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=C(Br)CN Z600439032 [0,0,0,0,0,0|1,0,2]=3 3 B4R0.1 C=C(Br)CO Z600440434 [0,0,0,0,0,0|2,0,2]=4 4 B4R0.1 C=CC(=C)C Z104474660 [0,0,0,0,0,0|2,0,2]=4 5 B4R0.1 C=CC(=O)O Z57127944 [0,0,0,0,0,0|2,0,2]=4 6 B4R0.1 C=CC(C)N Z1446855743 [0,0,0,0,0,0|2,0,1]=3 7 B4R0.1 CC(=O)C=O Z104495190 [0,0,0,0,0,0|1,0,3]=4 8 B4R0.1 CC(=O)CN Z1262398366 [0,0,0,0,0,0|0,0,2]=2 9 B4R0.1 CC(=O)NN Z58981787 [0,0,0,0,0,0|1,0,2]=3 10 B4R0.1 CC(=O)NO Z59181917 [0,0,0,0,0,0|2,0,2]=4 11 B4R0.1 CC(C)NO Z1198161074 [0,0,0,0,0,0|3,0,0]=3 12 B4R0.1 CC(F)CN Z2941405027 [0,0,0,0,0,0|1,0,0]=1 13 B4R0.1 CC(N)CF Z2096088772 [0,0,0,0,0,0|2,0,0]=2 14 B4R0.1 CC(N)CN Z104474490 [0,0,0,0,0,0|1,0,0]=1 15 B4R0.1 CC(O)CN Z104477092 [0,0,0,0,0,0|0,0,0]=0 16 B4R0.1 CC(O)CO Z106938868 [0,0,0,0,0,0|1,0,0]=1 17 B4R0.1 CCC(=N)N Z1741969146 [0,0,0,0,0,0|3,0,1]=4 18 B4R0.1 CCC(=O)N Z33546482 [0,0,0,0,0,0|2,0,2]=4 19 B4R0.1 CCC(=O)O Z104474154 [0,0,0,0,0,0|2,0,1]=3 20 B4R0.1 CCC(=S)N Z241091446 [0,0,0,0,0,0|2,1,1]=4 21 B4R0.1 CCC(C)N Z104472234 [0,0,0,0,0,0|2,0,0]=2 22 B4R0.1 CC[C@@H](C)O Z1203162396 [0,0,0,0,0,0|1,0,0]=1 23 B4R0.1 CN(C)C#N Z1255394988 [0,0,0,0,0,0|2,0,2]=4 24 B4R0.1 CN(C)N=O Z1255485177 [0,0,0,0,0,0|4,0,0]=4 25 B4R0.1 CNC(=N)C Z2146515751 [0,0,0,0,0,0|3,0,1]=4 26 B4R0.1 CNC(=O)C Z32016274 [0,0,0,0,0,0|2,0,2]=4 27 B4R0.1 C[C@@H](N)CN Z3234812272 [0,0,0,0,0,0|1,0,0]=1 28 B4R0.1 C[C@@H](N)CO Z346076140 [0,0,0,0,0,0|2,0,0]=2 29 B4R0.1 C[C@@H](O)CO Z1255486379 [0,0,0,0,0,0|1,0,0]=1 30 B4R0.1 C[C@H](N)CN Z1741977335 [0,0,0,0,0,0|1,0,0]=1 31 B4R0.1 C[C@H](O)CN Z1203577967 [0,0,0,0,0,0|0,0,0]=0 32 B4R0.1 C[C@H](O)CO Z1255449993 [0,0,0,0,0,0|1,0,0]=1 33 B4R0.1 N=C(N)CCl Z204878288 [0,0,0,0,0,0|3,0,1]=4 34 B4R0.1 N=C(N)CN Z3798800325 [0,0,0,0,0,0|2,0,1]=3 35 B4R0.1 N=C(N)CO Z1259341033 [0,0,0,0,0,0|3,0,1]=4 36 B4R0.1 N=C(N)NN Z1259217988 [0,0,0,0,0,0|3,0,1]=4 37 B4R0.1 NC(=O)CF Z104475768 [0,0,0,0,0,0|2,0,2]=4 38 B4R0.1 NC(=O)CI Z1080376832 [0,0,0,0,0,0|2,0,2]=4 39 B4R0.1 NC(=O)CO Z424788508 [0,0,0,0,0,0|2,0,2]=4 40 B4R0.1 NCC(=O)N Z1262254285 [0,0,0,0,0,0|1,0,2]=3 41 B4R0.1 NCC(=O)O Z955123660 [0,0,0,0,0,0|1,0,1]=2 42 B4R0.1 NCC(F)F Z1295543893 [0,0,0,0,0,0|2,0,0]=2 43 B4R0.1 NNC(=O)N Z104473922 [0,0,0,0,0,0|2,0,2]=4 44 B4R0.1 O=C(O)CBr Z104473018 [0,0,0,0,0,0|2,0,1]=3 45 B4R0.1 O=C(O)CO Z104473274 [0,0,0,0,0,0|2,0,1]=3 46 B4R0.1 O=[N+]([O-])CBr Z1255485348 [0,0,0,0,0,0|3,0,1]=4 47 B4R0.1 OCC(F)F Z397587054 [0,0,0,0,0,0|3,0,0]=3 48 B3R0.1 C=CCO Z104473976 [1,0,0,0,0,0|1,0,1]=3 49 B3R0.1 N#CCN Z1210869368 [1,0,0,0,0,0|1,0,1]=3 50 B3R0.1 N/C=N/O Z156964716 [1,0,0,0,0,0|1,0,1]=3 51 B3R0.1 NCCF Z1966571823 [1,0,0,0,0,0|1,0,0]=2 52 B3R0.1 NCCN Z104473714 [1,0,0,0,0,0|1,0,0]=2 53 B3R0.1 NCCO Z104473700 [1,0,0,0,0,0|0,0,0]=1 54 B3R0.1 NCCS Z104474494 [1,0,0,0,0,0|0,1,0]=2 55 B3R0.1 OCCS Z104473584 [1,0,0,0,0,0|1,0,0]=2 56 B3R0.2 CC(=O)N Z33546370 [1,0,0,0,0,0|0,0,2]=3 57 B3R0.2 CC(=O)O Z1954803614 [1,0,0,0,0,0|1,0,1]=3 58 B3R0.2 CC(=O)[S-] Z1142554016 [1,0,0,0,0,0|1,0,2]=4 59 B3R0.2 NC(=O)N Z104473900 [1,0,0,0,0,0|1,0,2]=4 60 B5R0.1 C#CCC(=O)O Z295890060 [0,1,0,0,0,0|2,0,1]=4 61 B5R0.1 C#CCC(C)N Z3490223481 [0,1,0,0,0,0|2,0,0]=3 62 B5R0.1 C#CCC(C)O Z969111576 [0,1,0,0,0,0|1,0,0]=2 63 B5R0.1 C=C(C)CCN Z1203582475 [0,1,0,0,0,0|1,0,1]=3 64 B5R0.1 C=CCC(C)N Z1269638561 [0,1,0,0,0,0|2,0,0]=3 65 B5R0.1 CC(=CCN)C Z1827897919 [0,1,0,0,0,0|1,0,1]=3 66 B5R0.1 CC(=O)CCO Z906206900 [0,1,0,0,0,0|1,0,2]=4 67 B5R0.1 CC(C)CC#N Z104473272 [0,1,0,0,0,0|1,0,1]=3 68 B5R0.1 CC(C)CCO Z104473558 [0,1,0,0,0,0|2,0,0]=3 69 B5R0.1 CC(C)N=C=S Z56964589 [0,1,0,0,0,0|2,0,1]=4 70 B5R0.1 CC(C)NC=O Z1201617634 [0,1,0,0,0,0|2,0,1]=4 71 B5R0.1 CC(N)CC#N Z1267773800 [0,1,0,0,0,0|1,0,1]=3 72 B5R0.1 CC(N)CCO Z385458430 [0,1,0,0,0,0|2,0,0]=3 73 B5R0.1 CC(O)CC#N Z847151284 [0,1,0,0,0,0|0,0,1]=2 74 B5R0.1 CC(O)CCN Z802904114 [0,1,0,0,0,0|0,0,0]=1 75 B5R0.1 CC(O)CCO Z104473530 [0,1,0,0,0,0|1,0,0]=2 76 B5R0.1 CCCC(=O)O Z104495380 [0,1,0,0,0,0|2,0,1]=4 77 B5R0.1 CCCC(C)N Z2417819590 [0,1,0,0,0,0|2,0,0]=3 78 B5R0.1 CN(C)CCF Z5487577684 [0,1,0,0,0,0|3,0,0]=4 79 B5R0.1 CN(C)CCO Z104473552 [0,1,0,0,0,0|3,0,0]=4 80 B5R0.1 CN(C)CCS Z362025514 [0,1,0,0,0,0|3,0,0]=4 81 B5R0.1 CNCC(=O)N Z415678308 [0,1,0,0,0,0|1,0,2]=4 82 B5R0.1 CNCC(=O)O Z104480276 [0,1,0,0,0,0|1,0,1]=3 83 B5R0.1 CNCC(C)C Z951367674 [0,1,0,0,0,0|1,0,0]=2 84 B5R0.1 CNCC(C)N Z1413780485 [0,1,0,0,0,0|1,0,0]=2 85 B5R0.1 CNCC(C)O Z138692700 [0,1,0,0,0,0|0,0,0]=1 86 B5R0.1 CNCC(F)F Z1259341074 [0,1,0,0,0,0|2,0,0]=3 87 B5R0.1 COCC(=O)O Z104477404 [0,1,0,0,0,0|2,0,1]=4 88 B5R0.1 COCC(C)O Z825742124 [0,1,0,0,0,0|1,0,0]=2 89 B5R0.1 COC[C@@H](C)N Z1270482298 [0,1,0,0,0,0|2,0,0]=3 90 B5R0.1 COC[C@H](C)N Z1270502316 [0,1,0,0,0,0|2,0,0]=3 91 B5R0.1 CS(=O)CC#N Z1198176972 [0,1,0,0,0,0|1,0,2]=4 92 B5R0.1 CS(=O)CCN Z802568576 [0,1,0,0,0,0|1,0,1]=3 93 B5R0.1 CSCC(C)O Z732208306 [0,1,0,0,0,0|1,0,0]=2 94 B5R0.1 CSCS(=O)C Z1255438413 [0,1,0,0,0,0|2,0,1]=4 95 B5R0.1 C[C@@H](N)CCO Z1526453858 [0,1,0,0,0,0|2,0,0]=3 96 B5R0.1 C[C@@H](O)CCN Z1860991703 [0,1,0,0,0,0|0,0,0]=1 97 B5R0.1 N#CCC(=O)O Z104476112 [0,1,0,0,0,0|1,0,2]=4 98 B5R0.1 NCC=C(Cl)Cl Z2469606492 [0,1,0,0,0,0|2,0,1]=4 99 B5R0.1 NCC=C(F)F Z4511316967 [0,1,0,0,0,0|2,0,1]=4 100 B5R0.1 NCCC(=O)N Z415728050 [0,1,0,0,0,0|1,0,2]=4 101 B5R0.1 NCCC(=O)O Z57127544 [0,1,0,0,0,0|1,0,1]=3 102 B5R0.1 NOCC(=O)O Z90662171 [0,1,0,0,0,0|1,0,1]=3 103 B5R0.1 O=C(O)CCCl Z203045320 [0,1,0,0,0,0|2,0,1]=4 104 B5R0.1 O=C(O)CCS Z104474322 [0,1,0,0,0,0|2,0,1]=4 105 B5R0.1 O=C(O)CNO Z1205493750 [0,1,0,0,0,0|1,0,1]=3 106 B5R0.3 C#CC(N)CO Z2235790715 [0,1,0,0,0,0|2,0,1]=4 107 B5R0.3 C=C(CC)CN Z2238934536 [0,1,0,0,0,0|1,0,1]=3 108 B5R0.3 C=CC(N)CO Z2146514374 [0,1,0,0,0,0|2,0,1]=4 109 B5R0.3 CC(C#N)C#N Z844634884 [0,1,0,0,0,0|1,0,2]=4 110 B5R0.3 CC(C#N)CO Z406338220 [0,1,0,0,0,0|0,0,2]=3 111 B5R0.3 CC(CN)CN Z951173758 [0,1,0,0,0,0|1,0,0]=2 112 B5R0.3 CC(CN)CO Z406342068 [0,1,0,0,0,0|0,0,0]=1 113 B5R0.3 CC(CO)CS Z1262475362 [0,1,0,0,0,0|1,0,0]=2 114 B5R0.3 CC/C(=N/O)/N Z241067842 [0,1,0,0,0,0|2,0,1]=4 115 B5R0.3 CCC(=O)CC Z104476878 [0,1,0,0,0,0|1,0,2]=4 116 B5R0.3 CCC(=O)CN Z1203579016 [0,1,0,0,0,0|0,0,2]=3 117 B5R0.3 CCC(=O)NN Z56886418 [0,1,0,0,0,0|1,0,2]=4 118 B5R0.3 CCC(C)CN Z2350903977 [0,1,0,0,0,0|1,0,0]=2 119 B5R0.3 CCC(C)NC Z594038230 [0,1,0,0,0,0|2,0,0]=3 120 B5R0.3 CCC(N)C#N Z445129502 [0,1,0,0,0,0|1,0,2]=4 121 B5R0.3 CCC(N)CN Z1263714131 [0,1,0,0,0,0|1,0,0]=2 122 B5R0.3 CCC(N)CO Z104474862 [0,1,0,0,0,0|2,0,0]=3 123 B5R0.3 CCC(O)C#N Z419078094 [0,1,0,0,0,0|0,0,2]=3 124 B5R0.3 CCC(O)CN Z419084746 [0,1,0,0,0,0|0,0,0]=1 125 B5R0.3 CCC(O)CO Z600450538 [0,1,0,0,0,0|1,0,0]=2 126 B5R0.3 CCN(C)C=O Z1258520870 [0,1,0,0,0,0|2,0,1]=4 127 B5R0.3 CCN(C)N=O Z1198147516 [0,1,0,0,0,0|2,0,1]=4 128 B5R0.3 CC[C@@H](N)C#N Z1203638467 [0,1,0,0,0,0|1,0,2]=4 129 B5R0.3 CC[C@@H](N)CO Z1203162359 [0,1,0,0,0,0|2,0,0]=3 130 B5R0.3 CC[C@H](N)CO Z1203162358 [0,1,0,0,0,0|2,0,0]=3 131 B5R0.3 CNC(=N)NN Z2301534051 [0,1,0,0,0,0|2,0,1]=4 132 B5R0.3 CNC(=O)CCl Z56891219 [0,1,0,0,0,0|1,0,2]=4 133 B5R0.3 CNC(=O)CN Z57981102 [0,1,0,0,0,0|0,0,2]=3 134 B5R0.3 CNC(=O)CO Z431952700 [0,1,0,0,0,0|1,0,2]=4 135 B5R0.3 CNC(=O)CS Z1203730878 [0,1,0,0,0,0|1,0,2]=4 136 B5R0.3 CNC(C)CN Z941154208 [0,1,0,0,0,0|1,0,0]=2 137 B5R0.3 COC(=O)CN Z57042020 [0,1,0,0,0,0|0,0,2]=3 138 B5R0.3 COC(C)CN Z1795817756 [0,1,0,0,0,0|0,0,0]=1 139 B5R0.3 COC(C)CO Z1198150719 [0,1,0,0,0,0|1,0,0]=2 140 B5R0.3 CSC(C)CN Z844632970 [0,1,0,0,0,0|0,1,0]=2 141 B5R0.3 CSC(C)CO Z1273053291 [0,1,0,0,0,0|1,1,0]=3 142 B5R0.3 N#CC(N)CO Z2301438409 [0,1,0,0,0,0|1,0,2]=4 143 B5R0.3 N=C(CN)NO Z223781376 [0,1,0,0,0,0|1,0,1]=3 144 B5R0.3 NC(CO)CO Z1203577940 [0,1,0,0,0,0|2,0,0]=3 145 B5R0.3 NCC(=O)CN Z1198147360 [0,1,0,0,0,0|0,0,2]=3 146 B5R0.3 NCC(F)CN Z2733320873 [0,1,0,0,0,0|1,0,0]=2 147 B5R0.3 NCC(N)CN Z1203578196 [0,1,0,0,0,0|1,0,0]=2 148 B5R0.3 NCC(O)CF Z2311274712 [0,1,0,0,0,0|0,0,0]=1 149 B5R0.3 O=C(CO)CO Z1255442144 [0,1,0,0,0,0|1,0,2]=4 150 B5R0.3 OCC(O)CO Z104473548 [0,1,0,0,0,0|1,0,0]=2 151 B5R0.3 OCC(O)CS Z1255382958 [0,1,0,0,0,0|1,0,0]=2 152 B5R0.4 C#CC(C)(C)O Z1245735173 [0,1,0,0,0,0|1,0,1]=3 153 B5R0.4 C=CC(C)(C)N Z2940715337 [0,1,0,0,0,0|2,0,1]=4 154 B5R0.4 CC(C)(C)C#N Z278179882 [0,1,0,0,0,0|1,0,2]=4 155 B5R0.4 CC(C)(C)CN Z291234094 [0,1,0,0,0,0|1,0,0]=2 156 B5R0.4 CC(C)(C)CO Z397587176 [0,1,0,0,0,0|2,0,0]=3 157 B5R0.4 CC(C)(F)C#N Z1198369138 [0,1,0,0,0,0|1,0,2]=4 158 B5R0.4 CC(C)(N)C#N Z57176535 [0,1,0,0,0,0|1,0,2]=4 159 B5R0.4 CC(C)(N)CN Z1266854946 [0,1,0,0,0,0|1,0,0]=2 160 B5R0.4 CC(C)(O)C#N Z104473082 [0,1,0,0,0,0|0,0,2]=3 161 B5R0.4 CC(C)(O)CO Z600454414 [0,1,0,0,0,0|1,0,0]=2 162 B5R0.4 CC(F)(F)CN Z1201623622 [0,1,0,0,0,0|1,0,0]=2 163 B5R0.4 CCC(C)(C)N Z104480062 [0,1,0,0,0,0|2,0,0]=3 164 B5R0.4 CCC(C)(C)O Z104473496 [0,1,0,0,0,0|1,0,0]=2 165 B5R0.4 CS(=O)(=O)NN Z283687760 [0,1,0,0,0,0|2,0,1]=4 166 B5R0.4 NCC(F)(F)Cl Z3208061227 [0,1,0,0,0,0|2,0,0]=3 167 B5R0.4 NCC(F)(F)F Z235149257 [0,1,0,0,0,0|2,0,0]=3 168 B5R0.4 OCC(Br)(Br)Br Z1269188950 [0,1,0,0,0,0|3,0,0]=4 169 B5R0.4 [O-]CC(F)(F)F Z1723549330 [0,1,0,0,0,0|3,0,0]=4 170 B5R0.5 CC(=O)C(C)N Z1263529525 [0,1,0,0,0,0|0,0,2]=3 171 B5R0.5 CC(Br)C(=O)O Z57127555 [0,1,0,0,0,0|2,0,1]=4 172 B5R0.5 CC(C)C(=N)N Z381357616 [0,1,0,0,0,0|1,0,1]=3 173 B5R0.5 CC(C)C(=O)N Z57046209 [0,1,0,0,0,0|1,0,1]=3 174 B5R0.5 CC(C)C(=O)O Z104473380 [0,1,0,0,0,0|2,0,1]=4 175 B5R0.5 CC(C)[N+](=O)[O-] Z104474978 [0,1,0,0,0,0|3,0,0]=4 176 B5R0.5 CC(Cl)C(=O)N Z56924427 [0,1,0,0,0,0|1,0,1]=3 177 B5R0.5 CC(Cl)C(=O)O Z147646840 [0,1,0,0,0,0|2,0,1]=4 178 B5R0.5 CC(N)C(=O)N Z54749436 [0,1,0,0,0,0|1,0,1]=3 179 B5R0.5 CC(N)C(=O)O Z57396987 [0,1,0,0,0,0|1,0,1]=3 180 B5R0.5 CC(N)C(C)N Z2335631664 [0,1,0,0,0,0|1,0,0]=2 181 B5R0.5 CC(O)C(=N)N Z2216711526 [0,1,0,0,0,0|0,0,1]=2 182 B5R0.5 CC(O)C(=O)N Z57206008 [0,1,0,0,0,0|0,0,1]=2 183 B5R0.5 CC(O)C(C)O Z104473532 [0,1,0,0,0,0|1,0,0]=2 184 B5R0.5 CC(S)C(=O)O Z104477082 [0,1,0,0,0,0|1,1,1]=4 185 B5R0.5 CN(C)C(=N)N Z1839480548 [0,1,0,0,0,0|2,0,1]=4 186 B5R0.5 CN(C)C(=S)N Z56347524 [0,1,0,0,0,0|2,0,1]=4 187 B5R0.5 C[C@@H](N)C(=O)O Z802692914 [0,1,0,0,0,0|1,0,1]=3 188 B5R0.5 C[C@H](N)C(=O)N Z359371050 [0,1,0,0,0,0|1,0,1]=3 189 B5R0.5 C[C@H](N)C(=O)O Z756424912 [0,1,0,0,0,0|1,0,1]=3 190 B5R0.5 NC(=O)C(F)F Z33546481 [0,1,0,0,0,0|2,0,1]=4 191 B5R0.5 O=C(O)C(Cl)Cl Z104476414 [0,1,0,0,0,0|2,0,1]=4 192 B5R0.5 O=C(O)C(F)F Z104474070 [0,1,0,0,0,0|2,0,1]=4 193 B5R1.2 NC1CCC1 Z1266823158 [0,0,0,1,0,0|2,0,0]=3 194 B5R1.2 NC1COC1 Z317054188 [0,0,0,1,0,0|2,0,0]=3 195 B5R1.2 O=C1CCO1 Z1089877620 [0,0,0,1,0,0|2,0,1]=4 196 B5R1.2 OC1CNC1 Z1012638850 [0,0,0,1,0,0|0,0,0]=1 197 B5R1.2 OC1COC1 Z1123686553 [0,0,0,1,0,0|1,0,0]=2 198 B5R1.3 CNC1CC1 Z138412880 [0,0,0,1,0,0|3,0,0]=4 199 B5R1.3 ClCC1CO1 Z104473190 [0,0,0,1,0,0|1,0,0]=2 200 B5R1.3 N#CC1CC1 Z247612572 [0,0,0,1,0,0|1,0,2]=4 201 B5R1.3 OCC1CC1 Z104479000 [0,0,0,1,0,0|2,0,0]=3 202 B5R1.3 OCC1CO1 Z104476180 [0,0,0,1,0,0|1,0,0]=2 203 B5R1.3 OC[C@@H]1CO1 Z1222330631 [0,0,0,1,0,0|1,0,0]=2 204 B5R1.3 OC[C@H]1CO1 Z1222330633 [0,0,0,1,0,0|1,0,0]=2 205 B5R1.4 CC1CC1N Z406520774 [0,0,0,1,0,0|1,0,0]=2 206 B5R1.4 C[C@@H]1C[C@H]1N Z993905302 [0,0,0,1,0,0|1,0,0]=2 207 B2R0.1 CNC Z57834054 [2,0,0,0,0,0|1,0,0]=3 208 B4R0.2 C#CCCN Z1267881669 [1,1,0,0,0,0|0,0,1]=3 209 B4R0.2 CC#CCN Z1713595498 [1,1,0,0,0,0|0,0,1]=3 210 B4R0.2 CCCC#N Z238878246 [1,1,0,0,0,0|0,0,1]=3 211 B4R0.2 CCCCN Z104474314 [1,1,0,0,0,0|0,0,0]=2 212 B4R0.2 CCCCO Z104473488 [1,1,0,0,0,0|1,0,0]=3 213 B4R0.2 CCCNN Z415728048 [1,1,0,0,0,0|0,0,0]=2 214 B4R0.2 CNCC#N Z1262250834 [1,1,0,0,0,0|0,0,2]=4 215 B4R0.2 COCC#N Z86023357 [1,1,0,0,0,0|0,0,2]=4 216 B4R0.2 COCCO Z104473522 [1,1,0,0,0,0|1,0,0]=3 217 B4R0.2 CSCCO Z149154880 [1,1,0,0,0,0|1,0,0]=3 218 B4R0.2 N#CCCN Z1895741700 [1,1,0,0,0,0|0,0,1]=3 219 B4R0.2 NC/C=C/Cl Z2941400887 [1,1,0,0,0,0|0,0,2]=4 220 B4R0.2 NCC#CBr Z4442967693 [1,1,0,0,0,0|0,0,2]=4 221 B4R0.2 NCCCN Z104478068 [1,1,0,0,0,0|0,0,0]=2 222 B4R0.2 NCCCO Z56771034 [1,1,0,0,0,0|0,0,0]=2 223 B4R0.3 CC(C)(C)Cl Z281778956 [1,1,0,0,0,0|1,0,0]=3 224 B4R0.3 CS(=O)(=O)C Z417007936 [1,1,0,0,0,0|1,0,1]=4 225 B4R0.3 CS(=O)(=O)N Z54080282 [1,1,0,0,0,0|1,0,1]=4 226 B4R0.3 CS(=O)(=O)O Z281776238 [1,1,0,0,0,0|2,0,0]=4 227 B6R0.1 C#CCC(N)CC Z969111798 [0,2,0,0,0,0|2,0,0]=4 228 B6R0.1 C#CCC(O)CN Z2491498074 [0,2,0,0,0,0|0,0,0]=2 229 B6R0.1 C=CCC(N)CC Z1981870426 [0,2,0,0,0,0|2,0,0]=4 230 B6R0.1 C=CCC(N)CO Z1815149150 [0,2,0,0,0,0|2,0,0]=4 231 B6R0.1 C=CCC(O)CC Z808662120 [0,2,0,0,0,0|1,0,0]=3 232 B6R0.1 CC(CN)CCO Z1203581915 [0,2,0,0,0,0|0,0,0]=2 233 B6R0.1 CC(CO)CCN Z5410631465 [0,2,0,0,0,0|0,0,0]=2 234 B6R0.1 CCC(C)CNC Z1266854907 [0,2,0,0,0,0|1,0,0]=3 235 B6R0.1 CCC(C)N=C=S Z323038722 [0,2,0,0,0,0|1,1,0]=4 236 B6R0.1 CCC(N)CCO Z1258578227 [0,2,0,0,0,0|2,0,0]=4 237 B6R0.1 CCC(N)COC Z825742260 [0,2,0,0,0,0|2,0,0]=4 238 B6R0.1 CCC(O)CCN Z406342052 [0,2,0,0,0,0|0,0,0]=2 239 B6R0.1 CCC(O)CCO Z1198157972 [0,2,0,0,0,0|1,0,0]=3 240 B6R0.1 CCCC(=O)CN Z1203579017 [0,2,0,0,0,0|0,0,2]=4 241 B6R0.1 CCCC(C)C#N Z415654768 [0,2,0,0,0,0|2,0,0]=4 242 B6R0.1 CCCC(C)NC Z394693580 [0,2,0,0,0,0|2,0,0]=4 243 B6R0.1 CCCC(N)CC Z1642389626 [0,2,0,0,0,0|2,0,0]=4 244 B6R0.1 CCCC(N)CN Z425861040 [0,2,0,0,0,0|1,0,0]=3 245 B6R0.1 CCCC(O)CN Z419084742 [0,2,0,0,0,0|0,0,0]=2 246 B6R0.1 CCNC(=O)CN Z54747476 [0,2,0,0,0,0|0,0,2]=4 247 B6R0.1 CCNC(C)C#N Z2526709253 [0,2,0,0,0,0|2,0,0]=4 248 B6R0.1 CCNC(C)CC Z2509351098 [0,2,0,0,0,0|2,0,0]=4 249 B6R0.1 CCOC(=O)CN Z594038186 [0,2,0,0,0,0|0,0,2]=4 250 B6R0.1 CCOC(C)CN Z844631802 [0,2,0,0,0,0|0,0,0]=2 251 B6R0.1 CCS(=O)CCN Z1266854910 [0,2,0,0,0,0|1,0,1]=4 252 B6R0.1 CCSC(C)C#N Z45225009 [0,2,0,0,0,0|2,0,0]=4 253 B6R0.1 CNC(=O)CCN Z425449754 [0,2,0,0,0,0|0,0,2]=4 254 B6R0.1 CNC(C)CC#N Z666295372 [0,2,0,0,0,0|1,0,1]=4 255 B6R0.1 CNC(C)CCO Z1198266877 [0,2,0,0,0,0|2,0,0]=4 256 B6R0.1 CNC(C)COC Z815264298 [0,2,0,0,0,0|2,0,0]=4 257 B6R0.1 CNC(C)CSC Z995116552 [0,2,0,0,0,0|2,0,0]=4 258 B6R0.1 CNCC(=O)NC Z57981096 [0,2,0,0,0,0|0,0,2]=4 259 B6R0.1 CNCC(=O)OC Z89264972 [0,2,0,0,0,0|0,0,2]=4 260 B6R0.1 CNCC(C)OC Z2065788390 [0,2,0,0,0,0|0,0,0]=2 261 B6R0.1 CNC[C@H](O)CO Z600533638 [0,2,0,0,0,0|0,0,0]=2 262 B6R0.1 COC(C)CC#N Z847151020 [0,2,0,0,0,0|0,0,1]=3 263 B6R0.1 COC(C)CCN Z802903932 [0,2,0,0,0,0|0,0,0]=2 264 B6R0.1 COCC(C)CO Z1192375999 [0,2,0,0,0,0|1,0,0]=3 265 B6R0.1 COCC(N)CN Z1203580237 [0,2,0,0,0,0|1,0,0]=3 266 B6R0.1 COCC(N)CO Z1945984156 [0,2,0,0,0,0|2,0,0]=4 267 B6R0.1 COCC(O)CN Z271097108 [0,2,0,0,0,0|0,0,0]=2 268 B6R0.1 CSC(C)CCN Z732208464 [0,2,0,0,0,0|0,1,0]=3 269 B6R0.1 CSC(C)CCO Z1262258908 [0,2,0,0,0,0|1,1,0]=4 270 B6R0.1 CSCC(C)CN Z732208434 [0,2,0,0,0,0|0,1,0]=3 271 B6R0.1 CSCC(C)CO Z1270310211 [0,2,0,0,0,0|1,0,0]=3 272 B6R0.1 CSCC(O)CO Z1126770422 [0,2,0,0,0,0|1,0,0]=3 273 B6R0.1 NCC[C@H](F)CN Z4607150940 [0,2,0,0,0,0|1,0,0]=3 274 B6R0.2 CC(=O)CC(C)N Z57329385 [0,2,0,0,0,0|0,0,2]=4 275 B6R0.2 CC(C)CB(O)O Z1098324138 [0,2,0,0,0,0|2,0,0]=4 276 B6R0.2 CC(C)CC(=N)N Z1346385639 [0,2,0,0,0,0|1,0,0]=3 277 B6R0.2 CC(C)CC(=O)N Z33546511 [0,2,0,0,0,0|1,0,0]=3 278 B6R0.2 CC(C)CC(=O)O Z104474910 [0,2,0,0,0,0|2,0,0]=4 279 B6R0.2 CC(C)NC(=N)N Z1650168329 [0,2,0,0,0,0|1,0,1]=4 280 B6R0.2 CC(C)NC(=O)N Z56887677 [0,2,0,0,0,0|1,0,1]=4 281 B6R0.2 CC(C)NC(=S)N Z56979374 [0,2,0,0,0,0|1,0,1]=4 282 B6R0.2 CC(N)CC(=O)N Z594220690 [0,2,0,0,0,0|1,0,0]=3 283 B6R0.2 CC(N)CC(=O)O Z147647144 [0,2,0,0,0,0|1,0,1]=4 284 B6R0.2 CC(N)CS(=O)C Z1238793449 [0,2,0,0,0,0|1,0,1]=4 285 B6R0.2 CN(C)CC(=O)N Z54750057 [0,2,0,0,0,0|2,0,0]=4 286 B6R0.2 CN(C)CC(=O)O Z235580496 [0,2,0,0,0,0|1,0,1]=4 287 B6R0.2 CS(=O)CC(=O)N Z1203581973 [0,2,0,0,0,0|1,0,1]=4 288 B6R0.2 C[C@H](N)CC(=O)O Z1741969208 [0,2,0,0,0,0|1,0,1]=4 289 B6R0.2 NC(=O)CC(=O)O Z963467736 [0,2,0,0,0,0|1,0,1]=4 290 B6R0.3 C#CC(N)C(C)C Z1982493902 [0,2,0,0,0,0|1,0,0]=3 291 B6R0.3 C#C[C@@H](N)C(C)C Z4351247948 [0,2,0,0,0,0|1,0,0]=3 292 B6R0.3 C=CC(N)C(=O)O Z3244810526 [0,2,0,0,0,0|1,0,1]=4 293 B6R0.3 CC(=C(F)CN)C Z1203639272 [0,2,0,0,0,0|1,0,1]=4 294 B6R0.3 CC(C#N)C(=O)O Z852759720 [0,2,0,0,0,0|0,0,2]=4 295 B6R0.3 CC(C)C(=O)NN Z56926537 [0,2,0,0,0,0|1,0,1]=4 296 B6R0.3 CC(C)C(C)C#N Z415654752 [0,2,0,0,0,0|1,0,1]=4 297 B6R0.3 CC(C)C(C)CN Z415654990 [0,2,0,0,0,0|1,0,0]=3 298 B6R0.3 CC(C)C(N)C#N Z1266854874 [0,2,0,0,0,0|1,0,0]=3 299 B6R0.3 CC(C)C(N)CN Z1266933925 [0,2,0,0,0,0|1,0,0]=3 300 B6R0.3 CC(C)C(O)C#N Z802900598 [0,2,0,0,0,0|0,0,2]=4 301 B6R0.3 CC(C)C(O)CN Z1255523288 [0,2,0,0,0,0|0,0,0]=2 302 B6R0.3 CC(C)[C@@H](N)C#N Z1695797928 [0,2,0,0,0,0|1,0,0]=3 303 B6R0.3 CC(C)[C@H](N)C#N Z1708090079 [0,2,0,0,0,0|1,0,0]=3 304 B6R0.3 CC(C)[C@H](N)CO Z1741982893 [0,2,0,0,0,0|1,0,0]=3 305 B6R0.3 CC(CN)C(=O)O Z431542704 [0,2,0,0,0,0|0,0,0]=2 306 B6R0.3 CC(CN)C(F)F Z3243520505 [0,2,0,0,0,0|1,0,0]=3 307 B6R0.3 CC(CN)N(C)C Z367452450 [0,2,0,0,0,0|1,0,0]=3 308 B6R0.3 CC(CO)C(=O)O Z431541400 [0,2,0,0,0,0|1,0,0]=3 309 B6R0.3 CC(N)C(C)CO Z1203581847 [0,2,0,0,0,0|0,0,0]=2 310 B6R0.3 CC(O)C(N)CN Z1250080890 [0,2,0,0,0,0|0,0,0]=2 311 B6R0.3 CCC(C)C(=N)N Z823287482 [0,2,0,0,0,0|1,0,1]=4 312 B6R0.3 CCC(C)C(=O)N Z270978420 [0,2,0,0,0,0|1,0,1]=4 313 B6R0.3 CCC(C)C(=O)O Z237374874 [0,2,0,0,0,0|1,0,0]=3 314 B6R0.3 CCC(C)C(C)N Z335455612 [0,2,0,0,0,0|1,0,0]=3 315 B6R0.3 CCC(N)C(=O)O Z104495144 [0,2,0,0,0,0|1,0,1]=4 316 B6R0.3 CCC(N)C(C)C Z823287438 [0,2,0,0,0,0|1,0,0]=3 317 B6R0.3 CCC(O)C(=O)N Z965049008 [0,2,0,0,0,0|0,0,1]=3 318 B6R0.3 CCC(O)C(=O)O Z246073650 [0,2,0,0,0,0|1,0,1]=4 319 B6R0.3 CCC(O)C(C)C Z445987082 [0,2,0,0,0,0|1,0,0]=3 320 B6R0.3 CCC(O)C(C)O Z1251352132 [0,2,0,0,0,0|1,0,0]=3 321 B6R0.3 CC[C@@H](N)C(=O)O Z904976986 [0,2,0,0,0,0|1,0,1]=4 322 B6R0.3 CC[C@H](C)C(=O)O Z1205493564 [0,2,0,0,0,0|1,0,0]=3 323 B6R0.3 CC[C@H](N)C(=O)O Z1741965569 [0,2,0,0,0,0|1,0,1]=4 324 B6R0.3 CN(C)C(=N)CN Z220638406 [0,2,0,0,0,0|1,0,1]=4 325 B6R0.3 CN(C)C(=O)CN Z54751082 [0,2,0,0,0,0|0,0,2]=4 326 B6R0.3 CNC(=O)C(C)Cl Z104346638 [0,2,0,0,0,0|1,0,1]=4 327 B6R0.3 CNC(=O)C(C)N Z105197440 [0,2,0,0,0,0|0,0,2]=4 328 B6R0.3 CNC(=O)C(C)O Z431951884 [0,2,0,0,0,0|0,0,1]=3 329 B6R0.3 CNC(=O)[C@@H](C)N Z1346385420 [0,2,0,0,0,0|0,0,2]=4 330 B6R0.3 CNC(=O)[C@H](C)N Z1449756238 [0,2,0,0,0,0|0,0,2]=4 331 B6R0.3 CNC(C)C(=O)O Z1278590830 [0,2,0,0,0,0|1,0,1]=4 332 B6R0.3 CNC(C)C(C)C Z139701846 [0,2,0,0,0,0|1,0,0]=3 333 B6R0.3 CNC(C)C(F)F Z4086726897 [0,2,0,0,0,0|2,0,0]=4 334 B6R0.3 CN[C@@H](C)C(=O)N Z2143576643 [0,2,0,0,0,0|1,0,1]=4 335 B6R0.3 COC(=O)C(C)N Z56968898 [0,2,0,0,0,0|0,0,2]=4 336 B6R0.3 COC(C)C(=N)N Z1365534351 [0,2,0,0,0,0|0,0,1]=3 337 B6R0.3 COC(C)C(=O)C Z447898138 [0,2,0,0,0,0|1,0,1]=4 338 B6R0.3 COC(C)C(=O)N Z223645218 [0,2,0,0,0,0|0,0,1]=3 339 B6R0.3 COC(C)C(=O)O Z316258898 [0,2,0,0,0,0|1,0,1]=4 340 B6R0.3 COC(C)[C@@H](C)N Z2160914955 [0,2,0,0,0,0|0,0,0]=2 341 B6R0.3 COC(C)[C@H](C)N Z1795817829 [0,2,0,0,0,0|0,0,0]=2 342 B6R0.3 CSC(C)C(=N)N Z5622504221 [0,2,0,0,0,0|0,1,1]=4 343 B6R0.3 CSC(C)C(=O)O Z149191750 [0,2,0,0,0,0|2,0,0]=4 344 B6R0.3 CSC(C)C(C)O Z1273036711 [0,2,0,0,0,0|1,0,0]=3 345 B6R0.3 NC(CO)C(=O)O Z57396986 [0,2,0,0,0,0|1,0,1]=4 346 B6R0.3 NC(CS)C(=O)O Z966690626 [0,2,0,0,0,0|1,0,1]=4 347 B6R0.3 NCC(N)C(=O)O Z2465863279 [0,2,0,0,0,0|1,0,0]=3 348 B6R0.3 NCC(O)C(=O)N Z1889902538 [0,2,0,0,0,0|0,0,1]=3 349 B6R0.3 NC[C@@H](F)C(=O)O Z2695741427 [0,2,0,0,0,0|1,0,0]=3 350 B6R0.3 N[C@@H](CO)C(=O)O Z756440058 [0,2,0,0,0,0|1,0,1]=4 351 B6R0.3 N[C@@H](CS)C(=O)O Z760035162 [0,2,0,0,0,0|1,0,1]=4 352 B6R0.3 N[C@H](CO)C(=O)O Z1070067572 [0,2,0,0,0,0|1,0,1]=4 353 B6R0.4 C#CCCC(C)O Z854048672 [0,2,0,0,0,0|1,0,0]=3 354 B6R0.4 C#CCNC(C)C Z2855995857 [0,2,0,0,0,0|2,0,0]=4 355 B6R0.4 C=CCCC(C)N Z3681295487 [0,2,0,0,0,0|2,0,0]=4 356 B6R0.4 C=CCNC(C)C Z607822478 [0,2,0,0,0,0|2,0,0]=4 357 B6R0.4 C=COCC(C)C Z916978390 [0,2,0,0,0,0|2,0,0]=4 358 B6R0.4 CC#CCC(C)N Z975788700 [0,2,0,0,0,0|2,0,0]=4 359 B6R0.4 CC(=O)OCCN Z1973465551 [0,2,0,0,0,0|0,0,2]=4 360 B6R0.4 CC(C)CCCN Z992716898 [0,2,0,0,0,0|1,0,0]=3 361 B6R0.4 CC(C)CN=C=S Z87001659 [0,2,0,0,0,0|1,0,1]=4 362 B6R0.4 CC(C)NCC#N Z224190250 [0,2,0,0,0,0|1,0,1]=4 363 B6R0.4 CC(C)NCCN Z3375885739 [0,2,0,0,0,0|1,0,0]=3 364 B6R0.4 CC(C)NCCO Z137800940 [0,2,0,0,0,0|2,0,0]=4 365 B6R0.4 CC(C)OCC#N Z295206482 [0,2,0,0,0,0|1,0,1]=4 366 B6R0.4 CC(C)OCCN Z1688198421 [0,2,0,0,0,0|1,0,0]=3 367 B6R0.4 CC(C)OCCO Z104478444 [0,2,0,0,0,0|2,0,0]=4 368 B6R0.4 CC(C)SCCN Z2092369402 [0,2,0,0,0,0|1,0,0]=3 369 B6R0.4 CC(N)CCCN Z2230911100 [0,2,0,0,0,0|1,0,0]=3 370 B6R0.4 CC(N)CCCO Z1203578676 [0,2,0,0,0,0|2,0,0]=4 371 B6R0.4 CC(O)CCCN Z1198178891 [0,2,0,0,0,0|0,0,0]=2 372 B6R0.4 CCCCC(C)N Z3300506318 [0,2,0,0,0,0|2,0,0]=4 373 B6R0.4 CCNCC(=O)O Z744593094 [0,2,0,0,0,0|1,0,1]=4 374 B6R0.4 CCNCC(C)C Z380844664 [0,2,0,0,0,0|1,0,0]=3 375 B6R0.4 CCNCC(C)O Z138692768 [0,2,0,0,0,0|0,0,0]=2 376 B6R0.4 CCNCC(F)F Z1691545150 [0,2,0,0,0,0|2,0,0]=4 377 B6R0.4 CCOCC(C)N Z839575202 [0,2,0,0,0,0|2,0,0]=4 378 B6R0.4 CCSCC(C)N Z1203641186 [0,2,0,0,0,0|2,0,0]=4 379 B6R0.4 CNCCC(=O)C Z1536943318 [0,2,0,0,0,0|0,0,2]=4 380 B6R0.4 CNCCC(C)C Z607822512 [0,2,0,0,0,0|1,0,0]=3 381 B6R0.4 CNCCC(C)O Z1203731868 [0,2,0,0,0,0|0,0,0]=2 382 B6R0.4 CNCCN(C)C Z138123106 [0,2,0,0,0,0|2,0,0]=4 383 B6R0.4 COCCC(C)N Z361881180 [0,2,0,0,0,0|2,0,0]=4 384 B6R0.4 COCCC(C)O Z818738042 [0,2,0,0,0,0|1,0,0]=3 385 B6R0.4 NCCCC(=O)O Z104475620 [0,2,0,0,0,0|1,0,1]=4 386 B6R0.4 NCCCC(F)F Z1198165810 [0,2,0,0,0,0|2,0,0]=4 387 B6R0.4 NCCCS(=O)O Z1203579399 [0,2,0,0,0,0|2,0,0]=4 388 B6R0.4 NCCSC(F)F Z2681247712 [0,2,0,0,0,0|2,0,0]=4 389 B6R0.5 C#CCC(C)(C)N Z3210767531 [0,2,0,0,0,0|2,0,0]=4 390 B6R0.5 C#CCC(C)(C)O Z1098923701 [0,2,0,0,0,0|1,0,0]=3 391 B6R0.5 CC(C)(F)CCN Z2515207542 [0,2,0,0,0,0|1,0,0]=3 392 B6R0.5 CC(C)(N)CCF Z4297373689 [0,2,0,0,0,0|2,0,0]=4 393 B6R0.5 CC(C)(N)CCN Z2218555716 [0,2,0,0,0,0|1,0,0]=3 394 B6R0.5 CC(C)(N)CCO Z1198183553 [0,2,0,0,0,0|2,0,0]=4 395 B6R0.5 CC(C)(O)CC#N Z1182322175 [0,2,0,0,0,0|0,0,1]=3 396 B6R0.5 CC(F)(F)CCN Z2230911674 [0,2,0,0,0,0|1,0,0]=3 397 B6R0.5 CCCC(C)(C)N Z1262250787 [0,2,0,0,0,0|2,0,0]=4 398 B6R0.5 CCCC(C)(C)O Z449374450 [0,2,0,0,0,0|1,0,0]=3 399 B6R0.5 CNCC(C)(C)C Z992717054 [0,2,0,0,0,0|1,0,0]=3 400 B6R0.5 CNCC(C)(C)O Z600453550 [0,2,0,0,0,0|0,0,0]=2 401 B6R0.5 CNCC(F)(F)Br Z2168496104 [0,2,0,0,0,0|2,0,0]=4 402 B6R0.5 CNCC(F)(F)Cl Z4410130964 [0,2,0,0,0,0|2,0,0]=4 403 B6R0.5 COCC(C)(C)N Z1258578421 [0,2,0,0,0,0|2,0,0]=4 404 B6R0.5 CS(=O)(=O)CCN Z265638750 [0,2,0,0,0,0|1,0,1]=4 405 B6R0.5 NCCC(F)(F)F Z1741959014 [0,2,0,0,0,0|2,0,0]=4 406 B6R0.5 NCCS(=O)(=O)O Z248489432 [0,2,0,0,0,0|2,0,0]=4 407 B6R0.8 C#CC(C)(C)OC Z1198169184 [0,2,0,0,0,0|1,0,1]=4 408 B6R0.8 C#CC(C)(O)CC Z1251192957 [0,2,0,0,0,0|1,0,0]=3 409 B6R0.8 C=CC(C)(N)CC Z3042074270 [0,2,0,0,0,0|2,0,0]=4 410 B6R0.8 CC(C)(CN)CO Z3247605488 [0,2,0,0,0,0|0,0,0]=2 411 B6R0.8 CC(N)(C#N)CO Z2082998957 [0,2,0,0,0,0|0,0,2]=4 412 B6R0.8 CCC(C)(C)C#N Z1079179196 [0,2,0,0,0,0|2,0,0]=4 413 B6R0.8 CCC(C)(C)CO Z995039230 [0,2,0,0,0,0|1,0,0]=3 414 B6R0.8 CCC(C)(C)NC Z335250498 [0,2,0,0,0,0|2,0,0]=4 415 B6R0.8 CCC(C)(N)CC Z1267881628 [0,2,0,0,0,0|2,0,0]=4 416 B6R0.8 CCC(C)(N)CN Z425861002 [0,2,0,0,0,0|1,0,0]=3 417 B6R0.8 CCC(C)(N)CO Z734150850 [0,2,0,0,0,0|1,0,0]=3 418 B6R0.8 CCC(C)(O)CC Z449374480 [0,2,0,0,0,0|1,0,0]=3 419 B6R0.8 CCC(C)(O)CN Z419085064 [0,2,0,0,0,0|0,0,0]=2 420 B6R0.8 CNC(C)(C)CN Z1511495256 [0,2,0,0,0,0|1,0,0]=3 421 B6R0.8 CNC(C)(C)CO Z425727892 [0,2,0,0,0,0|2,0,0]=4 422 B6R0.8 COC(C)(C)CN Z1266933932 [0,2,0,0,0,0|0,0,0]=2 423 B6R0.8 COC(C)(C)CO Z1255430497 [0,2,0,0,0,0|1,0,0]=3 424 B6R0.8 CSC(C)(C)CN Z1203639115 [0,2,0,0,0,0|0,1,0]=3 425 B6R0.9 C#CC(CC)CN Z5851994475 [0,2,0,0,0,0|1,0,0]=3 426 B6R0.9 CCC(C#N)NC Z2472860014 [0,2,0,0,0,0|2,0,0]=4 427 B6R0.9 CCC(C#N)OC Z851010100 [0,2,0,0,0,0|0,0,2]=4 428 B6R0.9 CCC(CC)NC Z1262254286 [0,2,0,0,0,0|2,0,0]=4 429 B6R0.9 CCC(CN)OC Z2168541798 [0,2,0,0,0,0|0,0,0]=2 430 B6R0.9 CCC(CO)CO Z1198261463 [0,2,0,0,0,0|1,0,0]=3 431 B6R0.9 CCC(CO)OC Z1255373272 [0,2,0,0,0,0|1,0,0]=3 432 B6R0.9 CNC(CO)CO Z1939437574 [0,2,0,0,0,0|1,0,0]=3 433 B6R0.9 COC(C#N)OC Z1255464222 [0,2,0,0,0,0|0,0,2]=4 434 B6R0.7 CC(=O)C(C)(C)O Z939661728 [0,2,0,0,0,0|1,0,1]=4 435 B6R0.7 CC(C)(Br)C(=O)N Z1255458262 [0,2,0,0,0,0|1,0,1]=4 436 B6R0.7 CC(C)(C)C(=N)N Z56771178 [0,2,0,0,0,0|1,0,1]=4 437 B6R0.7 CC(C)(C)C(=O)N Z56895677 [0,2,0,0,0,0|1,0,1]=4 438 B6R0.7 CC(C)(C)C(=S)N Z278180216 [0,2,0,0,0,0|1,0,1]=4 439 B6R0.7 CC(C)(N)C(=O)N Z752371206 [0,2,0,0,0,0|1,0,1]=4 440 B6R0.7 CC(C)(N)C(=O)O Z317024776 [0,2,0,0,0,0|1,0,1]=4 441 B6R0.7 CC(C)(O)C(=N)N Z3244745533 [0,2,0,0,0,0|0,0,1]=3 442 B6R0.7 CC(C)(O)C(F)F Z1413814779 [0,2,0,0,0,0|1,0,0]=3 443 B6R0.7 CC(C)C(C)(C)N Z1270446314 [0,2,0,0,0,0|1,0,0]=3 444 B6R0.7 CC(C)S(=O)(=O)N Z599618876 [0,2,0,0,0,0|2,0,0]=4 445 B6R0.7 CC(N)C(C)(C)F Z3487099771 [0,2,0,0,0,0|1,0,0]=3 446 B6R0.7 CC(N)C(C)(F)F Z2234631218 [0,2,0,0,0,0|1,0,0]=3 447 B6R0.7 CC(N)C(F)(F)F Z2120060909 [0,2,0,0,0,0|2,0,0]=4 448 B6R0.7 CC(O)C(C)(C)N Z3688848535 [0,2,0,0,0,0|0,0,0]=2 449 B6R0.7 CC(O)S(=O)(=O)[O-] Z1198151272 [0,2,0,0,0,0|2,0,0]=4 450 B6R1.2 C=C1CCNC1 Z3019986853 [0,1,0,1,0,0|1,0,1]=4 451 B6R1.2 C=C1CNOC1 Z3037884222 [0,1,0,1,0,0|0,0,2]=4 452 B6R1.2 CC1=CCNC1 Z1203734447 [0,1,0,1,0,0|1,0,1]=4 453 B6R1.2 CC1CCCN1 Z1274177652 [0,1,0,1,0,0|2,0,0]=4 454 B6R1.2 CC1CCNC1 Z729771722 [0,1,0,1,0,0|1,0,0]=3 455 B6R1.2 CC1CNNC1 Z4953319766 [0,1,0,1,0,0|1,0,0]=3 456 B6R1.2 FC1CCNC1 Z1139751347 [0,1,0,1,0,0|1,0,0]=3 457 B6R1.2 NC1CC=CC1 Z1416200863 [0,1,0,1,0,0|2,0,0]=4 458 B6R1.2 NC1CCOC1 Z802544198 [0,1,0,1,0,0|2,0,0]=4 459 B6R1.2 NC1CCSC1 Z1267885911 [0,1,0,1,0,0|2,0,0]=4 460 B6R1.2 O=C1CCNC1 Z1741976513 [0,1,0,1,0,0|0,0,2]=4 461 B6R1.2 OC1C=CCC1 Z1255485846 [0,1,0,1,0,0|1,0,1]=4 462 B6R1.2 OC1CCOC1 Z1124541349 [0,1,0,1,0,0|1,0,0]=3 463 B6R1.2 OC1CCSC1 Z335244836 [0,1,0,1,0,0|1,0,0]=3 464 B6R1.2 O[C@@H]1CCNC1 Z1263714129 [0,1,0,1,0,0|0,0,0]=2 465 B6R1.2 O[C@H]1CCNC1 Z1263714116 [0,1,0,1,0,0|0,0,0]=2 466 B6R1.3 ClCCC1CO1 Z1205657512 [0,1,0,1,0,0|1,0,0]=3 467 B6R1.3 NCCC1CC1 Z1267773823 [0,1,0,1,0,0|1,0,0]=3 468 B6R1.3 O=CCC1CC1 Z905066058 [0,1,0,1,0,0|2,0,0]=4 469 B6R1.3 OCCC1CC1 Z826525694 [0,1,0,1,0,0|2,0,0]=4 470 B6R1.5 CC1CC(C1)N Z1357823942 [0,1,0,1,0,0|1,0,0]=3 471 B6R1.5 CC1CC(N1)C Z2143576622 [0,1,0,1,0,0|2,0,0]=4 472 B6R1.5 CN1CC(C1)N Z1741969265 [0,1,0,1,0,0|1,0,0]=3 473 B6R1.5 NC1CC(C1)N Z1511513968 [0,1,0,1,0,0|1,0,0]=3 474 B6R1.5 N[C@H]1C[C@@H](C1)N Z3244521251 [0,1,0,1,0,0|1,0,0]=3 475 B6R1.5 N[C@H]1C[C@H](C1)F Z3015579885 [0,1,0,1,0,0|1,0,0]=3 476 B6R1.5 N[C@H]1C[C@H](C1)O Z1416282421 [0,1,0,1,0,0|0,0,0]=2 477 B6R1.5 O[C@H]1C[C@H](C1)O Z2065357735 [0,1,0,1,0,0|1,0,0]=3 478 B6R1.8 C=C1CC1CN Z3454021936 [0,1,0,1,0,0|1,0,0]=3 479 B6R1.8 CC1CC1C#N Z1079178904 [0,1,0,1,0,0|1,0,1]=4 480 B6R1.8 CC1CC1C=O Z1079442440 [0,1,0,1,0,0|1,0,1]=4 481 B6R1.8 CC1CC1CN Z415636622 [0,1,0,1,0,0|1,0,0]=3 482 B6R1.8 CC1CC1CO Z397587430 [0,1,0,1,0,0|1,0,0]=3 483 B6R1.8 CC1OC1CCl Z1205657581 [0,1,0,1,0,0|1,0,0]=3 484 B6R1.8 C[C@H]1C[C@@H]1C=O Z1511765506 [0,1,0,1,0,0|1,0,1]=4 485 B6R1.8 C[C@H]1C[C@H]1C=O Z1511760860 [0,1,0,1,0,0|1,0,1]=4 486 B6R1.8 N[C@@H]1C[C@H]1CF Z3085640372 [0,1,0,1,0,0|1,0,0]=3 487 B6R1.8 O=CC1CC1Cl Z1262480603 [0,1,0,1,0,0|1,0,1]=4 488 B6R1.8 O=C[C@@H]1C[C@H]1Cl Z4541248007 [0,1,0,1,0,0|1,0,1]=4 489 B6R1.9 CC1(CC1N)C Z1259335876 [0,1,0,1,0,0|1,0,0]=3 490 B6R1.9 CC1OC1(C)C Z1255419606 [0,1,0,1,0,0|1,0,0]=3 491 B6R1.10 CC1(CCC1)N Z1741969618 [0,1,0,1,0,0|2,0,0]=4 492 B6R1.10 CC1(CCC1)O Z1241455013 [0,1,0,1,0,0|1,0,0]=3 493 B6R1.10 CC1(CCN1)C Z1198749898 [0,1,0,1,0,0|1,0,0]=3 494 B6R1.10 CC1(CNC1)C Z2142036999 [0,1,0,1,0,0|1,0,0]=3 495 B6R1.10 CC1(CNC1)F Z1964347522 [0,1,0,1,0,0|1,0,0]=3 496 B6R1.11 C=C(Cl)C1CO1 Z2574917304 [0,1,0,1,0,0|1,0,1]=4 497 B6R1.11 CC(C)C1CO1 Z1020679856 [0,1,0,1,0,0|1,0,0]=3 498 B6R1.11 CC(N)C1CC1 Z89283349 [0,1,0,1,0,0|1,0,0]=3 499 B6R1.11 N=C(N)C1CC1 Z935140732 [0,1,0,1,0,0|1,0,1]=4 500 B6R1.4 CC1CCC1N Z2082999653 [0,1,0,1,0,0|1,0,0]=3 501 B6R1.6 CCC1CNC1 Z1203733931 [0,1,0,1,0,0|1,0,0]=3 502 B6R1.6 CNC1CCC1 Z1263820270 [0,1,0,1,0,0|2,0,0]=4 503 B6R1.6 COC1CNC1 Z1267773781 [0,1,0,1,0,0|0,0,0]=2 504 B6R1.6 N#CC1CCC1 Z406694072 [0,1,0,1,0,0|2,0,0]=4 505 B6R1.6 NCC1CCC1 Z381061564 [0,1,0,1,0,0|1,0,0]=3 506 B6R1.6 NCC1CNC1 Z1198274908 [0,1,0,1,0,0|1,0,0]=3 507 B6R1.6 O=CC1CCC1 Z1079442452 [0,1,0,1,0,0|1,0,1]=4 508 B6R1.7 C#CC1(CC1)C Z1861999732 [0,1,0,1,0,0|2,0,0]=4 509 B6R1.7 CC1(CC1)C=O Z1263714317 [0,1,0,1,0,0|1,0,1]=4 510 B6R1.7 CC1(CC1)CN Z1335657802 [0,1,0,1,0,0|1,0,0]=3 511 B6R1.7 CC1(CO1)CCl Z1201618277 [0,1,0,1,0,0|1,0,0]=3 512 B6R1.7 CCC1(CC1)N Z2234631229 [0,1,0,1,0,0|2,0,0]=4 513 B6R1.7 CCC1(CO1)C Z1020679924 [0,1,0,1,0,0|1,0,0]=3 514 B6R1.7 CNC1(CC1)C Z2310723089 [0,1,0,1,0,0|2,0,0]=4 515 B6R1.7 NC1(CC1)CO Z1741975623 [0,1,0,1,0,0|2,0,0]=4 516 B6R1.12 C[C@H]1C([C@@H]1C)N Z4052355194 [0,1,0,1,0,0|1,0,0]=3 517 B6R1.12 C[C@H]1[C@H]([C@@H]1N)C Z3847494912 [0,1,0,1,0,0|1,0,0]=3