0 B4R0.2 C#CCCN Z1267881669 [0,0,0,0,0,0|2,0,1]=3 1 B4R0.2 C=NCC#N Z425450894 [0,0,0,0,0,0|2,0,2]=4 2 B4R0.2 CC#CCN Z1713595498 [0,0,0,0,0,0|2,0,1]=3 3 B4R0.2 CCCC#N Z238878246 [0,0,0,0,0,0|2,0,1]=3 4 B4R0.2 CCCCN Z104474314 [0,0,0,0,0,0|2,0,0]=2 5 B4R0.2 CCCCO Z104473488 [0,0,0,0,0,0|1,0,0]=1 6 B4R0.2 CCCNN Z415728048 [0,0,0,0,0,0|3,0,0]=3 7 B4R0.2 CNCC#N Z1262250834 [0,0,0,0,0,0|2,0,1]=3 8 B4R0.2 COCC#N Z86023357 [0,0,0,0,0,0|1,0,1]=2 9 B4R0.2 COCCO Z104473522 [0,0,0,0,0,0|0,0,0]=0 10 B4R0.2 CSCCO Z149154880 [0,0,0,0,0,0|0,1,0]=1 11 B4R0.2 N#CCC#N Z104474890 [0,0,0,0,0,0|3,0,1]=4 12 B4R0.2 N#CCCN Z1895741700 [0,0,0,0,0,0|3,0,0]=3 13 B4R0.2 NC/C=C/Cl Z2941400887 [0,0,0,0,0,0|3,0,1]=4 14 B4R0.2 NCC#CBr Z4442967693 [0,0,0,0,0,0|3,0,1]=4 15 B4R0.2 NCCCN Z104478068 [0,0,0,0,0,0|3,0,0]=3 16 B4R0.2 NCCCO Z56771034 [0,0,0,0,0,0|2,0,0]=2 17 B3R0.1 C=CCO Z104473976 [1,0,0,0,0,0|0,0,2]=3 18 B3R0.1 N#CCN Z1210869368 [1,0,0,0,0,0|2,0,1]=4 19 B3R0.1 N/C=N/O Z156964716 [1,0,0,0,0,0|2,0,1]=4 20 B3R0.1 NCCF Z1966571823 [1,0,0,0,0,0|2,0,0]=3 21 B3R0.1 NCCN Z104473714 [1,0,0,0,0,0|2,0,0]=3 22 B3R0.1 NCCO Z104473700 [1,0,0,0,0,0|1,0,0]=2 23 B3R0.1 NCCS Z104474494 [1,0,0,0,0,0|1,1,0]=3 24 B3R0.1 OCCS Z104473584 [1,0,0,0,0,0|0,1,0]=2 25 B5R0.1 C#CCC(=O)O Z295890060 [0,1,0,0,0,0|1,0,2]=4 26 B5R0.1 C#CCC(C)N Z3490223481 [0,1,0,0,0,0|2,0,1]=4 27 B5R0.1 C#CCC(C)O Z969111576 [0,1,0,0,0,0|1,0,1]=3 28 B5R0.1 C/C=C/C(=O)O Z104476026 [0,1,0,0,0,0|1,0,2]=4 29 B5R0.1 C=C(C)CCN Z1203582475 [0,1,0,0,0,0|2,0,0]=3 30 B5R0.1 C=CCC(C)N Z1269638561 [0,1,0,0,0,0|2,0,1]=4 31 B5R0.1 CC(=CCN)C Z1827897919 [0,1,0,0,0,0|2,0,1]=4 32 B5R0.1 CC(=O)CCO Z906206900 [0,1,0,0,0,0|1,0,0]=2 33 B5R0.1 CC(C)CC#N Z104473272 [0,1,0,0,0,0|2,0,1]=4 34 B5R0.1 CC(C)CCO Z104473558 [0,1,0,0,0,0|1,0,0]=2 35 B5R0.1 CC(N)CC#N Z1267773800 [0,1,0,0,0,0|2,0,1]=4 36 B5R0.1 CC(N)CCO Z385458430 [0,1,0,0,0,0|1,0,0]=2 37 B5R0.1 CC(O)CC#N Z847151284 [0,1,0,0,0,0|2,0,0]=3 38 B5R0.1 CC(O)CCN Z802904114 [0,1,0,0,0,0|2,0,0]=3 39 B5R0.1 CC(O)CCO Z104473530 [0,1,0,0,0,0|1,0,0]=2 40 B5R0.1 CCCC(=N)N Z1198394172 [0,1,0,0,0,0|2,0,1]=4 41 B5R0.1 CCCC(=O)N Z33546461 [0,1,0,0,0,0|1,0,2]=4 42 B5R0.1 CCCC(=O)O Z104495380 [0,1,0,0,0,0|1,0,1]=3 43 B5R0.1 CCCC(C)N Z2417819590 [0,1,0,0,0,0|2,0,0]=3 44 B5R0.1 CN(C)CCF Z5487577684 [0,1,0,0,0,0|2,0,0]=3 45 B5R0.1 CN(C)CCO Z104473552 [0,1,0,0,0,0|1,0,0]=2 46 B5R0.1 CN(C)CCS Z362025514 [0,1,0,0,0,0|1,1,0]=3 47 B5R0.1 CNCC(=O)N Z415678308 [0,1,0,0,0,0|1,0,2]=4 48 B5R0.1 CNCC(=O)O Z104480276 [0,1,0,0,0,0|1,0,1]=3 49 B5R0.1 CNCC(C)C Z951367674 [0,1,0,0,0,0|2,0,0]=3 50 B5R0.1 CNCC(C)N Z1413780485 [0,1,0,0,0,0|2,0,0]=3 51 B5R0.1 CNCC(C)O Z138692700 [0,1,0,0,0,0|1,0,0]=2 52 B5R0.1 CNCC(F)F Z1259341074 [0,1,0,0,0,0|2,0,0]=3 53 B5R0.1 COCC(=N)N Z1258620054 [0,1,0,0,0,0|1,0,1]=3 54 B5R0.1 COCC(=O)N Z33546778 [0,1,0,0,0,0|0,0,2]=3 55 B5R0.1 COCC(=O)O Z104477404 [0,1,0,0,0,0|0,0,1]=2 56 B5R0.1 COCC(C)O Z825742124 [0,1,0,0,0,0|0,0,0]=1 57 B5R0.1 COC[C@@H](C)N Z1270482298 [0,1,0,0,0,0|1,0,0]=2 58 B5R0.1 COC[C@H](C)N Z1270502316 [0,1,0,0,0,0|1,0,0]=2 59 B5R0.1 CS(=O)CC#N Z1198176972 [0,1,0,0,0,0|1,1,1]=4 60 B5R0.1 CS(=O)CCN Z802568576 [0,1,0,0,0,0|1,1,0]=3 61 B5R0.1 CSCC(=N)N Z1459934800 [0,1,0,0,0,0|1,1,1]=4 62 B5R0.1 CSCC(=O)N Z33545668 [0,1,0,0,0,0|0,1,2]=4 63 B5R0.1 CSCC(C)O Z732208306 [0,1,0,0,0,0|0,1,0]=2 64 B5R0.1 CSCS(=O)C Z1255438413 [0,1,0,0,0,0|1,1,1]=4 65 B5R0.1 C[C@@H](N)CCO Z1526453858 [0,1,0,0,0,0|1,0,0]=2 66 B5R0.1 C[C@@H](O)CCN Z1860991703 [0,1,0,0,0,0|2,0,0]=3 67 B5R0.1 N#CCC(=O)O Z104476112 [0,1,0,0,0,0|2,0,1]=4 68 B5R0.1 N=C(N)CCO Z1198394167 [0,1,0,0,0,0|2,0,0]=3 69 B5R0.1 NC(=O)CCO Z431951940 [0,1,0,0,0,0|2,0,0]=3 70 B5R0.1 NCCC(=O)N Z415728050 [0,1,0,0,0,0|3,0,0]=4 71 B5R0.1 NCCC(=O)O Z57127544 [0,1,0,0,0,0|2,0,1]=4 72 B5R0.1 NOCC(=O)O Z90662171 [0,1,0,0,0,0|1,0,1]=3 73 B5R0.1 O=C(O)CCCl Z203045320 [0,1,0,0,0,0|2,0,1]=4 74 B5R0.1 O=C(O)CCS Z104474322 [0,1,0,0,0,0|2,0,1]=4 75 B5R0.1 O=C(O)CNO Z1205493750 [0,1,0,0,0,0|2,0,1]=4 76 B5R0.2 C#CCCC#N Z295890044 [0,1,0,0,0,0|2,0,1]=4 77 B5R0.2 C#CCCCN Z1945700461 [0,1,0,0,0,0|2,0,1]=4 78 B5R0.2 C#CCCNC Z3270794267 [0,1,0,0,0,0|2,0,0]=3 79 B5R0.2 C#CCNCC Z815264056 [0,1,0,0,0,0|2,0,1]=4 80 B5R0.2 C/C=C/CCN Z1268152372 [0,1,0,0,0,0|2,0,0]=3 81 B5R0.2 C/C=C/OCC Z281777810 [0,1,0,0,0,0|1,0,2]=4 82 B5R0.2 C=CCCC#N Z1219746591 [0,1,0,0,0,0|2,0,1]=4 83 B5R0.2 C=CCCCN Z993058434 [0,1,0,0,0,0|2,0,1]=4 84 B5R0.2 C=CCNCC Z2044769224 [0,1,0,0,0,0|2,0,1]=4 85 B5R0.2 CC#CCCO Z1033337288 [0,1,0,0,0,0|1,0,0]=2 86 B5R0.2 CC#CCNC Z2679312432 [0,1,0,0,0,0|2,0,1]=4 87 B5R0.2 CCC#CCN Z4935566672 [0,1,0,0,0,0|2,0,1]=4 88 B5R0.2 CCCCC=O Z104472992 [0,1,0,0,0,0|1,0,1]=3 89 B5R0.2 CCCCCN Z104472246 [0,1,0,0,0,0|2,0,0]=3 90 B5R0.2 CCCNCC Z138446288 [0,1,0,0,0,0|2,0,0]=3 91 B5R0.2 CCNCC#N Z235583784 [0,1,0,0,0,0|2,0,1]=4 92 B5R0.2 CCNCCF Z1198305484 [0,1,0,0,0,0|2,0,0]=3 93 B5R0.2 CCNCCO Z1258992395 [0,1,0,0,0,0|1,0,0]=2 94 B5R0.2 CCNOCC Z223690220 [0,1,0,0,0,0|2,0,0]=3 95 B5R0.2 CCOCC#N Z295205412 [0,1,0,0,0,0|1,0,1]=3 96 B5R0.2 CCOCCN Z271005962 [0,1,0,0,0,0|1,0,0]=2 97 B5R0.2 CCOCCO Z104473122 [0,1,0,0,0,0|0,0,0]=1 98 B5R0.2 CCSCCN Z3061111063 [0,1,0,0,0,0|1,1,0]=3 99 B5R0.2 CNCCCO Z104756980 [0,1,0,0,0,0|1,0,0]=2 100 B5R0.2 CNCCOC Z1259162131 [0,1,0,0,0,0|1,0,0]=2 101 B5R0.2 CNCCSC Z1398461959 [0,1,0,0,0,0|1,1,0]=3 102 B5R0.2 COCCC#N Z277467992 [0,1,0,0,0,0|1,0,0]=2 103 B5R0.2 COCCCO Z431517702 [0,1,0,0,0,0|0,0,0]=1 104 B5R0.2 COCCOC Z104473014 [0,1,0,0,0,0|0,0,0]=1 105 B5R0.2 N#CCCCN Z1649677743 [0,1,0,0,0,0|2,0,1]=4 106 B5R0.2 N#CCCCO Z385458622 [0,1,0,0,0,0|1,0,1]=3 107 B5R0.2 NC/C=C/CN Z2235386837 [0,1,0,0,0,0|2,0,1]=4 108 B5R0.2 NCCC#CBr Z4777809731 [0,1,0,0,0,0|2,0,1]=4 109 B5R0.2 NCCCCF Z2177031126 [0,1,0,0,0,0|2,0,0]=3 110 B5R0.2 NCCCCN Z104472592 [0,1,0,0,0,0|2,0,0]=3 111 B5R0.2 OC/C=C/CO Z237581088 [0,1,0,0,0,0|1,0,1]=3 112 B5R0.3 C#CC(N)CO Z2235790715 [0,1,0,0,0,0|1,0,1]=3 113 B5R0.3 C=C(CC)CN Z2238934536 [0,1,0,0,0,0|2,0,1]=4 114 B5R0.3 C=CC(N)CO Z2146514374 [0,1,0,0,0,0|1,0,1]=3 115 B5R0.3 CC(C#N)CO Z406338220 [0,1,0,0,0,0|2,0,0]=3 116 B5R0.3 CC(CN)CN Z951173758 [0,1,0,0,0,0|3,0,0]=4 117 B5R0.3 CC(CN)CO Z406342068 [0,1,0,0,0,0|2,0,0]=3 118 B5R0.3 CC(CO)CS Z1262475362 [0,1,0,0,0,0|2,0,0]=3 119 B5R0.3 CC/C(=N/O)/N Z241067842 [0,1,0,0,0,0|2,0,1]=4 120 B5R0.3 CCC(=O)CC Z104476878 [0,1,0,0,0,0|2,0,1]=4 121 B5R0.3 CCC(=O)CN Z1203579016 [0,1,0,0,0,0|2,0,1]=4 122 B5R0.3 CCC(C)CN Z2350903977 [0,1,0,0,0,0|2,0,0]=3 123 B5R0.3 CCC(C)NC Z594038230 [0,1,0,0,0,0|2,0,0]=3 124 B5R0.3 CCC(N)C#N Z445129502 [0,1,0,0,0,0|2,0,1]=4 125 B5R0.3 CCC(N)CN Z1263714131 [0,1,0,0,0,0|2,0,0]=3 126 B5R0.3 CCC(N)CO Z104474862 [0,1,0,0,0,0|1,0,0]=2 127 B5R0.3 CCC(O)C#N Z419078094 [0,1,0,0,0,0|2,0,1]=4 128 B5R0.3 CCC(O)CN Z419084746 [0,1,0,0,0,0|2,0,0]=3 129 B5R0.3 CCC(O)CO Z600450538 [0,1,0,0,0,0|1,0,0]=2 130 B5R0.3 CC[C@@H](N)C#N Z1203638467 [0,1,0,0,0,0|2,0,1]=4 131 B5R0.3 CC[C@@H](N)CO Z1203162359 [0,1,0,0,0,0|1,0,0]=2 132 B5R0.3 CC[C@H](N)CO Z1203162358 [0,1,0,0,0,0|1,0,0]=2 133 B5R0.3 CNC(=O)CCl Z56891219 [0,1,0,0,0,0|2,0,1]=4 134 B5R0.3 CNC(=O)CN Z57981102 [0,1,0,0,0,0|2,0,1]=4 135 B5R0.3 CNC(=O)CO Z431952700 [0,1,0,0,0,0|1,0,1]=3 136 B5R0.3 CNC(=O)CS Z1203730878 [0,1,0,0,0,0|1,1,1]=4 137 B5R0.3 CNC(C)CN Z941154208 [0,1,0,0,0,0|2,0,0]=3 138 B5R0.3 COC(=O)CN Z57042020 [0,1,0,0,0,0|1,0,1]=3 139 B5R0.3 COC(C)CN Z1795817756 [0,1,0,0,0,0|1,0,0]=2 140 B5R0.3 COC(C)CO Z1198150719 [0,1,0,0,0,0|0,0,0]=1 141 B5R0.3 CSC(C)CN Z844632970 [0,1,0,0,0,0|1,1,0]=3 142 B5R0.3 CSC(C)CO Z1273053291 [0,1,0,0,0,0|0,1,0]=2 143 B5R0.3 N#CC(N)CO Z2301438409 [0,1,0,0,0,0|2,0,0]=3 144 B5R0.3 NC(CO)CO Z1203577940 [0,1,0,0,0,0|2,0,0]=3 145 B5R0.3 NCC(F)CN Z2733320873 [0,1,0,0,0,0|3,0,0]=4 146 B5R0.3 NCC(N)CN Z1203578196 [0,1,0,0,0,0|3,0,0]=4 147 B5R0.3 NCC(O)CF Z2311274712 [0,1,0,0,0,0|3,0,0]=4 148 B5R0.3 O=C(CO)CO Z1255442144 [0,1,0,0,0,0|2,0,1]=4 149 B5R0.3 OC/C(=C/I)/I Z4691071538 [0,1,0,0,0,0|2,0,1]=4 150 B5R0.3 OCC(O)CO Z104473548 [0,1,0,0,0,0|2,0,0]=3 151 B5R0.3 OCC(O)CS Z1255382958 [0,1,0,0,0,0|2,0,0]=3 152 B5R1.1 C1=CCNC1 Z2306624771 [0,0,0,1,0,0|2,0,1]=4 153 B5R1.2 NC1CCC1 Z1266823158 [0,0,0,1,0,0|2,0,0]=3 154 B5R1.2 NC1COC1 Z317054188 [0,0,0,1,0,0|1,0,0]=2 155 B5R1.2 O=C1CCO1 Z1089877620 [0,0,0,1,0,0|2,0,0]=3 156 B5R1.2 OC1CNC1 Z1012638850 [0,0,0,1,0,0|1,0,0]=2 157 B5R1.2 OC1COC1 Z1123686553 [0,0,0,1,0,0|0,0,0]=1 158 B5R1.3 CNC1CC1 Z138412880 [0,0,0,1,0,0|2,0,0]=3 159 B5R1.3 ClCC1CO1 Z104473190 [0,0,0,1,0,0|1,0,0]=2 160 B5R1.3 N#CC1CC1 Z247612572 [0,0,0,1,0,0|2,0,1]=4 161 B5R1.3 OCC1CC1 Z104479000 [0,0,0,1,0,0|1,0,0]=2 162 B5R1.3 OCC1CO1 Z104476180 [0,0,0,1,0,0|0,0,0]=1 163 B5R1.3 OC[C@@H]1CO1 Z1222330631 [0,0,0,1,0,0|0,0,0]=1 164 B5R1.3 OC[C@H]1CO1 Z1222330633 [0,0,0,1,0,0|0,0,0]=1 165 B5R1.4 CC1CC1N Z406520774 [0,0,0,1,0,0|2,0,0]=3 166 B5R1.4 C[C@@H]1C[C@H]1N Z993905302 [0,0,0,1,0,0|2,0,0]=3 167 B2R0.1 CNC Z57834054 [2,0,0,0,0,0|1,0,0]=3 168 B4R0.1 C#CC(C)O Z1251193370 [1,1,0,0,0,0|0,0,2]=4 169 B4R0.1 C=C(Br)CO Z600440434 [1,1,0,0,0,0|0,0,2]=4 170 B4R0.1 C=CC(C)N Z1446855743 [1,1,0,0,0,0|1,0,1]=4 171 B4R0.1 CC(=O)CN Z1262398366 [1,1,0,0,0,0|1,0,1]=4 172 B4R0.1 CC(=O)NO Z59181917 [1,1,0,0,0,0|1,0,1]=4 173 B4R0.1 CC(C)NO Z1198161074 [1,1,0,0,0,0|1,0,0]=3 174 B4R0.1 CC(F)CN Z2941405027 [1,1,0,0,0,0|1,0,0]=3 175 B4R0.1 CC(N)CF Z2096088772 [1,1,0,0,0,0|1,0,0]=3 176 B4R0.1 CC(N)CN Z104474490 [1,1,0,0,0,0|1,0,0]=3 177 B4R0.1 CC(O)CN Z104477092 [1,1,0,0,0,0|1,0,0]=3 178 B4R0.1 CC(O)CO Z106938868 [1,1,0,0,0,0|0,0,0]=2 179 B4R0.1 CCC(=N)N Z1741969146 [1,1,0,0,0,0|1,0,1]=4 180 B4R0.1 CCC(=O)N Z33546482 [1,1,0,0,0,0|0,0,2]=4 181 B4R0.1 CCC(=O)O Z104474154 [1,1,0,0,0,0|0,0,1]=3 182 B4R0.1 CCC(=S)N Z241091446 [1,1,0,0,0,0|0,1,1]=4 183 B4R0.1 CCC(C)N Z104472234 [1,1,0,0,0,0|1,0,0]=3 184 B4R0.1 CC[C@@H](C)O Z1203162396 [1,1,0,0,0,0|0,0,0]=2 185 B4R0.1 CNC(=N)C Z2146515751 [1,1,0,0,0,0|1,0,1]=4 186 B4R0.1 CNC(=O)C Z32016274 [1,1,0,0,0,0|1,0,1]=4 187 B4R0.1 COC(=N)N Z1741976783 [1,1,0,0,0,0|1,0,1]=4 188 B4R0.1 COC(=O)N Z104476722 [1,1,0,0,0,0|0,0,2]=4 189 B4R0.1 C[C@@H](N)CN Z3234812272 [1,1,0,0,0,0|1,0,0]=3 190 B4R0.1 C[C@@H](N)CO Z346076140 [1,1,0,0,0,0|0,0,0]=2 191 B4R0.1 C[C@@H](O)CO Z1255486379 [1,1,0,0,0,0|0,0,0]=2 192 B4R0.1 C[C@H](N)CN Z1741977335 [1,1,0,0,0,0|1,0,0]=3 193 B4R0.1 C[C@H](O)CN Z1203577967 [1,1,0,0,0,0|1,0,0]=3 194 B4R0.1 C[C@H](O)CO Z1255449993 [1,1,0,0,0,0|0,0,0]=2 195 B4R0.1 N=C(N)CO Z1259341033 [1,1,0,0,0,0|1,0,1]=4 196 B4R0.1 NC(=O)CO Z424788508 [1,1,0,0,0,0|0,0,2]=4 197 B4R0.1 NCC(=O)O Z955123660 [1,1,0,0,0,0|1,0,1]=4 198 B4R0.1 NCC(F)F Z1295543893 [1,1,0,0,0,0|2,0,0]=4 199 B4R0.1 O=C(O)CBr Z104473018 [1,1,0,0,0,0|1,0,1]=4 200 B4R0.1 O=C(O)CO Z104473274 [1,1,0,0,0,0|0,0,1]=3 201 B4R0.1 OCC(F)F Z397587054 [1,1,0,0,0,0|1,0,0]=3 202 B6R0.1 C#CCC(=O)OC Z1198160347 [0,2,0,0,0,0|1,0,1]=4 203 B6R0.1 C#CCC(N)CC Z969111798 [0,2,0,0,0,0|2,0,0]=4 204 B6R0.1 C#CCC(O)CN Z2491498074 [0,2,0,0,0,0|1,0,1]=4 205 B6R0.1 C=CCC(N)CC Z1981870426 [0,2,0,0,0,0|2,0,0]=4 206 B6R0.1 C=CCC(N)CO Z1815149150 [0,2,0,0,0,0|1,0,1]=4 207 B6R0.1 C=CCC(O)CC Z808662120 [0,2,0,0,0,0|1,0,1]=4 208 B6R0.1 CC(CN)CCO Z1203581915 [0,2,0,0,0,0|1,0,0]=3 209 B6R0.1 CC(CO)CCN Z5410631465 [0,2,0,0,0,0|1,0,0]=3 210 B6R0.1 CCC(=O)COC Z825742020 [0,2,0,0,0,0|1,0,0]=3 211 B6R0.1 CCC(C)CNC Z1266854907 [0,2,0,0,0,0|2,0,0]=4 212 B6R0.1 CCC(N)CCO Z1258578227 [0,2,0,0,0,0|1,0,0]=3 213 B6R0.1 CCC(N)COC Z825742260 [0,2,0,0,0,0|1,0,0]=3 214 B6R0.1 CCC(O)CCN Z406342052 [0,2,0,0,0,0|2,0,0]=4 215 B6R0.1 CCC(O)CCO Z1198157972 [0,2,0,0,0,0|1,0,0]=3 216 B6R0.1 CCCC(=O)CN Z1203579017 [0,2,0,0,0,0|2,0,0]=4 217 B6R0.1 CCCC(=O)NO Z59181937 [0,2,0,0,0,0|1,0,1]=4 218 B6R0.1 CCCC(C)C#N Z415654768 [0,2,0,0,0,0|2,0,0]=4 219 B6R0.1 CCCC(C)NC Z394693580 [0,2,0,0,0,0|2,0,0]=4 220 B6R0.1 CCCC(N)C#N Z398513448 [0,2,0,0,0,0|2,0,0]=4 221 B6R0.1 CCCC(N)CC Z1642389626 [0,2,0,0,0,0|2,0,0]=4 222 B6R0.1 CCCC(N)CN Z425861040 [0,2,0,0,0,0|2,0,0]=4 223 B6R0.1 CCCC(O)CN Z419084742 [0,2,0,0,0,0|1,0,0]=3 224 B6R0.1 CCCN(C)N=O Z1198147496 [0,2,0,0,0,0|2,0,0]=4 225 B6R0.1 CCNC(=O)CO Z431952024 [0,2,0,0,0,0|1,0,1]=4 226 B6R0.1 CCNC(C)CC Z2509351098 [0,2,0,0,0,0|2,0,0]=4 227 B6R0.1 CCOC(=N)CC Z3033961910 [0,2,0,0,0,0|1,0,1]=4 228 B6R0.1 CCOC(=O)CN Z594038186 [0,2,0,0,0,0|1,0,1]=4 229 B6R0.1 CCOC(=O)CO Z385458066 [0,2,0,0,0,0|0,0,1]=3 230 B6R0.1 CCOC(C)CN Z844631802 [0,2,0,0,0,0|1,0,0]=3 231 B6R0.1 CCS(=O)CCN Z1266854910 [0,2,0,0,0,0|1,1,0]=4 232 B6R0.1 CNC(=O)CCCl Z239813512 [0,2,0,0,0,0|2,0,0]=4 233 B6R0.1 CNC(=O)CCN Z425449754 [0,2,0,0,0,0|2,0,0]=4 234 B6R0.1 CNC(=O)CCO Z975909370 [0,2,0,0,0,0|1,0,0]=3 235 B6R0.1 CNC(C)CC#N Z666295372 [0,2,0,0,0,0|2,0,0]=4 236 B6R0.1 CNC(C)CCO Z1198266877 [0,2,0,0,0,0|1,0,0]=3 237 B6R0.1 CNC(C)COC Z815264298 [0,2,0,0,0,0|1,0,0]=3 238 B6R0.1 CNC(C)CSC Z995116552 [0,2,0,0,0,0|1,1,0]=4 239 B6R0.1 CNCC(=O)OC Z89264972 [0,2,0,0,0,0|1,0,1]=4 240 B6R0.1 CNCC(C)OC Z2065788390 [0,2,0,0,0,0|1,0,0]=3 241 B6R0.1 CNC[C@H](O)CO Z600533638 [0,2,0,0,0,0|1,0,0]=3 242 B6R0.1 COC(C)CC#N Z847151020 [0,2,0,0,0,0|1,0,0]=3 243 B6R0.1 COC(C)CCN Z802903932 [0,2,0,0,0,0|1,0,0]=3 244 B6R0.1 COCC(C)CO Z1192375999 [0,2,0,0,0,0|0,0,0]=2 245 B6R0.1 COCC(N)C#N Z1601562385 [0,2,0,0,0,0|1,0,0]=3 246 B6R0.1 COCC(N)CN Z1203580237 [0,2,0,0,0,0|1,0,0]=3 247 B6R0.1 COCC(N)CO Z1945984156 [0,2,0,0,0,0|0,0,0]=2 248 B6R0.1 COCC(O)CN Z271097108 [0,2,0,0,0,0|0,0,0]=2 249 B6R0.1 CONC(=O)CCl Z234816732 [0,2,0,0,0,0|1,0,1]=4 250 B6R0.1 CSC(C)CCN Z732208464 [0,2,0,0,0,0|1,1,0]=4 251 B6R0.1 CSC(C)CCO Z1262258908 [0,2,0,0,0,0|0,1,0]=3 252 B6R0.1 CSCC(C)CN Z732208434 [0,2,0,0,0,0|1,1,0]=4 253 B6R0.1 CSCC(C)CO Z1270310211 [0,2,0,0,0,0|0,1,0]=3 254 B6R0.1 CSCC(O)CO Z1126770422 [0,2,0,0,0,0|0,1,0]=3 255 B6R0.1 NCC[C@H](F)CN Z4607150940 [0,2,0,0,0,0|2,0,0]=4 256 B6R0.2 C=C(C)CC(=O)O Z295890066 [0,2,0,0,0,0|1,0,1]=4 257 B6R0.2 CC(=O)CC(C)N Z57329385 [0,2,0,0,0,0|2,0,0]=4 258 B6R0.2 CC(C)CB(O)O Z1098324138 [0,2,0,0,0,0|2,0,0]=4 259 B6R0.2 CC(C)CC(=O)O Z104474910 [0,2,0,0,0,0|1,0,1]=4 260 B6R0.2 CC(N)CC(=O)O Z147647144 [0,2,0,0,0,0|1,0,1]=4 261 B6R0.2 CC(N)CS(=O)C Z1238793449 [0,2,0,0,0,0|1,1,0]=4 262 B6R0.2 CN(C)CC(=O)O Z235580496 [0,2,0,0,0,0|1,0,1]=4 263 B6R0.2 C[C@H](N)CC(=O)O Z1741969208 [0,2,0,0,0,0|1,0,1]=4 264 B6R0.3 CC(C)C(C)CN Z415654990 [0,2,0,0,0,0|2,0,0]=4 265 B6R0.3 CC(C)C(N)CN Z1266933925 [0,2,0,0,0,0|2,0,0]=4 266 B6R0.3 CC(C)C(O)CN Z1255523288 [0,2,0,0,0,0|2,0,0]=4 267 B6R0.3 CC(C)[C@H](N)CO Z1741982893 [0,2,0,0,0,0|1,0,0]=3 268 B6R0.3 CC(CN)N(C)C Z367452450 [0,2,0,0,0,0|2,0,0]=4 269 B6R0.3 CC(CO)C(=O)O Z431541400 [0,2,0,0,0,0|2,0,0]=4 270 B6R0.3 CC(N)C(C)CO Z1203581847 [0,2,0,0,0,0|1,0,0]=3 271 B6R0.3 CC(O)C(N)CN Z1250080890 [0,2,0,0,0,0|2,0,0]=4 272 B6R0.3 CCC(C)C(=O)O Z237374874 [0,2,0,0,0,0|1,0,1]=4 273 B6R0.3 CCC(C)C(C)N Z335455612 [0,2,0,0,0,0|2,0,0]=4 274 B6R0.3 CCC(N)C(=O)O Z104495144 [0,2,0,0,0,0|1,0,1]=4 275 B6R0.3 CCC(N)C(C)C Z823287438 [0,2,0,0,0,0|2,0,0]=4 276 B6R0.3 CCC(O)C(=O)O Z246073650 [0,2,0,0,0,0|1,0,1]=4 277 B6R0.3 CCC(O)C(C)C Z445987082 [0,2,0,0,0,0|2,0,0]=4 278 B6R0.3 CCC(O)C(C)O Z1251352132 [0,2,0,0,0,0|1,0,0]=3 279 B6R0.3 CC[C@@H](N)C(=O)O Z904976986 [0,2,0,0,0,0|1,0,1]=4 280 B6R0.3 CC[C@H](C)C(=O)O Z1205493564 [0,2,0,0,0,0|1,0,1]=4 281 B6R0.3 CC[C@H](N)C(=O)O Z1741965569 [0,2,0,0,0,0|1,0,1]=4 282 B6R0.3 CN(C)C(=O)CO Z431952018 [0,2,0,0,0,0|1,0,1]=4 283 B6R0.3 CNC(=O)C(C)O Z431951884 [0,2,0,0,0,0|1,0,1]=4 284 B6R0.3 CNC(C)C(=O)O Z1278590830 [0,2,0,0,0,0|1,0,1]=4 285 B6R0.3 CNC(C)C(C)C Z139701846 [0,2,0,0,0,0|2,0,0]=4 286 B6R0.3 CNC(C)C(F)F Z4086726897 [0,2,0,0,0,0|2,0,0]=4 287 B6R0.3 COC(=N)C(C)C Z2944341356 [0,2,0,0,0,0|1,0,1]=4 288 B6R0.3 COC(=O)C(C)N Z56968898 [0,2,0,0,0,0|1,0,1]=4 289 B6R0.3 COC(C)C(=N)N Z1365534351 [0,2,0,0,0,0|1,0,1]=4 290 B6R0.3 COC(C)C(=O)C Z447898138 [0,2,0,0,0,0|0,0,2]=4 291 B6R0.3 COC(C)C(=O)N Z223645218 [0,2,0,0,0,0|0,0,2]=4 292 B6R0.3 COC(C)C(=O)O Z316258898 [0,2,0,0,0,0|0,0,1]=3 293 B6R0.3 COC(C)[C@@H](C)N Z2160914955 [0,2,0,0,0,0|1,0,0]=3 294 B6R0.3 COC(C)[C@H](C)N Z1795817829 [0,2,0,0,0,0|1,0,0]=3 295 B6R0.3 CSC(C)C(=O)O Z149191750 [0,2,0,0,0,0|0,1,1]=4 296 B6R0.3 CSC(C)C(C)O Z1273036711 [0,2,0,0,0,0|0,1,0]=3 297 B6R0.3 NC(CO)C(=O)O Z57396986 [0,2,0,0,0,0|2,0,0]=4 298 B6R0.3 N[C@@H](CO)C(=O)O Z756440058 [0,2,0,0,0,0|2,0,0]=4 299 B6R0.3 N[C@H](CO)C(=O)O Z1070067572 [0,2,0,0,0,0|2,0,0]=4 300 B6R0.4 C#CCCC(=O)O Z295890062 [0,2,0,0,0,0|1,0,1]=4 301 B6R0.4 C#CCCC(C)O Z854048672 [0,2,0,0,0,0|1,0,1]=4 302 B6R0.4 C=CCCC(=O)C Z406376894 [0,2,0,0,0,0|2,0,0]=4 303 B6R0.4 C=CCCC(=O)O Z995028722 [0,2,0,0,0,0|1,0,1]=4 304 B6R0.4 C=CCCC(C)N Z3681295487 [0,2,0,0,0,0|2,0,0]=4 305 B6R0.4 C=COCC(C)C Z916978390 [0,2,0,0,0,0|1,0,1]=4 306 B6R0.4 CC#CCC(C)N Z975788700 [0,2,0,0,0,0|2,0,0]=4 307 B6R0.4 CC(=O)CCC#N Z1251352415 [0,2,0,0,0,0|2,0,0]=4 308 B6R0.4 CC(=O)NCCCl Z57983106 [0,2,0,0,0,0|2,0,0]=4 309 B6R0.4 CC(=O)OCCN Z1973465551 [0,2,0,0,0,0|1,0,0]=3 310 B6R0.4 CC(C)CCCN Z992716898 [0,2,0,0,0,0|2,0,0]=4 311 B6R0.4 CC(C)NCCN Z3375885739 [0,2,0,0,0,0|2,0,0]=4 312 B6R0.4 CC(C)NCCO Z137800940 [0,2,0,0,0,0|1,0,0]=3 313 B6R0.4 CC(C)OCC#N Z295206482 [0,2,0,0,0,0|1,0,1]=4 314 B6R0.4 CC(C)OCCN Z1688198421 [0,2,0,0,0,0|1,0,0]=3 315 B6R0.4 CC(C)OCCO Z104478444 [0,2,0,0,0,0|0,0,0]=2 316 B6R0.4 CC(C)SCCN Z2092369402 [0,2,0,0,0,0|1,1,0]=4 317 B6R0.4 CC(N)CCCN Z2230911100 [0,2,0,0,0,0|2,0,0]=4 318 B6R0.4 CC(N)CCCO Z1203578676 [0,2,0,0,0,0|1,0,0]=3 319 B6R0.4 CC(O)CCCN Z1198178891 [0,2,0,0,0,0|1,0,0]=3 320 B6R0.4 CCCCB(O)O Z1147227739 [0,2,0,0,0,0|1,0,0]=3 321 B6R0.4 CCCCC(=N)N Z1723418909 [0,2,0,0,0,0|2,0,0]=4 322 B6R0.4 CCCCC(=O)N Z104476278 [0,2,0,0,0,0|1,0,1]=4 323 B6R0.4 CCCCC(=O)O Z104473312 [0,2,0,0,0,0|1,0,0]=3 324 B6R0.4 CCCCC(C)N Z3300506318 [0,2,0,0,0,0|2,0,0]=4 325 B6R0.4 CCCNC(=O)C Z33030314 [0,2,0,0,0,0|2,0,0]=4 326 B6R0.4 CCCOC(=O)N Z1198148877 [0,2,0,0,0,0|1,0,1]=4 327 B6R0.4 CCNCC(=O)O Z744593094 [0,2,0,0,0,0|1,0,1]=4 328 B6R0.4 CCNCC(C)C Z380844664 [0,2,0,0,0,0|2,0,0]=4 329 B6R0.4 CCNCC(C)O Z138692768 [0,2,0,0,0,0|1,0,0]=3 330 B6R0.4 CCNCC(F)F Z1691545150 [0,2,0,0,0,0|2,0,0]=4 331 B6R0.4 CCOCC(=O)O Z104495232 [0,2,0,0,0,0|0,0,1]=3 332 B6R0.4 CCOCC(C)N Z839575202 [0,2,0,0,0,0|1,0,0]=3 333 B6R0.4 CCSCC(C)N Z1203641186 [0,2,0,0,0,0|1,1,0]=4 334 B6R0.4 CN(C)CCC#N Z57980324 [0,2,0,0,0,0|2,0,0]=4 335 B6R0.4 CNCCC(=O)C Z1536943318 [0,2,0,0,0,0|1,0,1]=4 336 B6R0.4 CNCCC(C)C Z607822512 [0,2,0,0,0,0|2,0,0]=4 337 B6R0.4 CNCCC(C)O Z1203731868 [0,2,0,0,0,0|1,0,0]=3 338 B6R0.4 CNCCN(C)C Z138123106 [0,2,0,0,0,0|2,0,0]=4 339 B6R0.4 COCCC(=N)N Z1592042674 [0,2,0,0,0,0|1,0,0]=3 340 B6R0.4 COCCC(=O)C Z362119682 [0,2,0,0,0,0|0,0,1]=3 341 B6R0.4 COCCC(=O)N Z394696458 [0,2,0,0,0,0|0,0,1]=3 342 B6R0.4 COCCC(=O)O Z285184634 [0,2,0,0,0,0|0,0,0]=2 343 B6R0.4 COCCC(C)N Z361881180 [0,2,0,0,0,0|1,0,0]=3 344 B6R0.4 COCCC(C)O Z818738042 [0,2,0,0,0,0|0,0,0]=2 345 B6R0.4 COCCN(C)C Z5121096537 [0,2,0,0,0,0|1,0,0]=3 346 B6R0.4 CSCCC(=N)N Z1266823407 [0,2,0,0,0,0|1,1,0]=4 347 B6R0.4 CSCCC(=O)O Z54719251 [0,2,0,0,0,0|0,1,0]=3 348 B6R0.4 N=C(N)NCCO Z911465228 [0,2,0,0,0,0|1,0,1]=4 349 B6R0.4 N=C(N)SCCO Z57111959 [0,2,0,0,0,0|0,1,1]=4 350 B6R0.4 NC(=O)CCCO Z1203578394 [0,2,0,0,0,0|1,0,1]=4 351 B6R0.4 NC(=O)OCCO Z1198158440 [0,2,0,0,0,0|0,0,1]=3 352 B6R0.4 NCCCC(=O)O Z104475620 [0,2,0,0,0,0|1,0,1]=4 353 B6R0.4 NCCCC(F)F Z1198165810 [0,2,0,0,0,0|2,0,0]=4 354 B6R0.4 NCCCS(=O)O Z1203579399 [0,2,0,0,0,0|2,0,0]=4 355 B6R0.4 NCCOC(=O)N Z1587257433 [0,2,0,0,0,0|1,0,1]=4 356 B6R0.4 NCCSC(F)F Z2681247712 [0,2,0,0,0,0|1,1,0]=4 357 B6R0.4 O=C(O)CCCS Z147642510 [0,2,0,0,0,0|1,0,1]=4 358 B6R0.5 C#CCC(C)(C)O Z1098923701 [0,2,0,0,0,0|1,0,1]=4 359 B6R0.5 CC(C)(F)CCN Z2515207542 [0,2,0,0,0,0|2,0,0]=4 360 B6R0.5 CC(C)(N)CCF Z4297373689 [0,2,0,0,0,0|2,0,0]=4 361 B6R0.5 CC(C)(N)CCN Z2218555716 [0,2,0,0,0,0|2,0,0]=4 362 B6R0.5 CC(C)(N)CCO Z1198183553 [0,2,0,0,0,0|1,0,0]=3 363 B6R0.5 CC(C)(O)CC#N Z1182322175 [0,2,0,0,0,0|2,0,0]=4 364 B6R0.5 CC(F)(F)CCN Z2230911674 [0,2,0,0,0,0|2,0,0]=4 365 B6R0.5 CCCC(C)(C)N Z1262250787 [0,2,0,0,0,0|2,0,0]=4 366 B6R0.5 CCCC(C)(C)O Z449374450 [0,2,0,0,0,0|1,0,0]=3 367 B6R0.5 CNCC(C)(C)C Z992717054 [0,2,0,0,0,0|2,0,0]=4 368 B6R0.5 CNCC(C)(C)O Z600453550 [0,2,0,0,0,0|1,0,0]=3 369 B6R0.5 CNCC(F)(F)Br Z2168496104 [0,2,0,0,0,0|2,0,0]=4 370 B6R0.5 CNCC(F)(F)Cl Z4410130964 [0,2,0,0,0,0|2,0,0]=4 371 B6R0.5 COCC(C)(C)N Z1258578421 [0,2,0,0,0,0|1,0,0]=3 372 B6R0.5 CS(=O)(=O)CCN Z265638750 [0,2,0,0,0,0|1,1,0]=4 373 B6R0.5 C[N+](C)(C)CCBr Z1269136668 [0,2,0,0,0,0|2,0,0]=4 374 B6R0.5 C[N+](C)(C)CCF Z1255450613 [0,2,0,0,0,0|2,0,0]=4 375 B6R0.5 C[N+](C)(C)CCO Z2758800560 [0,2,0,0,0,0|1,0,0]=3 376 B6R0.5 NS(=O)(=O)CCO Z1267897807 [0,2,0,0,0,0|1,1,0]=4 377 B6R0.6 C#CCCCCN Z1431002697 [0,2,0,0,0,0|2,0,0]=4 378 B6R0.6 C#CCNCCC Z815264308 [0,2,0,0,0,0|2,0,0]=4 379 B6R0.6 C#CCNCCF Z3325124018 [0,2,0,0,0,0|2,0,0]=4 380 B6R0.6 C#CCSCCN Z1250132324 [0,2,0,0,0,0|1,1,0]=4 381 B6R0.6 C=CCCCCN Z1198160046 [0,2,0,0,0,0|2,0,0]=4 382 B6R0.6 C=CCNCCO Z137800938 [0,2,0,0,0,0|1,0,0]=3 383 B6R0.6 C=CCOCCN Z976678988 [0,2,0,0,0,0|1,0,0]=3 384 B6R0.6 C=CCSCCN Z1262237162 [0,2,0,0,0,0|1,1,0]=4 385 B6R0.6 CCC#CCCN Z1203585246 [0,2,0,0,0,0|2,0,0]=4 386 B6R0.6 CCCCCCO Z104473568 [0,2,0,0,0,0|1,0,0]=3 387 B6R0.6 CCCCN=C=S Z104473876 [0,2,0,0,0,0|1,1,0]=4 388 B6R0.6 CCCNCC#N Z235653524 [0,2,0,0,0,0|2,0,0]=4 389 B6R0.6 CCCOCCN Z4449042604 [0,2,0,0,0,0|1,0,0]=3 390 B6R0.6 CCNCCCF Z1203824341 [0,2,0,0,0,0|2,0,0]=4 391 B6R0.6 CCNCCCO Z138139914 [0,2,0,0,0,0|1,0,0]=3 392 B6R0.6 CCNCCSC Z2412193591 [0,2,0,0,0,0|1,1,0]=4 393 B6R0.6 CCOCCCO Z1080358490 [0,2,0,0,0,0|0,0,0]=2 394 B6R0.6 CNCCCCN Z2939606540 [0,2,0,0,0,0|2,0,0]=4 395 B6R0.6 CNCCCCO Z839096662 [0,2,0,0,0,0|1,0,0]=3 396 B6R0.6 CNCCCOC Z137847932 [0,2,0,0,0,0|1,0,0]=3 397 B6R0.6 CNCCCSC Z102766932 [0,2,0,0,0,0|1,1,0]=4 398 B6R0.6 COCCCC#N Z295205400 [0,2,0,0,0,0|1,0,0]=3 399 B6R0.6 COCCCCO Z431605254 [0,2,0,0,0,0|0,0,0]=2 400 B6R0.6 COCCN=C=O Z1094719556 [0,2,0,0,0,0|0,0,1]=3 401 B6R0.6 CONCCCN Z2492414217 [0,2,0,0,0,0|1,0,0]=3 402 B6R0.6 ClCCNCCCl Z57388616 [0,2,0,0,0,0|2,0,0]=4 403 B6R0.6 FCCNCCF Z4880681336 [0,2,0,0,0,0|2,0,0]=4 404 B6R0.6 N#CCCCCN Z823279224 [0,2,0,0,0,0|2,0,0]=4 405 B6R0.6 N#CCCCCO Z431952150 [0,2,0,0,0,0|1,0,0]=3 406 B6R0.6 NCC#CCCO Z1203639371 [0,2,0,0,0,0|1,0,0]=3 407 B6R0.6 NCCC#CCO Z4947584692 [0,2,0,0,0,0|1,0,1]=4 408 B6R0.6 NCCCCCF Z3524160733 [0,2,0,0,0,0|2,0,0]=4 409 B6R0.6 NCCCCCN Z951173830 [0,2,0,0,0,0|2,0,0]=4 410 B6R0.6 NCCNCCN Z104475186 [0,2,0,0,0,0|2,0,0]=4 411 B6R0.6 OCCNCCO Z104475196 [0,2,0,0,0,0|1,0,0]=3 412 B6R0.8 C#CC(C)(C)OC Z1198169184 [0,2,0,0,0,0|1,0,1]=4 413 B6R0.8 CC(C)(CN)CO Z3247605488 [0,2,0,0,0,0|2,0,0]=4 414 B6R0.8 CC(N)(C#N)CO Z2082998957 [0,2,0,0,0,0|2,0,0]=4 415 B6R0.8 CCC(C)(C)CO Z995039230 [0,2,0,0,0,0|1,0,0]=3 416 B6R0.8 CCC(C)(C)NC Z335250498 [0,2,0,0,0,0|2,0,0]=4 417 B6R0.8 CCC(C)(N)CC Z1267881628 [0,2,0,0,0,0|2,0,0]=4 418 B6R0.8 CCC(C)(N)CN Z425861002 [0,2,0,0,0,0|2,0,0]=4 419 B6R0.8 CCC(C)(N)CO Z734150850 [0,2,0,0,0,0|1,0,0]=3 420 B6R0.8 CCC(C)(O)CC Z449374480 [0,2,0,0,0,0|2,0,0]=4 421 B6R0.8 CCC(C)(O)CN Z419085064 [0,2,0,0,0,0|2,0,0]=4 422 B6R0.8 CNC(C)(C)CN Z1511495256 [0,2,0,0,0,0|2,0,0]=4 423 B6R0.8 CNC(C)(C)CO Z425727892 [0,2,0,0,0,0|1,0,0]=3 424 B6R0.8 COC(C)(C)CN Z1266933932 [0,2,0,0,0,0|1,0,0]=3 425 B6R0.8 COC(C)(C)CO Z1255430497 [0,2,0,0,0,0|0,0,0]=2 426 B6R0.8 CSC(C)(C)CN Z1203639115 [0,2,0,0,0,0|1,1,0]=4 427 B6R0.9 C#CC(CC)CN Z5851994475 [0,2,0,0,0,0|2,0,0]=4 428 B6R0.9 CCC(C#N)NC Z2472860014 [0,2,0,0,0,0|2,0,0]=4 429 B6R0.9 CCC(C#N)OC Z851010100 [0,2,0,0,0,0|1,0,0]=3 430 B6R0.9 CCC(CC)NC Z1262254286 [0,2,0,0,0,0|2,0,0]=4 431 B6R0.9 CCC(CN)OC Z2168541798 [0,2,0,0,0,0|1,0,0]=3 432 B6R0.9 CCC(CO)CO Z1198261463 [0,2,0,0,0,0|1,0,0]=3 433 B6R0.9 CCC(CO)OC Z1255373272 [0,2,0,0,0,0|0,0,0]=2 434 B6R0.9 CNC(CO)CO Z1939437574 [0,2,0,0,0,0|1,0,0]=3 435 B6R0.9 COC(C#N)OC Z1255464222 [0,2,0,0,0,0|1,0,1]=4 436 B6R1.2 C=C1CCNC1 Z3019986853 [0,1,0,1,0,0|2,0,0]=4 437 B6R1.2 C=C1CNOC1 Z3037884222 [0,1,0,1,0,0|1,0,1]=4 438 B6R1.2 CC1=CCNC1 Z1203734447 [0,1,0,1,0,0|2,0,0]=4 439 B6R1.2 CC1=NCCN1 Z204020260 [0,1,0,1,0,0|2,0,0]=4 440 B6R1.2 CC1=NCCS1 Z104480256 [0,1,0,1,0,0|1,1,0]=4 441 B6R1.2 CC1CCCN1 Z1274177652 [0,1,0,1,0,0|2,0,0]=4 442 B6R1.2 CC1CCNC1 Z729771722 [0,1,0,1,0,0|2,0,0]=4 443 B6R1.2 CC1CNNC1 Z4953319766 [0,1,0,1,0,0|2,0,0]=4 444 B6R1.2 FC1CCNC1 Z1139751347 [0,1,0,1,0,0|2,0,0]=4 445 B6R1.2 NC1=NCCO1 Z336087916 [0,1,0,1,0,0|1,0,1]=4 446 B6R1.2 NC1CC=CC1 Z1416200863 [0,1,0,1,0,0|2,0,0]=4 447 B6R1.2 NC1CCOC1 Z802544198 [0,1,0,1,0,0|1,0,0]=3 448 B6R1.2 NC1CCSC1 Z1267885911 [0,1,0,1,0,0|1,1,0]=4 449 B6R1.2 O=C1CCNC1 Z1741976513 [0,1,0,1,0,0|1,0,1]=4 450 B6R1.2 O=C1CCSC1 Z104495638 [0,1,0,1,0,0|0,1,1]=4 451 B6R1.2 O=C1NCCO1 Z104474784 [0,1,0,1,0,0|1,0,1]=4 452 B6R1.2 O=C1OCCO1 Z1172235744 [0,1,0,1,0,0|0,0,1]=3 453 B6R1.2 O=S1CCCC1 Z278052312 [0,1,0,1,0,0|1,0,1]=4 454 B6R1.2 OC1C=CCC1 Z1255485846 [0,1,0,1,0,0|1,0,1]=4 455 B6R1.2 OC1CCOC1 Z1124541349 [0,1,0,1,0,0|0,0,0]=2 456 B6R1.2 OC1CCSC1 Z335244836 [0,1,0,1,0,0|0,1,0]=3 457 B6R1.2 O[C@@H]1CCNC1 Z1263714129 [0,1,0,1,0,0|1,0,0]=3 458 B6R1.2 O[C@H]1CCNC1 Z1263714116 [0,1,0,1,0,0|1,0,0]=3 459 B6R1.3 ClCCC1CO1 Z1205657512 [0,1,0,1,0,0|1,0,0]=3 460 B6R1.3 NCCC1CC1 Z1267773823 [0,1,0,1,0,0|2,0,0]=4 461 B6R1.3 O=CCC1CC1 Z905066058 [0,1,0,1,0,0|1,0,1]=4 462 B6R1.3 OCCC1CC1 Z826525694 [0,1,0,1,0,0|1,0,0]=3 463 B6R1.5 CC1CC(C1)N Z1357823942 [0,1,0,1,0,0|2,0,0]=4 464 B6R1.5 CC1CC(N1)C Z2143576622 [0,1,0,1,0,0|2,0,0]=4 465 B6R1.5 CN1CC(C1)N Z1741969265 [0,1,0,1,0,0|2,0,0]=4 466 B6R1.5 NC1CC(C1)N Z1511513968 [0,1,0,1,0,0|2,0,0]=4 467 B6R1.5 N[C@H]1C[C@@H](C1)N Z3244521251 [0,1,0,1,0,0|2,0,0]=4 468 B6R1.5 N[C@H]1C[C@H](C1)F Z3015579885 [0,1,0,1,0,0|2,0,0]=4 469 B6R1.5 N[C@H]1C[C@H](C1)O Z1416282421 [0,1,0,1,0,0|1,0,0]=3 470 B6R1.5 O[C@H]1C[C@H](C1)O Z2065357735 [0,1,0,1,0,0|1,0,0]=3 471 B6R1.8 C=C1CC1CN Z3454021936 [0,1,0,1,0,0|2,0,0]=4 472 B6R1.8 CC1CC1C#N Z1079178904 [0,1,0,1,0,0|2,0,0]=4 473 B6R1.8 CC1CC1C=O Z1079442440 [0,1,0,1,0,0|1,0,1]=4 474 B6R1.8 CC1CC1CN Z415636622 [0,1,0,1,0,0|2,0,0]=4 475 B6R1.8 CC1CC1CO Z397587430 [0,1,0,1,0,0|1,0,0]=3 476 B6R1.8 CC1OC1CCl Z1205657581 [0,1,0,1,0,0|1,0,0]=3 477 B6R1.8 C[C@H]1C[C@@H]1C=O Z1511765506 [0,1,0,1,0,0|1,0,1]=4 478 B6R1.8 C[C@H]1C[C@H]1C=O Z1511760860 [0,1,0,1,0,0|1,0,1]=4 479 B6R1.8 N[C@@H]1C[C@H]1CF Z3085640372 [0,1,0,1,0,0|2,0,0]=4 480 B6R1.9 CC1(CC1N)C Z1259335876 [0,1,0,1,0,0|2,0,0]=4 481 B6R1.10 CC1(CCC1)N Z1741969618 [0,1,0,1,0,0|2,0,0]=4 482 B6R1.10 CC1(CCC1)O Z1241455013 [0,1,0,1,0,0|1,0,0]=3 483 B6R1.10 CC1(CCN1)C Z1198749898 [0,1,0,1,0,0|2,0,0]=4 484 B6R1.10 CC1(CNC1)C Z2142036999 [0,1,0,1,0,0|2,0,0]=4 485 B6R1.10 CC1(CNC1)F Z1964347522 [0,1,0,1,0,0|2,0,0]=4 486 B6R1.11 C=C(Cl)C1CO1 Z2574917304 [0,1,0,1,0,0|1,0,1]=4 487 B6R1.11 CC(C)C1CO1 Z1020679856 [0,1,0,1,0,0|1,0,0]=3 488 B6R1.11 CC(N)C1CC1 Z89283349 [0,1,0,1,0,0|2,0,0]=4 489 B6R1.1 C1=CCCCC1 Z104474726 [0,1,0,1,0,0|2,0,0]=4 490 B6R1.1 C1=CCNCC1 Z1623864216 [0,1,0,1,0,0|2,0,0]=4 491 B6R1.1 C1=CCONC1 Z1486018651 [0,1,0,1,0,0|1,0,1]=4 492 B6R1.1 C1CCONC1 Z1787355355 [0,1,0,1,0,0|1,0,0]=3 493 B6R1.1 C1CNCCN1 Z1245537944 [0,1,0,1,0,0|2,0,0]=4 494 B6R1.1 C1COCCN1 Z57127568 [0,1,0,1,0,0|1,0,0]=3 495 B6R1.1 C1CSCCN1 Z352252014 [0,1,0,1,0,0|1,1,0]=4 496 B6R1.4 CC1CCC1N Z2082999653 [0,1,0,1,0,0|2,0,0]=4 497 B6R1.6 CCC1CNC1 Z1203733931 [0,1,0,1,0,0|2,0,0]=4 498 B6R1.6 CNC1CCC1 Z1263820270 [0,1,0,1,0,0|2,0,0]=4 499 B6R1.6 COC1CNC1 Z1267773781 [0,1,0,1,0,0|1,0,0]=3 500 B6R1.6 N#CC1CCC1 Z406694072 [0,1,0,1,0,0|2,0,0]=4 501 B6R1.6 NCC1CCC1 Z381061564 [0,1,0,1,0,0|2,0,0]=4 502 B6R1.6 NCC1CNC1 Z1198274908 [0,1,0,1,0,0|2,0,0]=4 503 B6R1.6 O=CC1CCC1 Z1079442452 [0,1,0,1,0,0|1,0,1]=4 504 B6R1.7 CC1(CC1)CN Z1335657802 [0,1,0,1,0,0|2,0,0]=4 505 B6R1.7 CC1(CO1)CCl Z1201618277 [0,1,0,1,0,0|1,0,0]=3 506 B6R1.7 CCC1(CC1)N Z2234631229 [0,1,0,1,0,0|2,0,0]=4 507 B6R1.7 CCC1(CO1)C Z1020679924 [0,1,0,1,0,0|1,0,0]=3 508 B6R1.7 CNC1(CC1)C Z2310723089 [0,1,0,1,0,0|2,0,0]=4 509 B6R1.7 NC1(CC1)CO Z1741975623 [0,1,0,1,0,0|1,0,0]=3 510 B6R1.12 C[C@H]1C([C@@H]1C)N Z4052355194 [0,1,0,1,0,0|2,0,0]=4 511 B6R1.12 C[C@H]1[C@H]([C@@H]1N)C Z3847494912 [0,1,0,1,0,0|2,0,0]=4