0 B5R0.4 C=CS(=O)(=O)C Z608051272 [0,0,0,0,0,0|1,0,2]=3 1 B5R0.4 CC(C)(O)CO Z600454414 [0,0,0,0,0,0|4,0,0]=4 2 B5R0.4 CCC(C)(C)N Z104480062 [0,0,0,0,0,0|4,0,0]=4 3 B5R0.4 CCC(C)(C)O Z104473496 [0,0,0,0,0,0|3,0,0]=3 4 B5R0.4 CCS(=O)(=O)N Z54886646 [0,0,0,0,0,0|1,0,0]=1 5 B5R0.4 CNS(=O)(=O)C Z54078255 [0,0,0,0,0,0|2,0,0]=2 6 B5R0.4 CNS(=O)(=O)N Z56762361 [0,0,0,0,0,0|2,0,0]=2 7 B5R0.4 COS(=O)(=O)C Z133684226 [0,0,0,0,0,0|2,0,0]=2 8 B5R0.4 COS(=O)(=O)N Z300238034 [0,0,0,0,0,0|2,0,0]=2 9 B5R0.4 CS(=O)(=O)NN Z283687760 [0,0,0,0,0,0|3,0,0]=3 10 B5R0.4 O=S(=O)([O-])CCl Z104476408 [0,0,0,0,0,0|1,0,1]=2 11 B4R0.1 C#CC(=O)O Z104493798 [1,0,0,0,0,0|1,0,2]=4 12 B4R0.1 C=CC(=O)O Z57127944 [1,0,0,0,0,0|1,0,2]=4 13 B4R0.1 CC(=O)CN Z1262398366 [1,0,0,0,0,0|3,0,0]=4 14 B4R0.1 CC(O)CN Z104477092 [1,0,0,0,0,0|3,0,0]=4 15 B4R0.1 CC(O)CO Z106938868 [1,0,0,0,0,0|3,0,0]=4 16 B4R0.1 CCC(=N)N Z1741969146 [1,0,0,0,0,0|3,0,0]=4 17 B4R0.1 CCC(=O)N Z33546482 [1,0,0,0,0,0|2,0,0]=3 18 B4R0.1 CCC(=O)O Z104474154 [1,0,0,0,0,0|1,0,0]=2 19 B4R0.1 CCC(=S)N Z241091446 [1,0,0,0,0,0|2,1,0]=4 20 B4R0.1 CCC(C)N Z104472234 [1,0,0,0,0,0|3,0,0]=4 21 B4R0.1 CC[C@@H](C)O Z1203162396 [1,0,0,0,0,0|2,0,0]=3 22 B4R0.1 CNC(=O)C Z32016274 [1,0,0,0,0,0|3,0,0]=4 23 B4R0.1 CNC(=O)N Z56932989 [1,0,0,0,0,0|3,0,0]=4 24 B4R0.1 COC(=O)N Z104476722 [1,0,0,0,0,0|3,0,0]=4 25 B4R0.1 C[C@@H](O)CO Z1255486379 [1,0,0,0,0,0|3,0,0]=4 26 B4R0.1 C[C@H](O)CN Z1203577967 [1,0,0,0,0,0|3,0,0]=4 27 B4R0.1 C[C@H](O)CO Z1255449993 [1,0,0,0,0,0|3,0,0]=4 28 B4R0.1 NC(=O)CF Z104475768 [1,0,0,0,0,0|3,0,0]=4 29 B4R0.1 NC(=O)CI Z1080376832 [1,0,0,0,0,0|3,0,0]=4 30 B4R0.1 NC(=O)CO Z424788508 [1,0,0,0,0,0|3,0,0]=4 31 B4R0.1 NCC(=O)N Z1262254285 [1,0,0,0,0,0|3,0,0]=4 32 B4R0.1 NCC(=O)O Z955123660 [1,0,0,0,0,0|2,0,0]=3 33 B4R0.1 O=C(O)CBr Z104473018 [1,0,0,0,0,0|2,0,0]=3 34 B4R0.1 O=C(O)CO Z104473274 [1,0,0,0,0,0|2,0,0]=3 35 B4R0.1 O=[N+]([O-])CBr Z1255485348 [1,0,0,0,0,0|2,0,1]=4 36 B4R0.3 CS(=O)(=O)C Z417007936 [1,0,0,0,0,0|1,0,0]=2 37 B4R0.3 CS(=O)(=O)F Z361886230 [1,0,0,0,0,0|1,0,0]=2 38 B4R0.3 CS(=O)(=O)N Z54080282 [1,0,0,0,0,0|1,0,0]=2 39 B4R0.3 CS(=O)(=O)O Z281776238 [1,0,0,0,0,0|0,0,0]=1 40 B4R0.3 O=P(O)(O)F Z1255360409 [1,0,0,0,0,0|2,0,1]=4 41 B6R0.5 C=CCS(=O)(=O)Cl Z1079442078 [0,1,0,0,0,0|1,0,1]=3 42 B6R0.5 CCCC(C)(C)O Z449374450 [0,1,0,0,0,0|3,0,0]=4 43 B6R0.5 CCNS(=O)(=O)C Z53825320 [0,1,0,0,0,0|1,0,0]=2 44 B6R0.5 CCOS(=O)(=O)N Z2751120716 [0,1,0,0,0,0|1,0,0]=2 45 B6R0.5 CNCC(C)(C)O Z600453550 [0,1,0,0,0,0|3,0,0]=4 46 B6R0.5 CS(=O)(=O)CC#N Z55928823 [0,1,0,0,0,0|1,0,1]=3 47 B6R0.5 CS(=O)(=O)CCN Z265638750 [0,1,0,0,0,0|1,0,0]=2 48 B6R0.5 N#CCP(=O)(O)O Z3025383580 [0,1,0,0,0,0|1,0,2]=4 49 B6R0.5 NCCS(=O)(=O)N Z432066942 [0,1,0,0,0,0|1,0,0]=2 50 B6R0.5 NCCS(=O)(=O)O Z248489432 [0,1,0,0,0,0|0,0,0]=1 51 B6R0.5 NS(=O)(=O)CCO Z1267897807 [0,1,0,0,0,0|1,0,0]=2 52 B6R0.5 O=S(=O)(Cl)CCCl Z56965859 [0,1,0,0,0,0|1,0,0]=2 53 B6R0.5 O=S(=O)([O-])CCS Z594284202 [0,1,0,0,0,0|0,0,1]=2 54 B6R0.7 CC(C)S(=O)(=O)N Z599618876 [0,1,0,0,0,0|1,0,0]=2 55 B6R0.7 CC(O)S(=O)(=O)[O-] Z1198151272 [0,1,0,0,0,0|0,0,1]=2 56 B6R0.7 CN(C)S(=O)(=O)Cl Z270760636 [0,1,0,0,0,0|2,0,0]=3 57 B6R0.7 CN(C)S(=O)(=O)N Z300114482 [0,1,0,0,0,0|2,0,0]=3 58 B6R0.7 NS(=O)(=O)C(F)F Z335450076 [0,1,0,0,0,0|2,0,0]=3 59 B6R0.8 C#CC(C)(O)CC Z1251192957 [0,1,0,0,0,0|3,0,0]=4 60 B6R0.8 C=CS(=O)(=O)C=C Z362768182 [0,1,0,0,0,0|1,0,2]=4 61 B6R0.8 C=CS(=O)(=O)CC Z448248158 [0,1,0,0,0,0|1,0,0]=2 62 B6R0.8 CCC(C)(C)CO Z995039230 [0,1,0,0,0,0|3,0,0]=4 63 B6R0.8 CCC(C)(N)CO Z734150850 [0,1,0,0,0,0|3,0,0]=4 64 B6R0.8 CCC(C)(O)CC Z449374480 [0,1,0,0,0,0|3,0,0]=4 65 B6R0.8 CCC(C)(O)CN Z419085064 [0,1,0,0,0,0|3,0,0]=4 66 B6R0.8 COP(=O)([S-])OC Z3670332895 [0,1,0,0,0,0|2,1,0]=4 67 B6R0.8 COS(=O)(=O)OC Z104473216 [0,1,0,0,0,0|1,0,0]=2 68 B6R1.7 CCC1(CO1)C Z1020679924 [0,0,0,1,0,0|3,0,0]=4 69 B6R1.9 CC1OC1(C)C Z1255419606 [0,0,0,1,0,0|3,0,0]=4 70 B6R1.10 CC1(CCC1)O Z1241455013 [0,0,0,1,0,0|3,0,0]=4 71 B6R1.10 O=S1(=O)CCN1 Z415933552 [0,0,0,1,0,0|1,0,0]=2 72 B3R0.1 NCCO Z104473700 [2,0,0,0,0,0|2,0,0]=4 73 B3R0.1 OCCS Z104473584 [2,0,0,0,0,0|2,0,0]=4 74 B3R0.2 CC(=O)N Z33546370 [2,0,0,0,0,0|2,0,0]=4 75 B3R0.2 CC(=O)O Z1954803614 [2,0,0,0,0,0|1,0,0]=3 76 B3R0.2 CC(=O)[S-] Z1142554016 [2,0,0,0,0,0|1,1,0]=4 77 B5R0.1 C#CCC(=O)O Z295890060 [1,1,0,0,0,0|1,0,1]=4 78 B5R0.1 C/C=C/C(=O)O Z104476026 [1,1,0,0,0,0|1,0,1]=4 79 B5R0.1 CC(=O)CCO Z906206900 [1,1,0,0,0,0|2,0,0]=4 80 B5R0.1 CC(O)CCN Z802904114 [1,1,0,0,0,0|2,0,0]=4 81 B5R0.1 CC(O)CCO Z104473530 [1,1,0,0,0,0|2,0,0]=4 82 B5R0.1 CCCC(=O)N Z33546461 [1,1,0,0,0,0|2,0,0]=4 83 B5R0.1 CCCC(=O)O Z104495380 [1,1,0,0,0,0|1,0,0]=3 84 B5R0.1 CCOC(=O)N Z33546369 [1,1,0,0,0,0|2,0,0]=4 85 B5R0.1 CNCC(=O)N Z415678308 [1,1,0,0,0,0|2,0,0]=4 86 B5R0.1 CNCC(=O)O Z104480276 [1,1,0,0,0,0|1,0,0]=3 87 B5R0.1 CNCC(C)O Z138692700 [1,1,0,0,0,0|2,0,0]=4 88 B5R0.1 COCC(=O)N Z33546778 [1,1,0,0,0,0|2,0,0]=4 89 B5R0.1 COCC(=O)O Z104477404 [1,1,0,0,0,0|1,0,0]=3 90 B5R0.1 COCC(C)O Z825742124 [1,1,0,0,0,0|2,0,0]=4 91 B5R0.1 CS(=O)CCN Z802568576 [1,1,0,0,0,0|1,0,1]=4 92 B5R0.1 CSCC(=O)N Z33545668 [1,1,0,0,0,0|2,0,0]=4 93 B5R0.1 CSCC(C)O Z732208306 [1,1,0,0,0,0|2,0,0]=4 94 B5R0.1 CSCS(=O)C Z1255438413 [1,1,0,0,0,0|1,0,1]=4 95 B5R0.1 C[C@@H](O)CCN Z1860991703 [1,1,0,0,0,0|2,0,0]=4 96 B5R0.1 N#CCC(=O)O Z104476112 [1,1,0,0,0,0|1,0,1]=4 97 B5R0.1 NC(=O)CCO Z431951940 [1,1,0,0,0,0|2,0,0]=4 98 B5R0.1 NCCC(=O)N Z415728050 [1,1,0,0,0,0|2,0,0]=4 99 B5R0.1 NCCC(=O)O Z57127544 [1,1,0,0,0,0|1,0,0]=3 100 B5R0.1 NOCC(=O)O Z90662171 [1,1,0,0,0,0|2,0,0]=4 101 B5R0.1 O=C(O)CCCl Z203045320 [1,1,0,0,0,0|1,0,0]=3 102 B5R0.1 O=C(O)CCS Z104474322 [1,1,0,0,0,0|1,0,0]=3 103 B5R0.1 O=C(O)CNO Z1205493750 [1,1,0,0,0,0|2,0,0]=4 104 B5R0.3 CC/C(=N/O)/N Z241067842 [1,1,0,0,0,0|2,0,0]=4 105 B5R0.3 CCC(=O)CC Z104476878 [1,1,0,0,0,0|2,0,0]=4 106 B5R0.3 CCC(=O)CN Z1203579016 [1,1,0,0,0,0|2,0,0]=4 107 B5R0.3 CCC(=O)NN Z56886418 [1,1,0,0,0,0|2,0,0]=4 108 B5R0.3 CCC(N)CO Z104474862 [1,1,0,0,0,0|2,0,0]=4 109 B5R0.3 CCC(O)C#N Z419078094 [1,1,0,0,0,0|2,0,0]=4 110 B5R0.3 CCC(O)CN Z419084746 [1,1,0,0,0,0|2,0,0]=4 111 B5R0.3 CCC(O)CO Z600450538 [1,1,0,0,0,0|1,0,1]=4 112 B5R0.3 CCN(C)C=O Z1258520870 [1,1,0,0,0,0|2,0,0]=4 113 B5R0.3 CCN(C)N=O Z1198147516 [1,1,0,0,0,0|2,0,0]=4 114 B5R0.3 CC[C@@H](N)CO Z1203162359 [1,1,0,0,0,0|2,0,0]=4 115 B5R0.3 CC[C@H](N)CO Z1203162358 [1,1,0,0,0,0|2,0,0]=4 116 B5R0.3 CNC(=O)CO Z431952700 [1,1,0,0,0,0|2,0,0]=4 117 B5R0.3 COC(=O)CN Z57042020 [1,1,0,0,0,0|2,0,0]=4 118 B5R0.3 O=C(CO)CO Z1255442144 [1,1,0,0,0,0|2,0,0]=4 119 B5R0.5 CC(=O)C(=O)O Z104495240 [1,1,0,0,0,0|1,0,1]=4 120 B5R0.5 CC(=O)C(C)N Z1263529525 [1,1,0,0,0,0|2,0,0]=4 121 B5R0.5 CC(Br)C(=O)O Z57127555 [1,1,0,0,0,0|1,0,0]=3 122 B5R0.5 CC(C)C(=O)N Z57046209 [1,1,0,0,0,0|2,0,0]=4 123 B5R0.5 CC(C)C(=O)O Z104473380 [1,1,0,0,0,0|1,0,0]=3 124 B5R0.5 CC(C)[N+](=O)[O-] Z104474978 [1,1,0,0,0,0|1,0,1]=4 125 B5R0.5 CC(Cl)C(=O)N Z56924427 [1,1,0,0,0,0|2,0,0]=4 126 B5R0.5 CC(Cl)C(=O)O Z147646840 [1,1,0,0,0,0|1,0,0]=3 127 B5R0.5 CC(N)C(=O)N Z54749436 [1,1,0,0,0,0|2,0,0]=4 128 B5R0.5 CC(N)C(=O)O Z57396987 [1,1,0,0,0,0|1,0,0]=3 129 B5R0.5 CC(O)C(=O)N Z57206008 [1,1,0,0,0,0|2,0,0]=4 130 B5R0.5 CC(O)C(C)O Z104473532 [1,1,0,0,0,0|2,0,0]=4 131 B5R0.5 CC(S)C(=O)O Z104477082 [1,1,0,0,0,0|1,0,0]=3 132 B5R0.5 C[C@@H](N)C(=O)O Z802692914 [1,1,0,0,0,0|1,0,0]=3 133 B5R0.5 C[C@H](N)C(=O)N Z359371050 [1,1,0,0,0,0|2,0,0]=4 134 B5R0.5 C[C@H](N)C(=O)O Z756424912 [1,1,0,0,0,0|1,0,0]=3 135 B5R0.5 O=C(O)C(Cl)Cl Z104476414 [1,1,0,0,0,0|2,0,0]=4 136 B5R0.5 O=C(O)C(F)F Z104474070 [1,1,0,0,0,0|2,0,0]=4 137 B7R0.8 C#CCCS(=O)(=O)N Z1180069291 [0,2,0,0,0,0|1,0,0]=3 138 B7R0.8 C#CCNS(=O)(=O)C Z133701986 [0,2,0,0,0,0|1,0,1]=4 139 B7R0.8 CC#CCS(=O)(=O)N Z1180069210 [0,2,0,0,0,0|1,0,0]=3 140 B7R0.8 CCCCS(=O)(=O)N Z55264566 [0,2,0,0,0,0|1,0,0]=3 141 B7R0.8 CNCCS(=O)(=O)C Z235580952 [0,2,0,0,0,0|1,0,0]=3 142 B7R0.8 CNCCS(=O)(=O)N Z2312320082 [0,2,0,0,0,0|1,0,0]=3 143 B7R0.8 CNCCS(=O)(=O)O Z3989262607 [0,2,0,0,0,0|0,0,0]=2 144 B7R0.8 COCCS(=O)(=O)N Z425361010 [0,2,0,0,0,0|1,0,0]=3 145 B7R0.8 CS(=O)(=O)CCC#N Z608063222 [0,2,0,0,0,0|1,0,0]=3 146 B7R0.8 CS(=O)(=O)CCCN Z752370998 [0,2,0,0,0,0|1,0,0]=3 147 B7R0.8 CS(=O)(=O)CCCO Z1080376164 [0,2,0,0,0,0|1,0,0]=3 148 B7R0.8 CS(=O)(=O)NCC#N Z600498676 [0,2,0,0,0,0|1,0,1]=4 149 B7R0.8 CS(=O)(=O)NCCN Z285224518 [0,2,0,0,0,0|1,0,0]=3 150 B7R0.8 CS(=O)(=O)NCCO Z57801016 [0,2,0,0,0,0|1,0,0]=3 151 B7R0.8 N#CCCS(=O)(=O)N Z734460668 [0,2,0,0,0,0|1,0,0]=3 152 B7R0.8 NCCCS(=O)(=O)N Z744592958 [0,2,0,0,0,0|1,0,0]=3 153 B7R0.8 NCCCS(=O)(=O)O Z1203578094 [0,2,0,0,0,0|0,0,0]=2 154 B7R0.8 NCCNS(=O)(=O)N Z3487421172 [0,2,0,0,0,0|1,0,0]=3 155 B7R0.8 NS(=O)(=O)CCCO Z1267897754 [0,2,0,0,0,0|1,0,0]=3 156 B7R0.9 CC(C)CS(=O)(=O)N Z734461478 [0,2,0,0,0,0|1,0,0]=3 157 B7R0.9 CC(C)NS(=O)(=O)C Z53825073 [0,2,0,0,0,0|1,0,0]=3 158 B7R0.9 CC(N)CS(=O)(=O)C Z1267881687 [0,2,0,0,0,0|1,0,0]=3 159 B7R0.9 CC(O)CS(=O)(=O)C Z991513264 [0,2,0,0,0,0|1,0,0]=3 160 B7R0.9 CC(O)CS(=O)(=O)[O-] Z3300698020 [0,2,0,0,0,0|0,0,1]=3 161 B7R0.9 CS(=O)(=O)CC(=N)N Z1431905458 [0,2,0,0,0,0|1,0,1]=4 162 B7R0.9 CS(=O)(=O)CC(=O)O Z295402410 [0,2,0,0,0,0|1,0,1]=4 163 B7R0.9 CS(=O)(=O)CC(=S)N Z803153250 [0,2,0,0,0,0|1,0,1]=4 164 B7R0.9 NC(=O)CS(=O)(=O)N Z1203582027 [0,2,0,0,0,0|1,0,1]=4 165 B7R0.9 NS(=O)(=O)CC(=O)O Z331472332 [0,2,0,0,0,0|1,0,1]=4 166 B7R0.11 C=CCS(=O)(=O)CC Z1255502034 [0,2,0,0,0,0|1,0,0]=3 167 B7R0.11 CCCS(=O)(=O)NC Z55026691 [0,2,0,0,0,0|1,0,0]=3 168 B7R0.11 CCS(=O)(=O)CCN Z424776794 [0,2,0,0,0,0|1,0,0]=3 169 B7R0.11 CNS(=O)(=O)CC#N Z871802122 [0,2,0,0,0,0|1,0,1]=4 170 B7R0.11 CNS(=O)(=O)CCN Z1778350436 [0,2,0,0,0,0|1,0,0]=3 171 B7R0.14 CC(C#N)S(=O)(=O)C Z844646608 [0,2,0,0,0,0|1,0,0]=3 172 B7R0.14 CC(CN)S(=O)(=O)C Z2588063744 [0,2,0,0,0,0|1,0,0]=3 173 B7R0.14 CCN(C)S(=O)(=O)N Z409026870 [0,2,0,0,0,0|1,0,0]=3 174 B7R0.13 CCC(C)(O)C(=O)O Z788000964 [0,2,0,0,0,0|2,0,0]=4 175 B7R0.13 CNS(=O)(=O)C(C)C Z599618878 [0,2,0,0,0,0|1,0,0]=3 176 B7R0.13 CNS(=O)(=O)C(F)F Z335450080 [0,2,0,0,0,0|2,0,0]=4 177 B7R0.13 CNS(=O)(=O)N(C)C Z352296230 [0,2,0,0,0,0|2,0,0]=4 178 B7R0.17 CC(C)(C)S(=O)(=O)C Z1726051877 [0,2,0,0,0,0|1,0,0]=3 179 B7R0.17 CC(C)(C)S(=O)(=O)N Z991943148 [0,2,0,0,0,0|1,0,0]=3 180 B7R0.17 CC(C)(N)P(=O)(O)O Z57033887 [0,2,0,0,0,0|1,0,1]=4 181 B7R0.17 O=S(=O)(O)C(F)(F)F Z104509352 [0,2,0,0,0,0|1,0,0]=3 182 B5R1.2 O=C1CCO1 Z1089877620 [1,0,0,1,0,0|1,0,0]=3 183 B7R1.14 N=S1(=O)CCCC1 Z1862022759 [0,1,0,1,0,0|2,0,0]=4 184 B7R1.14 O=S1(=O)CC=CC1 Z57161872 [0,1,0,1,0,0|1,0,1]=4 185 B7R1.14 O=S1(=O)CCCN1 Z359508120 [0,1,0,1,0,0|1,0,0]=3 186 B7R1.16 NC1CS(=O)(=O)C1 Z1614337716 [0,1,0,1,0,0|1,0,0]=3 187 B7R1.26 NS(=O)(=O)C1CC1 Z1233201610 [0,1,0,1,0,0|1,0,0]=3