0 B3R0.2 CC(=O)N Z33546370 [0,0,0,0,0,0|1,0,0]=1 1 B3R0.2 CC(=O)O Z1954803614 [0,0,0,0,0,0|1,0,0]=1 2 B3R0.2 CC(=O)[S-] Z1142554016 [0,0,0,0,0,0|1,1,0]=2 3 B3R0.2 NC(=O)N Z104473900 [0,0,0,0,0,0|1,0,0]=1 4 B2R0.1 CNC Z57834054 [1,0,0,0,0,0|3,0,0]=4 5 B2R0.1 Cl[Pt]Cl Z3182781436 [1,0,0,0,0,0|3,0,0]=4 6 B4R0.1 C#CC(=O)O Z104493798 [0,1,0,0,0,0|1,0,0]=2 7 B4R0.1 C#CC(C)O Z1251193370 [0,1,0,0,0,0|2,0,1]=4 8 B4R0.1 C=C(Br)CN Z600439032 [0,1,0,0,0,0|2,0,0]=3 9 B4R0.1 C=C(Br)CO Z600440434 [0,1,0,0,0,0|2,0,0]=3 10 B4R0.1 C=CC(=C)C Z104474660 [0,1,0,0,0,0|3,0,0]=4 11 B4R0.1 C=CC(=O)O Z57127944 [0,1,0,0,0,0|1,0,0]=2 12 B4R0.1 C=CC(C)N Z1446855743 [0,1,0,0,0,0|2,0,1]=4 13 B4R0.1 CC(=O)C=O Z104495190 [0,1,0,0,0,0|1,0,1]=3 14 B4R0.1 CC(=O)CN Z1262398366 [0,1,0,0,0,0|1,0,0]=2 15 B4R0.1 CC(=O)NN Z58981787 [0,1,0,0,0,0|1,0,0]=2 16 B4R0.1 CC(=O)NO Z59181917 [0,1,0,0,0,0|1,0,0]=2 17 B4R0.1 CC(C)NO Z1198161074 [0,1,0,0,0,0|2,0,1]=4 18 B4R0.1 CC(F)CN Z2941405027 [0,1,0,0,0,0|2,0,1]=4 19 B4R0.1 CC(N)CF Z2096088772 [0,1,0,0,0,0|2,0,1]=4 20 B4R0.1 CC(N)CN Z104474490 [0,1,0,0,0,0|2,0,1]=4 21 B4R0.1 CC(O)CN Z104477092 [0,1,0,0,0,0|1,0,1]=3 22 B4R0.1 CC(O)CO Z106938868 [0,1,0,0,0,0|1,0,2]=4 23 B4R0.1 CCC(=N)N Z1741969146 [0,1,0,0,0,0|2,0,0]=3 24 B4R0.1 CCC(=O)N Z33546482 [0,1,0,0,0,0|1,0,0]=2 25 B4R0.1 CCC(=O)O Z104474154 [0,1,0,0,0,0|1,0,0]=2 26 B4R0.1 CCC(=S)N Z241091446 [0,1,0,0,0,0|1,1,0]=3 27 B4R0.1 CCC(C)N Z104472234 [0,1,0,0,0,0|2,0,1]=4 28 B4R0.1 CC[C@@H](C)O Z1203162396 [0,1,0,0,0,0|2,0,1]=4 29 B4R0.1 CN(C)N=O Z1255485177 [0,1,0,0,0,0|3,0,0]=4 30 B4R0.1 CNC(=N)C Z2146515751 [0,1,0,0,0,0|2,0,0]=3 31 B4R0.1 CNC(=O)C Z32016274 [0,1,0,0,0,0|1,0,0]=2 32 B4R0.1 CNC(=O)N Z56932989 [0,1,0,0,0,0|1,0,0]=2 33 B4R0.1 COC(=N)N Z1741976783 [0,1,0,0,0,0|1,0,0]=2 34 B4R0.1 COC(=O)N Z104476722 [0,1,0,0,0,0|0,0,0]=1 35 B4R0.1 CSC(=N)N Z1741980405 [0,1,0,0,0,0|1,1,0]=3 36 B4R0.1 C[C@@H](N)CN Z3234812272 [0,1,0,0,0,0|2,0,1]=4 37 B4R0.1 C[C@@H](N)CO Z346076140 [0,1,0,0,0,0|1,0,1]=3 38 B4R0.1 C[C@@H](O)CO Z1255486379 [0,1,0,0,0,0|1,0,2]=4 39 B4R0.1 C[C@H](N)CN Z1741977335 [0,1,0,0,0,0|2,0,1]=4 40 B4R0.1 C[C@H](O)CN Z1203577967 [0,1,0,0,0,0|1,0,1]=3 41 B4R0.1 C[C@H](O)CO Z1255449993 [0,1,0,0,0,0|1,0,2]=4 42 B4R0.1 ClC=C(Cl)Cl Z104473870 [0,1,0,0,0,0|3,0,0]=4 43 B4R0.1 N=C(N)CCl Z204878288 [0,1,0,0,0,0|2,0,0]=3 44 B4R0.1 N=C(N)CN Z3798800325 [0,1,0,0,0,0|2,0,0]=3 45 B4R0.1 N=C(N)CO Z1259341033 [0,1,0,0,0,0|1,0,0]=2 46 B4R0.1 N=C(N)NN Z1259217988 [0,1,0,0,0,0|2,0,0]=3 47 B4R0.1 NC(=O)CF Z104475768 [0,1,0,0,0,0|1,0,0]=2 48 B4R0.1 NC(=O)CI Z1080376832 [0,1,0,0,0,0|1,0,0]=2 49 B4R0.1 NC(=O)CO Z424788508 [0,1,0,0,0,0|0,0,0]=1 50 B4R0.1 NC(=O)NO Z1203577934 [0,1,0,0,0,0|0,0,0]=1 51 B4R0.1 NCC(=O)N Z1262254285 [0,1,0,0,0,0|1,0,0]=2 52 B4R0.1 NCC(=O)O Z955123660 [0,1,0,0,0,0|0,0,0]=1 53 B4R0.1 NCC(F)F Z1295543893 [0,1,0,0,0,0|2,0,1]=4 54 B4R0.1 NNC(=O)N Z104473922 [0,1,0,0,0,0|1,0,0]=2 55 B4R0.1 O=C(O)CBr Z104473018 [0,1,0,0,0,0|1,0,0]=2 56 B4R0.1 O=C(O)CO Z104473274 [0,1,0,0,0,0|1,0,0]=2 57 B4R0.1 O=[N+]([O-])CBr Z1255485348 [0,1,0,0,0,0|2,0,1]=4 58 B4R0.1 OCC(F)F Z397587054 [0,1,0,0,0,0|2,0,1]=4 59 B4R0.3 CS(=O)(=O)C Z417007936 [0,1,0,0,0,0|2,0,1]=4 60 B4R0.3 CS(=O)(=O)F Z361886230 [0,1,0,0,0,0|2,0,1]=4 61 B4R0.3 CS(=O)(=O)N Z54080282 [0,1,0,0,0,0|1,0,1]=3 62 B4R0.3 CS(=O)(=O)O Z281776238 [0,1,0,0,0,0|2,0,0]=3 63 B4R0.3 O=P(O)(O)F Z1255360409 [0,1,0,0,0,0|2,0,0]=3 64 B3R0.1 C=CCO Z104473976 [1,1,0,0,0,0|1,0,0]=3 65 B3R0.1 I/C=C/I Z2417817184 [1,1,0,0,0,0|2,0,0]=4 66 B3R0.1 N#CCN Z1210869368 [1,1,0,0,0,0|1,0,1]=4 67 B3R0.1 N/C=N/O Z156964716 [1,1,0,0,0,0|0,0,0]=2 68 B3R0.1 NCCF Z1966571823 [1,1,0,0,0,0|1,0,1]=4 69 B3R0.1 NCCN Z104473714 [1,1,0,0,0,0|1,0,1]=4 70 B3R0.1 NCCO Z104473700 [1,1,0,0,0,0|0,0,1]=3 71 B3R0.1 NCCS Z104474494 [1,1,0,0,0,0|0,1,1]=4 72 B3R0.1 OCCS Z104473584 [1,1,0,0,0,0|0,1,1]=4 73 B5R0.1 C#CCC(=O)O Z295890060 [0,2,0,0,0,0|1,0,0]=3 74 B5R0.1 C/C(=N/C#N)/N Z2573128414 [0,2,0,0,0,0|2,0,0]=4 75 B5R0.1 C/C=C/C(=O)O Z104476026 [0,2,0,0,0,0|1,0,0]=3 76 B5R0.1 C=C(C)CCN Z1203582475 [0,2,0,0,0,0|2,0,0]=4 77 B5R0.1 CC#CC(=O)N Z1203579284 [0,2,0,0,0,0|1,0,0]=3 78 B5R0.1 CC(=CCN)C Z1827897919 [0,2,0,0,0,0|2,0,0]=4 79 B5R0.1 CC(=O)CCO Z906206900 [0,2,0,0,0,0|1,0,0]=3 80 B5R0.1 CC(N)CCO Z385458430 [0,2,0,0,0,0|1,0,1]=4 81 B5R0.1 CC(O)CCN Z802904114 [0,2,0,0,0,0|1,0,1]=4 82 B5R0.1 CCCC(=N)N Z1198394172 [0,2,0,0,0,0|2,0,0]=4 83 B5R0.1 CCCC(=O)N Z33546461 [0,2,0,0,0,0|1,0,0]=3 84 B5R0.1 CCCC(=O)O Z104495380 [0,2,0,0,0,0|1,0,0]=3 85 B5R0.1 CCNC(=N)N Z2574931373 [0,2,0,0,0,0|2,0,0]=4 86 B5R0.1 CCOC(=N)N Z1741973543 [0,2,0,0,0,0|1,0,0]=3 87 B5R0.1 CCOC(=O)N Z33546369 [0,2,0,0,0,0|0,0,0]=2 88 B5R0.1 CCSC(=N)N Z1708092306 [0,2,0,0,0,0|1,1,0]=4 89 B5R0.1 CNCC(=O)N Z415678308 [0,2,0,0,0,0|1,0,0]=3 90 B5R0.1 CNCC(=O)O Z104480276 [0,2,0,0,0,0|0,0,0]=2 91 B5R0.1 CNCC(C)O Z138692700 [0,2,0,0,0,0|1,0,1]=4 92 B5R0.1 COCC(=N)N Z1258620054 [0,2,0,0,0,0|1,0,0]=3 93 B5R0.1 COCC(=O)N Z33546778 [0,2,0,0,0,0|0,0,0]=2 94 B5R0.1 COCC(=O)O Z104477404 [0,2,0,0,0,0|1,0,0]=3 95 B5R0.1 COC[C@@H](C)N Z1270482298 [0,2,0,0,0,0|1,0,1]=4 96 B5R0.1 COC[C@H](C)N Z1270502316 [0,2,0,0,0,0|1,0,1]=4 97 B5R0.1 CS(=O)CCN Z802568576 [0,2,0,0,0,0|2,0,0]=4 98 B5R0.1 CSCC(=N)N Z1459934800 [0,2,0,0,0,0|1,1,0]=4 99 B5R0.1 CSCC(=O)N Z33545668 [0,2,0,0,0,0|0,1,0]=3 100 B5R0.1 C[C@@H](N)CCO Z1526453858 [0,2,0,0,0,0|1,0,1]=4 101 B5R0.1 C[C@@H](O)CCN Z1860991703 [0,2,0,0,0,0|1,0,1]=4 102 B5R0.1 N#CCC(=N)N Z1198223505 [0,2,0,0,0,0|2,0,0]=4 103 B5R0.1 N#CCC(=O)N Z56896153 [0,2,0,0,0,0|1,0,0]=3 104 B5R0.1 N#CCC(=O)O Z104476112 [0,2,0,0,0,0|0,0,1]=3 105 B5R0.1 N#CCC(=S)N Z57046941 [0,2,0,0,0,0|1,1,0]=4 106 B5R0.1 N#CNC(=N)N Z203045078 [0,2,0,0,0,0|2,0,0]=4 107 B5R0.1 N=C(N)CCO Z1198394167 [0,2,0,0,0,0|1,0,0]=3 108 B5R0.1 N=C(N)NC=O Z1203578554 [0,2,0,0,0,0|1,0,0]=3 109 B5R0.1 NC(=O)CCO Z431951940 [0,2,0,0,0,0|0,0,0]=2 110 B5R0.1 NCC=C(Cl)Cl Z2469606492 [0,2,0,0,0,0|2,0,0]=4 111 B5R0.1 NCC=C(F)F Z4511316967 [0,2,0,0,0,0|2,0,0]=4 112 B5R0.1 NCCC(=O)N Z415728050 [0,2,0,0,0,0|1,0,0]=3 113 B5R0.1 NCCC(=O)O Z57127544 [0,2,0,0,0,0|0,0,0]=2 114 B5R0.1 NOCC(=O)O Z90662171 [0,2,0,0,0,0|0,0,0]=2 115 B5R0.1 O=C(O)/C=C/I Z2327124440 [0,2,0,0,0,0|1,0,0]=3 116 B5R0.1 O=C(O)CCCl Z203045320 [0,2,0,0,0,0|1,0,0]=3 117 B5R0.1 O=C(O)CCS Z104474322 [0,2,0,0,0,0|1,0,0]=3 118 B5R0.1 O=C(O)CNO Z1205493750 [0,2,0,0,0,0|0,0,0]=2 119 B5R0.3 C#CC(N)CO Z2235790715 [0,2,0,0,0,0|1,0,1]=4 120 B5R0.3 C/N=C(\C)/NC Z1431002714 [0,2,0,0,0,0|2,0,0]=4 121 B5R0.3 C/N=C(\N)/NC Z1089996530 [0,2,0,0,0,0|2,0,0]=4 122 B5R0.3 C/N=C(\N)/SC Z107728770 [0,2,0,0,0,0|1,1,0]=4 123 B5R0.3 C=C(CC)CN Z2238934536 [0,2,0,0,0,0|2,0,0]=4 124 B5R0.3 C=CC(N)CO Z2146514374 [0,2,0,0,0,0|1,0,1]=4 125 B5R0.3 CC(CN)CO Z406342068 [0,2,0,0,0,0|1,0,1]=4 126 B5R0.3 CC/C(=N/O)/N Z241067842 [0,2,0,0,0,0|1,0,0]=3 127 B5R0.3 CCC(=O)CC Z104476878 [0,2,0,0,0,0|2,0,0]=4 128 B5R0.3 CCC(=O)CN Z1203579016 [0,2,0,0,0,0|1,0,0]=3 129 B5R0.3 CCC(=O)NN Z56886418 [0,2,0,0,0,0|1,0,0]=3 130 B5R0.3 CCC(N)CO Z104474862 [0,2,0,0,0,0|1,0,1]=4 131 B5R0.3 CCC(O)CN Z419084746 [0,2,0,0,0,0|1,0,1]=4 132 B5R0.3 CC[C@@H](N)CO Z1203162359 [0,2,0,0,0,0|1,0,1]=4 133 B5R0.3 CC[C@H](N)CO Z1203162358 [0,2,0,0,0,0|1,0,1]=4 134 B5R0.3 CNC(=N)NN Z2301534051 [0,2,0,0,0,0|2,0,0]=4 135 B5R0.3 CNC(=O)CCl Z56891219 [0,2,0,0,0,0|1,0,0]=3 136 B5R0.3 CNC(=O)CN Z57981102 [0,2,0,0,0,0|1,0,0]=3 137 B5R0.3 CNC(=O)CO Z431952700 [0,2,0,0,0,0|0,0,0]=2 138 B5R0.3 CNC(=O)CS Z1203730878 [0,2,0,0,0,0|0,1,0]=3 139 B5R0.3 COC(=O)CN Z57042020 [0,2,0,0,0,0|0,0,0]=2 140 B5R0.3 COC(C)CN Z1795817756 [0,2,0,0,0,0|1,0,1]=4 141 B5R0.3 N#CC(N)CO Z2301438409 [0,2,0,0,0,0|1,0,1]=4 142 B5R0.3 N=C(CN)NO Z223781376 [0,2,0,0,0,0|1,0,0]=3 143 B5R0.3 N=C(NN)NN Z90663781 [0,2,0,0,0,0|2,0,0]=4 144 B5R0.3 NC(CO)CO Z1203577940 [0,2,0,0,0,0|0,0,2]=4 145 B5R0.3 NCC(=O)CN Z1198147360 [0,2,0,0,0,0|1,0,0]=3 146 B5R0.3 NCC(O)CF Z2311274712 [0,2,0,0,0,0|1,0,1]=4 147 B5R0.3 NNC(=S)NN Z56823019 [0,2,0,0,0,0|1,1,0]=4 148 B5R0.3 O=C(CO)CO Z1255442144 [0,2,0,0,0,0|1,0,0]=3 149 B5R0.3 OC/C(=C/I)/I Z4691071538 [0,2,0,0,0,0|2,0,0]=4 150 B5R0.4 CCS(=O)(=O)N Z54886646 [0,2,0,0,0,0|1,0,1]=4 151 B5R0.4 CNS(=O)(=O)C Z54078255 [0,2,0,0,0,0|1,0,1]=4 152 B5R0.4 CNS(=O)(=O)N Z56762361 [0,2,0,0,0,0|1,0,1]=4 153 B5R0.4 COS(=O)(=O)C Z133684226 [0,2,0,0,0,0|2,0,0]=4 154 B5R0.4 COS(=O)(=O)N Z300238034 [0,2,0,0,0,0|1,0,0]=3 155 B5R0.4 CS(=O)(=O)NN Z283687760 [0,2,0,0,0,0|1,0,1]=4 156 B5R0.5 C=C(Cl)C(=O)O Z1201617183 [0,2,0,0,0,0|1,0,0]=3 157 B5R0.5 CC(=N)N(C)C Z1428159819 [0,2,0,0,0,0|2,0,0]=4 158 B5R0.5 CC(=O)C(=O)O Z104495240 [0,2,0,0,0,0|1,0,0]=3 159 B5R0.5 CC(=O)C(C)N Z1263529525 [0,2,0,0,0,0|1,0,0]=3 160 B5R0.5 CC(Br)C(=O)O Z57127555 [0,2,0,0,0,0|1,0,0]=3 161 B5R0.5 CC(C)C(=N)N Z381357616 [0,2,0,0,0,0|2,0,0]=4 162 B5R0.5 CC(C)C(=O)N Z57046209 [0,2,0,0,0,0|1,0,0]=3 163 B5R0.5 CC(C)C(=O)O Z104473380 [0,2,0,0,0,0|1,0,0]=3 164 B5R0.5 CC(Cl)C(=O)N Z56924427 [0,2,0,0,0,0|1,0,0]=3 165 B5R0.5 CC(Cl)C(=O)O Z147646840 [0,2,0,0,0,0|1,0,0]=3 166 B5R0.5 CC(N)C(=O)N Z54749436 [0,2,0,0,0,0|1,0,0]=3 167 B5R0.5 CC(N)C(=O)O Z57396987 [0,2,0,0,0,0|0,0,0]=2 168 B5R0.5 CC(O)C(=N)N Z2216711526 [0,2,0,0,0,0|1,0,0]=3 169 B5R0.5 CC(O)C(=O)N Z57206008 [0,2,0,0,0,0|0,0,0]=2 170 B5R0.5 CC(S)C(=O)O Z104477082 [0,2,0,0,0,0|1,0,0]=3 171 B5R0.5 CN(C)C(=N)N Z1839480548 [0,2,0,0,0,0|2,0,0]=4 172 B5R0.5 CN(C)C(=S)N Z56347524 [0,2,0,0,0,0|1,1,0]=4 173 B5R0.5 C[C@@H](N)C(=O)O Z802692914 [0,2,0,0,0,0|0,0,0]=2 174 B5R0.5 C[C@H](N)C(=O)N Z359371050 [0,2,0,0,0,0|1,0,0]=3 175 B5R0.5 C[C@H](N)C(=O)O Z756424912 [0,2,0,0,0,0|0,0,0]=2 176 B5R0.5 NC(=O)C(F)F Z33546481 [0,2,0,0,0,0|1,0,0]=3 177 B5R0.5 NC(=S)C(=S)N Z56347000 [0,2,0,0,0,0|0,2,0]=4 178 B5R0.5 O=C(O)C(=O)O Z1741978903 [0,2,0,0,0,0|1,0,0]=3 179 B5R0.5 O=C(O)C(Cl)Cl Z104476414 [0,2,0,0,0,0|1,0,0]=3 180 B5R0.5 O=C(O)C(F)F Z104474070 [0,2,0,0,0,0|1,0,0]=3 181 B5R1.2 NC1COC1 Z317054188 [0,1,0,1,0,0|1,0,1]=4 182 B5R1.2 O=C1CCO1 Z1089877620 [0,1,0,1,0,0|1,0,0]=3 183 B5R1.2 OC1CNC1 Z1012638850 [0,1,0,1,0,0|1,0,1]=4