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|1,0,2]=3 3 B5R0.1 C=CCC(C)N Z1269638561 [0,0,0,0,0,0|2,0,1]=3 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|1,0,2]=3 6 B5R0.1 CC(=O)CCO Z906206900 [0,0,0,0,0,0|1,0,1]=2 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|0,0,0]=0 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|1,0,2]=3 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|1,0,0]=1 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|2,0,0]=2 15 B5R0.1 CC(O)CCO Z104473530 [0,0,0,0,0,0|1,0,0]=1 16 B5R0.1 CCCC(=N)N Z1198394172 [0,0,0,0,0,0|3,0,1]=4 17 B5R0.1 CCCC(=O)N Z33546461 [0,0,0,0,0,0|3,0,1]=4 18 B5R0.1 CCCC(=O)O Z104495380 [0,0,0,0,0,0|3,0,1]=4 19 B5R0.1 CCCC(C)N Z2417819590 [0,0,0,0,0,0|2,0,0]=2 20 B5R0.1 CN(C)CCF Z5487577684 [0,0,0,0,0,0|2,0,0]=2 21 B5R0.1 CN(C)CCO Z104473552 [0,0,0,0,0,0|1,0,0]=1 22 B5R0.1 CN(C)CCS Z362025514 [0,0,0,0,0,0|1,1,0]=2 23 B5R0.1 CNCC(C)C Z951367674 [0,0,0,0,0,0|2,0,0]=2 24 B5R0.1 CNCC(C)N Z1413780485 [0,0,0,0,0,0|3,0,0]=3 25 B5R0.1 CNCC(C)O Z138692700 [0,0,0,0,0,0|3,0,0]=3 26 B5R0.1 CNCC(F)F Z1259341074 [0,0,0,0,0,0|4,0,0]=4 27 B5R0.1 COCC(C)O Z825742124 [0,0,0,0,0,0|3,0,0]=3 28 B5R0.1 COC[C@@H](C)N Z1270482298 [0,0,0,0,0,0|3,0,0]=3 29 B5R0.1 COC[C@H](C)N Z1270502316 [0,0,0,0,0,0|3,0,0]=3 30 B5R0.1 CS(=O)CC#N Z1198176972 [0,0,0,0,0,0|3,0,1]=4 31 B5R0.1 CS(=O)CCN Z802568576 [0,0,0,0,0,0|3,0,0]=3 32 B5R0.1 CSCC(C)O Z732208306 [0,0,0,0,0,0|3,0,0]=3 33 B5R0.1 CSCS(=O)C Z1255438413 [0,0,0,0,0,0|4,0,0]=4 34 B5R0.1 C[C@@H](N)CCO Z1526453858 [0,0,0,0,0,0|1,0,0]=1 35 B5R0.1 C[C@@H](O)CCN Z1860991703 [0,0,0,0,0,0|2,0,0]=2 36 B5R0.1 N=C(N)CCO Z1198394167 [0,0,0,0,0,0|2,0,1]=3 37 B5R0.1 NC(=O)CCO Z431951940 [0,0,0,0,0,0|2,0,1]=3 38 B5R0.1 NCCC(=O)N Z415728050 [0,0,0,0,0,0|3,0,1]=4 39 B5R0.1 NCCC(=O)O Z57127544 [0,0,0,0,0,0|3,0,1]=4 40 B5R0.1 O=C(O)CCCl Z203045320 [0,0,0,0,0,0|3,0,1]=4 41 B5R0.1 O=C(O)CCS Z104474322 [0,0,0,0,0,0|2,1,1]=4 42 B5R0.1 O=C(O)CNO Z1205493750 [0,0,0,0,0,0|3,0,1]=4 43 B4R0.1 C#CC(C)O Z1251193370 [1,0,0,0,0,0|1,0,2]=4 44 B4R0.1 C=C(Br)CO Z600440434 [1,0,0,0,0,0|1,0,2]=4 45 B4R0.1 C=CC(C)N Z1446855743 [1,0,0,0,0,0|1,0,2]=4 46 B4R0.1 CC(=O)CN Z1262398366 [1,0,0,0,0,0|2,0,1]=4 47 B4R0.1 CC(=O)NO Z59181917 [1,0,0,0,0,0|2,0,1]=4 48 B4R0.1 CC(C)NO Z1198161074 [1,0,0,0,0,0|1,0,0]=2 49 B4R0.1 CC(F)CN Z2941405027 [1,0,0,0,0,0|2,0,0]=3 50 B4R0.1 CC(N)CF Z2096088772 [1,0,0,0,0,0|2,0,0]=3 51 B4R0.1 CC(N)CN Z104474490 [1,0,0,0,0,0|2,0,0]=3 52 B4R0.1 CC(O)CN Z104477092 [1,0,0,0,0,0|2,0,0]=3 53 B4R0.1 CC(O)CO Z106938868 [1,0,0,0,0,0|1,0,0]=2 54 B4R0.1 CCC(=N)N Z1741969146 [1,0,0,0,0,0|2,0,1]=4 55 B4R0.1 CCC(=O)N Z33546482 [1,0,0,0,0,0|2,0,1]=4 56 B4R0.1 CCC(=O)O Z104474154 [1,0,0,0,0,0|2,0,1]=4 57 B4R0.1 CCC(=S)N Z241091446 [1,0,0,0,0,0|2,0,1]=4 58 B4R0.1 CCC(C)N Z104472234 [1,0,0,0,0,0|1,0,0]=2 59 B4R0.1 CC[C@@H](C)O Z1203162396 [1,0,0,0,0,0|1,0,0]=2 60 B4R0.1 CN(C)C#N Z1255394988 [1,0,0,0,0,0|2,0,1]=4 61 B4R0.1 CN(C)N=O Z1255485177 [1,0,0,0,0,0|2,0,1]=4 62 B4R0.1 CNC(=N)C Z2146515751 [1,0,0,0,0,0|2,0,1]=4 63 B4R0.1 CNC(=O)C Z32016274 [1,0,0,0,0,0|2,0,1]=4 64 B4R0.1 C[C@@H](N)CN Z3234812272 [1,0,0,0,0,0|2,0,0]=3 65 B4R0.1 C[C@@H](N)CO Z346076140 [1,0,0,0,0,0|1,0,0]=2 66 B4R0.1 C[C@@H](O)CO Z1255486379 [1,0,0,0,0,0|1,0,0]=2 67 B4R0.1 C[C@H](N)CN Z1741977335 [1,0,0,0,0,0|2,0,0]=3 68 B4R0.1 C[C@H](O)CN Z1203577967 [1,0,0,0,0,0|2,0,0]=3 69 B4R0.1 C[C@H](O)CO Z1255449993 [1,0,0,0,0,0|1,0,0]=2 70 B4R0.1 N=C(N)CO Z1259341033 [1,0,0,0,0,0|2,0,1]=4 71 B4R0.1 NC(=O)CO Z424788508 [1,0,0,0,0,0|2,0,1]=4 72 B4R0.1 NCC(F)F Z1295543893 [1,0,0,0,0,0|3,0,0]=4 73 B4R0.1 O=C(O)CO Z104473274 [1,0,0,0,0,0|2,0,1]=4 74 B4R0.1 OCC(F)F Z397587054 [1,0,0,0,0,0|2,0,0]=3 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Z5410631465 [0,1,0,0,0,0|1,0,0]=2 95 B6R0.1 CCC(C)CNC Z1266854907 [0,1,0,0,0,0|2,0,0]=3 96 B6R0.1 CCC(C)N=C=S Z323038722 [0,1,0,0,0,0|1,1,1]=4 97 B6R0.1 CCC(N)CCO Z1258578227 [0,1,0,0,0,0|1,0,0]=2 98 B6R0.1 CCC(N)COC Z825742260 [0,1,0,0,0,0|3,0,0]=4 99 B6R0.1 CCC(O)CCN Z406342052 [0,1,0,0,0,0|2,0,0]=3 100 B6R0.1 CCC(O)CCO Z1198157972 [0,1,0,0,0,0|1,0,0]=2 101 B6R0.1 CCCC(=O)CN Z1203579017 [0,1,0,0,0,0|2,0,1]=4 102 B6R0.1 CCCC(C)C#N Z415654768 [0,1,0,0,0,0|1,0,1]=3 103 B6R0.1 CCCC(C)NC Z394693580 [0,1,0,0,0,0|1,0,0]=2 104 B6R0.1 CCCC(N)C#N Z398513448 [0,1,0,0,0,0|2,0,1]=4 105 B6R0.1 CCCC(N)CC Z1642389626 [0,1,0,0,0,0|2,0,0]=3 106 B6R0.1 CCCC(N)CN Z425861040 [0,1,0,0,0,0|2,0,0]=3 107 B6R0.1 CCCC(O)CN Z419084742 [0,1,0,0,0,0|2,0,0]=3 108 B6R0.1 CCCN(C)N=O Z1198147496 [0,1,0,0,0,0|3,0,0]=4 109 B6R0.1 CCNC(C)C#N Z2526709253 [0,1,0,0,0,0|2,0,1]=4 110 B6R0.1 CCNC(C)CC Z2509351098 [0,1,0,0,0,0|2,0,0]=3 111 B6R0.1 CCOC(C)CN Z844631802 [0,1,0,0,0,0|2,0,0]=3 112 B6R0.1 CCS(=O)CCN Z1266854910 [0,1,0,0,0,0|3,0,0]=4 113 B6R0.1 CCSC(C)C#N Z45225009 [0,1,0,0,0,0|2,0,1]=4 114 B6R0.1 CNC(=O)CCCl Z239813512 [0,1,0,0,0,0|2,0,1]=4 115 B6R0.1 CNC(=O)CCN Z425449754 [0,1,0,0,0,0|2,0,1]=4 116 B6R0.1 CNC(=O)CCO Z975909370 [0,1,0,0,0,0|1,0,1]=3 117 B6R0.1 CNC(C)CC#N Z666295372 [0,1,0,0,0,0|1,0,1]=3 118 B6R0.1 CNC(C)CCO Z1198266877 [0,1,0,0,0,0|0,0,0]=1 119 B6R0.1 CNC(C)COC Z815264298 [0,1,0,0,0,0|2,0,0]=3 120 B6R0.1 CNC(C)CSC Z995116552 [0,1,0,0,0,0|2,0,0]=3 121 B6R0.1 CNCC(C)OC Z2065788390 [0,1,0,0,0,0|2,0,0]=3 122 B6R0.1 CNC[C@H](O)CO Z600533638 [0,1,0,0,0,0|3,0,0]=4 123 B6R0.1 COC(C)CC#N Z847151020 [0,1,0,0,0,0|1,0,1]=3 124 B6R0.1 COC(C)CCN Z802903932 [0,1,0,0,0,0|1,0,0]=2 125 B6R0.1 COCC(C)CO Z1192375999 [0,1,0,0,0,0|2,0,0]=3 126 B6R0.1 COCC(N)CN Z1203580237 [0,1,0,0,0,0|3,0,0]=4 127 B6R0.1 COCC(N)CO Z1945984156 [0,1,0,0,0,0|3,0,0]=4 128 B6R0.1 COCC(O)CN Z271097108 [0,1,0,0,0,0|3,0,0]=4 129 B6R0.1 CSC(C)CCN Z732208464 [0,1,0,0,0,0|1,0,0]=2 130 B6R0.1 CSC(C)CCO Z1262258908 [0,1,0,0,0,0|0,0,0]=1 131 B6R0.1 CSCC(C)CN Z732208434 [0,1,0,0,0,0|2,0,0]=3 132 B6R0.1 CSCC(C)CO Z1270310211 [0,1,0,0,0,0|2,0,0]=3 133 B6R0.1 CSCC(O)CO Z1126770422 [0,1,0,0,0,0|3,0,0]=4 134 B6R0.1 NCC[C@H](F)CN Z4607150940 [0,1,0,0,0,0|2,0,0]=3 135 B6R0.2 C=C(C)CC(=O)O Z295890066 [0,1,0,0,0,0|0,0,3]=4 136 B6R0.2 CC(=CC(=O)O)C Z104480144 [0,1,0,0,0,0|0,0,3]=4 137 B6R0.2 CC(=O)CC(C)N Z57329385 [0,1,0,0,0,0|1,0,2]=4 138 B6R0.2 CC(C)CB(O)O Z1098324138 [0,1,0,0,0,0|1,0,0]=2 139 B6R0.2 CC(C)CC(=N)N Z1346385639 [0,1,0,0,0,0|1,0,1]=3 140 B6R0.2 CC(C)CC(=O)N Z33546511 [0,1,0,0,0,0|0,0,2]=3 141 B6R0.2 CC(C)CC(=O)O Z104474910 [0,1,0,0,0,0|0,0,1]=2 142 B6R0.2 CC(C)NC(=N)N Z1650168329 [0,1,0,0,0,0|2,0,1]=4 143 B6R0.2 CC(C)NC(=O)N Z56887677 [0,1,0,0,0,0|1,0,2]=4 144 B6R0.2 CC(C)NC(=S)N Z56979374 [0,1,0,0,0,0|1,1,1]=4 145 B6R0.2 CC(N)CC(=O)N Z594220690 [0,1,0,0,0,0|1,0,2]=4 146 B6R0.2 CC(N)CC(=O)O Z147647144 [0,1,0,0,0,0|1,0,1]=3 147 B6R0.2 CC(N)CS(=O)C Z1238793449 [0,1,0,0,0,0|2,0,1]=4 148 B6R0.2 CN(C)CC(=O)N Z54750057 [0,1,0,0,0,0|1,0,2]=4 149 B6R0.2 CN(C)CC(=O)O Z235580496 [0,1,0,0,0,0|1,0,1]=3 150 B6R0.2 C[C@H](N)CC(=O)O Z1741969208 [0,1,0,0,0,0|1,0,1]=3 151 B6R0.3 C#CC(C)N(C)C Z4928730999 [0,1,0,0,0,0|2,0,1]=4 152 B6R0.3 C#CC(N)C(C)C Z1982493902 [0,1,0,0,0,0|1,0,1]=3 153 B6R0.3 C#C[C@@H](N)C(C)C Z4351247948 [0,1,0,0,0,0|1,0,1]=3 154 B6R0.3 CC(=C(F)CN)C Z1203639272 [0,1,0,0,0,0|1,0,2]=4 155 B6R0.3 CC(C)C(=O)NN Z56926537 [0,1,0,0,0,0|2,0,1]=4 156 B6R0.3 CC(C)C(C)C#N Z415654752 [0,1,0,0,0,0|1,0,1]=3 157 B6R0.3 CC(C)C(C)CN Z415654990 [0,1,0,0,0,0|1,0,0]=2 158 B6R0.3 CC(C)C(N)C#N Z1266854874 [0,1,0,0,0,0|1,0,1]=3 159 B6R0.3 CC(C)C(N)CN Z1266933925 [0,1,0,0,0,0|1,0,0]=2 160 B6R0.3 CC(C)C(O)C#N Z802900598 [0,1,0,0,0,0|1,0,1]=3 161 B6R0.3 CC(C)C(O)CN Z1255523288 [0,1,0,0,0,0|1,0,0]=2 162 B6R0.3 CC(C)N(C)C=O Z1258520821 [0,1,0,0,0,0|1,0,2]=4 163 B6R0.3 CC(C)[C@@H](N)C#N Z1695797928 [0,1,0,0,0,0|1,0,1]=3 164 B6R0.3 CC(C)[C@H](N)C#N Z1708090079 [0,1,0,0,0,0|1,0,1]=3 165 B6R0.3 CC(C)[C@H](N)CO Z1741982893 [0,1,0,0,0,0|0,0,0]=1 166 B6R0.3 CC(CN)C(F)F Z3243520505 [0,1,0,0,0,0|3,0,0]=4 167 B6R0.3 CC(CN)N(C)C Z367452450 [0,1,0,0,0,0|2,0,0]=3 168 B6R0.3 CC(CO)C(=O)O Z431541400 [0,1,0,0,0,0|2,0,1]=4 169 B6R0.3 CC(N)C(C)CO Z1203581847 [0,1,0,0,0,0|1,0,0]=2 170 B6R0.3 CC(O)C(N)CN Z1250080890 [0,1,0,0,0,0|2,0,0]=3 171 B6R0.3 CCC(C)C(C)N Z335455612 [0,1,0,0,0,0|2,0,0]=3 172 B6R0.3 CCC(N)C(C)C Z823287438 [0,1,0,0,0,0|1,0,0]=2 173 B6R0.3 CCC(O)C(C)C Z445987082 [0,1,0,0,0,0|1,0,0]=2 174 B6R0.3 CCC(O)C(C)O Z1251352132 [0,1,0,0,0,0|2,0,0]=3 175 B6R0.3 CN(C)C(=N)CN Z220638406 [0,1,0,0,0,0|2,0,1]=4 176 B6R0.3 CN(C)C(=O)CN Z54751082 [0,1,0,0,0,0|2,0,1]=4 177 B6R0.3 CN(C)C(=O)CO Z431952018 [0,1,0,0,0,0|1,0,1]=3 178 B6R0.3 CNC(C)C(C)C Z139701846 [0,1,0,0,0,0|2,0,0]=3 179 B6R0.3 COC(=N)C(C)C Z2944341356 [0,1,0,0,0,0|2,0,1]=4 180 B6R0.3 COC(C)[C@@H](C)N Z2160914955 [0,1,0,0,0,0|3,0,0]=4 181 B6R0.3 COC(C)[C@H](C)N Z1795817829 [0,1,0,0,0,0|3,0,0]=4 182 B6R0.3 CSC(C)C(C)O Z1273036711 [0,1,0,0,0,0|3,0,0]=4 183 B6R0.3 NC(CO)C(=O)O Z57396986 [0,1,0,0,0,0|2,0,1]=4 184 B6R0.3 N[C@@H](CO)C(=O)O Z756440058 [0,1,0,0,0,0|2,0,1]=4 185 B6R0.3 N[C@H](CO)C(=O)O Z1070067572 [0,1,0,0,0,0|2,0,1]=4 186 B6R0.4 C#CCCC(C)O Z854048672 [0,1,0,0,0,0|2,0,0]=3 187 B6R0.4 C#CCNC(C)C Z2855995857 [0,1,0,0,0,0|1,0,1]=3 188 B6R0.4 C=CCCC(=O)C Z406376894 [0,1,0,0,0,0|2,0,1]=4 189 B6R0.4 C=CCCC(C)N Z3681295487 [0,1,0,0,0,0|2,0,0]=3 190 B6R0.4 C=CCNC(C)C Z607822478 [0,1,0,0,0,0|1,0,1]=3 191 B6R0.4 C=COCC(C)C Z916978390 [0,1,0,0,0,0|1,0,1]=3 192 B6R0.4 CC#CCC(C)N Z975788700 [0,1,0,0,0,0|2,0,1]=4 193 B6R0.4 CC(=O)CCC#N Z1251352415 [0,1,0,0,0,0|2,0,1]=4 194 B6R0.4 CC(=O)NCCCl Z57983106 [0,1,0,0,0,0|2,0,1]=4 195 B6R0.4 CC(=O)OCCN Z1973465551 [0,1,0,0,0,0|2,0,1]=4 196 B6R0.4 CC(C)CCCN Z992716898 [0,1,0,0,0,0|1,0,0]=2 197 B6R0.4 CC(C)CN=C=S Z87001659 [0,1,0,0,0,0|0,1,1]=3 198 B6R0.4 CC(C)NCC#N Z224190250 [0,1,0,0,0,0|1,0,1]=3 199 B6R0.4 CC(C)NCCN Z3375885739 [0,1,0,0,0,0|1,0,0]=2 200 B6R0.4 CC(C)NCCO Z137800940 [0,1,0,0,0,0|0,0,0]=1 201 B6R0.4 CC(C)OCC#N Z295206482 [0,1,0,0,0,0|1,0,1]=3 202 B6R0.4 CC(C)OCCN Z1688198421 [0,1,0,0,0,0|1,0,0]=2 203 B6R0.4 CC(C)OCCO Z104478444 [0,1,0,0,0,0|0,0,0]=1 204 B6R0.4 CC(C)SCCN Z2092369402 [0,1,0,0,0,0|1,0,0]=2 205 B6R0.4 CC(N)CCCN Z2230911100 [0,1,0,0,0,0|2,0,0]=3 206 B6R0.4 CC(N)CCCO Z1203578676 [0,1,0,0,0,0|1,0,0]=2 207 B6R0.4 CC(O)CCCN Z1198178891 [0,1,0,0,0,0|2,0,0]=3 208 B6R0.4 CCCCC(C)N Z3300506318 [0,1,0,0,0,0|2,0,0]=3 209 B6R0.4 CCCNC(=O)C Z33030314 [0,1,0,0,0,0|2,0,1]=4 210 B6R0.4 CCNCC(C)C Z380844664 [0,1,0,0,0,0|1,0,0]=2 211 B6R0.4 CCNCC(C)O Z138692768 [0,1,0,0,0,0|2,0,0]=3 212 B6R0.4 CCNCC(F)F Z1691545150 [0,1,0,0,0,0|3,0,0]=4 213 B6R0.4 CCOCC(C)N Z839575202 [0,1,0,0,0,0|2,0,0]=3 214 B6R0.4 CCSCC(C)N Z1203641186 [0,1,0,0,0,0|2,0,0]=3 215 B6R0.4 CN(C)CCC#N Z57980324 [0,1,0,0,0,0|2,0,0]=3 216 B6R0.4 CNCCC(=O)C Z1536943318 [0,1,0,0,0,0|2,0,1]=4 217 B6R0.4 CNCCC(C)C Z607822512 [0,1,0,0,0,0|1,0,0]=2 218 B6R0.4 CNCCC(C)O Z1203731868 [0,1,0,0,0,0|2,0,0]=3 219 B6R0.4 CNCCN(C)C Z138123106 [0,1,0,0,0,0|2,0,0]=3 220 B6R0.4 COCCC(=N)N Z1592042674 [0,1,0,0,0,0|2,0,1]=4 221 B6R0.4 COCCC(=O)C Z362119682 [0,1,0,0,0,0|1,0,1]=3 222 B6R0.4 COCCC(=O)N Z394696458 [0,1,0,0,0,0|2,0,1]=4 223 B6R0.4 COCCC(=O)O Z285184634 [0,1,0,0,0,0|2,0,1]=4 224 B6R0.4 COCCC(C)N Z361881180 [0,1,0,0,0,0|1,0,0]=2 225 B6R0.4 COCCC(C)O Z818738042 [0,1,0,0,0,0|1,0,0]=2 226 B6R0.4 COCCN(C)C Z5121096537 [0,1,0,0,0,0|1,0,0]=2 227 B6R0.4 N=C(N)NCCO Z911465228 [0,1,0,0,0,0|2,0,1]=4 228 B6R0.4 N=C(N)SCCO Z57111959 [0,1,0,0,0,0|2,0,1]=4 229 B6R0.4 NC(=O)CCCO Z1203578394 [0,1,0,0,0,0|2,0,1]=4 230 B6R0.4 NC(=O)OCCO Z1198158440 [0,1,0,0,0,0|2,0,1]=4 231 B6R0.4 NCCCC(F)F Z1198165810 [0,1,0,0,0,0|3,0,0]=4 232 B6R0.4 NCCSC(F)F Z2681247712 [0,1,0,0,0,0|3,0,0]=4 233 B6R0.5 C#CCC(C)(C)N Z3210767531 [0,1,0,0,0,0|1,0,1]=3 234 B6R0.5 C#CCC(C)(C)O Z1098923701 [0,1,0,0,0,0|1,0,1]=3 235 B6R0.5 CC#CC(C)(C)N Z1203578926 [0,1,0,0,0,0|1,0,2]=4 236 B6R0.5 CC(C)(F)CCN Z2515207542 [0,1,0,0,0,0|1,0,0]=2 237 B6R0.5 CC(C)(N)/C=C/Cl Z2827897660 [0,1,0,0,0,0|1,0,2]=4 238 B6R0.5 CC(C)(N)CCF Z4297373689 [0,1,0,0,0,0|1,0,0]=2 239 B6R0.5 CC(C)(N)CCN Z2218555716 [0,1,0,0,0,0|1,0,0]=2 240 B6R0.5 CC(C)(N)CCO Z1198183553 [0,1,0,0,0,0|0,0,0]=1 241 B6R0.5 CC(C)(O)CC#N Z1182322175 [0,1,0,0,0,0|1,0,1]=3 242 B6R0.5 CC(F)(F)CCN Z2230911674 [0,1,0,0,0,0|2,0,0]=3 243 B6R0.5 CCCC(C)(C)N Z1262250787 [0,1,0,0,0,0|1,0,0]=2 244 B6R0.5 CCCC(C)(C)O Z449374450 [0,1,0,0,0,0|1,0,0]=2 245 B6R0.5 CNCC(C)(C)C Z992717054 [0,1,0,0,0,0|2,0,0]=3 246 B6R0.5 CNCC(C)(C)O Z600453550 [0,1,0,0,0,0|2,0,0]=3 247 B6R0.5 COCC(C)(C)N Z1258578421 [0,1,0,0,0,0|2,0,0]=3 248 B6R0.5 CS(=O)(=O)CCN Z265638750 [0,1,0,0,0,0|3,0,0]=4 249 B6R0.5 C[N+](C)(C)CCBr Z1269136668 [0,1,0,0,0,0|2,0,0]=3 250 B6R0.5 C[N+](C)(C)CCF Z1255450613 [0,1,0,0,0,0|2,0,0]=3 251 B6R0.5 C[N+](C)(C)CCO Z2758800560 [0,1,0,0,0,0|1,0,0]=2 252 B6R0.5 NCCC(F)(F)F Z1741959014 [0,1,0,0,0,0|3,0,0]=4 253 B6R0.5 NS(=O)(=O)CCO Z1267897807 [0,1,0,0,0,0|3,0,0]=4 254 B6R1.2 C=C1CCNC1 Z3019986853 [0,0,0,1,0,0|1,0,2]=4 255 B6R1.2 C=C1CNOC1 Z3037884222 [0,0,0,1,0,0|1,0,2]=4 256 B6R1.2 CC1=CCNC1 Z1203734447 [0,0,0,1,0,0|1,0,2]=4 257 B6R1.2 CC1CCCN1 Z1274177652 [0,0,0,1,0,0|2,0,0]=3 258 B6R1.2 CC1CCNC1 Z729771722 [0,0,0,1,0,0|1,0,0]=2 259 B6R1.2 CC1CNNC1 Z4953319766 [0,0,0,1,0,0|2,0,0]=3 260 B6R1.2 FC1CCNC1 Z1139751347 [0,0,0,1,0,0|2,0,0]=3 261 B6R1.2 NC1C=CCC1 Z2679312470 [0,0,0,1,0,0|2,0,1]=4 262 B6R1.2 NC1CC=CC1 Z1416200863 [0,0,0,1,0,0|2,0,1]=4 263 B6R1.2 NC1CCOC1 Z802544198 [0,0,0,1,0,0|1,0,0]=2 264 B6R1.2 NC1CCSC1 Z1267885911 [0,0,0,1,0,0|1,1,0]=3 265 B6R1.2 N[C@@H]1C=CCC1 Z1203585093 [0,0,0,1,0,0|2,0,1]=4 266 B6R1.2 O=C1CCNC1 Z1741976513 [0,0,0,1,0,0|2,0,1]=4 267 B6R1.2 O=C1CCSC1 Z104495638 [0,0,0,1,0,0|1,1,1]=4 268 B6R1.2 O=S1CCCC1 Z278052312 [0,0,0,1,0,0|3,0,0]=4 269 B6R1.2 OC1C=CCC1 Z1255485846 [0,0,0,1,0,0|2,0,1]=4 270 B6R1.2 OC1CCOC1 Z1124541349 [0,0,0,1,0,0|1,0,0]=2 271 B6R1.2 OC1CCSC1 Z335244836 [0,0,0,1,0,0|1,1,0]=3 272 B6R1.2 O[C@@H]1CCNC1 Z1263714129 [0,0,0,1,0,0|2,0,0]=3 273 B6R1.2 O[C@H]1CCNC1 Z1263714116 [0,0,0,1,0,0|2,0,0]=3 274 B6R1.3 ClCCC1CO1 Z1205657512 [0,0,0,1,0,0|2,0,0]=3 275 B6R1.3 NCCC1CC1 Z1267773823 [0,0,0,1,0,0|1,0,0]=2 276 B6R1.3 O=C=NC1CC1 Z316172632 [0,0,0,1,0,0|1,0,2]=4 277 B6R1.3 O=CCC1CC1 Z905066058 [0,0,0,1,0,0|0,0,2]=3 278 B6R1.3 OCCC1CC1 Z826525694 [0,0,0,1,0,0|0,0,0]=1 279 B6R1.5 CC1CC(C1)N Z1357823942 [0,0,0,1,0,0|1,0,0]=2 280 B6R1.5 CC1CC(N1)C Z2143576622 [0,0,0,1,0,0|2,0,0]=3 281 B6R1.5 CN1CC(C1)N Z1741969265 [0,0,0,1,0,0|2,0,0]=3 282 B6R1.5 NC1CC(C1)N Z1511513968 [0,0,0,1,0,0|2,0,0]=3 283 B6R1.5 N[C@H]1C[C@@H](C1)N Z3244521251 [0,0,0,1,0,0|2,0,0]=3 284 B6R1.5 N[C@H]1C[C@H](C1)F Z3015579885 [0,0,0,1,0,0|2,0,0]=3 285 B6R1.5 N[C@H]1C[C@H](C1)O Z1416282421 [0,0,0,1,0,0|1,0,0]=2 286 B6R1.5 O[C@H]1C[C@H](C1)O Z2065357735 [0,0,0,1,0,0|1,0,0]=2 287 B6R1.8 C=C1CC1CN Z3454021936 [0,0,0,1,0,0|1,0,2]=4 288 B6R1.8 CC1CC1C#N Z1079178904 [0,0,0,1,0,0|1,0,1]=3 289 B6R1.8 CC1CC1C=O Z1079442440 [0,0,0,1,0,0|0,0,2]=3 290 B6R1.8 CC1CC1CN Z415636622 [0,0,0,1,0,0|1,0,0]=2 291 B6R1.8 CC1CC1CO Z397587430 [0,0,0,1,0,0|0,0,0]=1 292 B6R1.8 CC1OC1CCl Z1205657581 [0,0,0,1,0,0|2,0,0]=3 293 B6R1.8 C[C@H]1C[C@@H]1C=O Z1511765506 [0,0,0,1,0,0|0,0,2]=3 294 B6R1.8 C[C@H]1C[C@H]1C=O Z1511760860 [0,0,0,1,0,0|0,0,2]=3 295 B6R1.8 N[C@@H]1C[C@H]1CF Z3085640372 [0,0,0,1,0,0|2,0,0]=3 296 B6R1.8 O=CC1CC1Cl Z1262480603 [0,0,0,1,0,0|1,0,2]=4 297 B6R1.8 O=C[C@@H]1C[C@H]1Cl Z4541248007 [0,0,0,1,0,0|1,0,2]=4 298 B6R1.9 CC1(CC1N)C Z1259335876 [0,0,0,1,0,0|1,0,0]=2 299 B6R1.9 CC1OC1(C)C Z1255419606 [0,0,0,1,0,0|2,0,0]=3 300 B6R1.10 CC1(CCC1)N Z1741969618 [0,0,0,1,0,0|2,0,0]=3 301 B6R1.10 CC1(CCC1)O Z1241455013 [0,0,0,1,0,0|2,0,0]=3 302 B6R1.10 CC1(CCN1)C Z1198749898 [0,0,0,1,0,0|1,0,0]=2 303 B6R1.10 CC1(CNC1)C Z2142036999 [0,0,0,1,0,0|2,0,0]=3 304 B6R1.10 CC1(CNC1)F Z1964347522 [0,0,0,1,0,0|3,0,0]=4 305 B6R1.11 C=C(Cl)C1CO1 Z2574917304 [0,0,0,1,0,0|1,0,2]=4 306 B6R1.11 CC(C)C1CO1 Z1020679856 [0,0,0,1,0,0|0,0,0]=1 307 B6R1.11 CC(N)C1CC1 Z89283349 [0,0,0,1,0,0|2,0,0]=3 308 B3R0.1 C=CCO Z104473976 [2,0,0,0,0,0|0,0,2]=4 309 B3R0.1 NCCF Z1966571823 [2,0,0,0,0,0|2,0,0]=4 310 B3R0.1 NCCN Z104473714 [2,0,0,0,0,0|2,0,0]=4 311 B3R0.1 NCCO Z104473700 [2,0,0,0,0,0|1,0,0]=3 312 B3R0.1 NCCS Z104474494 [2,0,0,0,0,0|1,1,0]=4 313 B3R0.1 OCCS Z104473584 [2,0,0,0,0,0|1,0,0]=3 314 B3R0.2 CC(=O)O Z1954803614 [2,0,0,0,0,0|1,0,1]=4 315 B5R0.3 C#CC(N)CO Z2235790715 [1,1,0,0,0,0|1,0,1]=4 316 B5R0.3 C/N=C(\C)/NC Z1431002714 [1,1,0,0,0,0|1,0,1]=4 317 B5R0.3 C=C(CC)CN Z2238934536 [1,1,0,0,0,0|0,0,2]=4 318 B5R0.3 C=CC(N)CO Z2146514374 [1,1,0,0,0,0|1,0,1]=4 319 B5R0.3 CC(C#N)CO Z406338220 [1,1,0,0,0,0|0,0,1]=3 320 B5R0.3 CC(CN)CN Z951173758 [1,1,0,0,0,0|1,0,0]=3 321 B5R0.3 CC(CN)CO Z406342068 [1,1,0,0,0,0|0,0,0]=2 322 B5R0.3 CC(CO)CS Z1262475362 [1,1,0,0,0,0|0,0,0]=2 323 B5R0.3 CCC(=O)CC Z104476878 [1,1,0,0,0,0|1,0,1]=4 324 B5R0.3 CCC(=O)CN Z1203579016 [1,1,0,0,0,0|1,0,1]=4 325 B5R0.3 CCC(C)CN Z2350903977 [1,1,0,0,0,0|0,0,0]=2 326 B5R0.3 CCC(C)NC Z594038230 [1,1,0,0,0,0|0,0,0]=2 327 B5R0.3 CCC(N)C#N Z445129502 [1,1,0,0,0,0|1,0,1]=4 328 B5R0.3 CCC(N)CN Z1263714131 [1,1,0,0,0,0|1,0,0]=3 329 B5R0.3 CCC(N)CO Z104474862 [1,1,0,0,0,0|1,0,0]=3 330 B5R0.3 CCC(O)C#N Z419078094 [1,1,0,0,0,0|1,0,1]=4 331 B5R0.3 CCC(O)CN Z419084746 [1,1,0,0,0,0|1,0,0]=3 332 B5R0.3 CCC(O)CO Z600450538 [1,1,0,0,0,0|1,0,0]=3 333 B5R0.3 CCN(C)C=O Z1258520870 [1,1,0,0,0,0|1,0,1]=4 334 B5R0.3 CCN(C)N=O Z1198147516 [1,1,0,0,0,0|2,0,0]=4 335 B5R0.3 CC[C@@H](N)C#N Z1203638467 [1,1,0,0,0,0|1,0,1]=4 336 B5R0.3 CC[C@@H](N)CO Z1203162359 [1,1,0,0,0,0|1,0,0]=3 337 B5R0.3 CC[C@H](N)CO Z1203162358 [1,1,0,0,0,0|1,0,0]=3 338 B5R0.3 CNC(=O)CO Z431952700 [1,1,0,0,0,0|1,0,1]=4 339 B5R0.3 CNC(C)CN Z941154208 [1,1,0,0,0,0|1,0,0]=3 340 B5R0.3 COC(C)CN Z1795817756 [1,1,0,0,0,0|1,0,0]=3 341 B5R0.3 COC(C)CO Z1198150719 [1,1,0,0,0,0|0,0,0]=2 342 B5R0.3 CSC(C)CN Z844632970 [1,1,0,0,0,0|1,0,0]=3 343 B5R0.3 CSC(C)CO Z1273053291 [1,1,0,0,0,0|0,0,0]=2 344 B5R0.3 N#CC(N)CO Z2301438409 [1,1,0,0,0,0|1,0,1]=4 345 B5R0.3 NC(CO)CO Z1203577940 [1,1,0,0,0,0|1,0,0]=3 346 B5R0.3 NCC(F)CN Z2733320873 [1,1,0,0,0,0|2,0,0]=4 347 B5R0.3 NCC(N)CN Z1203578196 [1,1,0,0,0,0|2,0,0]=4 348 B5R0.3 NCC(O)CF Z2311274712 [1,1,0,0,0,0|2,0,0]=4 349 B5R0.3 O=C(CO)CO Z1255442144 [1,1,0,0,0,0|1,0,1]=4 350 B5R0.3 OCC(O)CO Z104473548 [1,1,0,0,0,0|1,0,0]=3 351 B5R0.3 OCC(O)CS Z1255382958 [1,1,0,0,0,0|1,0,0]=3 352 B5R0.4 C#CC(C)(C)O Z1245735173 [1,1,0,0,0,0|0,0,2]=4 353 B5R0.4 C=CC(C)(C)N Z2940715337 [1,1,0,0,0,0|0,0,2]=4 354 B5R0.4 CC(C)(C)C#N Z278179882 [1,1,0,0,0,0|1,0,1]=4 355 B5R0.4 CC(C)(C)CN Z291234094 [1,1,0,0,0,0|1,0,0]=3 356 B5R0.4 CC(C)(C)CO Z397587176 [1,1,0,0,0,0|0,0,0]=2 357 B5R0.4 CC(C)(F)C#N Z1198369138 [1,1,0,0,0,0|1,0,1]=4 358 B5R0.4 CC(C)(N)C#N Z57176535 [1,1,0,0,0,0|1,0,1]=4 359 B5R0.4 CC(C)(N)CN Z1266854946 [1,1,0,0,0,0|1,0,0]=3 360 B5R0.4 CC(C)(O)C#N Z104473082 [1,1,0,0,0,0|1,0,1]=4 361 B5R0.4 CC(C)(O)CO Z600454414 [1,1,0,0,0,0|0,0,0]=2 362 B5R0.4 CC(F)(F)CN Z1201623622 [1,1,0,0,0,0|2,0,0]=4 363 B5R0.4 CCC(C)(C)N Z104480062 [1,1,0,0,0,0|0,0,0]=2 364 B5R0.4 CCC(C)(C)O Z104473496 [1,1,0,0,0,0|0,0,0]=2 365 B5R0.4 OCC(Br)(Br)Br Z1269188950 [1,1,0,0,0,0|2,0,0]=4 366 B5R0.5 CC(=N)N(C)C Z1428159819 [1,1,0,0,0,0|1,0,1]=4 367 B5R0.5 CC(=O)C(C)N Z1263529525 [1,1,0,0,0,0|1,0,1]=4 368 B5R0.5 CC(Br)C(=O)O Z57127555 [1,1,0,0,0,0|1,0,1]=4 369 B5R0.5 CC(C)C(=N)N Z381357616 [1,1,0,0,0,0|1,0,1]=4 370 B5R0.5 CC(C)C(=O)N Z57046209 [1,1,0,0,0,0|0,0,2]=4 371 B5R0.5 CC(C)C(=O)O Z104473380 [1,1,0,0,0,0|0,0,1]=3 372 B5R0.5 CC(C)[N+](=O)[O-] Z104474978 [1,1,0,0,0,0|1,0,1]=4 373 B5R0.5 CC(Cl)C(=O)O Z147646840 [1,1,0,0,0,0|1,0,1]=4 374 B5R0.5 CC(N)C(=O)O Z57396987 [1,1,0,0,0,0|1,0,1]=4 375 B5R0.5 CC(N)C(C)N Z2335631664 [1,1,0,0,0,0|1,0,0]=3 376 B5R0.5 CC(O)C(C)O Z104473532 [1,1,0,0,0,0|1,0,0]=3 377 B5R0.5 CC(S)C(=O)O Z104477082 [1,1,0,0,0,0|1,0,1]=4 378 B5R0.5 C[C@@H](N)C(=O)O Z802692914 [1,1,0,0,0,0|1,0,1]=4 379 B5R0.5 C[C@H](N)C(=O)O Z756424912 [1,1,0,0,0,0|1,0,1]=4 380 B5R0.2 C#CCCCN Z1945700461 [1,1,0,0,0,0|1,0,1]=4 381 B5R0.2 C#CCCNC Z3270794267 [1,1,0,0,0,0|1,0,1]=4 382 B5R0.2 C#CCNCC Z815264056 [1,1,0,0,0,0|1,0,1]=4 383 B5R0.2 C/C=C/CCN Z1268152372 [1,1,0,0,0,0|1,0,1]=4 384 B5R0.2 C=CCCCN Z993058434 [1,1,0,0,0,0|1,0,1]=4 385 B5R0.2 C=CCNCC Z2044769224 [1,1,0,0,0,0|1,0,1]=4 386 B5R0.2 CC#CCCO Z1033337288 [1,1,0,0,0,0|0,0,1]=3 387 B5R0.2 CCC#CCN Z4935566672 [1,1,0,0,0,0|1,0,1]=4 388 B5R0.2 CCCCC=O Z104472992 [1,1,0,0,0,0|0,0,1]=3 389 B5R0.2 CCCCCN Z104472246 [1,1,0,0,0,0|1,0,0]=3 390 B5R0.2 CCCNCC Z138446288 [1,1,0,0,0,0|1,0,0]=3 391 B5R0.2 CCNCC#N Z235583784 [1,1,0,0,0,0|1,0,1]=4 392 B5R0.2 CCNCCF Z1198305484 [1,1,0,0,0,0|1,0,0]=3 393 B5R0.2 CCNCCO Z1258992395 [1,1,0,0,0,0|0,0,0]=2 394 B5R0.2 CCNOCC Z223690220 [1,1,0,0,0,0|2,0,0]=4 395 B5R0.2 CCOCC#N Z295205412 [1,1,0,0,0,0|1,0,1]=4 396 B5R0.2 CCOCCN Z271005962 [1,1,0,0,0,0|1,0,0]=3 397 B5R0.2 CCOCCO Z104473122 [1,1,0,0,0,0|0,0,0]=2 398 B5R0.2 CCSCCN Z3061111063 [1,1,0,0,0,0|1,0,0]=3 399 B5R0.2 CNCCCO Z104756980 [1,1,0,0,0,0|0,0,0]=2 400 B5R0.2 CNCCOC Z1259162131 [1,1,0,0,0,0|1,0,0]=3 401 B5R0.2 CNCCSC Z1398461959 [1,1,0,0,0,0|1,1,0]=4 402 B5R0.2 COCCC#N Z277467992 [1,1,0,0,0,0|1,0,1]=4 403 B5R0.2 COCCCO Z431517702 [1,1,0,0,0,0|0,0,0]=2 404 B5R0.2 COCCOC Z104473014 [1,1,0,0,0,0|1,0,0]=3 405 B5R0.2 N#CCCCN Z1649677743 [1,1,0,0,0,0|1,0,1]=4 406 B5R0.2 N#CCCCO Z385458622 [1,1,0,0,0,0|0,0,1]=3 407 B5R0.2 NCCCCF Z2177031126 [1,1,0,0,0,0|1,0,0]=3 408 B5R0.2 NCCCCN Z104472592 [1,1,0,0,0,0|1,0,0]=3 409 B5R0.2 OC/C=C/CO Z237581088 [1,1,0,0,0,0|0,0,2]=4 410 B7R0.2 CC(C)CC(C)C#N Z415654744 [0,2,0,0,0,0|1,0,0]=3 411 B7R0.2 CC(C)CC(C)CO Z1198147790 [0,2,0,0,0,0|0,0,0]=2 412 B7R0.2 CC(C)CC(N)C#N Z449369050 [0,2,0,0,0,0|1,0,0]=3 413 B7R0.2 CC(C)CC(N)CN Z425861052 [0,2,0,0,0,0|1,0,0]=3 414 B7R0.2 CC(C)CC(N)CO Z734151210 [0,2,0,0,0,0|0,0,0]=2 415 B7R0.2 CC(C)CC(O)CN Z1259162114 [0,2,0,0,0,0|0,0,0]=2 416 B7R0.2 CC(C)NC(=O)CN Z316170536 [0,2,0,0,0,0|1,0,1]=4 417 B7R0.2 CC(C)NC(=O)CO Z431952044 [0,2,0,0,0,0|0,0,1]=3 418 B7R0.2 CC(C)OC(=O)CN Z1245635749 [0,2,0,0,0,0|1,0,1]=4 419 B7R0.2 CC(CN)CC(=O)O Z1436472873 [0,2,0,0,0,0|0,0,1]=3 420 B7R0.2 CC(CN)CC(F)F Z2379696713 [0,2,0,0,0,0|1,0,0]=3 421 B7R0.2 CC(CN)CN(C)C Z406338972 [0,2,0,0,0,0|2,0,0]=4 422 B7R0.2 CC(CO)CC(F)F Z2285508033 [0,2,0,0,0,0|1,0,0]=3 423 B7R0.2 CC(O)CC(C)CN Z1245536559 [0,2,0,0,0,0|0,0,0]=2 424 B7R0.2 CCC(C)CC(=O)O Z352782882 [0,2,0,0,0,0|0,0,1]=3 425 B7R0.2 CCC(C)CC(C)N Z2472857681 [0,2,0,0,0,0|1,0,0]=3 426 B7R0.2 CCC(N)CC(=O)O Z1708090940 [0,2,0,0,0,0|1,0,1]=4 427 B7R0.2 CCN(C)CC(=O)O Z1459897022 [0,2,0,0,0,0|1,0,1]=4 428 B7R0.2 CN(C)C/C(=N/O)/N Z432067012 [0,2,0,0,0,0|1,0,1]=4 429 B7R0.2 CN(C)CC(N)CO Z2092369044 [0,2,0,0,0,0|1,0,0]=3 430 B7R0.2 CN(C)CC(O)CN Z270894906 [0,2,0,0,0,0|1,0,0]=3 431 B7R0.2 CNC(=N)CC(C)C Z4121959005 [0,2,0,0,0,0|1,0,1]=4 432 B7R0.2 CNC(C)CC(=O)N Z3070230004 [0,2,0,0,0,0|0,0,2]=4 433 B7R0.2 COC(=O)CC(C)N Z169856728 [0,2,0,0,0,0|1,0,1]=4 434 B7R0.2 COC(C)CC(=O)O Z431536426 [0,2,0,0,0,0|0,0,1]=3 435 B7R0.2 NCC(O)CC(=O)O Z1255390571 [0,2,0,0,0,0|1,0,1]=4 436 B7R0.2 NC[C@@H](O)CC(=O)O Z1203578293 [0,2,0,0,0,0|1,0,1]=4 437 B7R0.2 NC[C@H](O)CC(=O)O Z1198160294 [0,2,0,0,0,0|1,0,1]=4 438 B7R0.3 C#CCCN(C)CC Z3024739244 [0,2,0,0,0,0|2,0,0]=4 439 B7R0.3 CC(CN)CCCO Z2234185702 [0,2,0,0,0,0|0,0,0]=2 440 B7R0.3 CCC(C)NCCO Z335251014 [0,2,0,0,0,0|0,0,0]=2 441 B7R0.3 CCC(N)CCOC Z818738108 [0,2,0,0,0,0|1,0,0]=3 442 B7R0.3 CCC(O)CCCN Z1259162031 [0,2,0,0,0,0|2,0,0]=4 443 B7R0.3 CCCCC(C)NC Z446022384 [0,2,0,0,0,0|1,0,0]=3 444 B7R0.3 CCCCC(N)CC Z3303777618 [0,2,0,0,0,0|2,0,0]=4 445 B7R0.3 CCCCC(N)CN Z756921038 [0,2,0,0,0,0|2,0,0]=4 446 B7R0.3 CCNCC(C)C#N Z235583744 [0,2,0,0,0,0|1,0,1]=4 447 B7R0.3 CCNCC(C)CC Z335456758 [0,2,0,0,0,0|1,0,0]=3 448 B7R0.3 CCNCC(O)CC Z600449680 [0,2,0,0,0,0|2,0,0]=4 449 B7R0.3 CCOCC(O)CN Z271097110 [0,2,0,0,0,0|2,0,0]=4 450 B7R0.3 CCOCC(O)CO Z1178483452 [0,2,0,0,0,0|2,0,0]=4 451 B7R0.3 CCSCC(C)NC Z1238713281 [0,2,0,0,0,0|1,0,0]=3 452 B7R0.3 CNC(=N)CCOC Z2739543518 [0,2,0,0,0,0|1,0,1]=4 453 B7R0.3 CNC(=O)NCCO Z177090556 [0,2,0,0,0,0|1,0,1]=4 454 B7R0.3 CNC(=O)OCCO Z1198150357 [0,2,0,0,0,0|1,0,1]=4 455 B7R0.3 COCCC(C)CN Z879061310 [0,2,0,0,0,0|0,0,0]=2 456 B7R0.3 NCC(=O)NCCO Z401366912 [0,2,0,0,0,0|1,0,1]=4 457 B7R0.3 O=C(CO)NCCO Z1203732626 [0,2,0,0,0,0|1,0,1]=4 458 B7R0.5 C#CCC(O)C(C)C Z969111562 [0,2,0,0,0,0|1,0,0]=3 459 B7R0.5 C#CCN(C)C(C)C Z2863519293 [0,2,0,0,0,0|1,0,1]=4 460 B7R0.5 C/C(=C\CO)/C(C)C Z1896171007 [0,2,0,0,0,0|0,0,1]=3 461 B7R0.5 CC(C)C(=O)CC#N Z319444036 [0,2,0,0,0,0|1,0,1]=4 462 B7R0.5 CC(C)C(C)CCN Z4760484132 [0,2,0,0,0,0|1,0,0]=3 463 B7R0.5 CC(C)C(N)CCO Z979743766 [0,2,0,0,0,0|0,0,0]=2 464 B7R0.5 CC(C)C(O)CC#N Z1255499091 [0,2,0,0,0,0|1,0,0]=3 465 B7R0.5 CC(C)C(O)CCN Z1203588096 [0,2,0,0,0,0|1,0,0]=3 466 B7R0.5 CC(C)C(O)CCO Z1532770488 [0,2,0,0,0,0|0,0,0]=2 467 B7R0.5 CC(CCN)C(=O)O Z2298167292 [0,2,0,0,0,0|1,0,1]=4 468 B7R0.5 CC(CCN)C(F)F Z3633566314 [0,2,0,0,0,0|1,0,0]=3 469 B7R0.5 CC(CCN)S(=O)C Z1431460424 [0,2,0,0,0,0|1,0,0]=3 470 B7R0.5 CCCC(C)C(=O)O Z104477112 [0,2,0,0,0,0|1,0,1]=4 471 B7R0.5 CCCC(C)C(C)N Z2737299926 [0,2,0,0,0,0|1,0,0]=3 472 B7R0.5 CCNC(C)C(C)C Z910842872 [0,2,0,0,0,0|1,0,0]=3 473 B7R0.5 CCOC(=N)C(C)C Z1623864182 [0,2,0,0,0,0|1,0,1]=4 474 B7R0.5 CN(C)C(=O)CCN Z802671460 [0,2,0,0,0,0|2,0,0]=4 475 B7R0.5 CN(C)C(=O)CCO Z635883438 [0,2,0,0,0,0|1,0,0]=3 476 B7R0.5 CNCC(C)C(C)C Z3894049929 [0,2,0,0,0,0|1,0,0]=3 477 B7R0.5 CNCC(N)C(C)C Z756920458 [0,2,0,0,0,0|1,0,0]=3 478 B7R0.5 COCC(=O)C(C)C Z825742022 [0,2,0,0,0,0|0,0,1]=3 479 B7R0.5 COCC(N)C(C)C Z825742262 [0,2,0,0,0,0|0,0,0]=2 480 B7R0.5 NC(CCO)C(=O)O Z234896487 [0,2,0,0,0,0|1,0,1]=4 481 B7R0.5 N[C@@H](CCO)C(=O)O Z1172369006 [0,2,0,0,0,0|1,0,1]=4 482 B7R0.5 N[C@H](CCO)C(=O)O Z608345098 [0,2,0,0,0,0|1,0,1]=4 483 B7R0.7 C#CCN(C)CCO Z137708158 [0,2,0,0,0,0|1,0,0]=3 484 B7R0.7 CCCC(C)CCN Z2768767726 [0,2,0,0,0,0|1,0,0]=3 485 B7R0.7 CCCC(C)CNC Z3214687920 [0,2,0,0,0,0|1,0,0]=3 486 B7R0.7 CCCC(O)CCO Z1198158209 [0,2,0,0,0,0|1,0,0]=3 487 B7R0.7 CCNC(=O)CCO Z975909368 [0,2,0,0,0,0|1,0,1]=4 488 B7R0.7 CCNC(C)COC Z1245537976 [0,2,0,0,0,0|2,0,0]=4 489 B7R0.7 CCOC(C)OCC Z104476998 [0,2,0,0,0,0|2,0,0]=4 490 B7R0.7 CNCC(C)COC Z905006554 [0,2,0,0,0,0|2,0,0]=4 491 B7R0.7 COCC(N)CCO Z1238548168 [0,2,0,0,0,0|1,0,0]=3 492 B7R0.7 COCC(O)CCN Z1182310348 [0,2,0,0,0,0|2,0,0]=4 493 B7R0.7 NCCC(N)CCN Z4461966452 [0,2,0,0,0,0|2,0,0]=4 494 B7R0.7 NCCC(O)CCN Z4497194547 [0,2,0,0,0,0|2,0,0]=4 495 B7R0.10 CCC(C)C(=O)CN Z4526173679 [0,2,0,0,0,0|1,0,1]=4 496 B7R0.10 CCC(C)C(N)CO Z1255523308 [0,2,0,0,0,0|0,0,0]=2 497 B7R0.10 CCC(C)C(O)CC Z1138194601 [0,2,0,0,0,0|1,0,0]=3 498 B7R0.10 CCC(C)C(O)CN Z802901690 [0,2,0,0,0,0|1,0,0]=3 499 B7R0.10 CNC(=O)C(N)CO Z1203584884 [0,2,0,0,0,0|1,0,1]=4 500 B7R0.10 COC(=O)C(N)CO Z104479480 [0,2,0,0,0,0|1,0,1]=4 501 B7R0.10 OC[C@H](O)[C@H](O)CO Z1203161930 [0,2,0,0,0,0|1,0,0]=3 502 B7R0.11 C#CCC(C)(C)CN Z2786076871 [0,2,0,0,0,0|1,0,1]=4 503 B7R0.11 C#CCC(C)(O)CC Z1098923702 [0,2,0,0,0,0|1,0,1]=4 504 B7R0.11 C=CCC(C)(C)CN Z2211231731 [0,2,0,0,0,0|1,0,1]=4 505 B7R0.11 C=CCC(C)(C)CO Z1255384026 [0,2,0,0,0,0|1,0,1]=4 506 B7R0.11 CC(C)(CN)CCO Z1203583786 [0,2,0,0,0,0|0,0,0]=2 507 B7R0.11 CC(C)(CO)CC#N Z1198174423 [0,2,0,0,0,0|1,0,1]=4 508 B7R0.11 CC(C)(CO)CCN Z2234185673 [0,2,0,0,0,0|1,0,0]=3 509 B7R0.11 CC(O)(CO)CCO Z1238572721 [0,2,0,0,0,0|0,0,0]=2 510 B7R0.11 CCC(C)(C)CCN Z2724442932 [0,2,0,0,0,0|1,0,0]=3 511 B7R0.11 CCC(C)(C)CCO Z1198160090 [0,2,0,0,0,0|0,0,0]=2 512 B7R0.11 CCC(C)(N)COC Z4185518785 [0,2,0,0,0,0|2,0,0]=4 513 B7R0.11 CCC(F)(F)CCN Z4655824632 [0,2,0,0,0,0|2,0,0]=4 514 B7R0.11 CCCC(C)(N)CO Z734150846 [0,2,0,0,0,0|1,0,0]=3 515 B7R0.11 CCNC(C)(C)CO Z286489718 [0,2,0,0,0,0|2,0,0]=4 516 B7R0.11 CCOC(C)(C)CO Z1251352968 [0,2,0,0,0,0|2,0,0]=4 517 B7R0.11 CNC(C)(C)COC Z1093758072 [0,2,0,0,0,0|2,0,0]=4 518 B7R0.11 CNCC(C)(C)CO Z1198235262 [0,2,0,0,0,0|2,0,0]=4 519 B7R0.11 CNCC(C)(C)NC Z4308916979 [0,2,0,0,0,0|2,0,0]=4 520 B7R0.11 COC(C)(C)CCN Z2739025483 [0,2,0,0,0,0|1,0,0]=3 521 B7R0.11 COCC(C)(C)C#N Z1255429538 [0,2,0,0,0,0|2,0,0]=4 522 B7R0.11 COCC(C)(C)CN Z2188171555 [0,2,0,0,0,0|2,0,0]=4 523 B7R0.11 COCC(C)(C)CO Z1198238137 [0,2,0,0,0,0|2,0,0]=4 524 B7R0.11 COCC(C)(N)CN Z992447310 [0,2,0,0,0,0|2,0,0]=4 525 B7R0.11 COCC(C)(N)CO Z992449368 [0,2,0,0,0,0|2,0,0]=4 526 B7R0.11 COCC(C)(O)CN Z992449016 [0,2,0,0,0,0|2,0,0]=4 527 B7R0.11 CSCC(C)(O)CN Z1235968368 [0,2,0,0,0,0|2,0,0]=4 528 B7R0.11 OCCC(F)(F)CO Z1896514152 [0,2,0,0,0,0|1,0,0]=3 529 B7R0.12 CCC(CC)CCO Z1198174469 [0,2,0,0,0,0|0,0,0]=2 530 B7R0.12 CCCC(CO)OC Z2050356185 [0,2,0,0,0,0|1,0,0]=3 531 B7R0.12 CCN(CC)CCN Z104472254 [0,2,0,0,0,0|2,0,0]=4 532 B7R0.12 CCNC(CC)CC Z2130642482 [0,2,0,0,0,0|2,0,0]=4 533 B7R0.12 COCC(CN)OC Z1820007612 [0,2,0,0,0,0|2,0,0]=4 534 B7R0.9 CC(=O)CC(C)(C)C Z1171198845 [0,2,0,0,0,0|0,0,2]=4 535 B7R0.9 CC(C)(Br)CC(=O)O Z1262512457 [0,2,0,0,0,0|0,0,1]=3 536 B7R0.9 CC(C)(C)CC(=O)N Z278515142 [0,2,0,0,0,0|0,0,2]=4 537 B7R0.9 CC(C)(C)CC(=O)O Z104478420 [0,2,0,0,0,0|0,0,1]=3 538 B7R0.9 CC(C)(N)CC(=O)N Z1459435491 [0,2,0,0,0,0|0,0,2]=4 539 B7R0.9 CC(C)(N)CC(=O)O Z1255523279 [0,2,0,0,0,0|0,0,1]=3 540 B7R0.9 CC(C)(O)CC(=N)N Z3804955217 [0,2,0,0,0,0|1,0,1]=4 541 B7R0.9 CC(C)(O)CC(=O)O Z982131798 [0,2,0,0,0,0|0,0,1]=3 542 B7R0.9 CC(C)CS(=O)(=O)N Z734461478 [0,2,0,0,0,0|1,0,1]=4 543 B7R0.9 CC(F)(F)CC(=O)O Z1205496030 [0,2,0,0,0,0|1,0,1]=4 544 B7R0.9 CC(N)CC(C)(C)C Z1171199384 [0,2,0,0,0,0|1,0,0]=3 545 B7R0.9 CC(N)CC(C)(C)O Z2235409221 [0,2,0,0,0,0|1,0,0]=3 546 B7R0.9 CC(O)CC(C)(C)O Z1255485267 [0,2,0,0,0,0|0,0,0]=2 547 B7R0.9 CC(O)CS(=O)(=O)C Z991513264 [0,2,0,0,0,0|2,0,0]=4 548 B7R0.9 CN(C)CC(C)(C)N Z2284400097 [0,2,0,0,0,0|2,0,0]=4 549 B7R0.9 CN(C)CC(C)(C)O Z2235790912 [0,2,0,0,0,0|1,0,0]=3 550 B7R0.16 CC(C)C(Br)C(=O)O Z203888738 [0,2,0,0,0,0|0,0,1]=3 551 B7R0.16 CC(C)C(C)C(=O)O Z756391682 [0,2,0,0,0,0|0,0,1]=3 552 B7R0.16 CC(C)C(Cl)C(=O)O Z336080700 [0,2,0,0,0,0|0,0,1]=3 553 B7R0.16 CC(C)C(N)C(=O)N Z1266823200 [0,2,0,0,0,0|0,0,2]=4 554 B7R0.16 CC(C)C(N)C(=O)O Z57127382 [0,2,0,0,0,0|0,0,1]=3 555 B7R0.16 CC(C)C(O)C(C)N Z975823338 [0,2,0,0,0,0|1,0,0]=3 556 B7R0.16 CC(C)C(S)C(=O)O Z808230896 [0,2,0,0,0,0|0,0,1]=3 557 B7R0.16 CC(C)[C@@H](N)C(=O)N Z1198153018 [0,2,0,0,0,0|0,0,2]=4 558 B7R0.16 CC(C)[C@@H](N)C(=O)O Z813018028 [0,2,0,0,0,0|0,0,1]=3 559 B7R0.16 CC(C)[C@H](N)C(=O)O Z756430564 [0,2,0,0,0,0|0,0,1]=3 560 B7R0.16 CC(N)C(C)C(=O)O Z1198162847 [0,2,0,0,0,0|1,0,1]=4 561 B7R0.16 CC(O)C(=O)N(C)C Z431951926 [0,2,0,0,0,0|1,0,1]=4 562 B7R0.16 CC(O)C(C)C(=O)O Z982137146 [0,2,0,0,0,0|1,0,1]=4 563 B7R0.16 CC(O)C(O)C(C)O Z1896181589 [0,2,0,0,0,0|1,0,0]=3 564 B7R0.16 C[C@@H](C(=O)O)N(C)C Z1350606494 [0,2,0,0,0,0|1,0,1]=4 565 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O Z1201618669 [0,2,0,0,0,0|1,0,1]=4 566 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Z813019058 [0,2,0,0,0,0|1,0,1]=4 567 B7R0.16 C[C@H](C(=O)O)N(C)C Z1205493968 [0,2,0,0,0,0|1,0,1]=4 568 B7R0.16 C[C@H](O)[C@H](N)C(=O)O Z1162448524 [0,2,0,0,0,0|1,0,1]=4 569 B7R0.13 CC(=O)C(C)(C)CO Z1216812592 [0,2,0,0,0,0|1,0,1]=4 570 B7R0.13 CC(C)C(C)(C)CN Z1770193479 [0,2,0,0,0,0|1,0,0]=3 571 B7R0.13 CC(C)C(C)(N)C#N Z56943431 [0,2,0,0,0,0|1,0,1]=4 572 B7R0.13 CC(C)C(C)(N)CO Z2160887261 [0,2,0,0,0,0|0,0,0]=2 573 B7R0.13 CC(C)C(C)(O)CN Z419085036 [0,2,0,0,0,0|1,0,0]=3 574 B7R0.13 CC(C)C(F)(F)CN Z2310716426 [0,2,0,0,0,0|1,0,0]=3 575 B7R0.13 CC(N)(CO)C(F)F Z3487421443 [0,2,0,0,0,0|2,0,0]=4 576 B7R0.13 CC(O)C(C)(O)CO Z1896353165 [0,2,0,0,0,0|1,0,0]=3 577 B7R0.13 CCC(C)(C)C(C)C Z1198148974 [0,2,0,0,0,0|1,0,0]=3 578 B7R0.13 CCC(C)(C)C(C)N Z1509089498 [0,2,0,0,0,0|2,0,0]=4 579 B7R0.13 OCC(F)(F)C(F)F Z104477086 [0,2,0,0,0,0|2,0,0]=4 580 B7R0.14 C#CC(N)C(C)(C)C Z2082999410 [0,2,0,0,0,0|1,0,1]=4 581 B7R0.14 C=CC(O)C(C)(C)C Z1262397707 [0,2,0,0,0,0|1,0,1]=4 582 B7R0.14 CC(C#N)C(C)(C)C Z415654756 [0,2,0,0,0,0|1,0,1]=4 583 B7R0.14 CC(C)(C)/C(=N/O)/N Z278180212 [0,2,0,0,0,0|1,0,1]=4 584 B7R0.14 CC(C)(C)C(=O)CN Z56800493 [0,2,0,0,0,0|1,0,1]=4 585 B7R0.14 CC(C)(C)C(=O)NO Z59181923 [0,2,0,0,0,0|1,0,1]=4 586 B7R0.14 CC(C)(C)C(N)C#N Z803055956 [0,2,0,0,0,0|1,0,1]=4 587 B7R0.14 CC(C)(C)C(N)CN Z1992316411 [0,2,0,0,0,0|1,0,0]=3 588 B7R0.14 CC(C)(C)C(N)CO Z2004547930 [0,2,0,0,0,0|0,0,0]=2 589 B7R0.14 CC(C)(C)C(O)CN Z803056426 [0,2,0,0,0,0|1,0,0]=3 590 B7R0.14 CC(CN)C(C)(F)F Z3813453680 [0,2,0,0,0,0|2,0,0]=4 591 B7R0.14 CCC(N)C(C)(C)O Z2216302967 [0,2,0,0,0,0|1,0,0]=3 592 B7R0.14 CCC(N)C(C)(F)F Z4077526422 [0,2,0,0,0,0|2,0,0]=4 593 B7R0.14 CNC(C)C(C)(C)C Z335451384 [0,2,0,0,0,0|2,0,0]=4 594 B7R0.14 N[C@H](CO)C(F)(F)F Z1198277881 [0,2,0,0,0,0|2,0,0]=4 595 B7R0.15 C#CC(CN)C(C)C Z5582800511 [0,2,0,0,0,0|1,0,0]=3 596 B7R0.15 CCC(C#N)N(C)C Z2858786397 [0,2,0,0,0,0|2,0,0]=4 597 B7R0.15 CCC(CC)C(C)N Z728804288 [0,2,0,0,0,0|2,0,0]=4 598 B7R0.15 CCC(CN)C(C)C Z608350088 [0,2,0,0,0,0|1,0,0]=3 599 B7R0.15 CCC(CN)N(C)C Z367678736 [0,2,0,0,0,0|2,0,0]=4 600 B7R0.15 CCN(N=O)C(C)C Z2375613691 [0,2,0,0,0,0|2,0,0]=4 601 B7R0.15 COC(C#N)C(C)C Z1270206972 [0,2,0,0,0,0|1,0,1]=4 602 B7R0.15 COC(CN)C(C)C Z2310718859 [0,2,0,0,0,0|1,0,0]=3 603 B7R0.15 COC(CO)C(C)C Z1898597061 [0,2,0,0,0,0|0,0,0]=2 604 B7R0.15 CSC(CO)C(C)N Z1238540891 [0,2,0,0,0,0|1,0,0]=3 605 B7R0.4 CC(=O)NCCCO Z353570744 [0,2,0,0,0,0|1,0,1]=4 606 B7R0.4 CC(C)C/C=C/CO Z1813145997 [0,2,0,0,0,0|0,0,0]=2 607 B7R0.4 CC(C)CCCCN Z1250132304 [0,2,0,0,0,0|1,0,0]=3 608 B7R0.4 CC(C)CNCCO Z3269089575 [0,2,0,0,0,0|0,0,0]=2 609 B7R0.4 CC(C)COCCN Z594038266 [0,2,0,0,0,0|1,0,0]=3 610 B7R0.4 CC(C)CSCCN Z1520645037 [0,2,0,0,0,0|1,0,0]=3 611 B7R0.4 CC(C)NCCCO Z56799938 [0,2,0,0,0,0|0,0,0]=2 612 B7R0.4 CC(C)OCCC#N Z317037874 [0,2,0,0,0,0|1,0,0]=3 613 B7R0.4 CC(C)OCCCN Z2677507870 [0,2,0,0,0,0|1,0,0]=3 614 B7R0.4 CC(C)OCCCO Z1080358780 [0,2,0,0,0,0|0,0,0]=2 615 B7R0.4 CC(N)CCCCN Z2186882580 [0,2,0,0,0,0|2,0,0]=4 616 B7R0.4 CC(N)CCCCO Z2234185667 [0,2,0,0,0,0|1,0,0]=3 617 B7R0.4 CCCCCC(C)N Z104495176 [0,2,0,0,0,0|2,0,0]=4 618 B7R0.4 CCCNCC(C)C Z90518190 [0,2,0,0,0,0|1,0,0]=3 619 B7R0.4 CN(C)CCCC#N Z168912116 [0,2,0,0,0,0|2,0,0]=4 620 B7R0.4 CN(C)CCCCN Z285162754 [0,2,0,0,0,0|2,0,0]=4 621 B7R0.4 CNCCCN(C)C Z138118060 [0,2,0,0,0,0|2,0,0]=4 622 B7R0.4 COCCCC(=O)C Z406376722 [0,2,0,0,0,0|1,0,1]=4 623 B7R0.4 COCCCC(C)O Z854048762 [0,2,0,0,0,0|1,0,0]=3 624 B7R0.4 COCCCN(C)C Z2894648941 [0,2,0,0,0,0|1,0,0]=3 625 B7R0.4 OCCNCC(F)F Z608352548 [0,2,0,0,0,0|2,0,0]=4 626 B7R0.4 OCCOCC(F)F Z1251415632 [0,2,0,0,0,0|2,0,0]=4 627 B7R0.6 CC(=O)CCC(=O)O Z104477318 [0,2,0,0,0,0|1,0,1]=4 628 B7R0.6 CC(=O)NCC(C)O Z353603952 [0,2,0,0,0,0|1,0,1]=4 629 B7R0.6 CC(C)C#CC(=O)O Z1205493820 [0,2,0,0,0,0|0,0,2]=4 630 B7R0.6 CC(C)CCC(=N)N Z2522503133 [0,2,0,0,0,0|1,0,0]=3 631 B7R0.6 CC(C)CCC(=O)O Z56347204 [0,2,0,0,0,0|0,0,0]=2 632 B7R0.6 CC(C)CNC(=O)N Z56895708 [0,2,0,0,0,0|0,0,2]=4 633 B7R0.6 CC(C)CNC(C)C Z361996484 [0,2,0,0,0,0|1,0,0]=3 634 B7R0.6 CC(C)NCC(=O)N Z56969693 [0,2,0,0,0,0|0,0,2]=4 635 B7R0.6 CC(C)NCC(=O)O Z359419672 [0,2,0,0,0,0|0,0,1]=3 636 B7R0.6 CC(C)NCC(F)F Z1442017493 [0,2,0,0,0,0|1,0,0]=3 637 B7R0.6 CC(C)OCC(=N)N Z1511495251 [0,2,0,0,0,0|1,0,1]=4 638 B7R0.6 CC(C)OCC(=O)O Z316259244 [0,2,0,0,0,0|0,0,1]=3 639 B7R0.6 CC(C)SCC(=O)O Z214812600 [0,2,0,0,0,0|0,0,1]=3 640 B7R0.6 CC(N)CCC(=O)O Z1235963367 [0,2,0,0,0,0|1,0,0]=3 641 B7R0.6 CC(N)CCC(F)F Z2737504348 [0,2,0,0,0,0|2,0,0]=4 642 B7R0.6 CC(N)CCN(C)C Z316119490 [0,2,0,0,0,0|2,0,0]=4 643 B7R0.6 CC(N)CCS(=O)C Z1269750451 [0,2,0,0,0,0|1,0,1]=4 644 B7R0.6 CC(O)CCC(=O)O Z838959470 [0,2,0,0,0,0|1,0,0]=3 645 B7R0.6 CC(O)CNC(C)C Z138692704 [0,2,0,0,0,0|0,0,0]=2 646 B7R0.6 CN(C)CCC(=N)N Z2582511037 [0,2,0,0,0,0|2,0,0]=4 647 B7R0.6 CN(C)CCC(=O)N Z168912842 [0,2,0,0,0,0|1,0,1]=4 648 B7R0.6 CN(C)CCC(=O)O Z168912830 [0,2,0,0,0,0|1,0,0]=3 649 B7R0.6 CN(C)CCC(=S)N Z370706836 [0,2,0,0,0,0|1,1,0]=4 650 B7R0.6 CN(C)CCN(C)C Z56755629 [0,2,0,0,0,0|2,0,0]=4 651 B7R0.6 CS(=O)CCC(=O)O Z667974346 [0,2,0,0,0,0|2,0,0]=4 652 B7R0.8 C=CCNC(C)(C)C Z2583036183 [0,2,0,0,0,0|1,0,1]=4 653 B7R0.8 CC(C)(C)CCC#N Z819990894 [0,2,0,0,0,0|1,0,0]=3 654 B7R0.8 CC(C)(C)CCCN Z819989370 [0,2,0,0,0,0|1,0,0]=3 655 B7R0.8 CC(C)(C)CCCO Z1183459256 [0,2,0,0,0,0|0,0,0]=2 656 B7R0.8 CC(C)(C)NCCN Z756919712 [0,2,0,0,0,0|1,0,0]=3 657 B7R0.8 CC(C)(C)OCCN Z362798546 [0,2,0,0,0,0|1,0,0]=3 658 B7R0.8 CC(C)(C)SCCO Z71305457 [0,2,0,0,0,0|0,0,0]=2 659 B7R0.8 CC(C)(N)CCCN Z1184860919 [0,2,0,0,0,0|1,0,0]=3 660 B7R0.8 CC(C)(O)CCCO Z1255438724 [0,2,0,0,0,0|0,0,0]=2 661 B7R0.8 CC(F)(F)CCCN Z2230911371 [0,2,0,0,0,0|2,0,0]=4 662 B7R0.8 CCCCC(C)(C)N Z4437707785 [0,2,0,0,0,0|1,0,0]=3 663 B7R0.8 CCCNC(C)(C)C Z744754558 [0,2,0,0,0,0|1,0,0]=3 664 B7R0.8 CCNCC(C)(C)O Z600453556 [0,2,0,0,0,0|1,0,0]=3 665 B7R0.8 CNCCC(C)(C)C Z2380417739 [0,2,0,0,0,0|1,0,0]=3 666 B7R0.8 CNCCC(C)(C)N Z2313105672 [0,2,0,0,0,0|1,0,0]=3 667 B7R0.8 COCCC(C)(C)N Z879061970 [0,2,0,0,0,0|0,0,0]=2 668 B7R0.8 CS(=O)(=O)CCCO Z1080376164 [0,2,0,0,0,0|2,0,0]=4 669 B7R0.8 CS(=O)(=O)NCCO Z57801016 [0,2,0,0,0,0|2,0,0]=4 670 B7R0.8 OCCSC(F)(F)F Z56770481 [0,2,0,0,0,0|2,0,0]=4 671 B5R1.2 NC1CCC1 Z1266823158 [1,0,0,1,0,0|1,0,0]=3 672 B5R1.2 NC1COC1 Z317054188 [1,0,0,1,0,0|1,0,0]=3 673 B5R1.2 OC1CNC1 Z1012638850 [1,0,0,1,0,0|2,0,0]=4 674 B5R1.2 OC1COC1 Z1123686553 [1,0,0,1,0,0|1,0,0]=3 675 B5R1.3 CNC1CC1 Z138412880 [1,0,0,1,0,0|1,0,0]=3 676 B5R1.3 ClCC1CO1 Z104473190 [1,0,0,1,0,0|2,0,0]=4 677 B5R1.3 N#CC1CC1 Z247612572 [1,0,0,1,0,0|1,0,1]=4 678 B5R1.3 OCC1CC1 Z104479000 [1,0,0,1,0,0|0,0,0]=2 679 B5R1.3 OCC1CO1 Z104476180 [1,0,0,1,0,0|1,0,0]=3 680 B5R1.3 OC[C@@H]1CO1 Z1222330631 [1,0,0,1,0,0|1,0,0]=3 681 B5R1.3 OC[C@H]1CO1 Z1222330633 [1,0,0,1,0,0|1,0,0]=3 682 B5R1.4 CC1CC1N Z406520774 [1,0,0,1,0,0|1,0,0]=3 683 B5R1.4 C[C@@H]1C[C@H]1N Z993905302 [1,0,0,1,0,0|1,0,0]=3 684 B7R1.1 BrCC1CCCO1 Z90660999 [0,1,0,1,0,0|2,0,0]=4 685 B7R1.1 CCC1CCCN1 Z281773802 [0,1,0,1,0,0|2,0,0]=4 686 B7R1.1 CCC1CCNC1 Z1407004100 [0,1,0,1,0,0|1,0,0]=3 687 B7R1.1 CNC1CCCC1 Z102766802 [0,1,0,1,0,0|1,0,0]=3 688 B7R1.1 CNC1CCOC1 Z1079260566 [0,1,0,1,0,0|0,0,0]=2 689 B7R1.1 CNC1CCSC1 Z102767000 [0,1,0,1,0,0|0,1,0]=3 690 B7R1.1 CO[C@@H]1CCNC1 Z1335657682 [0,1,0,1,0,0|1,0,0]=3 691 B7R1.1 CO[C@H]1CCNC1 Z1335657810 [0,1,0,1,0,0|1,0,0]=3 692 B7R1.1 ClCC1CCCO1 Z56893271 [0,1,0,1,0,0|2,0,0]=4 693 B7R1.1 FCC1CCCN1 Z2216711551 [0,1,0,1,0,0|2,0,0]=4 694 B7R1.1 N#CC1CCCC1 Z285131394 [0,1,0,1,0,0|1,0,1]=4 695 B7R1.1 N#CC1CCNC1 Z2679312473 [0,1,0,1,0,0|1,0,1]=4 696 B7R1.1 N#CC1CCOC1 Z605647006 [0,1,0,1,0,0|0,0,1]=3 697 B7R1.1 NCC1=NOCC1 Z3217343112 [0,1,0,1,0,0|1,0,1]=4 698 B7R1.1 NCC1C=CCC1 Z2768196818 [0,1,0,1,0,0|1,0,1]=4 699 B7R1.1 NCC1CC=CC1 Z2310699469 [0,1,0,1,0,0|1,0,1]=4 700 B7R1.1 NCC1CCCC1 Z367452206 [0,1,0,1,0,0|1,0,0]=3 701 B7R1.1 NCC1CCCS1 Z1201677924 [0,1,0,1,0,0|2,0,0]=4 702 B7R1.1 NCC1COCO1 Z2298138033 [0,1,0,1,0,0|1,0,0]=3 703 B7R1.1 NC[C@@H]1CCCN1 Z3235020468 [0,1,0,1,0,0|2,0,0]=4 704 B7R1.1 NC[C@H]1CCCN1 Z1483956794 [0,1,0,1,0,0|2,0,0]=4 705 B7R1.1 NNC1CCCC1 Z285139110 [0,1,0,1,0,0|2,0,0]=4 706 B7R1.1 O=CC1CCCC1 Z875036058 [0,1,0,1,0,0|1,0,1]=4 707 B7R1.1 O=CC1CCOC1 Z199056102 [0,1,0,1,0,0|0,0,1]=3 708 B7R1.1 O=CC1CCSC1 Z1201681645 [0,1,0,1,0,0|0,1,1]=4 709 B7R1.1 O=NN1CCOC1 Z1198157988 [0,1,0,1,0,0|2,0,0]=4 710 B7R1.1 OCC1CC=CC1 Z1201622687 [0,1,0,1,0,0|1,0,1]=4 711 B7R1.1 OCC1CCCC1 Z397587414 [0,1,0,1,0,0|1,0,0]=3 712 B7R1.1 OCC1CCCN1 Z825308062 [0,1,0,1,0,0|2,0,0]=4 713 B7R1.1 OCC1CCCS1 Z1201679857 [0,1,0,1,0,0|2,0,0]=4 714 B7R1.1 OCC1CCNC1 Z976722188 [0,1,0,1,0,0|1,0,0]=3 715 B7R1.1 OCC1CCOC1 Z335245192 [0,1,0,1,0,0|0,0,0]=2 716 B7R1.1 OCC1CCSC1 Z1201679855 [0,1,0,1,0,0|0,1,0]=3 717 B7R1.1 OC[C@@H]1CCCN1 Z1123715411 [0,1,0,1,0,0|2,0,0]=4 718 B7R1.2 CC1CC(=O)CN1 Z1509349081 [0,1,0,1,0,0|0,0,2]=4 719 B7R1.2 CC1CC(CN1)O Z1201051000 [0,1,0,1,0,0|0,0,0]=2 720 B7R1.2 CC1CC(CO1)N Z2418414350 [0,1,0,1,0,0|1,0,0]=3 721 B7R1.2 CC1CC(CS1)N Z1203639702 [0,1,0,1,0,0|1,0,0]=3 722 B7R1.2 CC1CCC(=O)N1 Z1250132456 [0,1,0,1,0,0|1,0,1]=4 723 B7R1.2 CC1CCC(=O)O1 Z963595138 [0,1,0,1,0,0|1,0,1]=4 724 B7R1.2 CC1CCC(C1)O Z1233224917 [0,1,0,1,0,0|0,0,0]=2 725 B7R1.2 CC1CCC(N1)C Z1413780490 [0,1,0,1,0,0|2,0,0]=4 726 B7R1.2 CC1CNC(=N)C1 Z4085233400 [0,1,0,1,0,0|1,0,1]=4 727 B7R1.2 CC1CNC(=O)C1 Z959319678 [0,1,0,1,0,0|0,0,2]=4 728 B7R1.2 CC1CNC(C1)C Z1250222491 [0,1,0,1,0,0|1,0,0]=3 729 B7R1.2 CN1CCC(=O)C1 Z415646350 [0,1,0,1,0,0|1,0,1]=4 730 B7R1.2 C[C@H]1CC[C@H](N1)C Z3244812696 [0,1,0,1,0,0|2,0,0]=4 731 B7R1.2 NC1CCS(=O)C1 Z1267860904 [0,1,0,1,0,0|1,0,1]=4 732 B7R1.2 N[C@H]1CC[C@H](C1)N Z2752749810 [0,1,0,1,0,0|2,0,0]=4 733 B7R1.2 O=C1CC(CN1)O Z1198157723 [0,1,0,1,0,0|1,0,1]=4 734 B7R1.3 CC1=CCCNC1 Z2143573194 [0,1,0,1,0,0|1,0,1]=4 735 B7R1.3 CC1CNCCN1 Z104480242 [0,1,0,1,0,0|1,0,0]=3 736 B7R1.3 CC1CNCCO1 Z204013884 [0,1,0,1,0,0|1,0,0]=3 737 B7R1.3 CC1CNCCS1 Z334686272 [0,1,0,1,0,0|1,0,0]=3 738 B7R1.3 CC1COCCN1 Z336087928 [0,1,0,1,0,0|0,0,0]=2 739 B7R1.3 CC1CSCCN1 Z334686282 [0,1,0,1,0,0|0,1,0]=3 740 B7R1.3 CN1CCNCC1 Z57834041 [0,1,0,1,0,0|2,0,0]=4 741 B7R1.3 C[C@H]1CCCNC1 Z1895741201 [0,1,0,1,0,0|1,0,0]=3 742 B7R1.3 C[C@H]1CNCCN1 Z1187834254 [0,1,0,1,0,0|1,0,0]=3 743 B7R1.3 FC1CCNCC1 Z1741960061 [0,1,0,1,0,0|2,0,0]=4 744 B7R1.3 NC1CCCCC1 Z1945707495 [0,1,0,1,0,0|2,0,0]=4 745 B7R1.3 NC1CCCOC1 Z1013492300 [0,1,0,1,0,0|1,0,0]=3 746 B7R1.3 NC1CCCSC1 Z1029463244 [0,1,0,1,0,0|1,1,0]=4 747 B7R1.3 NC1CCOCC1 Z600428352 [0,1,0,1,0,0|1,0,0]=3 748 B7R1.3 NC1CCSCC1 Z992716928 [0,1,0,1,0,0|1,1,0]=4 749 B7R1.3 OC1CCCCC1 Z104473498 [0,1,0,1,0,0|2,0,0]=4 750 B7R1.3 OC1CCCSC1 Z993818972 [0,1,0,1,0,0|1,1,0]=4 751 B7R1.3 OC1CCNCC1 Z56347197 [0,1,0,1,0,0|2,0,0]=4 752 B7R1.3 OC1CCOCC1 Z1359429523 [0,1,0,1,0,0|1,0,0]=3 753 B7R1.3 OC1CCONC1 Z3325124334 [0,1,0,1,0,0|1,0,0]=3 754 B7R1.3 OC1CNCCO1 Z1428160315 [0,1,0,1,0,0|2,0,0]=4 755 B7R1.3 OC1COCOC1 Z431564488 [0,1,0,1,0,0|1,0,0]=3 756 B7R1.4 C=C1COCC1N Z3066568668 [0,1,0,1,0,0|0,0,2]=4 757 B7R1.4 CC1CCCC1=O Z813018382 [0,1,0,1,0,0|1,0,1]=4 758 B7R1.4 CC1CCCC1N Z1219738990 [0,1,0,1,0,0|1,0,0]=3 759 B7R1.4 CC1CCNC1=O Z1198147219 [0,1,0,1,0,0|1,0,1]=4 760 B7R1.4 CC1CCNC1C Z1335657674 [0,1,0,1,0,0|1,0,0]=3 761 B7R1.4 CC1CNCC1C Z1281657986 [0,1,0,1,0,0|1,0,0]=3 762 B7R1.4 CC1SCCC1N Z2408712737 [0,1,0,1,0,0|1,1,0]=4 763 B7R1.4 C[C@@H]1CCC[C@@H]1N Z2309845262 [0,1,0,1,0,0|1,0,0]=3 764 B7R1.4 C[C@@H]1CCC[C@H]1N Z2568757690 [0,1,0,1,0,0|1,0,0]=3 765 B7R1.4 C[C@@H]1CNC[C@@H]1O Z2309845194 [0,1,0,1,0,0|1,0,0]=3 766 B7R1.4 C[C@@H]1NCC[C@H]1O Z2235678880 [0,1,0,1,0,0|2,0,0]=4 767 B7R1.4 C[C@H]1OCC[C@H]1N Z2186882122 [0,1,0,1,0,0|1,0,0]=3 768 B7R1.4 NC1CCOC1=O Z56921763 [0,1,0,1,0,0|1,0,1]=4 769 B7R1.4 N[C@@H]1CCC[C@@H]1O Z2306841441 [0,1,0,1,0,0|2,0,0]=4 770 B7R1.4 N[C@@H]1CCC[C@H]1N Z2786079696 [0,1,0,1,0,0|2,0,0]=4 771 B7R1.4 N[C@@H]1CCC[C@H]1O Z2256393934 [0,1,0,1,0,0|2,0,0]=4 772 B7R1.4 N[C@@H]1COC[C@@H]1F Z2756848808 [0,1,0,1,0,0|1,0,0]=3 773 B7R1.4 N[C@@H]1COC[C@H]1F Z4185697479 [0,1,0,1,0,0|1,0,0]=3 774 B7R1.4 N[C@@H]1COC[C@H]1N Z2306914123 [0,1,0,1,0,0|1,0,0]=3 775 B7R1.4 N[C@@H]1CSC[C@@H]1O Z3068057819 [0,1,0,1,0,0|1,1,0]=4 776 B7R1.4 N[C@H]1CCC[C@@H]1O Z1197994837 [0,1,0,1,0,0|2,0,0]=4 777 B7R1.4 N[C@H]1CNC[C@H]1N Z4670285097 [0,1,0,1,0,0|2,0,0]=4 778 B7R1.4 OC1CCCC1O Z600452564 [0,1,0,1,0,0|2,0,0]=4 779 B7R1.4 OC1CNCC1O Z1147229592 [0,1,0,1,0,0|2,0,0]=4 780 B7R1.4 O[C@@H]1CNC[C@H]1F Z2307368320 [0,1,0,1,0,0|2,0,0]=4 781 B7R1.4 O[C@@H]1CNC[C@H]1O Z2309778206 [0,1,0,1,0,0|2,0,0]=4 782 B7R1.4 O[C@H]1CNC[C@H]1O Z1318268689 [0,1,0,1,0,0|2,0,0]=4 783 B7R1.5 CC1CC1CCN Z4888675966 [0,1,0,1,0,0|1,0,0]=3 784 B7R1.5 CCC[C@@H]1C[C@H]1N Z2298098035 [0,1,0,1,0,0|1,0,0]=3 785 B7R1.5 CNCC1CC1C Z3752925195 [0,1,0,1,0,0|1,0,0]=3 786 B7R1.6 CCCC1CNC1 Z2310679174 [0,1,0,1,0,0|1,0,0]=3 787 B7R1.6 CCNC1CCC1 Z2144245483 [0,1,0,1,0,0|2,0,0]=4 788 B7R1.6 CNCC1CCC1 Z1692482598 [0,1,0,1,0,0|2,0,0]=4 789 B7R1.6 COCC1CCN1 Z2213893372 [0,1,0,1,0,0|2,0,0]=4 790 B7R1.6 N#CCC1CCC1 Z1198184443 [0,1,0,1,0,0|1,0,1]=4 791 B7R1.6 N#CCC1CNC1 Z2512942957 [0,1,0,1,0,0|1,0,1]=4 792 B7R1.6 NCCC1CCC1 Z1405445718 [0,1,0,1,0,0|1,0,0]=3 793 B7R1.6 NCCN1CCC1 Z1203582961 [0,1,0,1,0,0|2,0,0]=4 794 B7R1.6 O=CCC1CCC1 Z1198184444 [0,1,0,1,0,0|0,0,2]=4 795 B7R1.6 O=CCC1COC1 Z1511884358 [0,1,0,1,0,0|0,0,2]=4 796 B7R1.9 CCC1CC1C=O Z1513989944 [0,1,0,1,0,0|0,0,2]=4 797 B7R1.9 CC[C@@H]1C[C@H]1C=O Z3300760890 [0,1,0,1,0,0|0,0,2]=4 798 B7R1.9 CC[C@@H]1C[C@H]1CN Z2235810238 [0,1,0,1,0,0|1,0,0]=3 799 B7R1.9 ClC[C@H]1O[C@H]1CCl Z1205660922 [0,1,0,1,0,0|2,0,0]=4 800 B7R1.10 C#CC1CC(C1)N Z3194913768 [0,1,0,1,0,0|1,0,1]=4 801 B7R1.10 C#C[C@H]1C[C@H](C1)N Z4052534980 [0,1,0,1,0,0|1,0,1]=4 802 B7R1.10 C=C1CC(C1)CN Z3018667936 [0,1,0,1,0,0|1,0,1]=4 803 B7R1.10 C=C1CC(C1)NC Z3417039111 [0,1,0,1,0,0|1,0,1]=4 804 B7R1.10 C=CC1CC(C1)N Z4052438501 [0,1,0,1,0,0|1,0,1]=4 805 B7R1.10 CCC1CC(C1)N Z4130021870 [0,1,0,1,0,0|1,0,0]=3 806 B7R1.10 CNC1CC(C1)O Z1318186466 [0,1,0,1,0,0|0,0,0]=2 807 B7R1.10 CSC1CC(C1)N Z2724378300 [0,1,0,1,0,0|1,0,0]=3 808 B7R1.10 CS[C@H]1C[C@H](C1)N Z5055881160 [0,1,0,1,0,0|1,0,0]=3 809 B7R1.10 N#CC1CC(C1)N Z1813175336 [0,1,0,1,0,0|1,0,1]=4 810 B7R1.10 NC[C@H]1C[C@@H](C1)O Z2755724217 [0,1,0,1,0,0|0,0,0]=2 811 B7R1.10 N[C@H]1C[C@H](C1)CO Z1203585248 [0,1,0,1,0,0|1,0,0]=3 812 B7R1.11 CC1C(C1C=O)Cl Z1262487267 [0,1,0,1,0,0|0,0,2]=4 813 B7R1.11 C[C@H]1C([C@@H]1C)C=O Z3081818776 [0,1,0,1,0,0|0,0,2]=4 814 B7R1.11 C[C@H]1C([C@@H]1C)CN Z4165830246 [0,1,0,1,0,0|1,0,0]=3 815 B7R1.21 CC1(CC1)CC=O Z3247248393 [0,1,0,1,0,0|0,0,2]=4 816 B7R1.21 CC1(CC1)CCO Z1813155991 [0,1,0,1,0,0|0,0,0]=2 817 B7R1.21 CC1(CO1)CCO Z1486026620 [0,1,0,1,0,0|0,0,0]=2 818 B7R1.21 CCCC1(CC1)N Z3072982019 [0,1,0,1,0,0|1,0,0]=3 819 B7R1.21 CCCC1(CO1)C Z1020679916 [0,1,0,1,0,0|1,0,0]=3 820 B7R1.21 CNCC1(CC1)F Z3243520361 [0,1,0,1,0,0|2,0,0]=4 821 B7R1.21 CNCC1(CC1)N Z5185499776 [0,1,0,1,0,0|2,0,0]=4 822 B7R1.21 COCC1(CC1)N Z2301519229 [0,1,0,1,0,0|2,0,0]=4 823 B7R1.21 COCC1(CO1)C Z1020679792 [0,1,0,1,0,0|2,0,0]=4 824 B7R1.21 NC1(CC1)CCO Z2211231673 [0,1,0,1,0,0|0,0,0]=2 825 B7R1.22 C#CC(N)C1CC1 Z3335415540 [0,1,0,1,0,0|1,0,1]=4 826 B7R1.22 C=CC(N)C1CC1 Z3444558430 [0,1,0,1,0,0|1,0,1]=4 827 B7R1.22 CC(C#N)C1CC1 Z415654714 [0,1,0,1,0,0|1,0,1]=4 828 B7R1.22 CC(C=O)C1CC1 Z1263529480 [0,1,0,1,0,0|0,0,2]=4 829 B7R1.22 CC(CN)C1CC1 Z1259341042 [0,1,0,1,0,0|1,0,0]=3 830 B7R1.22 CNC(C)C1CC1 Z270730248 [0,1,0,1,0,0|1,0,0]=3 831 B7R1.22 ClCC(Cl)C1CO1 Z1205657751 [0,1,0,1,0,0|1,0,0]=3 832 B7R1.22 N#CC(N)C1CC1 Z1266854880 [0,1,0,1,0,0|1,0,1]=4 833 B7R1.22 N/C(=N\O)/C1CC1 Z335452744 [0,1,0,1,0,0|1,0,1]=4 834 B7R1.22 NC(CO)C1CC1 Z1362754532 [0,1,0,1,0,0|0,0,0]=2 835 B7R1.22 NCC(N)C1CC1 Z445154916 [0,1,0,1,0,0|1,0,0]=3 836 B7R1.22 NCC(O)C1CC1 Z802856322 [0,1,0,1,0,0|1,0,0]=3 837 B7R1.22 O=C(CCl)C1CC1 Z1205657701 [0,1,0,1,0,0|1,0,1]=4 838 B7R1.22 O=C(CO)C1CC1 Z1172087188 [0,1,0,1,0,0|0,0,1]=3 839 B7R1.22 O=C(NO)C1CC1 Z59183989 [0,1,0,1,0,0|1,0,1]=4 840 B7R1.25 CC1(CCC1)C#N Z1255381956 [0,1,0,1,0,0|1,0,1]=4 841 B7R1.25 CC1(CCC1)C=O Z1198728427 [0,1,0,1,0,0|1,0,1]=4 842 B7R1.25 CC1(CCC1)CN Z1357823912 [0,1,0,1,0,0|1,0,0]=3 843 B7R1.25 CCC1(CCC1)N Z1333043532 [0,1,0,1,0,0|2,0,0]=4 844 B7R1.25 CNC1(CCC1)C Z1255443634 [0,1,0,1,0,0|1,0,0]=3 845 B7R1.25 COC1(CNC1)C Z1198311233 [0,1,0,1,0,0|2,0,0]=4 846 B7R1.25 NC1(CCC1)CO Z1203581511 [0,1,0,1,0,0|2,0,0]=4 847 B7R1.25 NCC1(CCC1)Cl Z4313035783 [0,1,0,1,0,0|2,0,0]=4 848 B7R1.25 NCC1(CCC1)F Z1862011799 [0,1,0,1,0,0|2,0,0]=4 849 B7R1.25 NCC1(CCC1)O Z419084774 [0,1,0,1,0,0|2,0,0]=4 850 B7R1.25 OCC1(CCC1)O Z1537124745 [0,1,0,1,0,0|2,0,0]=4 851 B7R1.27 CC1CC1(C)C=O Z1513984691 [0,1,0,1,0,0|0,0,2]=4 852 B7R1.12 CC(=O)C1CC1C Z1259336498 [0,1,0,1,0,0|0,0,2]=4 853 B7R1.12 CC(C)[C@@H]1C[C@H]1N Z2285053182 [0,1,0,1,0,0|1,0,0]=3 854 B7R1.12 CC1CC1C(=O)N Z33546780 [0,1,0,1,0,0|0,0,2]=4 855 B7R1.12 C[C@@H]1C[C@H]1C(=O)O Z1205493848 [0,1,0,1,0,0|0,0,1]=3 856 B7R1.12 C[C@H]1C[C@@H]1C(=O)O Z1205494110 [0,1,0,1,0,0|0,0,1]=3 857 B7R1.16 C=C1CC(C1)(C)N Z5611324020 [0,1,0,1,0,0|1,0,1]=4 858 B7R1.16 CC1(CC(=O)C1)C Z1386602397 [0,1,0,1,0,0|0,0,2]=4 859 B7R1.16 CC1(CC(=O)N1)C Z1238800208 [0,1,0,1,0,0|0,0,2]=4 860 B7R1.16 CC1(CC(C1)O)N Z1618150088 [0,1,0,1,0,0|0,0,0]=2 861 B7R1.16 CC1CC(C1)(C)N Z3034505681 [0,1,0,1,0,0|1,0,0]=3 862 B7R1.16 CC1CC(N1)(C)C Z803145478 [0,1,0,1,0,0|1,0,0]=3 863 B7R1.16 CN1CC(C1)(C)N Z1945700468 [0,1,0,1,0,0|2,0,0]=4 864 B7R1.16 C[C@@]1(C[C@@H](C1)N)F Z2740389572 [0,1,0,1,0,0|1,0,0]=3 865 B7R1.16 NC1CC(C1)(Cl)Cl Z2866952668 [0,1,0,1,0,0|2,0,0]=4 866 B7R1.16 NC1CC(C1)(F)F Z1346385682 [0,1,0,1,0,0|2,0,0]=4 867 B7R1.20 CC(=O)CC1CC1 Z1198160502 [0,1,0,1,0,0|0,0,2]=4 868 B7R1.20 CC(C)CC1CO1 Z1020679872 [0,1,0,1,0,0|0,0,0]=2 869 B7R1.20 NC(=O)CC1CC1 Z365255854 [0,1,0,1,0,0|0,0,2]=4 870 B7R1.20 O=C(O)CC1CC1 Z234893653 [0,1,0,1,0,0|0,0,1]=3 871 B7R1.32 CC1(CC1(C)N)C Z2528325599 [0,1,0,1,0,0|1,0,0]=3 872 B7R1.32 CC1(CC1(F)F)N Z1201624184 [0,1,0,1,0,0|2,0,0]=4 873 B7R1.17 CC1(CCC1=O)C Z1416192672 [0,1,0,1,0,0|0,0,1]=3 874 B7R1.17 CC1(CCC1N)C Z1813195196 [0,1,0,1,0,0|1,0,0]=3 875 B7R1.17 CC1(CNC1=O)C Z425427928 [0,1,0,1,0,0|0,0,2]=4 876 B7R1.18 CC(O)C1CCC1 Z1198149695 [0,1,0,1,0,0|2,0,0]=4 877 B7R1.18 CN(C)C1CNC1 Z1741979349 [0,1,0,1,0,0|2,0,0]=4 878 B7R1.19 CC(=O)C1(CO1)C Z1201620091 [0,1,0,1,0,0|1,0,1]=4 879 B7R1.19 CC(C)C1(CC1)N Z2216303073 [0,1,0,1,0,0|1,0,0]=3 880 B7R1.19 CC(C)C1(CO1)C Z1020679970 [0,1,0,1,0,0|0,0,0]=2 881 B7R1.19 CC(N)C1(CC1)F Z1510158579 [0,1,0,1,0,0|2,0,0]=4 882 B7R1.23 CC1(CC1C#N)C Z756145422 [0,1,0,1,0,0|1,0,0]=3 883 B7R1.23 CC1(CC1C=O)Br Z1513978436 [0,1,0,1,0,0|0,0,2]=4 884 B7R1.23 CC1(CC1C=O)C Z1511745659 [0,1,0,1,0,0|0,0,1]=3 885 B7R1.23 CC1(CC1CN)C Z1267773739 [0,1,0,1,0,0|1,0,0]=3 886 B7R1.23 CC1(CC1CO)C Z1198310193 [0,1,0,1,0,0|0,0,0]=2 887 B7R1.23 CC1(C[C@@H]1C=O)C Z1511802856 [0,1,0,1,0,0|0,0,1]=3 888 B7R1.23 CC1(OC1C#N)C Z1198150592 [0,1,0,1,0,0|1,0,1]=4 889 B7R1.23 CC1(OC1C=O)C Z1511743636 [0,1,0,1,0,0|0,0,2]=4 890 B7R1.23 CC1(OC1CCl)C Z1205657657 [0,1,0,1,0,0|1,0,0]=3 891 B7R1.23 CC1(OC1CO)C Z1486035926 [0,1,0,1,0,0|0,0,0]=2 892 B7R1.23 CC1(O[C@@H]1CO)C Z1896550092 [0,1,0,1,0,0|0,0,0]=2 893 B7R1.23 CC1(O[C@H]1CO)C Z1896541488 [0,1,0,1,0,0|0,0,0]=2 894 B7R1.23 CNC1CC1(C)C Z1895742049 [0,1,0,1,0,0|1,0,0]=3 895 B7R1.23 NCC1CC1(Br)Br Z4444281855 [0,1,0,1,0,0|2,0,0]=4 896 B7R1.7 C#CCNC1CC1 Z138414626 [0,1,0,1,0,0|1,0,1]=4 897 B7R1.7 C=CCCC1CO1 Z1255485443 [0,1,0,1,0,0|2,0,0]=4 898 B7R1.7 C=CCNC1CC1 Z2142036642 [0,1,0,1,0,0|1,0,1]=4 899 B7R1.7 CCCCC1CO1 Z1020679810 [0,1,0,1,0,0|2,0,0]=4 900 B7R1.7 CCNCC1CC1 Z1692483163 [0,1,0,1,0,0|1,0,0]=3 901 B7R1.7 CCOCC1CO1 Z271128258 [0,1,0,1,0,0|2,0,0]=4 902 B7R1.7 CNCCC1CC1 Z1480642691 [0,1,0,1,0,0|1,0,0]=3 903 B7R1.7 COCCC1CO1 Z1495386141 [0,1,0,1,0,0|1,0,0]=3 904 B7R1.7 FCCNC1CC1 Z5629279666 [0,1,0,1,0,0|1,0,0]=3 905 B7R1.7 N#CCNC1CC1 Z235643824 [0,1,0,1,0,0|1,0,1]=4 906 B7R1.7 NCC#CC1CC1 Z3016946155 [0,1,0,1,0,0|1,0,1]=4 907 B7R1.7 NCCCC1CC1 Z2465611603 [0,1,0,1,0,0|1,0,0]=3 908 B7R1.7 NCCNC1CC1 Z756920128 [0,1,0,1,0,0|1,0,0]=3 909 B7R1.7 NCCOC1CC1 Z2786559006 [0,1,0,1,0,0|1,0,0]=3 910 B7R1.7 O=C=NCC1CC1 Z826525040 [0,1,0,1,0,0|0,0,2]=4 911 B7R1.7 O=CCCC1CC1 Z1233208002 [0,1,0,1,0,0|0,0,1]=3 912 B7R1.7 OCCNC1CC1 Z285050134 [0,1,0,1,0,0|0,0,0]=2 913 B7R1.14 CC1(C=CCN1)C Z3477416732 [0,1,0,1,0,0|1,0,1]=4 914 B7R1.14 CC1(CC=CC1)N Z2470136742 [0,1,0,1,0,0|1,0,1]=4 915 B7R1.14 CC1(CCCC1)O Z449370856 [0,1,0,1,0,0|1,0,0]=3 916 B7R1.14 CC1(CCCN1)C Z1259335892 [0,1,0,1,0,0|1,0,0]=3 917 B7R1.14 CC1(CCNC1)C Z1270207926 [0,1,0,1,0,0|1,0,0]=3 918 B7R1.14 CC1(CCNC1)O Z1139194384 [0,1,0,1,0,0|1,0,0]=3 919 B7R1.14 CC1(CCOC1)N Z1895741238 [0,1,0,1,0,0|0,0,0]=2 920 B7R1.14 CC1(CCSC1)N Z4990294346 [0,1,0,1,0,0|0,1,0]=3 921 B7R1.14 CC1(CCSC1)O Z1359841674 [0,1,0,1,0,0|0,1,0]=3 922 B7R1.14 CC1(CNOC1)O Z3035808330 [0,1,0,1,0,0|1,0,0]=3 923 B7R1.26 CC(C)(C)C1CO1 Z278165182 [0,1,0,1,0,0|0,0,0]=2 924 B7R1.26 CC(C)(C)[C@@H]1CO1 Z1575341657 [0,1,0,1,0,0|0,0,0]=2 925 B7R1.26 CC(C)(O)C1CC1 Z449374598 [0,1,0,1,0,0|1,0,0]=3 926 B7R1.26 CC(C)(O)C1CO1 Z1504677029 [0,1,0,1,0,0|0,0,0]=2 927 B7R1.26 ClC(Cl)(Cl)C1CO1 Z1198149424 [0,1,0,1,0,0|2,0,0]=4 928 B7R2.11 C1NC2CC1C2 Z3074473459 [0,0,0,2,0,0|1,0,0]=3 929 B7R2.13 C1CC2CC2N1 Z1964347529 [0,0,0,2,0,0|1,0,0]=3 930 B7R2.13 C1CC2OC2C1 Z255149904 [0,0,0,2,0,0|2,0,0]=4 931 B7R2.13 C1NCC2C1C2 Z1270630267 [0,0,0,2,0,0|1,0,0]=3 932 B7R2.1 C1CC1C2CO2 Z1020679808 [0,0,0,2,0,0|0,0,0]=2 933 B7R2.3 NC1CC12CC2 Z2379087701 [0,0,0,2,0,0|1,0,0]=3 934 B7R2.16 C1CC2(C1)CO2 Z1198320605 [0,0,0,2,0,0|2,0,0]=4