0 B4R0.1 C#CC(=O)O Z104493798 [0,0,0,0,0,0|3,0,0]=3 1 B4R0.1 C#CC(C)O Z1251193370 [0,0,0,0,0,0|2,0,1]=3 2 B4R0.1 C=C(Br)CN Z600439032 [0,0,0,0,0,0|2,0,1]=3 3 B4R0.1 C=C(Br)CO Z600440434 [0,0,0,0,0,0|3,0,1]=4 4 B4R0.1 C=CC(=C)C Z104474660 [0,0,0,0,0,0|3,0,0]=3 5 B4R0.1 C=CC(=O)O Z57127944 [0,0,0,0,0,0|3,0,0]=3 6 B4R0.1 C=CC(C)N Z1446855743 [0,0,0,0,0,0|3,0,1]=4 7 B4R0.1 CC(=O)C=O Z104495190 [0,0,0,0,0,0|2,0,1]=3 8 B4R0.1 CC(=O)CN Z1262398366 [0,0,0,0,0,0|1,0,1]=2 9 B4R0.1 CC(=O)NN Z58981787 [0,0,0,0,0,0|0,0,2]=2 10 B4R0.1 CC(=O)NO Z59181917 [0,0,0,0,0,0|1,0,2]=3 11 B4R0.1 CC(C)NO Z1198161074 [0,0,0,0,0,0|2,0,2]=4 12 B4R0.1 CC(F)CN Z2941405027 [0,0,0,0,0,0|2,0,1]=3 13 B4R0.1 CC(N)CF Z2096088772 [0,0,0,0,0,0|3,0,1]=4 14 B4R0.1 CC(N)CN Z104474490 [0,0,0,0,0,0|2,0,1]=3 15 B4R0.1 CC(O)CN Z104477092 [0,0,0,0,0,0|1,0,1]=2 16 B4R0.1 CC(O)CO Z106938868 [0,0,0,0,0,0|2,0,1]=3 17 B4R0.1 CCC(=N)N Z1741969146 [0,0,0,0,0,0|4,0,0]=4 18 B4R0.1 CCC(=O)N Z33546482 [0,0,0,0,0,0|3,0,1]=4 19 B4R0.1 CCC(=O)O Z104474154 [0,0,0,0,0,0|3,0,0]=3 20 B4R0.1 CCC(=S)N Z241091446 [0,0,0,0,0,0|3,1,0]=4 21 B4R0.1 CCC(C)N Z104472234 [0,0,0,0,0,0|3,0,1]=4 22 B4R0.1 CC[C@@H](C)O Z1203162396 [0,0,0,0,0,0|2,0,1]=3 23 B4R0.1 CN(C)C#N Z1255394988 [0,0,0,0,0,0|3,0,1]=4 24 B4R0.1 CN(C)N=O Z1255485177 [0,0,0,0,0,0|3,0,0]=3 25 B4R0.1 CNC(=N)C Z2146515751 [0,0,0,0,0,0|2,0,1]=3 26 B4R0.1 CNC(=O)C Z32016274 [0,0,0,0,0,0|1,0,2]=3 27 B4R0.1 CNC(=O)N Z56932989 [0,0,0,0,0,0|2,0,2]=4 28 B4R0.1 COC(=N)N Z1741976783 [0,0,0,0,0,0|4,0,0]=4 29 B4R0.1 COC(=O)N Z104476722 [0,0,0,0,0,0|3,0,1]=4 30 B4R0.1 CSC(=N)N Z1741980405 [0,0,0,0,0,0|4,0,0]=4 31 B4R0.1 C[C@@H](N)CN Z3234812272 [0,0,0,0,0,0|2,0,1]=3 32 B4R0.1 C[C@@H](N)CO Z346076140 [0,0,0,0,0,0|3,0,1]=4 33 B4R0.1 C[C@@H](O)CO Z1255486379 [0,0,0,0,0,0|2,0,1]=3 34 B4R0.1 C[C@H](N)CN Z1741977335 [0,0,0,0,0,0|2,0,1]=3 35 B4R0.1 C[C@H](O)CN Z1203577967 [0,0,0,0,0,0|1,0,1]=2 36 B4R0.1 C[C@H](O)CO Z1255449993 [0,0,0,0,0,0|2,0,1]=3 37 B4R0.1 ClC=C(Cl)Cl Z104473870 [0,0,0,0,0,0|4,0,0]=4 38 B4R0.1 N=C(N)CCl Z204878288 [0,0,0,0,0,0|4,0,0]=4 39 B4R0.1 N=C(N)CN Z3798800325 [0,0,0,0,0,0|3,0,0]=3 40 B4R0.1 N=C(N)CO Z1259341033 [0,0,0,0,0,0|4,0,0]=4 41 B4R0.1 N=C(N)NN Z1259217988 [0,0,0,0,0,0|2,0,1]=3 42 B4R0.1 NC(=O)CF Z104475768 [0,0,0,0,0,0|3,0,1]=4 43 B4R0.1 NC(=O)CI Z1080376832 [0,0,0,0,0,0|3,0,1]=4 44 B4R0.1 NC(=O)CO Z424788508 [0,0,0,0,0,0|3,0,1]=4 45 B4R0.1 NC(=O)NO Z1203577934 [0,0,0,0,0,0|2,0,2]=4 46 B4R0.1 NCC(=O)N Z1262254285 [0,0,0,0,0,0|2,0,1]=3 47 B4R0.1 NCC(=O)O Z955123660 [0,0,0,0,0,0|2,0,0]=2 48 B4R0.1 NCC(F)F Z1295543893 [0,0,0,0,0,0|3,0,1]=4 49 B4R0.1 NNC(=O)N Z104473922 [0,0,0,0,0,0|1,0,2]=3 50 B4R0.1 O=C(O)CBr Z104473018 [0,0,0,0,0,0|3,0,0]=3 51 B4R0.1 O=C(O)CO Z104473274 [0,0,0,0,0,0|3,0,0]=3 52 B3R0.1 C=CCO Z104473976 [1,0,0,0,0,0|2,0,1]=4 53 B3R0.1 I/C=C/I Z2417817184 [1,0,0,0,0,0|3,0,0]=4 54 B3R0.1 N#CCN Z1210869368 [1,0,0,0,0,0|2,0,1]=4 55 B3R0.1 N/C=N/O Z156964716 [1,0,0,0,0,0|2,0,0]=3 56 B3R0.1 NCCF Z1966571823 [1,0,0,0,0,0|2,0,1]=4 57 B3R0.1 NCCN Z104473714 [1,0,0,0,0,0|2,0,1]=4 58 B3R0.1 NCCO Z104473700 [1,0,0,0,0,0|1,0,1]=3 59 B3R0.1 NCCS Z104474494 [1,0,0,0,0,0|1,1,1]=4 60 B3R0.1 OCCS Z104473584 [1,0,0,0,0,0|2,0,1]=4 61 B3R0.2 CC(=O)N Z33546370 [1,0,0,0,0,0|0,0,1]=2 62 B3R0.2 CC(=O)O Z1954803614 [1,0,0,0,0,0|1,0,0]=2 63 B3R0.2 CC(=O)[S-] Z1142554016 [1,0,0,0,0,0|1,0,1]=3 64 B3R0.2 NC(=O)N Z104473900 [1,0,0,0,0,0|1,0,1]=3 65 B5R0.1 C#CCC(=O)O Z295890060 [0,1,0,0,0,0|3,0,0]=4 66 B5R0.1 C#CCC(C)O Z969111576 [0,1,0,0,0,0|2,0,1]=4 67 B5R0.1 C/C(=C\C#N)/[O-] Z90662985 [0,1,0,0,0,0|1,0,2]=4 68 B5R0.1 C/C(=N/C#N)/N Z2573128414 [0,1,0,0,0,0|1,0,1]=3 69 B5R0.1 C/C=C/C(=O)O Z104476026 [0,1,0,0,0,0|3,0,0]=4 70 B5R0.1 C=C(C)CCN Z1203582475 [0,1,0,0,0,0|2,0,0]=3 71 B5R0.1 CC(=CC#N)C Z851014248 [0,1,0,0,0,0|2,0,1]=4 72 B5R0.1 CC(=CCN)C Z1827897919 [0,1,0,0,0,0|2,0,0]=3 73 B5R0.1 CC(=O)CCO Z906206900 [0,1,0,0,0,0|2,0,1]=4 74 B5R0.1 CC(C)N=C=S Z56964589 [0,1,0,0,0,0|2,0,1]=4 75 B5R0.1 CC(O)CC#N Z847151284 [0,1,0,0,0,0|1,0,2]=4 76 B5R0.1 CC(O)CCN Z802904114 [0,1,0,0,0,0|1,0,1]=3 77 B5R0.1 CC(O)CCO Z104473530 [0,1,0,0,0,0|2,0,1]=4 78 B5R0.1 CCCC(=O)O Z104495380 [0,1,0,0,0,0|3,0,0]=4 79 B5R0.1 CNCC(=O)N Z415678308 [0,1,0,0,0,0|2,0,1]=4 80 B5R0.1 CNCC(=O)O Z104480276 [0,1,0,0,0,0|2,0,0]=3 81 B5R0.1 CNCC(C)C Z951367674 [0,1,0,0,0,0|2,0,1]=4 82 B5R0.1 CNCC(C)N Z1413780485 [0,1,0,0,0,0|2,0,1]=4 83 B5R0.1 CNCC(C)O Z138692700 [0,1,0,0,0,0|1,0,1]=3 84 B5R0.1 COCC(=O)O Z104477404 [0,1,0,0,0,0|3,0,0]=4 85 B5R0.1 COCC(C)O Z825742124 [0,1,0,0,0,0|2,0,1]=4 86 B5R0.1 CS(=O)CCN Z802568576 [0,1,0,0,0,0|2,0,1]=4 87 B5R0.1 CSCC(C)O Z732208306 [0,1,0,0,0,0|2,0,1]=4 88 B5R0.1 C[C@@H](O)CCN Z1860991703 [0,1,0,0,0,0|1,0,1]=3 89 B5R0.1 N#CCC(=O)O Z104476112 [0,1,0,0,0,0|2,0,1]=4 90 B5R0.1 NCC=C(Cl)Cl Z2469606492 [0,1,0,0,0,0|3,0,0]=4 91 B5R0.1 NCC=C(F)F Z4511316967 [0,1,0,0,0,0|3,0,0]=4 92 B5R0.1 NCCC(=O)N Z415728050 [0,1,0,0,0,0|2,0,1]=4 93 B5R0.1 NCCC(=O)O Z57127544 [0,1,0,0,0,0|2,0,0]=3 94 B5R0.1 NOCC(=O)O Z90662171 [0,1,0,0,0,0|2,0,0]=3 95 B5R0.1 O=C(O)/C=C/I Z2327124440 [0,1,0,0,0,0|3,0,0]=4 96 B5R0.1 O=C(O)CCCl Z203045320 [0,1,0,0,0,0|3,0,0]=4 97 B5R0.1 O=C(O)CCS Z104474322 [0,1,0,0,0,0|3,0,0]=4 98 B5R0.1 O=C(O)CNO Z1205493750 [0,1,0,0,0,0|2,0,0]=3 99 B5R0.3 C/N=C(\C)/NC Z1431002714 [0,1,0,0,0,0|2,0,0]=3 100 B5R0.3 C/N=C(\N)/NC Z1089996530 [0,1,0,0,0,0|2,0,0]=3 101 B5R0.3 C/N=C(\N)/SC Z107728770 [0,1,0,0,0,0|2,0,0]=3 102 B5R0.3 C=C(CC)CN Z2238934536 [0,1,0,0,0,0|2,0,0]=3 103 B5R0.3 CC(C#N)CO Z406338220 [0,1,0,0,0,0|1,0,2]=4 104 B5R0.3 CC(CN)CN Z951173758 [0,1,0,0,0,0|2,0,1]=4 105 B5R0.3 CC(CN)CO Z406342068 [0,1,0,0,0,0|1,0,1]=3 106 B5R0.3 CC(CO)CS Z1262475362 [0,1,0,0,0,0|2,0,1]=4 107 B5R0.3 CC/C(=N/O)/N Z241067842 [0,1,0,0,0,0|2,0,0]=3 108 B5R0.3 CCC(=O)CC Z104476878 [0,1,0,0,0,0|2,0,1]=4 109 B5R0.3 CCC(=O)CN Z1203579016 [0,1,0,0,0,0|1,0,1]=3 110 B5R0.3 CCC(=O)NN Z56886418 [0,1,0,0,0,0|0,0,2]=3 111 B5R0.3 CCC(C)CN Z2350903977 [0,1,0,0,0,0|2,0,1]=4 112 B5R0.3 CCC(N)CN Z1263714131 [0,1,0,0,0,0|2,0,1]=4 113 B5R0.3 CCC(O)C#N Z419078094 [0,1,0,0,0,0|1,0,2]=4 114 B5R0.3 CCC(O)CN Z419084746 [0,1,0,0,0,0|1,0,1]=3 115 B5R0.3 CCC(O)CO Z600450538 [0,1,0,0,0,0|2,0,1]=4 116 B5R0.3 CCN(C)N=O Z1198147516 [0,1,0,0,0,0|3,0,0]=4 117 B5R0.3 CNC(=N)NN Z2301534051 [0,1,0,0,0,0|1,0,1]=3 118 B5R0.3 CNC(=O)CCl Z56891219 [0,1,0,0,0,0|1,0,2]=4 119 B5R0.3 CNC(=O)CN Z57981102 [0,1,0,0,0,0|1,0,1]=3 120 B5R0.3 CNC(=O)CO Z431952700 [0,1,0,0,0,0|1,0,2]=4 121 B5R0.3 CNC(=O)CS Z1203730878 [0,1,0,0,0,0|1,0,2]=4 122 B5R0.3 CNC(C)CN Z941154208 [0,1,0,0,0,0|2,0,1]=4 123 B5R0.3 COC(=O)CN Z57042020 [0,1,0,0,0,0|1,0,1]=3 124 B5R0.3 COC(C)CN Z1795817756 [0,1,0,0,0,0|1,0,1]=3 125 B5R0.3 COC(C)CO Z1198150719 [0,1,0,0,0,0|2,0,1]=4 126 B5R0.3 CSC(C)CN Z844632970 [0,1,0,0,0,0|1,1,1]=4 127 B5R0.3 CSC(C)CO Z1273053291 [0,1,0,0,0,0|2,0,1]=4 128 B5R0.3 N=C(CN)NO Z223781376 [0,1,0,0,0,0|2,0,0]=3 129 B5R0.3 N=C(NN)NN Z90663781 [0,1,0,0,0,0|2,0,1]=4 130 B5R0.3 NCC(=O)CN Z1198147360 [0,1,0,0,0,0|1,0,1]=3 131 B5R0.3 NCC(F)CN Z2733320873 [0,1,0,0,0,0|2,0,1]=4 132 B5R0.3 NCC(N)CN Z1203578196 [0,1,0,0,0,0|2,0,1]=4 133 B5R0.3 NCC(O)CF Z2311274712 [0,1,0,0,0,0|1,0,1]=3 134 B5R0.3 NNC(=S)NN Z56823019 [0,1,0,0,0,0|1,1,1]=4 135 B5R0.3 O=C(CO)CO Z1255442144 [0,1,0,0,0,0|2,0,1]=4 136 B5R0.3 OC/C(=C/I)/I Z4691071538 [0,1,0,0,0,0|3,0,0]=4 137 B5R0.3 OCC(O)CO Z104473548 [0,1,0,0,0,0|2,0,1]=4 138 B5R0.3 OCC(O)CS Z1255382958 [0,1,0,0,0,0|2,0,1]=4 139 B5R0.4 C#CC(C)(C)O Z1245735173 [0,1,0,0,0,0|2,0,1]=4 140 B5R0.4 CC(C)(C)CN Z291234094 [0,1,0,0,0,0|2,0,1]=4 141 B5R0.4 CC(C)(N)CN Z1266854946 [0,1,0,0,0,0|2,0,1]=4 142 B5R0.4 CC(C)(O)C#N Z104473082 [0,1,0,0,0,0|1,0,2]=4 143 B5R0.4 CC(C)(O)CO Z600454414 [0,1,0,0,0,0|2,0,1]=4 144 B5R0.4 CC(F)(F)CN Z1201623622 [0,1,0,0,0,0|2,0,1]=4 145 B5R0.4 CCC(C)(C)O Z104473496 [0,1,0,0,0,0|2,0,1]=4 146 B5R0.4 CS(=O)(=O)NN Z283687760 [0,1,0,0,0,0|1,0,2]=4 147 B5R0.5 C=C(Cl)C(=O)O Z1201617183 [0,1,0,0,0,0|3,0,0]=4 148 B5R0.5 CC(=C(Cl)Cl)Cl Z1198148250 [0,1,0,0,0,0|3,0,0]=4 149 B5R0.5 CC(=N)N(C)C Z1428159819 [0,1,0,0,0,0|2,0,1]=4 150 B5R0.5 CC(=O)C(=O)O Z104495240 [0,1,0,0,0,0|2,0,1]=4 151 B5R0.5 CC(=O)C(C)N Z1263529525 [0,1,0,0,0,0|1,0,1]=3 152 B5R0.5 CC(Br)C(=O)O Z57127555 [0,1,0,0,0,0|3,0,0]=4 153 B5R0.5 CC(C)C(=N)N Z381357616 [0,1,0,0,0,0|2,0,1]=4 154 B5R0.5 CC(C)C(=O)N Z57046209 [0,1,0,0,0,0|2,0,1]=4 155 B5R0.5 CC(C)C(=O)O Z104473380 [0,1,0,0,0,0|3,0,0]=4 156 B5R0.5 CC(Cl)C(=O)N Z56924427 [0,1,0,0,0,0|2,0,1]=4 157 B5R0.5 CC(Cl)C(=O)O Z147646840 [0,1,0,0,0,0|3,0,0]=4 158 B5R0.5 CC(N)C(=O)N Z54749436 [0,1,0,0,0,0|2,0,1]=4 159 B5R0.5 CC(N)C(=O)O Z57396987 [0,1,0,0,0,0|2,0,0]=3 160 B5R0.5 CC(N)C(C)N Z2335631664 [0,1,0,0,0,0|2,0,1]=4 161 B5R0.5 CC(O)C(=N)N Z2216711526 [0,1,0,0,0,0|1,0,1]=3 162 B5R0.5 CC(O)C(=O)N Z57206008 [0,1,0,0,0,0|1,0,1]=3 163 B5R0.5 CC(O)C(C)O Z104473532 [0,1,0,0,0,0|2,0,1]=4 164 B5R0.5 CC(S)C(=O)O Z104477082 [0,1,0,0,0,0|3,0,0]=4 165 B5R0.5 CN(C)C(=N)N Z1839480548 [0,1,0,0,0,0|3,0,0]=4 166 B5R0.5 CN(C)C(=S)N Z56347524 [0,1,0,0,0,0|3,0,0]=4 167 B5R0.5 C[C@@H](N)C(=O)O Z802692914 [0,1,0,0,0,0|2,0,0]=3 168 B5R0.5 C[C@H](N)C(=O)N Z359371050 [0,1,0,0,0,0|2,0,1]=4 169 B5R0.5 C[C@H](N)C(=O)O Z756424912 [0,1,0,0,0,0|2,0,0]=3 170 B5R0.5 NC(=S)C(=S)N Z56347000 [0,1,0,0,0,0|2,1,0]=4 171 B5R0.5 O=C(O)C(=O)O Z1741978903 [0,1,0,0,0,0|3,0,0]=4 172 B5R0.5 O=C(O)C(Cl)Cl Z104476414 [0,1,0,0,0,0|3,0,0]=4 173 B5R0.5 O=C(O)C(F)F Z104474070 [0,1,0,0,0,0|3,0,0]=4 174 B5R1.2 O=C1CCO1 Z1089877620 [0,0,0,1,0,0|2,0,1]=4 175 B5R1.2 OC1CNC1 Z1012638850 [0,0,0,1,0,0|1,0,1]=3 176 B5R1.2 OC1COC1 Z1123686553 [0,0,0,1,0,0|2,0,1]=4 177 B5R1.3 ClCC1CO1 Z104473190 [0,0,0,1,0,0|2,0,1]=4 178 B5R1.3 OCC1CO1 Z104476180 [0,0,0,1,0,0|2,0,1]=4 179 B5R1.3 OC[C@@H]1CO1 Z1222330631 [0,0,0,1,0,0|2,0,1]=4 180 B5R1.3 OC[C@H]1CO1 Z1222330633 [0,0,0,1,0,0|2,0,1]=4 181 B5R1.4 CC1CC1N Z406520774 [0,0,0,1,0,0|2,0,1]=4 182 B5R1.4 C[C@@H]1C[C@H]1N Z993905302 [0,0,0,1,0,0|2,0,1]=4 183 B2R0.1 CNC Z57834054 [2,0,0,0,0,0|1,0,1]=4 184 B4R0.2 CC#CCN Z1713595498 [1,1,0,0,0,0|1,0,1]=4 185 B4R0.2 CCCCN Z104474314 [1,1,0,0,0,0|1,0,1]=4 186 B4R0.2 CCCNN Z415728048 [1,1,0,0,0,0|0,0,2]=4 187 B4R0.2 NC/C=C/Cl Z2941400887 [1,1,0,0,0,0|1,0,1]=4 188 B4R0.2 NCCCN Z104478068 [1,1,0,0,0,0|1,0,1]=4 189 B4R0.2 NCCCO Z56771034 [1,1,0,0,0,0|1,0,1]=4 190 B4R0.3 CS(=O)(=O)N Z54080282 [1,1,0,0,0,0|1,0,1]=4 191 B4R0.3 CS(=O)(=O)O Z281776238 [1,1,0,0,0,0|2,0,0]=4 192 B6R0.1 C#CCC(O)CN Z2491498074 [0,2,0,0,0,0|1,0,1]=4 193 B6R0.1 CC(CN)CCO Z1203581915 [0,2,0,0,0,0|1,0,1]=4 194 B6R0.1 CC(CO)CCN Z5410631465 [0,2,0,0,0,0|1,0,1]=4 195 B6R0.1 CCC(O)CCN Z406342052 [0,2,0,0,0,0|1,0,1]=4 196 B6R0.1 CCCC(=O)CN Z1203579017 [0,2,0,0,0,0|1,0,1]=4 197 B6R0.1 CCCC(O)CN Z419084742 [0,2,0,0,0,0|1,0,1]=4 198 B6R0.1 CCNC(=O)CN Z54747476 [0,2,0,0,0,0|1,0,1]=4 199 B6R0.1 CCNC(=S)NN Z56965890 [0,2,0,0,0,0|0,1,1]=4 200 B6R0.1 CCOC(=O)CN Z594038186 [0,2,0,0,0,0|1,0,1]=4 201 B6R0.1 CCOC(=O)NN Z104478458 [0,2,0,0,0,0|0,0,2]=4 202 B6R0.1 CCOC(C)CN Z844631802 [0,2,0,0,0,0|1,0,1]=4 203 B6R0.1 CNC(=O)CCN Z425449754 [0,2,0,0,0,0|1,0,1]=4 204 B6R0.1 CNCC(=O)NC Z57981096 [0,2,0,0,0,0|1,0,1]=4 205 B6R0.1 CNCC(=O)OC Z89264972 [0,2,0,0,0,0|1,0,1]=4 206 B6R0.1 CNCC(C)OC Z2065788390 [0,2,0,0,0,0|1,0,1]=4 207 B6R0.1 CNC[C@H](O)CO Z600533638 [0,2,0,0,0,0|1,0,1]=4 208 B6R0.1 CO/C(=N/C#N)/C Z445995030 [0,2,0,0,0,0|0,0,1]=3 209 B6R0.1 COC(C)CCN Z802903932 [0,2,0,0,0,0|1,0,1]=4 210 B6R0.1 COCC(O)CN Z271097108 [0,2,0,0,0,0|1,0,1]=4 211 B6R0.1 CS/C(=N/C#N)/N Z1203578988 [0,2,0,0,0,0|1,0,1]=4 212 B6R0.1 CS/C(=N/C#N)/[S-] Z1201621369 [0,2,0,0,0,0|0,1,1]=4 213 B6R0.1 N#CCC(=O)NN Z104474618 [0,2,0,0,0,0|0,0,2]=4 214 B6R0.2 CC(=CC(=O)N)C Z33546934 [0,2,0,0,0,0|2,0,0]=4 215 B6R0.2 CC(=O)/C=C(/C)\N Z56858245 [0,2,0,0,0,0|1,0,1]=4 216 B6R0.2 CC(=O)CC(C)N Z57329385 [0,2,0,0,0,0|1,0,1]=4 217 B6R0.2 CC(=O)NC(=N)N Z1203578060 [0,2,0,0,0,0|0,0,2]=4 218 B6R0.2 CC(=O)NC(=O)N Z104476284 [0,2,0,0,0,0|0,0,2]=4 219 B6R0.2 CC(N)CC(=O)O Z147647144 [0,2,0,0,0,0|2,0,0]=4 220 B6R0.2 CN(C)CC(=O)O Z235580496 [0,2,0,0,0,0|2,0,0]=4 221 B6R0.2 C[C@H](N)CC(=O)O Z1741969208 [0,2,0,0,0,0|2,0,0]=4 222 B6R0.2 NC(=O)CC(=O)O Z963467736 [0,2,0,0,0,0|2,0,0]=4 223 B6R0.3 C=CC(N)C(=O)O Z3244810526 [0,2,0,0,0,0|2,0,0]=4 224 B6R0.3 CC(=C(F)CN)C Z1203639272 [0,2,0,0,0,0|2,0,0]=4 225 B6R0.3 CC(C)C(=O)NN Z56926537 [0,2,0,0,0,0|0,0,2]=4 226 B6R0.3 CC(C)C(O)CN Z1255523288 [0,2,0,0,0,0|1,0,1]=4 227 B6R0.3 CC(CN)C(=O)O Z431542704 [0,2,0,0,0,0|1,0,1]=4 228 B6R0.3 CC(N)C(C)CO Z1203581847 [0,2,0,0,0,0|1,0,1]=4 229 B6R0.3 CC(O)C(N)CN Z1250080890 [0,2,0,0,0,0|1,0,1]=4 230 B6R0.3 CCC(N)C(=O)O Z104495144 [0,2,0,0,0,0|2,0,0]=4 231 B6R0.3 CCC(O)C(=O)N Z965049008 [0,2,0,0,0,0|1,0,1]=4 232 B6R0.3 CC[C@@H](N)C(=O)O Z904976986 [0,2,0,0,0,0|2,0,0]=4 233 B6R0.3 CC[C@H](N)C(=O)O Z1741965569 [0,2,0,0,0,0|2,0,0]=4 234 B6R0.3 CN(C)C(=N)CN Z220638406 [0,2,0,0,0,0|2,0,0]=4 235 B6R0.3 CN(C)C(=O)CN Z54751082 [0,2,0,0,0,0|1,0,1]=4 236 B6R0.3 CNC(=O)C(C)N Z105197440 [0,2,0,0,0,0|1,0,1]=4 237 B6R0.3 CNC(=O)C(C)O Z431951884 [0,2,0,0,0,0|1,0,1]=4 238 B6R0.3 CNC(=O)[C@@H](C)N Z1346385420 [0,2,0,0,0,0|1,0,1]=4 239 B6R0.3 CNC(=O)[C@H](C)N Z1449756238 [0,2,0,0,0,0|1,0,1]=4 240 B6R0.3 CNC(C)C(=O)O Z1278590830 [0,2,0,0,0,0|2,0,0]=4 241 B6R0.3 COC(=O)C(=N)N Z1198220825 [0,2,0,0,0,0|1,0,1]=4 242 B6R0.3 COC(=O)C(C)N Z56968898 [0,2,0,0,0,0|1,0,1]=4 243 B6R0.3 COC(C)C(=N)N Z1365534351 [0,2,0,0,0,0|1,0,1]=4 244 B6R0.3 COC(C)C(=O)N Z223645218 [0,2,0,0,0,0|1,0,1]=4 245 B6R0.3 COC(C)[C@@H](C)N Z2160914955 [0,2,0,0,0,0|1,0,1]=4 246 B6R0.3 COC(C)[C@H](C)N Z1795817829 [0,2,0,0,0,0|1,0,1]=4 247 B6R0.3 NC(CO)C(=O)O Z57396986 [0,2,0,0,0,0|2,0,0]=4 248 B6R0.3 NC(CS)C(=O)O Z966690626 [0,2,0,0,0,0|2,0,0]=4 249 B6R0.3 NCC(N)C(=O)O Z2465863279 [0,2,0,0,0,0|2,0,0]=4 250 B6R0.3 NCC(O)C(=O)N Z1889902538 [0,2,0,0,0,0|1,0,1]=4 251 B6R0.3 NC[C@@H](F)C(=O)O Z2695741427 [0,2,0,0,0,0|2,0,0]=4 252 B6R0.3 NNC(=O)C(=O)O Z3068042919 [0,2,0,0,0,0|1,0,1]=4 253 B6R0.3 N[C@@H](CO)C(=O)O Z756440058 [0,2,0,0,0,0|2,0,0]=4 254 B6R0.3 N[C@@H](CS)C(=O)O Z760035162 [0,2,0,0,0,0|2,0,0]=4 255 B6R0.3 N[C@H](CO)C(=O)O Z1070067572 [0,2,0,0,0,0|2,0,0]=4 256 B6R0.4 CC(=O)OCCN Z1973465551 [0,2,0,0,0,0|1,0,1]=4 257 B6R0.4 CC(O)CCCN Z1198178891 [0,2,0,0,0,0|1,0,1]=4 258 B6R0.4 CCNCC(=O)O Z744593094 [0,2,0,0,0,0|2,0,0]=4 259 B6R0.4 CCNCC(C)O Z138692768 [0,2,0,0,0,0|1,0,1]=4 260 B6R0.4 CNCCC(=O)C Z1536943318 [0,2,0,0,0,0|1,0,1]=4 261 B6R0.4 CNCCC(C)O Z1203731868 [0,2,0,0,0,0|1,0,1]=4 262 B6R0.4 NCCCC(=O)O Z104475620 [0,2,0,0,0,0|2,0,0]=4 263 B6R0.5 CNCC(C)(C)O Z600453550 [0,2,0,0,0,0|1,0,1]=4 264 B6R0.8 CC(C)(CN)CO Z3247605488 [0,2,0,0,0,0|1,0,1]=4 265 B6R0.8 CCC(C)(O)CN Z419085064 [0,2,0,0,0,0|1,0,1]=4 266 B6R0.8 COC(C)(C)CN Z1266933932 [0,2,0,0,0,0|1,0,1]=4 267 B6R0.9 C/N=C(/NC)\SC Z107728778 [0,2,0,0,0,0|1,1,0]=4 268 B6R0.9 CCC(CN)OC Z2168541798 [0,2,0,0,0,0|1,0,1]=4 269 B6R0.9 CN=C(NC)NC Z1089996514 [0,2,0,0,0,0|2,0,0]=4 270 B6R0.9 CNC(=NN)NC Z1601562190 [0,2,0,0,0,0|1,0,0]=3 271 B6R0.7 CC(C)(N)C(=O)O Z317024776 [0,2,0,0,0,0|2,0,0]=4 272 B6R0.7 CC(C)(O)C(=N)N Z3244745533 [0,2,0,0,0,0|1,0,1]=4 273 B6R0.7 CC(O)C(C)(C)N Z3688848535 [0,2,0,0,0,0|1,0,1]=4 274 B6R1.2 BrC1=CNC=N1 Z1213725191 [0,1,0,1,0,0|1,0,1]=4 275 B6R1.2 C=C1CCNC1 Z3019986853 [0,1,0,1,0,0|2,0,0]=4 276 B6R1.2 C=C1CNOC1 Z3037884222 [0,1,0,1,0,0|1,0,1]=4 277 B6R1.2 CC1=CC=CO1 Z104472456 [0,1,0,1,0,0|2,0,0]=4 278 B6R1.2 CC1=CCNC1 Z1203734447 [0,1,0,1,0,0|2,0,0]=4 279 B6R1.2 CC1=CN=CN1 Z1945707502 [0,1,0,1,0,0|2,0,0]=4 280 B6R1.2 CC1=CN=CO1 Z1198180653 [0,1,0,1,0,0|1,0,0]=3 281 B6R1.2 CC1=CNC=C1 Z1203730789 [0,1,0,1,0,0|2,0,0]=4 282 B6R1.2 CC1=CNN=C1 Z600419582 [0,1,0,1,0,0|1,0,0]=3 283 B6R1.2 CC1=CNN=N1 Z1255358215 [0,1,0,1,0,0|1,0,0]=3 284 B6R1.2 CC1=COC=N1 Z1198313432 [0,1,0,1,0,0|1,0,0]=3 285 B6R1.2 CC1=NC=CN1 Z104494990 [0,1,0,1,0,0|2,0,0]=4 286 B6R1.2 CC1=NCCN1 Z204020260 [0,1,0,1,0,0|2,0,0]=4 287 B6R1.2 CC1=NCCS1 Z104480256 [0,1,0,1,0,0|1,1,0]=4 288 B6R1.2 CC1=NNC=C1 Z450469310 [0,1,0,1,0,0|1,0,0]=3 289 B6R1.2 CC1=NNC=N1 Z939944658 [0,1,0,1,0,0|1,0,0]=3 290 B6R1.2 ClC1=CNN=C1 Z275169786 [0,1,0,1,0,0|1,0,1]=4 291 B6R1.2 ClC1=NNC=C1 Z1255493581 [0,1,0,1,0,0|1,0,1]=4 292 B6R1.2 IC1=CNN=C1 Z1203162050 [0,1,0,1,0,0|1,0,1]=4 293 B6R1.2 NC1=CNC=N1 Z3241270014 [0,1,0,1,0,0|1,0,1]=4 294 B6R1.2 NC1=CNN=N1 Z1964347651 [0,1,0,1,0,0|1,0,1]=4 295 B6R1.2 NC1=NC=CO1 Z939904646 [0,1,0,1,0,0|2,0,0]=4 296 B6R1.2 NC1=NCCO1 Z336087916 [0,1,0,1,0,0|2,0,0]=4 297 B6R1.2 NC1=NN=CO1 Z277559304 [0,1,0,1,0,0|1,0,1]=4 298 B6R1.2 NC1=NNC=C1 Z240126818 [0,1,0,1,0,0|1,0,1]=4 299 B6R1.2 NC1=NNCC1 Z1569708704 [0,1,0,1,0,0|1,0,0]=3 300 B6R1.2 O=C1CCNC1 Z1741976513 [0,1,0,1,0,0|1,0,1]=4 301 B6R1.2 O=C1CCNN1 Z2935001239 [0,1,0,1,0,0|0,0,2]=4 302 B6R1.2 OC1=NN=CS1 Z1238571564 [0,1,0,1,0,0|0,0,2]=4 303 B6R1.2 OC1=NOC=C1 Z1255501207 [0,1,0,1,0,0|1,0,1]=4 304 B6R1.2 OC1=NSN=C1 Z119989398 [0,1,0,1,0,0|0,0,2]=4 305 B6R1.2 O[C@@H]1CCNC1 Z1263714129 [0,1,0,1,0,0|1,0,1]=4 306 B6R1.2 O[C@H]1CCNC1 Z1263714116 [0,1,0,1,0,0|1,0,1]=4 307 B6R1.2 SC1=NCCN1 Z104497392 [0,1,0,1,0,0|1,1,0]=4 308 B6R1.5 N[C@H]1C[C@H](C1)O Z1416282421 [0,1,0,1,0,0|1,0,1]=4 309 B6R1.8 C=C1CC1CN Z3454021936 [0,1,0,1,0,0|2,0,0]=4 310 B6R1.6 COC1CNC1 Z1267773781 [0,1,0,1,0,0|1,0,1]=4