2,0,0,0,0|1,0,0]=3 319 B6R0.7 CC(C)(N)C(=O)O Z317024776 [0,2,0,0,0,0|1,0,0]=3 320 B6R0.7 CC(C)(O)C(=N)N Z3244745533 [0,2,0,0,0,0|1,0,0]=3 321 B6R0.7 CC(C)(O)C(F)F Z1413814779 [0,2,0,0,0,0|1,0,1]=4 322 B6R0.7 CC(C)S(=O)(=O)N Z599618876 [0,2,0,0,0,0|2,0,0]=4 323 B6R0.7 CC(Cl)(Cl)C(=O)O Z1205493591 [0,2,0,0,0,0|1,0,0]=3 324 B6R0.7 CC(O)C(C)(C)N Z3688848535 [0,2,0,0,0,0|1,0,1]=4 325 B6R0.7 CC(O)S(=O)(=O)[O-] Z1198151272 [0,2,0,0,0,0|1,0,0]=3 326 B6R0.7 NC(=O)C(Cl)(Cl)Cl Z104473774 [0,2,0,0,0,0|2,0,0]=4 327 B6R0.7 O=C(O)C(Cl)(Cl)Cl Z104473288 [0,2,0,0,0,0|2,0,0]=4 328 B6R0.7 O=C(O)C(F)(F)Br Z328621122 [0,2,0,0,0,0|2,0,0]=4 329 B6R0.7 O=C(O)C(F)(F)Cl Z1270446583 [0,2,0,0,0,0|2,0,0]=4 330 B6R0.7 O=C(O)C(F)(F)F Z1834265899 [0,2,0,0,0,0|2,0,0]=4 331 B6R0.7 O=C([O-])C(F)(Cl)Cl Z56772166 [0,2,0,0,0,0|2,0,0]=4 332 B6R1.2 CC1=CC=CO1 Z104472456 [0,1,0,1,0,0|1,0,1]=4 333 B6R1.2 CC1=CN=CO1 Z1198180653 [0,1,0,1,0,0|1,0,1]=4 334 B6R1.2 NC1C=CCC1 Z2679312470 [0,1,0,1,0,0|2,0,0]=4 335 B6R1.2 NC1CC=CC1 Z1416200863 [0,1,0,1,0,0|2,0,0]=4 336 B6R1.2 N[C@@H]1C=CCC1 Z1203585093 [0,1,0,1,0,0|2,0,0]=4 337 B6R1.2 OC1C=CCC1 Z1255485846 [0,1,0,1,0,0|1,0,0]=3 338 B6R1.2 OC1CCOC1 Z1124541349 [0,1,0,1,0,0|0,0,2]=4 339 B6R1.2 OC1CCSC1 Z335244836 [0,1,0,1,0,0|0,1,1]=4 340 B6R1.2 O[C@@H]1CCNC1 Z1263714129 [0,1,0,1,0,0|1,0,1]=4 341 B6R1.2 O[C@H]1CCNC1 Z1263714116 [0,1,0,1,0,0|1,0,1]=4 342 B6R1.3 ClCCC1CO1 Z1205657512 [0,1,0,1,0,0|1,0,1]=4 343 B6R1.3 O=C=NC1CC1 Z316172632 [0,1,0,1,0,0|1,0,1]=4 344 B6R1.3 O=CCC1CC1 Z905066058 [0,1,0,1,0,0|1,0,0]=3 345 B6R1.5 N[C@H]1C[C@H](C1)O Z1416282421 [0,1,0,1,0,0|1,0,1]=4 346 B6R1.5 O[C@H]1C[C@H](C1)O Z2065357735 [0,1,0,1,0,0|0,0,2]=4 347 B6R1.8 C=C1CC1CN Z3454021936 [0,1,0,1,0,0|2,0,0]=4 348 B6R1.8 CC1CC1C=O Z1079442440 [0,1,0,1,0,0|1,0,0]=3 349 B6R1.8 CC1CC1CO Z397587430 [0,1,0,1,0,0|1,0,1]=4 350 B6R1.8 CC1OC1CCl Z1205657581 [0,1,0,1,0,0|1,0,1]=4 351 B6R1.8 C[C@H]1C[C@@H]1C=O Z1511765506 [0,1,0,1,0,0|1,0,0]=3 352 B6R1.8 C[C@H]1C[C@H]1C=O Z1511760860 [0,1,0,1,0,0|1,0,0]=3 353 B6R1.8 O=CC1CC1Cl Z1262480603 [0,1,0,1,0,0|1,0,0]=3 354 B6R1.8 O=C[C@@H]1C[C@H]1Cl Z4541248007 [0,1,0,1,0,0|1,0,0]=3 355 B6R1.9 CC1OC1(C)C Z1255419606 [0,1,0,1,0,0|1,0,1]=4 356 B6R1.10 CC1(CCC1)O Z1241455013 [0,1,0,1,0,0|1,0,1]=4 357 B6R1.11 C=C(Cl)C1CO1 Z2574917304 [0,1,0,1,0,0|1,0,0]=3 358 B6R1.11 CC(C)C1CO1 Z1020679856 [0,1,0,1,0,0|1,0,1]=4 359 B6R1.11 N=C(N)C1CC1 Z935140732 [0,1,0,1,0,0|2,0,0]=4 360 B6R1.11 O=S([O-])C1CC1 Z1741965693 [0,1,0,1,0,0|2,0,0]=4 361 B6R1.6 COC1CNC1 Z1267773781 [0,1,0,1,0,0|1,0,1]=4 362 B6R1.6 O=CC1CCC1 Z1079442452 [0,1,0,1,0,0|1,0,0]=3 363 B6R1.7 CC1(CC1)C=O Z1263714317 [0,1,0,1,0,0|1,0,0]=3 364 B6R1.7 CC1(CO1)CCl Z1201618277 [0,1,0,1,0,0|1,0,1]=4 365 B6R1.7 CCC1(CO1)C Z1020679924 [0,1,0,1,0,0|1,0,1]=4