0 B5R0.1 C#CCC(C)N Z3490223481 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.1 C#CCC(C)O Z969111576 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.1 C=C(C)CCN Z1203582475 [0,0,0,0,0,0|1,0,3]=4 3 B5R0.1 C=CCC(C)N Z1269638561 [0,0,0,0,0,0|2,0,0]=2 4 B5R0.1 CC(=CC#N)C Z851014248 [0,0,0,0,0,0|1,0,3]=4 5 B5R0.1 CC(=CCN)C Z1827897919 [0,0,0,0,0,0|1,0,3]=4 6 B5R0.1 CC(=O)CCO Z906206900 [0,0,0,0,0,0|1,0,3]=4 7 B5R0.1 CC(C)CC#N Z104473272 [0,0,0,0,0,0|1,0,1]=2 8 B5R0.1 CC(C)CCO Z104473558 [0,0,0,0,0,0|0,0,2]=2 9 B5R0.1 CC(C)N=C=S Z56964589 [0,0,0,0,0,0|1,1,1]=3 10 B5R0.1 CC(C)NC=O Z1201617634 [0,0,0,0,0,0|1,0,0]=1 11 B5R0.1 CC(N)CC#N Z1267773800 [0,0,0,0,0,0|2,0,1]=3 12 B5R0.1 CC(N)CCO Z385458430 [0,0,0,0,0,0|1,0,2]=3 13 B5R0.1 CC(O)CC#N Z847151284 [0,0,0,0,0,0|2,0,1]=3 14 B5R0.1 CC(O)CCN Z802904114 [0,0,0,0,0,0|2,0,1]=3 15 B5R0.1 CC(O)CCO Z104473530 [0,0,0,0,0,0|1,0,2]=3 16 B5R0.1 CCCC(C)N Z2417819590 [0,0,0,0,0,0|2,0,1]=3 17 B5R0.1 CN(C)CCF Z5487577684 [0,0,0,0,0,0|2,0,1]=3 18 B5R0.1 CN(C)CCO Z104473552 [0,0,0,0,0,0|1,0,2]=3 19 B5R0.1 CN(C)CCS Z362025514 [0,0,0,0,0,0|1,1,1]=3 20 B5R0.1 CNCC(C)C Z951367674 [0,0,0,0,0,0|2,0,0]=2 21 B5R0.1 CNCC(C)N Z1413780485 [0,0,0,0,0,0|3,0,0]=3 22 B5R0.1 CNCC(C)O Z138692700 [0,0,0,0,0,0|3,0,0]=3 23 B5R0.1 CNCC(F)F Z1259341074 [0,0,0,0,0,0|4,0,0]=4 24 B5R0.1 COCC(C)O Z825742124 [0,0,0,0,0,0|3,0,0]=3 25 B5R0.1 COC[C@@H](C)N Z1270482298 [0,0,0,0,0,0|3,0,0]=3 26 B5R0.1 COC[C@H](C)N Z1270502316 [0,0,0,0,0,0|3,0,0]=3 27 B5R0.1 CS(=O)CC#N Z1198176972 [0,0,0,0,0,0|3,0,1]=4 28 B5R0.1 CS(=O)CCN Z802568576 [0,0,0,0,0,0|3,0,1]=4 29 B5R0.1 CSCC(C)O Z732208306 [0,0,0,0,0,0|3,0,0]=3 30 B5R0.1 CSCS(=O)C Z1255438413 [0,0,0,0,0,0|4,0,0]=4 31 B5R0.1 C[C@@H](N)CCO Z1526453858 [0,0,0,0,0,0|1,0,2]=3 32 B5R0.1 C[C@@H](O)CCN Z1860991703 [0,0,0,0,0,0|2,0,1]=3 33 B5R0.1 N=C(N)NC=O Z1203578554 [0,0,0,0,0,0|3,0,1]=4 34 B4R0.1 C#CC(C)O Z1251193370 [1,0,0,0,0,0|1,0,2]=4 35 B4R0.1 C=CC(=C)C Z104474660 [1,0,0,0,0,0|0,0,3]=4 36 B4R0.1 C=CC(C)N Z1446855743 [1,0,0,0,0,0|1,0,1]=3 37 B4R0.1 CC(=O)C=O Z104495190 [1,0,0,0,0,0|1,0,1]=3 38 B4R0.1 CC(=O)CN Z1262398366 [1,0,0,0,0,0|2,0,1]=4 39 B4R0.1 CC(C)NO Z1198161074 [1,0,0,0,0,0|1,0,1]=3 40 B4R0.1 CC(F)CN Z2941405027 [1,0,0,0,0,0|2,0,0]=3 41 B4R0.1 CC(N)CF Z2096088772 [1,0,0,0,0,0|2,0,0]=3 42 B4R0.1 CC(N)CN Z104474490 [1,0,0,0,0,0|2,0,0]=3 43 B4R0.1 CC(O)CN Z104477092 [1,0,0,0,0,0|2,0,0]=3 44 B4R0.1 CC(O)CO Z106938868 [1,0,0,0,0,0|1,0,1]=3 45 B4R0.1 CCC(C)N Z104472234 [1,0,0,0,0,0|1,0,1]=3 46 B4R0.1 CC[C@@H](C)O Z1203162396 [1,0,0,0,0,0|1,0,1]=3 47 B4R0.1 CN(C)C#N Z1255394988 [1,0,0,0,0,0|2,0,1]=4 48 B4R0.1 CN(C)N=O Z1255485177 [1,0,0,0,0,0|2,0,0]=3 49 B4R0.1 C[C@@H](N)CN Z3234812272 [1,0,0,0,0,0|2,0,0]=3 50 B4R0.1 C[C@@H](N)CO Z346076140 [1,0,0,0,0,0|1,0,1]=3 51 B4R0.1 C[C@@H](O)CO Z1255486379 [1,0,0,0,0,0|1,0,1]=3 52 B4R0.1 C[C@H](N)CN Z1741977335 [1,0,0,0,0,0|2,0,0]=3 53 B4R0.1 C[C@H](O)CN Z1203577967 [1,0,0,0,0,0|2,0,0]=3 54 B4R0.1 C[C@H](O)CO Z1255449993 [1,0,0,0,0,0|1,0,1]=3 55 B4R0.1 NCC(F)F Z1295543893 [1,0,0,0,0,0|3,0,0]=4 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Z1203581915 [0,1,0,0,0,0|0,0,2]=3 76 B6R0.1 CC(CO)CCN Z5410631465 [0,1,0,0,0,0|1,0,1]=3 77 B6R0.1 CCC(C)CNC Z1266854907 [0,1,0,0,0,0|2,0,0]=3 78 B6R0.1 CCC(C)N=C=S Z323038722 [0,1,0,0,0,0|1,1,1]=4 79 B6R0.1 CCC(N)CCO Z1258578227 [0,1,0,0,0,0|1,0,2]=4 80 B6R0.1 CCC(N)COC Z825742260 [0,1,0,0,0,0|3,0,0]=4 81 B6R0.1 CCC(O)CCN Z406342052 [0,1,0,0,0,0|2,0,1]=4 82 B6R0.1 CCC(O)CCO Z1198157972 [0,1,0,0,0,0|1,0,2]=4 83 B6R0.1 CCCC(C)C#N Z415654768 [0,1,0,0,0,0|1,0,2]=4 84 B6R0.1 CCCC(C)NC Z394693580 [0,1,0,0,0,0|1,0,1]=3 85 B6R0.1 CCCC(N)CC Z1642389626 [0,1,0,0,0,0|2,0,1]=4 86 B6R0.1 CCCC(N)CN Z425861040 [0,1,0,0,0,0|2,0,1]=4 87 B6R0.1 CCCC(O)CN Z419084742 [0,1,0,0,0,0|2,0,1]=4 88 B6R0.1 CCNC(C)CC Z2509351098 [0,1,0,0,0,0|2,0,1]=4 89 B6R0.1 CCOC(C)CN Z844631802 [0,1,0,0,0,0|2,0,1]=4 90 B6R0.1 CNC(C)CC#N Z666295372 [0,1,0,0,0,0|1,0,1]=3 91 B6R0.1 CNC(C)CCO Z1198266877 [0,1,0,0,0,0|0,0,2]=3 92 B6R0.1 CNC(C)COC Z815264298 [0,1,0,0,0,0|2,0,0]=3 93 B6R0.1 CNC(C)CSC Z995116552 [0,1,0,0,0,0|2,0,0]=3 94 B6R0.1 CNCC(C)OC Z2065788390 [0,1,0,0,0,0|2,0,0]=3 95 B6R0.1 CNC[C@H](O)CO Z600533638 [0,1,0,0,0,0|3,0,0]=4 96 B6R0.1 COC(C)CC#N Z847151020 [0,1,0,0,0,0|1,0,1]=3 97 B6R0.1 COC(C)CCN Z802903932 [0,1,0,0,0,0|1,0,1]=3 98 B6R0.1 COCC(C)CO Z1192375999 [0,1,0,0,0,0|2,0,0]=3 99 B6R0.1 COCC(N)CN Z1203580237 [0,1,0,0,0,0|3,0,0]=4 100 B6R0.1 COCC(N)CO Z1945984156 [0,1,0,0,0,0|3,0,0]=4 101 B6R0.1 COCC(O)CN Z271097108 [0,1,0,0,0,0|3,0,0]=4 102 B6R0.1 CSC(C)CCN Z732208464 [0,1,0,0,0,0|1,0,1]=3 103 B6R0.1 CSC(C)CCO Z1262258908 [0,1,0,0,0,0|0,0,2]=3 104 B6R0.1 CSCC(C)CN Z732208434 [0,1,0,0,0,0|2,0,0]=3 105 B6R0.1 CSCC(C)CO Z1270310211 [0,1,0,0,0,0|2,0,0]=3 106 B6R0.1 CSCC(O)CO Z1126770422 [0,1,0,0,0,0|3,0,0]=4 107 B6R0.1 NCC[C@H](F)CN Z4607150940 [0,1,0,0,0,0|2,0,1]=4 108 B6R0.2 C/C(=C/C(=O)O)/I Z1508917269 [0,1,0,0,0,0|1,0,2]=4 109 B6R0.2 C=C(C)CC(=O)O Z295890066 [0,1,0,0,0,0|0,0,2]=3 110 B6R0.2 CC(=CC(=O)N)C Z33546934 [0,1,0,0,0,0|0,0,2]=3 111 B6R0.2 CC(=CC(=O)O)C Z104480144 [0,1,0,0,0,0|0,0,2]=3 112 B6R0.2 CC(=O)/C=C(/C)\N Z56858245 [0,1,0,0,0,0|1,0,2]=4 113 B6R0.2 CC(=O)CC(C)N Z57329385 [0,1,0,0,0,0|1,0,0]=2 114 B6R0.2 CC(=O)NC(=O)N Z104476284 [0,1,0,0,0,0|2,0,1]=4 115 B6R0.2 CC(C)CB(O)O Z1098324138 [0,1,0,0,0,0|1,0,1]=3 116 B6R0.2 CC(C)CC(=N)N Z1346385639 [0,1,0,0,0,0|1,0,0]=2 117 B6R0.2 CC(C)CC(=O)N Z33546511 [0,1,0,0,0,0|0,0,0]=1 118 B6R0.2 CC(C)CC(=O)O Z104474910 [0,1,0,0,0,0|0,0,0]=1 119 B6R0.2 CC(C)NC(=N)N Z1650168329 [0,1,0,0,0,0|2,0,0]=3 120 B6R0.2 CC(C)NC(=O)N Z56887677 [0,1,0,0,0,0|1,0,0]=2 121 B6R0.2 CC(C)NC(=S)N Z56979374 [0,1,0,0,0,0|1,1,0]=3 122 B6R0.2 CC(N)CC(=O)N Z594220690 [0,1,0,0,0,0|1,0,0]=2 123 B6R0.2 CC(N)CC(=O)O Z147647144 [0,1,0,0,0,0|1,0,0]=2 124 B6R0.2 CC(N)CS(=O)C Z1238793449 [0,1,0,0,0,0|2,0,0]=3 125 B6R0.2 CN(C)CC(=O)N Z54750057 [0,1,0,0,0,0|1,0,0]=2 126 B6R0.2 CN(C)CC(=O)O Z235580496 [0,1,0,0,0,0|1,0,0]=2 127 B6R0.2 CS(=O)CC(=O)N Z1203581973 [0,1,0,0,0,0|2,0,0]=3 128 B6R0.2 C[C@H](N)CC(=O)O Z1741969208 [0,1,0,0,0,0|1,0,0]=2 129 B6R0.2 N=C(N)CC(=O)N Z104480060 [0,1,0,0,0,0|2,0,1]=4 130 B6R0.2 NC(=O)CC(=O)N Z104473780 [0,1,0,0,0,0|2,0,1]=4 131 B6R0.2 NC(=O)CC(=O)O Z963467736 [0,1,0,0,0,0|2,0,1]=4 132 B6R0.2 O=C(O)CC(=O)O Z57965450 [0,1,0,0,0,0|2,0,1]=4 133 B6R0.3 C#CC(C)N(C)C Z4928730999 [0,1,0,0,0,0|2,0,1]=4 134 B6R0.3 C#CC(N)C(C)C Z1982493902 [0,1,0,0,0,0|1,0,1]=3 135 B6R0.3 C#C[C@@H](N)C(C)C Z4351247948 [0,1,0,0,0,0|1,0,1]=3 136 B6R0.3 CC(C)C(=O)NN Z56926537 [0,1,0,0,0,0|2,0,1]=4 137 B6R0.3 CC(C)C(C)C#N Z415654752 [0,1,0,0,0,0|1,0,1]=3 138 B6R0.3 CC(C)C(C)CN Z415654990 [0,1,0,0,0,0|1,0,1]=3 139 B6R0.3 CC(C)C(N)C#N Z1266854874 [0,1,0,0,0,0|1,0,1]=3 140 B6R0.3 CC(C)C(N)CN Z1266933925 [0,1,0,0,0,0|1,0,1]=3 141 B6R0.3 CC(C)C(O)C#N Z802900598 [0,1,0,0,0,0|1,0,1]=3 142 B6R0.3 CC(C)C(O)CN Z1255523288 [0,1,0,0,0,0|1,0,1]=3 143 B6R0.3 CC(C)N(C)C=O Z1258520821 [0,1,0,0,0,0|1,0,0]=2 144 B6R0.3 CC(C)[C@@H](N)C#N Z1695797928 [0,1,0,0,0,0|1,0,1]=3 145 B6R0.3 CC(C)[C@H](N)C#N Z1708090079 [0,1,0,0,0,0|1,0,1]=3 146 B6R0.3 CC(C)[C@H](N)CO Z1741982893 [0,1,0,0,0,0|0,0,2]=3 147 B6R0.3 CC(CN)N(C)C Z367452450 [0,1,0,0,0,0|2,0,1]=4 148 B6R0.3 CC(N)C(C)CO Z1203581847 [0,1,0,0,0,0|1,0,2]=4 149 B6R0.3 CC(O)C(N)CN Z1250080890 [0,1,0,0,0,0|2,0,1]=4 150 B6R0.3 CCC(C)C(C)N Z335455612 [0,1,0,0,0,0|2,0,1]=4 151 B6R0.3 CCC(N)C(C)C Z823287438 [0,1,0,0,0,0|1,0,1]=3 152 B6R0.3 CCC(O)C(C)C Z445987082 [0,1,0,0,0,0|1,0,1]=3 153 B6R0.3 CCC(O)C(C)O Z1251352132 [0,1,0,0,0,0|2,0,1]=4 154 B6R0.3 CNC(C)C(C)C Z139701846 [0,1,0,0,0,0|2,0,0]=3 155 B6R0.3 COC(=N)C(C)C Z2944341356 [0,1,0,0,0,0|2,0,1]=4 156 B6R0.3 COC(C)[C@@H](C)N Z2160914955 [0,1,0,0,0,0|3,0,0]=4 157 B6R0.3 COC(C)[C@H](C)N Z1795817829 [0,1,0,0,0,0|3,0,0]=4 158 B6R0.3 CSC(C)C(C)O Z1273036711 [0,1,0,0,0,0|3,0,0]=4 159 B6R0.4 C#CCCC(C)O Z854048672 [0,1,0,0,0,0|2,0,1]=4 160 B6R0.4 C#CCNC(C)C Z2855995857 [0,1,0,0,0,0|1,0,1]=3 161 B6R0.4 C=CCCC(=O)C Z406376894 [0,1,0,0,0,0|2,0,1]=4 162 B6R0.4 C=CCCC(C)N Z3681295487 [0,1,0,0,0,0|2,0,0]=3 163 B6R0.4 C=CCNC(=O)C Z32064466 [0,1,0,0,0,0|2,0,1]=4 164 B6R0.4 C=CCNC(C)C Z607822478 [0,1,0,0,0,0|1,0,0]=2 165 B6R0.4 C=COCC(C)C Z916978390 [0,1,0,0,0,0|1,0,0]=2 166 B6R0.4 CC#CCC(C)N Z975788700 [0,1,0,0,0,0|2,0,1]=4 167 B6R0.4 CC(C)CCCN Z992716898 [0,1,0,0,0,0|1,0,1]=3 168 B6R0.4 CC(C)CN=C=S Z87001659 [0,1,0,0,0,0|0,1,1]=3 169 B6R0.4 CC(C)NCC#N Z224190250 [0,1,0,0,0,0|1,0,1]=3 170 B6R0.4 CC(C)NCCN Z3375885739 [0,1,0,0,0,0|1,0,1]=3 171 B6R0.4 CC(C)NCCO Z137800940 [0,1,0,0,0,0|0,0,2]=3 172 B6R0.4 CC(C)OCC#N Z295206482 [0,1,0,0,0,0|1,0,1]=3 173 B6R0.4 CC(C)OCCN Z1688198421 [0,1,0,0,0,0|1,0,1]=3 174 B6R0.4 CC(C)OCCO Z104478444 [0,1,0,0,0,0|0,0,2]=3 175 B6R0.4 CC(C)SCCN Z2092369402 [0,1,0,0,0,0|1,0,1]=3 176 B6R0.4 CC(N)CCCN Z2230911100 [0,1,0,0,0,0|2,0,1]=4 177 B6R0.4 CC(N)CCCO Z1203578676 [0,1,0,0,0,0|1,0,2]=4 178 B6R0.4 CC(O)CCCN Z1198178891 [0,1,0,0,0,0|2,0,1]=4 179 B6R0.4 CCCCC(C)N Z3300506318 [0,1,0,0,0,0|2,0,1]=4 180 B6R0.4 CCNCC(C)C Z380844664 [0,1,0,0,0,0|1,0,1]=3 181 B6R0.4 CCNCC(C)O Z138692768 [0,1,0,0,0,0|2,0,1]=4 182 B6R0.4 CCOCC(C)N Z839575202 [0,1,0,0,0,0|2,0,1]=4 183 B6R0.4 CCSCC(C)N Z1203641186 [0,1,0,0,0,0|2,0,1]=4 184 B6R0.4 CN(C)CCC#N Z57980324 [0,1,0,0,0,0|2,0,1]=4 185 B6R0.4 CNCCC(C)C Z607822512 [0,1,0,0,0,0|1,0,1]=3 186 B6R0.4 CNCCC(C)O Z1203731868 [0,1,0,0,0,0|2,0,1]=4 187 B6R0.4 CNCCN(C)C Z138123106 [0,1,0,0,0,0|2,0,1]=4 188 B6R0.4 COCCC(C)N Z361881180 [0,1,0,0,0,0|1,0,2]=4 189 B6R0.4 COCCC(C)O Z818738042 [0,1,0,0,0,0|1,0,2]=4 190 B6R0.4 COCCN(C)C Z5121096537 [0,1,0,0,0,0|1,0,2]=4 191 B6R0.5 C#CCC(C)(C)N Z3210767531 [0,1,0,0,0,0|1,0,1]=3 192 B6R0.5 C#CCC(C)(C)O Z1098923701 [0,1,0,0,0,0|1,0,1]=3 193 B6R0.5 CC#CC(C)(C)N Z1203578926 [0,1,0,0,0,0|1,0,2]=4 194 B6R0.5 CC(C)(F)CCN Z2515207542 [0,1,0,0,0,0|1,0,1]=3 195 B6R0.5 CC(C)(N)/C=C/Cl Z2827897660 [0,1,0,0,0,0|1,0,1]=3 196 B6R0.5 CC(C)(N)CCF Z4297373689 [0,1,0,0,0,0|1,0,1]=3 197 B6R0.5 CC(C)(N)CCN Z2218555716 [0,1,0,0,0,0|1,0,1]=3 198 B6R0.5 CC(C)(N)CCO Z1198183553 [0,1,0,0,0,0|0,0,2]=3 199 B6R0.5 CC(C)(O)CC#N Z1182322175 [0,1,0,0,0,0|1,0,1]=3 200 B6R0.5 CC(F)(F)CCN Z2230911674 [0,1,0,0,0,0|2,0,1]=4 201 B6R0.5 CCCC(C)(C)N Z1262250787 [0,1,0,0,0,0|1,0,1]=3 202 B6R0.5 CCCC(C)(C)O Z449374450 [0,1,0,0,0,0|1,0,1]=3 203 B6R0.5 CNCC(C)(C)C Z992717054 [0,1,0,0,0,0|2,0,0]=3 204 B6R0.5 CNCC(C)(C)O Z600453550 [0,1,0,0,0,0|2,0,0]=3 205 B6R0.5 COCC(C)(C)N Z1258578421 [0,1,0,0,0,0|2,0,0]=3 206 B6R0.5 C[N+](C)(C)CCBr Z1269136668 [0,1,0,0,0,0|2,0,1]=4 207 B6R0.5 C[N+](C)(C)CCF Z1255450613 [0,1,0,0,0,0|2,0,1]=4 208 B6R0.5 C[N+](C)(C)CCO Z2758800560 [0,1,0,0,0,0|1,0,2]=4 209 B6R1.2 CC1CCCN1 Z1274177652 [0,0,0,1,0,0|2,0,1]=4 210 B6R1.2 CC1CCNC1 Z729771722 [0,0,0,1,0,0|1,0,1]=3 211 B6R1.2 CC1CNNC1 Z4953319766 [0,0,0,1,0,0|2,0,0]=3 212 B6R1.2 FC1CCNC1 Z1139751347 [0,0,0,1,0,0|2,0,1]=4 213 B6R1.2 NC1C=CCC1 Z2679312470 [0,0,0,1,0,0|2,0,1]=4 214 B6R1.2 NC1CC=CC1 Z1416200863 [0,0,0,1,0,0|2,0,0]=3 215 B6R1.2 NC1CCOC1 Z802544198 [0,0,0,1,0,0|1,0,2]=4 216 B6R1.2 NC1CCSC1 Z1267885911 [0,0,0,1,0,0|1,1,1]=4 217 B6R1.2 N[C@@H]1C=CCC1 Z1203585093 [0,0,0,1,0,0|2,0,1]=4 218 B6R1.2 OC1C=CCC1 Z1255485846 [0,0,0,1,0,0|2,0,1]=4 219 B6R1.2 OC1CCOC1 Z1124541349 [0,0,0,1,0,0|1,0,2]=4 220 B6R1.2 OC1CCSC1 Z335244836 [0,0,0,1,0,0|1,1,1]=4 221 B6R1.2 O[C@@H]1CCNC1 Z1263714129 [0,0,0,1,0,0|2,0,1]=4 222 B6R1.2 O[C@H]1CCNC1 Z1263714116 [0,0,0,1,0,0|2,0,1]=4 223 B6R1.3 ClCCC1CO1 Z1205657512 [0,0,0,1,0,0|2,0,1]=4 224 B6R1.3 NCCC1CC1 Z1267773823 [0,0,0,1,0,0|1,0,1]=3 225 B6R1.3 O=C=NC1CC1 Z316172632 [0,0,0,1,0,0|1,0,1]=3 226 B6R1.3 O=CCC1CC1 Z905066058 [0,0,0,1,0,0|0,0,0]=1 227 B6R1.3 OCCC1CC1 Z826525694 [0,0,0,1,0,0|0,0,2]=3 228 B6R1.5 CC1CC(C1)N Z1357823942 [0,0,0,1,0,0|1,0,1]=3 229 B6R1.5 CC1CC(N1)C Z2143576622 [0,0,0,1,0,0|2,0,1]=4 230 B6R1.5 CN1CC(C1)N Z1741969265 [0,0,0,1,0,0|2,0,1]=4 231 B6R1.5 NC1CC(C1)N Z1511513968 [0,0,0,1,0,0|2,0,1]=4 232 B6R1.5 N[C@H]1C[C@@H](C1)N Z3244521251 [0,0,0,1,0,0|2,0,1]=4 233 B6R1.5 N[C@H]1C[C@H](C1)F Z3015579885 [0,0,0,1,0,0|2,0,1]=4 234 B6R1.5 N[C@H]1C[C@H](C1)O Z1416282421 [0,0,0,1,0,0|1,0,2]=4 235 B6R1.5 O[C@H]1C[C@H](C1)O Z2065357735 [0,0,0,1,0,0|1,0,2]=4 236 B6R1.8 CC1CC1C#N Z1079178904 [0,0,0,1,0,0|1,0,1]=3 237 B6R1.8 CC1CC1C=O Z1079442440 [0,0,0,1,0,0|0,0,0]=1 238 B6R1.8 CC1CC1CN Z415636622 [0,0,0,1,0,0|1,0,1]=3 239 B6R1.8 CC1CC1CO Z397587430 [0,0,0,1,0,0|0,0,2]=3 240 B6R1.8 CC1OC1CCl Z1205657581 [0,0,0,1,0,0|2,0,1]=4 241 B6R1.8 C[C@H]1C[C@@H]1C=O Z1511765506 [0,0,0,1,0,0|0,0,0]=1 242 B6R1.8 C[C@H]1C[C@H]1C=O Z1511760860 [0,0,0,1,0,0|0,0,0]=1 243 B6R1.8 N[C@@H]1C[C@H]1CF Z3085640372 [0,0,0,1,0,0|2,0,1]=4 244 B6R1.8 O=CC1CC1Cl Z1262480603 [0,0,0,1,0,0|1,0,0]=2 245 B6R1.8 O=C[C@@H]1C[C@H]1Cl Z4541248007 [0,0,0,1,0,0|1,0,0]=2 246 B6R1.9 CC1(CC1N)C Z1259335876 [0,0,0,1,0,0|1,0,1]=3 247 B6R1.9 CC1OC1(C)C Z1255419606 [0,0,0,1,0,0|2,0,1]=4 248 B6R1.10 CC1(CCC1)N Z1741969618 [0,0,0,1,0,0|2,0,1]=4 249 B6R1.10 CC1(CCC1)O Z1241455013 [0,0,0,1,0,0|2,0,1]=4 250 B6R1.10 CC1(CCN1)C Z1198749898 [0,0,0,1,0,0|1,0,1]=3 251 B6R1.10 CC1(CNC1)C Z2142036999 [0,0,0,1,0,0|2,0,0]=3 252 B6R1.10 CC1(CNC1)F Z1964347522 [0,0,0,1,0,0|3,0,0]=4 253 B6R1.11 CC(C)C1CO1 Z1020679856 [0,0,0,1,0,0|0,0,2]=3 254 B6R1.11 CC(N)C1CC1 Z89283349 [0,0,0,1,0,0|2,0,1]=4 255 B3R0.1 C=CCO Z104473976 [2,0,0,0,0,0|1,0,1]=4 256 B3R0.1 NCCF Z1966571823 [2,0,0,0,0,0|2,0,0]=4 257 B3R0.1 NCCN Z104473714 [2,0,0,0,0,0|2,0,0]=4 258 B3R0.1 NCCO Z104473700 [2,0,0,0,0,0|1,0,1]=4 259 B3R0.1 NCCS Z104474494 [2,0,0,0,0,0|1,1,0]=4 260 B3R0.1 OCCS Z104473584 [2,0,0,0,0,0|1,0,1]=4 261 B3R0.2 CC(=O)N Z33546370 [2,0,0,0,0,0|1,0,1]=4 262 B3R0.2 CC(=O)O Z1954803614 [2,0,0,0,0,0|1,0,1]=4 263 B3R0.2 CC(=O)[S-] Z1142554016 [2,0,0,0,0,0|1,0,1]=4 264 B5R0.3 C=CC(N)CO Z2146514374 [1,1,0,0,0,0|1,0,1]=4 265 B5R0.3 CC(C#N)CO Z406338220 [1,1,0,0,0,0|0,0,2]=4 266 B5R0.3 CC(CN)CN Z951173758 [1,1,0,0,0,0|1,0,0]=3 267 B5R0.3 CC(CN)CO Z406342068 [1,1,0,0,0,0|0,0,1]=3 268 B5R0.3 CC(CO)CS Z1262475362 [1,1,0,0,0,0|0,0,1]=3 269 B5R0.3 CCC(C)CN Z2350903977 [1,1,0,0,0,0|0,0,1]=3 270 B5R0.3 CCC(C)NC Z594038230 [1,1,0,0,0,0|0,0,1]=3 271 B5R0.3 CCC(N)CN Z1263714131 [1,1,0,0,0,0|1,0,1]=4 272 B5R0.3 CCC(N)CO Z104474862 [1,1,0,0,0,0|1,0,1]=4 273 B5R0.3 CCC(O)CN Z419084746 [1,1,0,0,0,0|1,0,1]=4 274 B5R0.3 CCC(O)CO Z600450538 [1,1,0,0,0,0|1,0,1]=4 275 B5R0.3 CCN(C)C=O Z1258520870 [1,1,0,0,0,0|1,0,0]=3 276 B5R0.3 CCN(C)N=O Z1198147516 [1,1,0,0,0,0|2,0,0]=4 277 B5R0.3 CC[C@@H](N)CO Z1203162359 [1,1,0,0,0,0|1,0,1]=4 278 B5R0.3 CC[C@H](N)CO Z1203162358 [1,1,0,0,0,0|1,0,1]=4 279 B5R0.3 CNC(C)CN Z941154208 [1,1,0,0,0,0|1,0,0]=3 280 B5R0.3 COC(C)CN Z1795817756 [1,1,0,0,0,0|1,0,0]=3 281 B5R0.3 COC(C)CO Z1198150719 [1,1,0,0,0,0|0,0,1]=3 282 B5R0.3 CSC(C)CN Z844632970 [1,1,0,0,0,0|1,0,0]=3 283 B5R0.3 CSC(C)CO Z1273053291 [1,1,0,0,0,0|0,0,1]=3 284 B5R0.3 NC(CO)CO Z1203577940 [1,1,0,0,0,0|1,0,1]=4 285 B5R0.3 NCC(F)CN Z2733320873 [1,1,0,0,0,0|2,0,0]=4 286 B5R0.3 NCC(N)CN Z1203578196 [1,1,0,0,0,0|2,0,0]=4 287 B5R0.3 NCC(O)CF Z2311274712 [1,1,0,0,0,0|2,0,0]=4 288 B5R0.3 OCC(O)CO Z104473548 [1,1,0,0,0,0|1,0,1]=4 289 B5R0.3 OCC(O)CS Z1255382958 [1,1,0,0,0,0|1,0,1]=4 290 B5R0.4 C#CC(C)(C)O Z1245735173 [1,1,0,0,0,0|0,0,2]=4 291 B5R0.4 C=CC(C)(C)N Z2940715337 [1,1,0,0,0,0|0,0,1]=3 292 B5R0.4 CC(C)(C)C#N Z278179882 [1,1,0,0,0,0|1,0,1]=4 293 B5R0.4 CC(C)(C)CN Z291234094 [1,1,0,0,0,0|1,0,0]=3 294 B5R0.4 CC(C)(C)CO Z397587176 [1,1,0,0,0,0|0,0,1]=3 295 B5R0.4 CC(C)(F)C#N Z1198369138 [1,1,0,0,0,0|1,0,1]=4 296 B5R0.4 CC(C)(N)C#N Z57176535 [1,1,0,0,0,0|1,0,1]=4 297 B5R0.4 CC(C)(N)CN Z1266854946 [1,1,0,0,0,0|1,0,0]=3 298 B5R0.4 CC(C)(O)C#N Z104473082 [1,1,0,0,0,0|1,0,1]=4 299 B5R0.4 CC(C)(O)CO Z600454414 [1,1,0,0,0,0|0,0,1]=3 300 B5R0.4 CC(F)(F)CN Z1201623622 [1,1,0,0,0,0|2,0,0]=4 301 B5R0.4 CCC(C)(C)N Z104480062 [1,1,0,0,0,0|0,0,1]=3 302 B5R0.4 CCC(C)(C)O Z104473496 [1,1,0,0,0,0|0,0,1]=3 303 B5R0.5 CC(=N)N(C)C Z1428159819 [1,1,0,0,0,0|2,0,0]=4 304 B5R0.5 CC(=O)C(=O)O Z104495240 [1,1,0,0,0,0|1,0,1]=4 305 B5R0.5 CC(=O)C(C)N Z1263529525 [1,1,0,0,0,0|1,0,0]=3 306 B5R0.5 CC(Br)C(=O)O Z57127555 [1,1,0,0,0,0|1,0,0]=3 307 B5R0.5 CC(C)C(=N)N Z381357616 [1,1,0,0,0,0|1,0,0]=3 308 B5R0.5 CC(C)C(=O)N Z57046209 [1,1,0,0,0,0|0,0,0]=2 309 B5R0.5 CC(C)C(=O)O Z104473380 [1,1,0,0,0,0|0,0,0]=2 310 B5R0.5 CC(C)[N+](=O)[O-] Z104474978 [1,1,0,0,0,0|1,0,0]=3 311 B5R0.5 CC(Cl)C(=O)N Z56924427 [1,1,0,0,0,0|1,0,0]=3 312 B5R0.5 CC(Cl)C(=O)O Z147646840 [1,1,0,0,0,0|1,0,0]=3 313 B5R0.5 CC(N)C(=O)N Z54749436 [1,1,0,0,0,0|1,0,0]=3 314 B5R0.5 CC(N)C(=O)O Z57396987 [1,1,0,0,0,0|1,0,0]=3 315 B5R0.5 CC(N)C(C)N Z2335631664 [1,1,0,0,0,0|1,0,1]=4 316 B5R0.5 CC(O)C(=N)N Z2216711526 [1,1,0,0,0,0|2,0,0]=4 317 B5R0.5 CC(O)C(=O)N Z57206008 [1,1,0,0,0,0|1,0,0]=3 318 B5R0.5 CC(O)C(C)O Z104473532 [1,1,0,0,0,0|1,0,1]=4 319 B5R0.5 CC(S)C(=O)O Z104477082 [1,1,0,0,0,0|1,0,0]=3 320 B5R0.5 CN(C)C(=N)N Z1839480548 [1,1,0,0,0,0|2,0,0]=4 321 B5R0.5 CN(C)C(=S)N Z56347524 [1,1,0,0,0,0|1,1,0]=4 322 B5R0.5 C[C@@H](N)C(=O)O Z802692914 [1,1,0,0,0,0|1,0,0]=3 323 B5R0.5 C[C@H](N)C(=O)N Z359371050 [1,1,0,0,0,0|1,0,0]=3 324 B5R0.5 C[C@H](N)C(=O)O Z756424912 [1,1,0,0,0,0|1,0,0]=3 325 B5R0.5 NC(=O)C(F)F Z33546481 [1,1,0,0,0,0|2,0,0]=4 326 B5R0.5 O=C(O)C(Cl)Cl Z104476414 [1,1,0,0,0,0|2,0,0]=4 327 B5R0.5 O=C(O)C(F)F Z104474070 [1,1,0,0,0,0|2,0,0]=4 328 B5R0.2 C#CCCCN Z1945700461 [1,1,0,0,0,0|1,0,1]=4 329 B5R0.2 C#CCCNC Z3270794267 [1,1,0,0,0,0|1,0,1]=4 330 B5R0.2 C#CCNCC Z815264056 [1,1,0,0,0,0|1,0,1]=4 331 B5R0.2 C/C=C/CCN Z1268152372 [1,1,0,0,0,0|1,0,1]=4 332 B5R0.2 C/C=C/OCC Z281777810 [1,1,0,0,0,0|1,0,1]=4 333 B5R0.2 C=CCCC#N Z1219746591 [1,1,0,0,0,0|1,0,1]=4 334 B5R0.2 C=CCCCN Z993058434 [1,1,0,0,0,0|1,0,0]=3 335 B5R0.2 C=CCNCC Z2044769224 [1,1,0,0,0,0|1,0,0]=3 336 B5R0.2 CCCCC=O Z104472992 [1,1,0,0,0,0|0,0,0]=2 337 B5R0.2 CCCCCN Z104472246 [1,1,0,0,0,0|1,0,1]=4 338 B5R0.2 CCCNCC Z138446288 [1,1,0,0,0,0|1,0,1]=4 339 B5R0.2 CCNCC#N Z235583784 [1,1,0,0,0,0|1,0,1]=4 340 B5R0.2 CCNCCF Z1198305484 [1,1,0,0,0,0|1,0,1]=4 341 B5R0.2 CCNCCO Z1258992395 [1,1,0,0,0,0|0,0,2]=4 342 B5R0.2 CCOCC#N Z295205412 [1,1,0,0,0,0|1,0,1]=4 343 B5R0.2 CCOCCN Z271005962 [1,1,0,0,0,0|1,0,1]=4 344 B5R0.2 CCOCCO Z104473122 [1,1,0,0,0,0|0,0,2]=4 345 B5R0.2 CCSCCN Z3061111063 [1,1,0,0,0,0|1,0,1]=4 346 B5R0.2 CNCCCO Z104756980 [1,1,0,0,0,0|0,0,2]=4 347 B5R0.2 CNCCOC Z1259162131 [1,1,0,0,0,0|2,0,0]=4 348 B5R0.2 CNCCSC Z1398461959 [1,1,0,0,0,0|2,0,0]=4 349 B5R0.2 COCCC#N Z277467992 [1,1,0,0,0,0|1,0,1]=4 350 B5R0.2 COCCCO Z431517702 [1,1,0,0,0,0|0,0,2]=4 351 B5R0.2 COCCOC Z104473014 [1,1,0,0,0,0|2,0,0]=4 352 B5R0.2 N#CCCCN Z1649677743 [1,1,0,0,0,0|1,0,1]=4 353 B5R0.2 N#CCCCO Z385458622 [1,1,0,0,0,0|1,0,1]=4 354 B5R0.2 NCCCCF Z2177031126 [1,1,0,0,0,0|1,0,1]=4 355 B5R0.2 NCCCCN Z104472592 [1,1,0,0,0,0|1,0,1]=4 356 B7R0.2 CC(=O)CC(C)C#N Z1258995681 [0,2,0,0,0,0|0,0,1]=3 357 B7R0.2 CC(C#N)NC(=O)N Z756364694 [0,2,0,0,0,0|1,0,1]=4 358 B7R0.2 CC(C)CC(C)C#N Z415654744 [0,2,0,0,0,0|1,0,1]=4 359 B7R0.2 CC(C)CC(C)CO Z1198147790 [0,2,0,0,0,0|0,0,2]=4 360 B7R0.2 CC(C)CC(N)C#N Z449369050 [0,2,0,0,0,0|1,0,1]=4 361 B7R0.2 CC(C)CC(N)CN Z425861052 [0,2,0,0,0,0|1,0,1]=4 362 B7R0.2 CC(C)CC(N)CO Z734151210 [0,2,0,0,0,0|0,0,2]=4 363 B7R0.2 CC(C)CC(O)CN Z1259162114 [0,2,0,0,0,0|0,0,2]=4 364 B7R0.2 CC(C)NC(=O)CN Z316170536 [0,2,0,0,0,0|1,0,0]=3 365 B7R0.2 CC(C)NC(=O)CO Z431952044 [0,2,0,0,0,0|1,0,0]=3 366 B7R0.2 CC(C)NC(=S)NN Z56851229 [0,2,0,0,0,0|1,1,0]=4 367 B7R0.2 CC(C)OC(=O)CN Z1245635749 [0,2,0,0,0,0|1,0,0]=3 368 B7R0.2 CC(CN)CC(=O)O Z1436472873 [0,2,0,0,0,0|0,0,0]=2 369 B7R0.2 CC(CN)CC(F)F Z2379696713 [0,2,0,0,0,0|1,0,1]=4 370 B7R0.2 CC(CN)CN(C)C Z406338972 [0,2,0,0,0,0|2,0,0]=4 371 B7R0.2 CC(CO)CC(F)F Z2285508033 [0,2,0,0,0,0|1,0,1]=4 372 B7R0.2 CC(O)CC(C)CN Z1245536559 [0,2,0,0,0,0|0,0,2]=4 373 B7R0.2 CC/C(=C/C(=O)O)/C Z2583321519 [0,2,0,0,0,0|0,0,2]=4 374 B7R0.2 CCC(=O)CC(=O)C Z1013699870 [0,2,0,0,0,0|1,0,1]=4 375 B7R0.2 CCC(C)CC(=O)O Z352782882 [0,2,0,0,0,0|0,0,0]=2 376 B7R0.2 CCC(C)CC(C)N Z2472857681 [0,2,0,0,0,0|1,0,1]=4 377 B7R0.2 CCC(C)NC(=O)N Z56979270 [0,2,0,0,0,0|1,0,0]=3 378 B7R0.2 CCC(C)NC(=S)N Z56907642 [0,2,0,0,0,0|1,1,0]=4 379 B7R0.2 CCC(N)CC(=O)O Z1708090940 [0,2,0,0,0,0|1,0,0]=3 380 B7R0.2 CCN(C)CC(=O)O Z1459897022 [0,2,0,0,0,0|1,0,0]=3 381 B7R0.2 CN(C)C/C(=N/O)/N Z432067012 [0,2,0,0,0,0|1,0,1]=4 382 B7R0.2 CN(CC(=O)O)N=O Z1198151307 [0,2,0,0,0,0|2,0,0]=4 383 B7R0.2 CNC(=N)CC(C)C Z4121959005 [0,2,0,0,0,0|1,0,0]=3 384 B7R0.2 CNC(=O)CC(=O)O Z963467722 [0,2,0,0,0,0|1,0,1]=4 385 B7R0.2 CNC(=O)CC(C)N Z1457935170 [0,2,0,0,0,0|1,0,0]=3 386 B7R0.2 CNC(C)CC(=O)N Z3070230004 [0,2,0,0,0,0|0,0,0]=2 387 B7R0.2 COC(=O)CC(C)N Z169856728 [0,2,0,0,0,0|1,0,0]=3 388 B7R0.2 COC(C)CC(=O)O Z431536426 [0,2,0,0,0,0|0,0,0]=2 389 B7R0.2 NCC(O)CC(=O)O Z1255390571 [0,2,0,0,0,0|1,0,0]=3 390 B7R0.2 NC[C@@H](O)CC(=O)O Z1203578293 [0,2,0,0,0,0|1,0,0]=3 391 B7R0.2 NC[C@H](O)CC(=O)O Z1198160294 [0,2,0,0,0,0|1,0,0]=3 392 B7R0.3 C/C=C/CC(N)CO Z1718361642 [0,2,0,0,0,0|2,0,0]=4 393 B7R0.3 CC(CN)CCCO Z2234185702 [0,2,0,0,0,0|0,0,2]=4 394 B7R0.3 CCC(C)NCCO Z335251014 [0,2,0,0,0,0|0,0,2]=4 395 B7R0.3 CCCCC(C)NC Z446022384 [0,2,0,0,0,0|1,0,1]=4 396 B7R0.3 CCNCC(C)CC Z335456758 [0,2,0,0,0,0|1,0,1]=4 397 B7R0.3 CCSCC(C)NC Z1238713281 [0,2,0,0,0,0|1,0,1]=4 398 B7R0.3 COCCC(C)CN Z879061310 [0,2,0,0,0,0|0,0,2]=4 399 B7R0.5 C#CCC(O)C(C)C Z969111562 [0,2,0,0,0,0|1,0,1]=4 400 B7R0.5 C#CCN(C)C(C)C Z2863519293 [0,2,0,0,0,0|1,0,1]=4 401 B7R0.5 C/C(=C\CO)/C(C)C Z1896171007 [0,2,0,0,0,0|0,0,2]=4 402 B7R0.5 CC(C)C(=O)CC#N Z319444036 [0,2,0,0,0,0|1,0,1]=4 403 B7R0.5 CC(C)C(C)CCN Z4760484132 [0,2,0,0,0,0|1,0,1]=4 404 B7R0.5 CC(C)C(N)CCO Z979743766 [0,2,0,0,0,0|0,0,2]=4 405 B7R0.5 CC(C)C(O)CC#N Z1255499091 [0,2,0,0,0,0|1,0,1]=4 406 B7R0.5 CC(C)C(O)CCN Z1203588096 [0,2,0,0,0,0|1,0,1]=4 407 B7R0.5 CC(C)C(O)CCO Z1532770488 [0,2,0,0,0,0|0,0,2]=4 408 B7R0.5 CC(CCN)C(F)F Z3633566314 [0,2,0,0,0,0|1,0,1]=4 409 B7R0.5 CC(CCN)S(=O)C Z1431460424 [0,2,0,0,0,0|1,0,1]=4 410 B7R0.5 CC(NC=O)C(=O)O Z56757230 [0,2,0,0,0,0|1,0,1]=4 411 B7R0.5 CCCC(C)C(C)N Z2737299926 [0,2,0,0,0,0|1,0,1]=4 412 B7R0.5 CCNC(C)C(C)C Z910842872 [0,2,0,0,0,0|1,0,1]=4 413 B7R0.5 CNCC(C)C(C)C Z3894049929 [0,2,0,0,0,0|1,0,1]=4 414 B7R0.5 CNCC(N)C(C)C Z756920458 [0,2,0,0,0,0|1,0,1]=4 415 B7R0.5 COCC(=O)C(C)C Z825742022 [0,2,0,0,0,0|2,0,0]=4 416 B7R0.5 COCC(N)C(C)C Z825742262 [0,2,0,0,0,0|0,0,2]=4 417 B7R0.7 CCCC(C)CCN Z2768767726 [0,2,0,0,0,0|1,0,1]=4 418 B7R0.7 CCCC(C)CNC Z3214687920 [0,2,0,0,0,0|1,0,1]=4 419 B7R0.7 CCNC(C)COC Z1245537976 [0,2,0,0,0,0|2,0,0]=4 420 B7R0.7 CNCC(C)COC Z905006554 [0,2,0,0,0,0|2,0,0]=4 421 B7R0.10 CCC(C)C(N)CO Z1255523308 [0,2,0,0,0,0|0,0,2]=4 422 B7R0.10 CCC(C)C(O)CC Z1138194601 [0,2,0,0,0,0|1,0,1]=4 423 B7R0.10 CCC(C)C(O)CN Z802901690 [0,2,0,0,0,0|1,0,1]=4 424 B7R0.11 C#CCC(C)(C)CN Z2786076871 [0,2,0,0,0,0|1,0,1]=4 425 B7R0.11 C#CCC(C)(O)CC Z1098923702 [0,2,0,0,0,0|1,0,1]=4 426 B7R0.11 C=CCC(C)(C)CN Z2211231731 [0,2,0,0,0,0|1,0,0]=3 427 B7R0.11 C=CCC(C)(C)CO Z1255384026 [0,2,0,0,0,0|1,0,0]=3 428 B7R0.11 CC(C)(CN)CCO Z1203583786 [0,2,0,0,0,0|0,0,2]=4 429 B7R0.11 CC(C)(CO)CC#N Z1198174423 [0,2,0,0,0,0|1,0,1]=4 430 B7R0.11 CC(C)(CO)CCN Z2234185673 [0,2,0,0,0,0|1,0,1]=4 431 B7R0.11 CC(O)(CO)CCO Z1238572721 [0,2,0,0,0,0|0,0,2]=4 432 B7R0.11 CCC(C)(C)CCN Z2724442932 [0,2,0,0,0,0|1,0,1]=4 433 B7R0.11 CCC(C)(C)CCO Z1198160090 [0,2,0,0,0,0|0,0,2]=4 434 B7R0.11 CCC(C)(N)COC Z4185518785 [0,2,0,0,0,0|2,0,0]=4 435 B7R0.11 CCCC(C)(N)CO Z734150846 [0,2,0,0,0,0|1,0,1]=4 436 B7R0.11 CNC(C)(C)COC Z1093758072 [0,2,0,0,0,0|2,0,0]=4 437 B7R0.11 CNCC(C)(C)CO Z1198235262 [0,2,0,0,0,0|2,0,0]=4 438 B7R0.11 CNCC(C)(C)NC Z4308916979 [0,2,0,0,0,0|2,0,0]=4 439 B7R0.11 COC(C)(C)CCN Z2739025483 [0,2,0,0,0,0|1,0,1]=4 440 B7R0.11 COCC(C)(C)C#N Z1255429538 [0,2,0,0,0,0|2,0,0]=4 441 B7R0.11 COCC(C)(C)CN Z2188171555 [0,2,0,0,0,0|2,0,0]=4 442 B7R0.11 COCC(C)(C)CO Z1198238137 [0,2,0,0,0,0|2,0,0]=4 443 B7R0.11 COCC(C)(N)CN Z992447310 [0,2,0,0,0,0|2,0,0]=4 444 B7R0.11 COCC(C)(N)CO Z992449368 [0,2,0,0,0,0|2,0,0]=4 445 B7R0.11 COCC(C)(O)CN Z992449016 [0,2,0,0,0,0|2,0,0]=4 446 B7R0.11 CSCC(C)(O)CN Z1235968368 [0,2,0,0,0,0|2,0,0]=4 447 B7R0.12 CCC(CC)CCO Z1198174469 [0,2,0,0,0,0|0,0,2]=4 448 B7R0.12 CCCC(CO)OC Z2050356185 [0,2,0,0,0,0|1,0,1]=4 449 B7R0.12 COCC(CN)OC Z1820007612 [0,2,0,0,0,0|2,0,0]=4 450 B7R0.12 O=CNC(CO)CO Z1259117052 [0,2,0,0,0,0|1,0,0]=3 451 B7R0.9 CC(=O)CC(C)(C)C Z1171198845 [0,2,0,0,0,0|0,0,0]=2 452 B7R0.9 CC(C)(Br)CC(=O)O Z1262512457 [0,2,0,0,0,0|0,0,0]=2 453 B7R0.9 CC(C)(C)CC(=O)N Z278515142 [0,2,0,0,0,0|0,0,0]=2 454 B7R0.9 CC(C)(C)CC(=O)O Z104478420 [0,2,0,0,0,0|0,0,0]=2 455 B7R0.9 CC(C)(C)NC(=S)N Z56948375 [0,2,0,0,0,0|1,1,0]=4 456 B7R0.9 CC(C)(C)SC(=N)N Z3243719680 [0,2,0,0,0,0|2,0,0]=4 457 B7R0.9 CC(C)(N)CC(=O)N Z1459435491 [0,2,0,0,0,0|0,0,0]=2 458 B7R0.9 CC(C)(N)CC(=O)O Z1255523279 [0,2,0,0,0,0|0,0,0]=2 459 B7R0.9 CC(C)(O)CC(=N)N Z3804955217 [0,2,0,0,0,0|1,0,0]=3 460 B7R0.9 CC(C)(O)CC(=O)O Z982131798 [0,2,0,0,0,0|0,0,0]=2 461 B7R0.9 CC(C)CS(=O)(=O)N Z734461478 [0,2,0,0,0,0|1,0,0]=3 462 B7R0.9 CC(C)NS(=O)(=O)C Z53825073 [0,2,0,0,0,0|2,0,0]=4 463 B7R0.9 CC(F)(F)CC(=O)O Z1205496030 [0,2,0,0,0,0|1,0,0]=3 464 B7R0.9 CC(N)CC(C)(C)C Z1171199384 [0,2,0,0,0,0|1,0,1]=4 465 B7R0.9 CC(N)CC(C)(C)O Z2235409221 [0,2,0,0,0,0|1,0,1]=4 466 B7R0.9 CC(N)CS(=O)(=O)C Z1267881687 [0,2,0,0,0,0|2,0,0]=4 467 B7R0.9 CC(O)CC(C)(C)O Z1255485267 [0,2,0,0,0,0|0,0,2]=4 468 B7R0.9 CC(O)CS(=O)(=O)C Z991513264 [0,2,0,0,0,0|2,0,0]=4 469 B7R0.9 CC(O)CS(=O)(=O)[O-] Z3300698020 [0,2,0,0,0,0|2,0,0]=4 470 B7R0.9 CN(C)CC(C)(C)N Z2284400097 [0,2,0,0,0,0|2,0,0]=4 471 B7R0.9 CN(C)CC(C)(C)O Z2235790912 [0,2,0,0,0,0|2,0,0]=4 472 B7R0.9 CP(=O)([O-])CC(=O)[O-] Z2939810747 [0,2,0,0,0,0|2,0,0]=4 473 B7R0.9 CS(=O)(=O)CC(=O)O Z295402410 [0,2,0,0,0,0|2,0,0]=4 474 B7R0.9 C[N+](C)(C)CC(=O)[O-] Z2289798098 [0,2,0,0,0,0|1,0,0]=3 475 B7R0.9 C[N+](C)(N)CC(=O)[O-] Z56832246 [0,2,0,0,0,0|1,0,0]=3 476 B7R0.16 C=C(C)C(=O)C(C)C Z1313486232 [0,2,0,0,0,0|1,0,1]=4 477 B7R0.16 CC(=C(F)C(=O)O)C Z1205494362 [0,2,0,0,0,0|0,0,2]=4 478 B7R0.16 CC(=O)C(C)C(=O)C Z56943775 [0,2,0,0,0,0|1,0,1]=4 479 B7R0.16 CC(=O)C(N)C(=O)C Z360059858 [0,2,0,0,0,0|1,0,1]=4 480 B7R0.16 CC(C(=O)N)N(C)C Z4968292210 [0,2,0,0,0,0|1,0,0]=3 481 B7R0.16 CC(C)C(Br)C(=O)O Z203888738 [0,2,0,0,0,0|0,0,0]=2 482 B7R0.16 CC(C)C(C)C(=O)O Z756391682 [0,2,0,0,0,0|0,0,0]=2 483 B7R0.16 CC(C)C(Cl)C(=O)O Z336080700 [0,2,0,0,0,0|0,0,0]=2 484 B7R0.16 CC(C)C(N)C(=O)N Z1266823200 [0,2,0,0,0,0|0,0,0]=2 485 B7R0.16 CC(C)C(N)C(=O)O Z57127382 [0,2,0,0,0,0|0,0,0]=2 486 B7R0.16 CC(C)C(O)C(C)N Z975823338 [0,2,0,0,0,0|1,0,1]=4 487 B7R0.16 CC(C)C(S)C(=O)O Z808230896 [0,2,0,0,0,0|0,0,0]=2 488 B7R0.16 CC(C)N(C)C(=N)N Z2432659176 [0,2,0,0,0,0|2,0,0]=4 489 B7R0.16 CC(C)[C@@H](N)C(=O)N Z1198153018 [0,2,0,0,0,0|0,0,0]=2 490 B7R0.16 CC(C)[C@@H](N)C(=O)O Z813018028 [0,2,0,0,0,0|0,0,0]=2 491 B7R0.16 CC(C)[C@H](N)C(=O)O Z756430564 [0,2,0,0,0,0|0,0,0]=2 492 B7R0.16 CC(N)C(C)C(=O)O Z1198162847 [0,2,0,0,0,0|1,0,0]=3 493 B7R0.16 CC(O)C(C)C(=O)O Z982137146 [0,2,0,0,0,0|1,0,0]=3 494 B7R0.16 C[C@@H](C(=O)O)N(C)C Z1350606494 [0,2,0,0,0,0|1,0,0]=3 495 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O Z1201618669 [0,2,0,0,0,0|1,0,0]=3 496 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Z813019058 [0,2,0,0,0,0|1,0,0]=3 497 B7R0.16 C[C@H](C(=O)O)N(C)C Z1205493968 [0,2,0,0,0,0|1,0,0]=3 498 B7R0.16 C[C@H](O)[C@H](N)C(=O)O Z1162448524 [0,2,0,0,0,0|1,0,0]=3 499 B7R0.13 CC(C)C(C)(C)CN Z1770193479 [0,2,0,0,0,0|1,0,1]=4 500 B7R0.13 CC(C)C(C)(N)C#N Z56943431 [0,2,0,0,0,0|1,0,1]=4 501 B7R0.13 CC(C)C(C)(N)CO Z2160887261 [0,2,0,0,0,0|0,0,2]=4 502 B7R0.13 CC(C)C(C)(O)CN Z419085036 [0,2,0,0,0,0|1,0,1]=4 503 B7R0.13 CC(C)C(F)(F)CN Z2310716426 [0,2,0,0,0,0|1,0,1]=4 504 B7R0.13 CCC(C)(C)C(C)C Z1198148974 [0,2,0,0,0,0|1,0,1]=4 505 B7R0.14 C#CC(N)C(C)(C)C Z2082999410 [0,2,0,0,0,0|1,0,1]=4 506 B7R0.14 C=CC(=O)C(C)(C)C Z940201244 [0,2,0,0,0,0|1,0,1]=4 507 B7R0.14 C=CC(O)C(C)(C)C Z1262397707 [0,2,0,0,0,0|1,0,0]=3 508 B7R0.14 CC(C#N)C(C)(C)C Z415654756 [0,2,0,0,0,0|1,0,1]=4 509 B7R0.14 CC(C)(C)C(N)C#N Z803055956 [0,2,0,0,0,0|1,0,1]=4 510 B7R0.14 CC(C)(C)C(N)CN Z1992316411 [0,2,0,0,0,0|1,0,1]=4 511 B7R0.14 CC(C)(C)C(N)CO Z2004547930 [0,2,0,0,0,0|0,0,2]=4 512 B7R0.14 CC(C)(C)C(O)CN Z803056426 [0,2,0,0,0,0|1,0,1]=4 513 B7R0.14 CCC(N)C(C)(C)O Z2216302967 [0,2,0,0,0,0|1,0,1]=4 514 B7R0.14 CN(N=O)C(C)(C)C Z1725963468 [0,2,0,0,0,0|2,0,0]=4 515 B7R0.14 CNC(C)C(C)(C)C Z335451384 [0,2,0,0,0,0|2,0,0]=4 516 B7R0.15 C#CC(CN)C(C)C Z5582800511 [0,2,0,0,0,0|1,0,1]=4 517 B7R0.15 CCC(CN)C(C)C Z608350088 [0,2,0,0,0,0|1,0,1]=4 518 B7R0.15 CCN(N=O)C(C)C Z2375613691 [0,2,0,0,0,0|2,0,0]=4 519 B7R0.15 COC(C#N)C(C)C Z1270206972 [0,2,0,0,0,0|1,0,1]=4 520 B7R0.15 COC(CN)C(C)C Z2310718859 [0,2,0,0,0,0|1,0,1]=4 521 B7R0.15 COC(CO)C(C)C Z1898597061 [0,2,0,0,0,0|0,0,2]=4 522 B7R0.4 CC(C)C/C=C/CO Z1813145997 [0,2,0,0,0,0|0,0,1]=3 523 B7R0.4 CC(C)CCCCN Z1250132304 [0,2,0,0,0,0|1,0,1]=4 524 B7R0.4 CC(C)CNCCO Z3269089575 [0,2,0,0,0,0|0,0,2]=4 525 B7R0.4 CC(C)COCCN Z594038266 [0,2,0,0,0,0|1,0,1]=4 526 B7R0.4 CC(C)CSCCN Z1520645037 [0,2,0,0,0,0|1,0,1]=4 527 B7R0.4 CC(C)NCCCO Z56799938 [0,2,0,0,0,0|0,0,2]=4 528 B7R0.4 CC(C)OCCC#N Z317037874 [0,2,0,0,0,0|1,0,1]=4 529 B7R0.4 CC(C)OCCCN Z2677507870 [0,2,0,0,0,0|1,0,1]=4 530 B7R0.4 CC(C)OCCCO Z1080358780 [0,2,0,0,0,0|0,0,2]=4 531 B7R0.4 CCCNCC(C)C Z90518190 [0,2,0,0,0,0|1,0,1]=4 532 B7R0.6 CC(=O)CCC(=O)O Z104477318 [0,2,0,0,0,0|1,0,1]=4 533 B7R0.6 CC(=O)NCC(=O)O Z85886676 [0,2,0,0,0,0|1,0,1]=4 534 B7R0.6 CC(=O)NCC(C)O Z353603952 [0,2,0,0,0,0|1,0,0]=3 535 B7R0.6 CC(C)C#CC(=O)O Z1205493820 [0,2,0,0,0,0|0,0,1]=3 536 B7R0.6 CC(C)CCC(=N)N Z2522503133 [0,2,0,0,0,0|1,0,0]=3 537 B7R0.6 CC(C)CCC(=O)O Z56347204 [0,2,0,0,0,0|0,0,0]=2 538 B7R0.6 CC(C)CNC(=O)N Z56895708 [0,2,0,0,0,0|0,0,0]=2 539 B7R0.6 CC(C)CNC(C)C Z361996484 [0,2,0,0,0,0|1,0,1]=4 540 B7R0.6 CC(C)NCC(=O)N Z56969693 [0,2,0,0,0,0|0,0,0]=2 541 B7R0.6 CC(C)NCC(=O)O Z359419672 [0,2,0,0,0,0|0,0,0]=2 542 B7R0.6 CC(C)NCC(F)F Z1442017493 [0,2,0,0,0,0|1,0,1]=4 543 B7R0.6 CC(C)OCC(=N)N Z1511495251 [0,2,0,0,0,0|1,0,0]=3 544 B7R0.6 CC(C)OCC(=O)O Z316259244 [0,2,0,0,0,0|0,0,0]=2 545 B7R0.6 CC(C)SCC(=O)O Z214812600 [0,2,0,0,0,0|0,0,0]=2 546 B7R0.6 CC(N)CCC(=O)O Z1235963367 [0,2,0,0,0,0|1,0,0]=3 547 B7R0.6 CC(N)CCS(=O)C Z1269750451 [0,2,0,0,0,0|1,0,1]=4 548 B7R0.6 CC(O)CCC(=O)O Z838959470 [0,2,0,0,0,0|1,0,0]=3 549 B7R0.6 CC(O)CNC(C)C Z138692704 [0,2,0,0,0,0|0,0,2]=4 550 B7R0.6 CN(C)CCC(=N)N Z2582511037 [0,2,0,0,0,0|2,0,0]=4 551 B7R0.6 CN(C)CCC(=O)N Z168912842 [0,2,0,0,0,0|1,0,0]=3 552 B7R0.6 CN(C)CCC(=O)O Z168912830 [0,2,0,0,0,0|1,0,0]=3 553 B7R0.6 CN(C)CCC(=S)N Z370706836 [0,2,0,0,0,0|1,1,0]=4 554 B7R0.6 CS(=O)CCC(=O)O Z667974346 [0,2,0,0,0,0|2,0,0]=4 555 B7R0.8 C=CCNC(C)(C)C Z2583036183 [0,2,0,0,0,0|1,0,0]=3 556 B7R0.8 CC(C)(C)CCC#N Z819990894 [0,2,0,0,0,0|1,0,1]=4 557 B7R0.8 CC(C)(C)CCCN Z819989370 [0,2,0,0,0,0|1,0,1]=4 558 B7R0.8 CC(C)(C)CCCO Z1183459256 [0,2,0,0,0,0|0,0,2]=4 559 B7R0.8 CC(C)(C)NCCN Z756919712 [0,2,0,0,0,0|1,0,1]=4 560 B7R0.8 CC(C)(C)OCCN Z362798546 [0,2,0,0,0,0|1,0,1]=4 561 B7R0.8 CC(C)(C)SCCO Z71305457 [0,2,0,0,0,0|0,0,2]=4 562 B7R0.8 CC(C)(N)CCCN Z1184860919 [0,2,0,0,0,0|1,0,1]=4 563 B7R0.8 CC(C)(O)CCCO Z1255438724 [0,2,0,0,0,0|0,0,2]=4 564 B7R0.8 CCCCC(C)(C)N Z4437707785 [0,2,0,0,0,0|1,0,1]=4 565 B7R0.8 CCCNC(C)(C)C Z744754558 [0,2,0,0,0,0|1,0,1]=4 566 B7R0.8 CCNCC(C)(C)O Z600453556 [0,2,0,0,0,0|1,0,1]=4 567 B7R0.8 CNCCC(C)(C)C Z2380417739 [0,2,0,0,0,0|1,0,1]=4 568 B7R0.8 CNCCC(C)(C)N Z2313105672 [0,2,0,0,0,0|1,0,1]=4 569 B7R0.8 COCCC(C)(C)N Z879061970 [0,2,0,0,0,0|0,0,2]=4 570 B5R1.2 NC1CCC1 Z1266823158 [1,0,0,1,0,0|1,0,1]=4 571 B5R1.2 NC1COC1 Z317054188 [1,0,0,1,0,0|1,0,1]=4 572 B5R1.2 OC1CNC1 Z1012638850 [1,0,0,1,0,0|2,0,0]=4 573 B5R1.2 OC1COC1 Z1123686553 [1,0,0,1,0,0|1,0,1]=4 574 B5R1.3 CNC1CC1 Z138412880 [1,0,0,1,0,0|1,0,1]=4 575 B5R1.3 ClCC1CO1 Z104473190 [1,0,0,1,0,0|2,0,0]=4 576 B5R1.3 N#CC1CC1 Z247612572 [1,0,0,1,0,0|1,0,1]=4 577 B5R1.3 OCC1CC1 Z104479000 [1,0,0,1,0,0|0,0,1]=3 578 B5R1.3 OCC1CO1 Z104476180 [1,0,0,1,0,0|1,0,1]=4 579 B5R1.3 OC[C@@H]1CO1 Z1222330631 [1,0,0,1,0,0|1,0,1]=4 580 B5R1.3 OC[C@H]1CO1 Z1222330633 [1,0,0,1,0,0|1,0,1]=4 581 B5R1.4 CC1CC1N Z406520774 [1,0,0,1,0,0|1,0,0]=3 582 B5R1.4 C[C@@H]1C[C@H]1N Z993905302 [1,0,0,1,0,0|1,0,0]=3 583 B5R1.1 C1=CCNC1 Z2306624771 [1,0,0,1,0,0|2,0,0]=4 584 B7R1.1 CCC1CCNC1 Z1407004100 [0,1,0,1,0,0|1,0,1]=4 585 B7R1.1 CNC1CCCC1 Z102766802 [0,1,0,1,0,0|1,0,1]=4 586 B7R1.1 CNC1CCOC1 Z1079260566 [0,1,0,1,0,0|0,0,2]=4 587 B7R1.1 CNC1CCSC1 Z102767000 [0,1,0,1,0,0|0,1,1]=4 588 B7R1.1 CO[C@@H]1CCNC1 Z1335657682 [0,1,0,1,0,0|1,0,1]=4 589 B7R1.1 CO[C@H]1CCNC1 Z1335657810 [0,1,0,1,0,0|1,0,1]=4 590 B7R1.1 NCC1C=CCC1 Z2768196818 [0,1,0,1,0,0|1,0,1]=4 591 B7R1.1 NCC1CC=CC1 Z2310699469 [0,1,0,1,0,0|1,0,0]=3 592 B7R1.1 NCC1CCCC1 Z367452206 [0,1,0,1,0,0|1,0,1]=4 593 B7R1.1 O=CC1CC=CC1 Z1504676872 [0,1,0,1,0,0|1,0,1]=4 594 B7R1.1 OCC1CC=CC1 Z1201622687 [0,1,0,1,0,0|1,0,0]=3 595 B7R1.1 OCC1CCCC1 Z397587414 [0,1,0,1,0,0|1,0,1]=4 596 B7R1.1 OCC1CCNC1 Z976722188 [0,1,0,1,0,0|1,0,1]=4 597 B7R1.1 OCC1CCOC1 Z335245192 [0,1,0,1,0,0|0,0,2]=4 598 B7R1.1 OCC1CCSC1 Z1201679855 [0,1,0,1,0,0|0,1,1]=4 599 B7R1.2 CC1=NNC(=O)C1 Z50145989 [0,1,0,1,0,0|1,0,1]=4 600 B7R1.2 CC1CC(=O)CN1 Z1509349081 [0,1,0,1,0,0|0,0,0]=2 601 B7R1.2 CC1CC(=O)NN1 Z217165562 [0,1,0,1,0,0|1,0,0]=3 602 B7R1.2 CC1CC(CN1)O Z1201051000 [0,1,0,1,0,0|0,0,2]=4 603 B7R1.2 CC1CC(CO1)N Z2418414350 [0,1,0,1,0,0|1,0,1]=4 604 B7R1.2 CC1CC(CS1)N Z1203639702 [0,1,0,1,0,0|1,0,1]=4 605 B7R1.2 CC1CCC(=O)N1 Z1250132456 [0,1,0,1,0,0|1,0,0]=3 606 B7R1.2 CC1CCC(=O)O1 Z963595138 [0,1,0,1,0,0|1,0,0]=3 607 B7R1.2 CC1CCC(C1)O Z1233224917 [0,1,0,1,0,0|0,0,2]=4 608 B7R1.2 CC1CN=C(N1)N Z1642389934 [0,1,0,1,0,0|2,0,0]=4 609 B7R1.2 CC1CN=C(O1)N Z1203579428 [0,1,0,1,0,0|2,0,0]=4 610 B7R1.2 CC1CNC(=N)C1 Z4085233400 [0,1,0,1,0,0|1,0,0]=3 611 B7R1.2 CC1CNC(=O)C1 Z959319678 [0,1,0,1,0,0|0,0,0]=2 612 B7R1.2 CC1CNC(=O)N1 Z1203730895 [0,1,0,1,0,0|1,0,0]=3 613 B7R1.2 CC1CNC(=O)O1 Z1198149952 [0,1,0,1,0,0|1,0,0]=3 614 B7R1.2 CC1CNC(C1)C Z1250222491 [0,1,0,1,0,0|1,0,1]=4 615 B7R1.2 CN1CCC(=O)C1 Z415646350 [0,1,0,1,0,0|1,0,0]=3 616 B7R1.2 CN1CCC(=O)N1 Z1618125551 [0,1,0,1,0,0|2,0,0]=4 617 B7R1.2 NC1CCS(=O)C1 Z1267860904 [0,1,0,1,0,0|1,0,1]=4 618 B7R1.2 NC1CNC(=O)C1 Z1198329759 [0,1,0,1,0,0|1,0,0]=3 619 B7R1.2 O=C1CC(CN1)O Z1198157723 [0,1,0,1,0,0|1,0,0]=3 620 B7R1.3 CC1CNCCN1 Z104480242 [0,1,0,1,0,0|1,0,1]=4 621 B7R1.3 CC1CNCCO1 Z204013884 [0,1,0,1,0,0|1,0,1]=4 622 B7R1.3 CC1CNCCS1 Z334686272 [0,1,0,1,0,0|1,0,1]=4 623 B7R1.3 CC1COCCN1 Z336087928 [0,1,0,1,0,0|0,0,2]=4 624 B7R1.3 CC1CSCCN1 Z334686282 [0,1,0,1,0,0|0,1,1]=4 625 B7R1.3 C[C@H]1CCCNC1 Z1895741201 [0,1,0,1,0,0|1,0,1]=4 626 B7R1.3 C[C@H]1CNCCN1 Z1187834254 [0,1,0,1,0,0|1,0,1]=4 627 B7R1.4 CC1CCCC1N Z1219738990 [0,1,0,1,0,0|1,0,1]=4 628 B7R1.4 CC1CCNC1C Z1335657674 [0,1,0,1,0,0|1,0,1]=4 629 B7R1.4 CC1CNCC1C Z1281657986 [0,1,0,1,0,0|1,0,1]=4 630 B7R1.4 C[C@@H]1CCC[C@@H]1N Z2309845262 [0,1,0,1,0,0|1,0,1]=4 631 B7R1.4 C[C@@H]1CCC[C@H]1N Z2568757690 [0,1,0,1,0,0|1,0,1]=4 632 B7R1.4 C[C@@H]1CNC[C@@H]1O Z2309845194 [0,1,0,1,0,0|1,0,1]=4 633 B7R1.5 CC1CC1CCN Z4888675966 [0,1,0,1,0,0|1,0,1]=4 634 B7R1.5 CCC[C@@H]1C[C@H]1N Z2298098035 [0,1,0,1,0,0|1,0,1]=4 635 B7R1.5 CNCC1CC1C Z3752925195 [0,1,0,1,0,0|1,0,1]=4 636 B7R1.6 CCCC1CNC1 Z2310679174 [0,1,0,1,0,0|1,0,1]=4 637 B7R1.6 CNCC1CCC1 Z1692482598 [0,1,0,1,0,0|2,0,0]=4 638 B7R1.6 COCC1CCN1 Z2213893372 [0,1,0,1,0,0|2,0,0]=4 639 B7R1.6 N#CCC1CCC1 Z1198184443 [0,1,0,1,0,0|1,0,1]=4 640 B7R1.6 N#CCC1CNC1 Z2512942957 [0,1,0,1,0,0|1,0,1]=4 641 B7R1.6 NCCC1CCC1 Z1405445718 [0,1,0,1,0,0|1,0,1]=4 642 B7R1.6 O=CCC1CCC1 Z1198184444 [0,1,0,1,0,0|0,0,0]=2 643 B7R1.6 O=CCC1COC1 Z1511884358 [0,1,0,1,0,0|0,0,0]=2 644 B7R1.9 CCC1CC1C=O Z1513989944 [0,1,0,1,0,0|0,0,0]=2 645 B7R1.9 CC[C@@H]1C[C@H]1C=O Z3300760890 [0,1,0,1,0,0|0,0,0]=2 646 B7R1.9 CC[C@@H]1C[C@H]1CN Z2235810238 [0,1,0,1,0,0|1,0,1]=4 647 B7R1.9 N#CC1CC1C=O Z1511894712 [0,1,0,1,0,0|0,0,1]=3 648 B7R1.10 C=C1CC(C1)C=O Z1486007751 [0,1,0,1,0,0|0,0,2]=4 649 B7R1.10 C=C1CC(C1)CN Z3018667936 [0,1,0,1,0,0|1,0,0]=3 650 B7R1.10 C=C1CC(C1)NC Z3417039111 [0,1,0,1,0,0|1,0,0]=3 651 B7R1.10 C=CC1CC(=O)N1 Z1203730883 [0,1,0,1,0,0|1,0,1]=4 652 B7R1.10 C=CC1CC(C1)N Z4052438501 [0,1,0,1,0,0|2,0,0]=4 653 B7R1.10 CCC1CC(C1)N Z4130021870 [0,1,0,1,0,0|1,0,1]=4 654 B7R1.10 CNC1CC(C1)O Z1318186466 [0,1,0,1,0,0|0,0,2]=4 655 B7R1.10 CSC1CC(C1)N Z2724378300 [0,1,0,1,0,0|1,0,1]=4 656 B7R1.10 CS[C@H]1C[C@H](C1)N Z5055881160 [0,1,0,1,0,0|1,0,1]=4 657 B7R1.10 NC[C@H]1C[C@@H](C1)O Z2755724217 [0,1,0,1,0,0|0,0,2]=4 658 B7R1.10 N[C@H]1C[C@H](C1)CO Z1203585248 [0,1,0,1,0,0|1,0,1]=4 659 B7R1.11 CC1C(C1C=O)Cl Z1262487267 [0,1,0,1,0,0|0,0,0]=2 660 B7R1.11 C[C@H]1C([C@@H]1C)C=O Z3081818776 [0,1,0,1,0,0|0,0,0]=2 661 B7R1.11 C[C@H]1C([C@@H]1C)CN Z4165830246 [0,1,0,1,0,0|1,0,1]=4 662 B7R1.21 CC1(CC1)CC=O Z3247248393 [0,1,0,1,0,0|0,0,0]=2 663 B7R1.21 CC1(CC1)CCO Z1813155991 [0,1,0,1,0,0|0,0,2]=4 664 B7R1.21 CC1(CO1)CCO Z1486026620 [0,1,0,1,0,0|0,0,2]=4 665 B7R1.21 CCCC1(CC1)N Z3072982019 [0,1,0,1,0,0|1,0,1]=4 666 B7R1.21 CCCC1(CO1)C Z1020679916 [0,1,0,1,0,0|1,0,1]=4 667 B7R1.21 CNCC1(CC1)F Z3243520361 [0,1,0,1,0,0|2,0,0]=4 668 B7R1.21 CNCC1(CC1)N Z5185499776 [0,1,0,1,0,0|2,0,0]=4 669 B7R1.21 COCC1(CC1)N Z2301519229 [0,1,0,1,0,0|2,0,0]=4 670 B7R1.21 COCC1(CO1)C Z1020679792 [0,1,0,1,0,0|2,0,0]=4 671 B7R1.21 NC1(CC1)CCO Z2211231673 [0,1,0,1,0,0|0,0,2]=4 672 B7R1.22 C#CC(N)C1CC1 Z3335415540 [0,1,0,1,0,0|1,0,1]=4 673 B7R1.22 C=CC(N)C1CC1 Z3444558430 [0,1,0,1,0,0|1,0,0]=3 674 B7R1.22 CC(C#N)C1CC1 Z415654714 [0,1,0,1,0,0|1,0,1]=4 675 B7R1.22 CC(C=O)C1CC1 Z1263529480 [0,1,0,1,0,0|0,0,0]=2 676 B7R1.22 CC(CN)C1CC1 Z1259341042 [0,1,0,1,0,0|1,0,1]=4 677 B7R1.22 CN(N=O)C1CC1 Z1934631325 [0,1,0,1,0,0|2,0,0]=4 678 B7R1.22 CNC(C)C1CC1 Z270730248 [0,1,0,1,0,0|1,0,1]=4 679 B7R1.22 N#CC(N)C1CC1 Z1266854880 [0,1,0,1,0,0|1,0,1]=4 680 B7R1.22 NC(CO)C1CC1 Z1362754532 [0,1,0,1,0,0|0,0,2]=4 681 B7R1.22 NCC(N)C1CC1 Z445154916 [0,1,0,1,0,0|1,0,1]=4 682 B7R1.22 NCC(O)C1CC1 Z802856322 [0,1,0,1,0,0|1,0,1]=4 683 B7R1.25 CC1(CCC1)CN Z1357823912 [0,1,0,1,0,0|1,0,1]=4 684 B7R1.25 CNC1(CCC1)C Z1255443634 [0,1,0,1,0,0|1,0,1]=4 685 B7R1.25 COC1(CNC1)C Z1198311233 [0,1,0,1,0,0|2,0,0]=4 686 B7R1.27 CC1CC1(C)C=O Z1513984691 [0,1,0,1,0,0|0,0,0]=2 687 B7R1.12 CC(=O)C1CC1C Z1259336498 [0,1,0,1,0,0|0,0,0]=2 688 B7R1.12 CC(C)[C@@H]1C[C@H]1N Z2285053182 [0,1,0,1,0,0|1,0,1]=4 689 B7R1.12 CC1CC1C(=O)N Z33546780 [0,1,0,1,0,0|0,0,0]=2 690 B7R1.12 C[C@@H]1C[C@H]1C(=O)O Z1205493848 [0,1,0,1,0,0|0,0,0]=2 691 B7R1.12 C[C@H]1C[C@@H]1C(=O)O Z1205494110 [0,1,0,1,0,0|0,0,0]=2 692 B7R1.16 C=C1CC(C1)(C)N Z5611324020 [0,1,0,1,0,0|1,0,0]=3 693 B7R1.16 CC1(CC(=O)C1)C Z1386602397 [0,1,0,1,0,0|0,0,0]=2 694 B7R1.16 CC1(CC(=O)N1)C Z1238800208 [0,1,0,1,0,0|0,0,0]=2 695 B7R1.16 CC1(CC(C1)O)N Z1618150088 [0,1,0,1,0,0|0,0,2]=4 696 B7R1.16 CC1CC(C1)(C)N Z3034505681 [0,1,0,1,0,0|1,0,1]=4 697 B7R1.16 CC1CC(N1)(C)C Z803145478 [0,1,0,1,0,0|1,0,1]=4 698 B7R1.16 CN1CC(C1)(C)N Z1945700468 [0,1,0,1,0,0|2,0,0]=4 699 B7R1.16 C[C@@]1(C[C@@H](C1)N)F Z2740389572 [0,1,0,1,0,0|1,0,1]=4 700 B7R1.16 NC1CS(=O)(=O)C1 Z1614337716 [0,1,0,1,0,0|2,0,0]=4 701 B7R1.20 CC(=O)CC1CC1 Z1198160502 [0,1,0,1,0,0|0,0,0]=2 702 B7R1.20 CC(C)CC1CO1 Z1020679872 [0,1,0,1,0,0|0,0,2]=4 703 B7R1.20 NC(=NC1CC1)N Z1815149162 [0,1,0,1,0,0|2,0,0]=4 704 B7R1.20 NC(=O)CC1CC1 Z365255854 [0,1,0,1,0,0|0,0,0]=2 705 B7R1.20 NC(=O)NC1CC1 Z57000532 [0,1,0,1,0,0|1,0,0]=3 706 B7R1.20 NC(=S)NC1CC1 Z85934238 [0,1,0,1,0,0|1,1,0]=4 707 B7R1.20 O=C(O)CC1CC1 Z234893653 [0,1,0,1,0,0|0,0,0]=2 708 B7R1.32 CC1(CC1(C)N)C Z2528325599 [0,1,0,1,0,0|1,0,1]=4 709 B7R1.17 CC1(CCC1=O)C Z1416192672 [0,1,0,1,0,0|0,0,0]=2 710 B7R1.17 CC1(CCC1N)C Z1813195196 [0,1,0,1,0,0|1,0,1]=4 711 B7R1.17 CC1(CNC1=O)C Z425427928 [0,1,0,1,0,0|0,0,0]=2 712 B7R1.19 CC(C)C1(CC1)N Z2216303073 [0,1,0,1,0,0|1,0,1]=4 713 B7R1.19 CC(C)C1(CO1)C Z1020679970 [0,1,0,1,0,0|0,0,2]=4 714 B7R1.23 CC1(CC1C#N)C Z756145422 [0,1,0,1,0,0|1,0,1]=4 715 B7R1.23 CC1(CC1C=O)Br Z1513978436 [0,1,0,1,0,0|0,0,0]=2 716 B7R1.23 CC1(CC1C=O)C Z1511745659 [0,1,0,1,0,0|0,0,0]=2 717 B7R1.23 CC1(CC1CN)C Z1267773739 [0,1,0,1,0,0|1,0,1]=4 718 B7R1.23 CC1(CC1CO)C Z1198310193 [0,1,0,1,0,0|0,0,2]=4 719 B7R1.23 CC1(C[C@@H]1C=O)C Z1511802856 [0,1,0,1,0,0|0,0,0]=2 720 B7R1.23 CC1(OC1C#N)C Z1198150592 [0,1,0,1,0,0|1,0,1]=4 721 B7R1.23 CC1(OC1C=O)C Z1511743636 [0,1,0,1,0,0|0,0,0]=2 722 B7R1.23 CC1(OC1CCl)C Z1205657657 [0,1,0,1,0,0|1,0,1]=4 723 B7R1.23 CC1(OC1CO)C Z1486035926 [0,1,0,1,0,0|0,0,2]=4 724 B7R1.23 CC1(O[C@@H]1CO)C Z1896550092 [0,1,0,1,0,0|0,0,2]=4 725 B7R1.23 CC1(O[C@H]1CO)C Z1896541488 [0,1,0,1,0,0|0,0,2]=4 726 B7R1.23 CNC1CC1(C)C Z1895742049 [0,1,0,1,0,0|1,0,1]=4 727 B7R1.23 O=CC1CC1(Cl)Cl Z1511747117 [0,1,0,1,0,0|1,0,0]=3 728 B7R1.7 C#CCNC1CC1 Z138414626 [0,1,0,1,0,0|1,0,1]=4 729 B7R1.7 C=CCCC1CO1 Z1255485443 [0,1,0,1,0,0|2,0,0]=4 730 B7R1.7 C=CCNC1CC1 Z2142036642 [0,1,0,1,0,0|1,0,0]=3 731 B7R1.7 CCNCC1CC1 Z1692483163 [0,1,0,1,0,0|1,0,1]=4 732 B7R1.7 CNCCC1CC1 Z1480642691 [0,1,0,1,0,0|1,0,1]=4 733 B7R1.7 FCCNC1CC1 Z5629279666 [0,1,0,1,0,0|1,0,1]=4 734 B7R1.7 N#CCNC1CC1 Z235643824 [0,1,0,1,0,0|1,0,1]=4 735 B7R1.7 NCCCC1CC1 Z2465611603 [0,1,0,1,0,0|1,0,1]=4 736 B7R1.7 NCCNC1CC1 Z756920128 [0,1,0,1,0,0|1,0,1]=4 737 B7R1.7 NCCOC1CC1 Z2786559006 [0,1,0,1,0,0|1,0,1]=4 738 B7R1.7 O=C/C=C/C1CC1 Z1318198760 [0,1,0,1,0,0|0,0,1]=3 739 B7R1.7 O=C=NCC1CC1 Z826525040 [0,1,0,1,0,0|0,0,1]=3 740 B7R1.7 O=CCCC1CC1 Z1233208002 [0,1,0,1,0,0|0,0,0]=2 741 B7R1.7 OCCNC1CC1 Z285050134 [0,1,0,1,0,0|0,0,2]=4 742 B7R1.14 CC1(C=CCN1)C Z3477416732 [0,1,0,1,0,0|1,0,0]=3 743 B7R1.14 CC1(CC=CC1)N Z2470136742 [0,1,0,1,0,0|1,0,0]=3 744 B7R1.14 CC1(CCCC1)O Z449370856 [0,1,0,1,0,0|1,0,1]=4 745 B7R1.14 CC1(CCCN1)C Z1259335892 [0,1,0,1,0,0|1,0,1]=4 746 B7R1.14 CC1(CCNC1)C Z1270207926 [0,1,0,1,0,0|1,0,1]=4 747 B7R1.14 CC1(CCNC1)O Z1139194384 [0,1,0,1,0,0|1,0,1]=4 748 B7R1.14 CC1(CCOC1)N Z1895741238 [0,1,0,1,0,0|0,0,2]=4 749 B7R1.14 CC1(CCSC1)N Z4990294346 [0,1,0,1,0,0|0,1,1]=4 750 B7R1.14 CC1(CCSC1)O Z1359841674 [0,1,0,1,0,0|0,1,1]=4 751 B7R1.14 CC1(CNOC1)O Z3035808330 [0,1,0,1,0,0|1,0,1]=4 752 B7R1.26 CC(C)(C)C1CO1 Z278165182 [0,1,0,1,0,0|0,0,2]=4 753 B7R1.26 CC(C)(C)[C@@H]1CO1 Z1575341657 [0,1,0,1,0,0|0,0,2]=4 754 B7R1.26 CC(C)(O)C1CC1 Z449374598 [0,1,0,1,0,0|1,0,1]=4 755 B7R1.26 CC(C)(O)C1CO1 Z1504677029 [0,1,0,1,0,0|0,0,2]=4 756 B7R2.11 C1NC2CC1C2 Z3074473459 [0,0,0,2,0,0|1,0,1]=4 757 B7R2.13 C1=CC2OC2C1 Z1238546190 [0,0,0,2,0,0|2,0,0]=4 758 B7R2.13 C1CC2CC2N1 Z1964347529 [0,0,0,2,0,0|1,0,1]=4 759 B7R2.13 C1NCC2C1C2 Z1270630267 [0,0,0,2,0,0|1,0,1]=4 760 B7R2.1 C1CC1C2CO2 Z1020679808 [0,0,0,2,0,0|0,0,2]=4 761 B7R2.3 NC1CC12CC2 Z2379087701 [0,0,0,2,0,0|1,0,1]=4