0 B5R0.4 C#CC(C)(C)O Z1245735173 [0,0,0,0,0,0|1,1,2]=4 1 B5R0.4 C=CC(C)(C)N Z2940715337 [0,0,0,0,0,0|1,1,2]=4 2 B5R0.4 CC(C)(C)C#N Z278179882 [0,0,0,0,0,0|1,1,1]=3 3 B5R0.4 CC(C)(C)CN Z291234094 [0,0,0,0,0,0|1,1,0]=2 4 B5R0.4 CC(C)(C)CO Z397587176 [0,0,0,0,0,0|1,1,0]=2 5 B5R0.4 CC(C)(F)C#N Z1198369138 [0,0,0,0,0,0|2,1,1]=4 6 B5R0.4 CC(C)(N)C#N Z57176535 [0,0,0,0,0,0|2,1,1]=4 7 B5R0.4 CC(C)(N)CN Z1266854946 [0,0,0,0,0,0|2,1,0]=3 8 B5R0.4 CC(C)(O)C#N Z104473082 [0,0,0,0,0,0|2,1,1]=4 9 B5R0.4 CC(C)(O)CO Z600454414 [0,0,0,0,0,0|2,1,0]=3 10 B5R0.4 CC(F)(F)CN Z1201623622 [0,0,0,0,0,0|3,1,0]=4 11 B5R0.4 CCC(C)(C)N Z104480062 [0,0,0,0,0,0|1,1,0]=2 12 B5R0.4 CCC(C)(C)O Z104473496 [0,0,0,0,0,0|1,1,0]=2 13 B5R0.4 CCS(=O)(=O)N Z54886646 [0,0,0,0,0,0|4,0,0]=4 14 B5R0.4 CNS(=O)(=O)C Z54078255 [0,0,0,0,0,0|4,0,0]=4 15 B5R0.4 COS(=O)(=O)C Z133684226 [0,0,0,0,0,0|4,0,0]=4 16 B4R0.1 CC(=O)CN Z1262398366 [1,0,0,0,0,0|2,1,0]=4 17 B4R0.1 CC(C)NO Z1198161074 [1,0,0,0,0,0|2,1,0]=4 18 B4R0.1 CC(F)CN Z2941405027 [1,0,0,0,0,0|2,1,0]=4 19 B4R0.1 CC(N)CF Z2096088772 [1,0,0,0,0,0|2,1,0]=4 20 B4R0.1 CC(N)CN Z104474490 [1,0,0,0,0,0|2,1,0]=4 21 B4R0.1 CC(O)CN Z104477092 [1,0,0,0,0,0|2,1,0]=4 22 B4R0.1 CC(O)CO Z106938868 [1,0,0,0,0,0|2,1,0]=4 23 B4R0.1 CCC(=N)N Z1741969146 [1,0,0,0,0,0|2,1,0]=4 24 B4R0.1 CCC(=O)N Z33546482 [1,0,0,0,0,0|2,1,0]=4 25 B4R0.1 CCC(=O)O Z104474154 [1,0,0,0,0,0|2,1,0]=4 26 B4R0.1 CCC(=S)N Z241091446 [1,0,0,0,0,0|2,1,0]=4 27 B4R0.1 CCC(C)N Z104472234 [1,0,0,0,0,0|1,1,0]=3 28 B4R0.1 CC[C@@H](C)O Z1203162396 [1,0,0,0,0,0|1,1,0]=3 29 B4R0.1 CN(C)C#N Z1255394988 [1,0,0,0,0,0|2,0,1]=4 30 B4R0.1 CN(C)N=O Z1255485177 [1,0,0,0,0,0|3,0,0]=4 31 B4R0.1 CNC(=N)C Z2146515751 [1,0,0,0,0,0|2,1,0]=4 32 B4R0.1 CNC(=O)C Z32016274 [1,0,0,0,0,0|2,1,0]=4 33 B4R0.1 C[C@@H](N)CN Z3234812272 [1,0,0,0,0,0|2,1,0]=4 34 B4R0.1 C[C@@H](N)CO Z346076140 [1,0,0,0,0,0|2,1,0]=4 35 B4R0.1 C[C@@H](O)CO Z1255486379 [1,0,0,0,0,0|2,1,0]=4 36 B4R0.1 C[C@H](N)CN Z1741977335 [1,0,0,0,0,0|2,1,0]=4 37 B4R0.1 C[C@H](O)CN Z1203577967 [1,0,0,0,0,0|2,1,0]=4 38 B4R0.1 C[C@H](O)CO Z1255449993 [1,0,0,0,0,0|2,1,0]=4 39 B4R0.3 CC(C)(C)Cl Z281778956 [1,0,0,0,0,0|1,1,0]=3 40 B4R0.3 CS(=O)(=O)C Z417007936 [1,0,0,0,0,0|3,0,0]=4 41 B6R0.5 C#CCC(C)(C)N Z3210767531 [0,1,0,0,0,0|1,1,1]=4 42 B6R0.5 C#CCC(C)(C)O Z1098923701 [0,1,0,0,0,0|1,1,1]=4 43 B6R0.5 CC#CC(C)(C)N Z1203578926 [0,1,0,0,0,0|1,1,1]=4 44 B6R0.5 CC(C)(F)CCN Z2515207542 [0,1,0,0,0,0|1,1,0]=3 45 B6R0.5 CC(C)(N)CCF Z4297373689 [0,1,0,0,0,0|1,1,0]=3 46 B6R0.5 CC(C)(N)CCN Z2218555716 [0,1,0,0,0,0|1,1,0]=3 47 B6R0.5 CC(C)(N)CCO Z1198183553 [0,1,0,0,0,0|1,1,0]=3 48 B6R0.5 CC(C)(O)CC#N Z1182322175 [0,1,0,0,0,0|1,1,1]=4 49 B6R0.5 CC(F)(F)CCN Z2230911674 [0,1,0,0,0,0|2,1,0]=4 50 B6R0.5 CCCC(C)(C)N Z1262250787 [0,1,0,0,0,0|1,1,0]=3 51 B6R0.5 CCCC(C)(C)O Z449374450 [0,1,0,0,0,0|1,1,0]=3 52 B6R0.5 CCNS(=O)(=O)C Z53825320 [0,1,0,0,0,0|3,0,0]=4 53 B6R0.5 CNCC(C)(C)C Z992717054 [0,1,0,0,0,0|0,1,0]=2 54 B6R0.5 CNCC(C)(C)O Z600453550 [0,1,0,0,0,0|1,1,0]=3 55 B6R0.5 COCC(C)(C)N Z1258578421 [0,1,0,0,0,0|1,1,0]=3 56 B6R0.5 CS(=O)(=O)CCN Z265638750 [0,1,0,0,0,0|3,0,0]=4 57 B6R0.5 C[N+](C)(C)CCBr Z1269136668 [0,1,0,0,0,0|1,0,0]=2 58 B6R0.5 C[N+](C)(C)CCF Z1255450613 [0,1,0,0,0,0|1,0,0]=2 59 B6R0.5 C[N+](C)(C)CCO Z2758800560 [0,1,0,0,0,0|1,0,0]=2 60 B6R0.7 CC(=O)C(C)(C)O Z939661728 [0,1,0,0,0,0|1,1,1]=4 61 B6R0.7 CC(C)(C)C(=N)N Z56771178 [0,1,0,0,0,0|1,1,1]=4 62 B6R0.7 CC(C)(C)C(=O)N Z56895677 [0,1,0,0,0,0|1,1,1]=4 63 B6R0.7 CC(C)(C)C(=S)N Z278180216 [0,1,0,0,0,0|1,1,1]=4 64 B6R0.7 CC(C)(O)C(F)F Z1413814779 [0,1,0,0,0,0|2,1,0]=4 65 B6R0.7 CC(C)C(C)(C)N Z1270446314 [0,1,0,0,0,0|1,1,0]=3 66 B6R0.7 CC(N)C(C)(C)F Z3487099771 [0,1,0,0,0,0|1,1,0]=3 67 B6R0.7 CC(N)C(C)(F)F Z2234631218 [0,1,0,0,0,0|2,1,0]=4 68 B6R0.7 CC(O)C(C)(C)N Z3688848535 [0,1,0,0,0,0|1,1,0]=3 69 B6R0.8 C#CC(C)(C)NC Z5942912613 [0,1,0,0,0,0|0,1,2]=4 70 B6R0.8 C#CC(C)(C)OC Z1198169184 [0,1,0,0,0,0|0,1,2]=4 71 B6R0.8 C#CC(C)(O)CC Z1251192957 [0,1,0,0,0,0|1,1,1]=4 72 B6R0.8 C=CC(C)(N)CC Z3042074270 [0,1,0,0,0,0|1,1,1]=4 73 B6R0.8 CC(C)(CN)CO Z3247605488 [0,1,0,0,0,0|1,1,0]=3 74 B6R0.8 CCC(C)(C)C#N Z1079179196 [0,1,0,0,0,0|0,1,1]=3 75 B6R0.8 CCC(C)(C)CO Z995039230 [0,1,0,0,0,0|0,1,0]=2 76 B6R0.8 CCC(C)(C)NC Z335250498 [0,1,0,0,0,0|0,1,0]=2 77 B6R0.8 CCC(C)(N)CC Z1267881628 [0,1,0,0,0,0|1,1,0]=3 78 B6R0.8 CCC(C)(N)CN Z425861002 [0,1,0,0,0,0|1,1,0]=3 79 B6R0.8 CCC(C)(N)CO Z734150850 [0,1,0,0,0,0|1,1,0]=3 80 B6R0.8 CCC(C)(O)CC Z449374480 [0,1,0,0,0,0|1,1,0]=3 81 B6R0.8 CCC(C)(O)CN Z419085064 [0,1,0,0,0,0|1,1,0]=3 82 B6R0.8 CNC(C)(C)C#N Z56347264 [0,1,0,0,0,0|1,1,1]=4 83 B6R0.8 CNC(C)(C)CN Z1511495256 [0,1,0,0,0,0|1,1,0]=3 84 B6R0.8 CNC(C)(C)CO Z425727892 [0,1,0,0,0,0|1,1,0]=3 85 B6R0.8 COC(C)(C)CN Z1266933932 [0,1,0,0,0,0|1,1,0]=3 86 B6R0.8 COC(C)(C)CO Z1255430497 [0,1,0,0,0,0|1,1,0]=3 87 B6R0.8 CSC(C)(C)C#N Z1258769726 [0,1,0,0,0,0|1,1,1]=4 88 B6R0.8 CSC(C)(C)CN Z1203639115 [0,1,0,0,0,0|1,1,0]=3 89 B6R1.7 C#CC1(CC1)C Z1861999732 [0,0,0,1,0,0|0,1,2]=4 90 B6R1.7 CC1(CC1)C=O Z1263714317 [0,0,0,1,0,0|1,1,1]=4 91 B6R1.7 CC1(CC1)CN Z1335657802 [0,0,0,1,0,0|1,1,0]=3 92 B6R1.7 CC1(CO1)CCl Z1201618277 [0,0,0,1,0,0|2,1,0]=4 93 B6R1.7 CCC1(CC1)N Z2234631229 [0,0,0,1,0,0|1,1,0]=3 94 B6R1.7 CCC1(CO1)C Z1020679924 [0,0,0,1,0,0|1,1,0]=3 95 B6R1.7 CNC1(CC1)C Z2310723089 [0,0,0,1,0,0|1,1,0]=3 96 B6R1.7 NC1(CC1)CO Z1741975623 [0,0,0,1,0,0|2,1,0]=4 97 B6R1.9 CC1(CC1N)C Z1259335876 [0,0,0,1,0,0|1,1,0]=3 98 B6R1.9 CC1OC1(C)C Z1255419606 [0,0,0,1,0,0|1,1,0]=3 99 B6R1.10 CC1(CCC1)N Z1741969618 [0,0,0,1,0,0|1,1,0]=3 100 B6R1.10 CC1(CCC1)O Z1241455013 [0,0,0,1,0,0|1,1,0]=3 101 B6R1.10 CC1(CCN1)C Z1198749898 [0,0,0,1,0,0|1,1,0]=3 102 B6R1.10 CC1(CNC1)C Z2142036999 [0,0,0,1,0,0|1,1,0]=3 103 B6R1.10 CC1(CNC1)F Z1964347522 [0,0,0,1,0,0|2,1,0]=4 104 B5R0.1 C=C(C)CCN Z1203582475 [1,1,0,0,0,0|0,1,1]=4 105 B5R0.1 CC(=CCN)C Z1827897919 [1,1,0,0,0,0|0,1,1]=4 106 B5R0.1 CC(=O)CCO Z906206900 [1,1,0,0,0,0|1,1,0]=4 107 B5R0.1 CC(C)CC#N Z104473272 [1,1,0,0,0,0|0,1,1]=4 108 B5R0.1 CC(C)CCO Z104473558 [1,1,0,0,0,0|0,1,0]=3 109 B5R0.1 CC(N)CCO Z385458430 [1,1,0,0,0,0|1,1,0]=4 110 B5R0.1 CC(O)CCN Z802904114 [1,1,0,0,0,0|1,1,0]=4 111 B5R0.1 CC(O)CCO Z104473530 [1,1,0,0,0,0|1,1,0]=4 112 B5R0.1 CCCC(C)N Z2417819590 [1,1,0,0,0,0|1,1,0]=4 113 B5R0.1 CN(C)CCF Z5487577684 [1,1,0,0,0,0|1,0,0]=3 114 B5R0.1 CN(C)CCO Z104473552 [1,1,0,0,0,0|1,0,0]=3 115 B5R0.1 CN(C)CCS Z362025514 [1,1,0,0,0,0|1,0,0]=3 116 B5R0.1 CNCC(C)C Z951367674 [1,1,0,0,0,0|0,1,0]=3 117 B5R0.1 CNCC(C)N Z1413780485 [1,1,0,0,0,0|1,1,0]=4 118 B5R0.1 CNCC(C)O Z138692700 [1,1,0,0,0,0|1,1,0]=4 119 B5R0.1 COCC(C)O Z825742124 [1,1,0,0,0,0|1,1,0]=4 120 B5R0.1 COC[C@@H](C)N Z1270482298 [1,1,0,0,0,0|1,1,0]=4 121 B5R0.1 COC[C@H](C)N Z1270502316 [1,1,0,0,0,0|1,1,0]=4 122 B5R0.1 CS(=O)CCN Z802568576 [1,1,0,0,0,0|2,0,0]=4 123 B5R0.1 CSCC(C)O Z732208306 [1,1,0,0,0,0|1,1,0]=4 124 B5R0.1 CSCS(=O)C Z1255438413 [1,1,0,0,0,0|2,0,0]=4 125 B5R0.1 C[C@@H](N)CCO Z1526453858 [1,1,0,0,0,0|1,1,0]=4 126 B5R0.1 C[C@@H](O)CCN Z1860991703 [1,1,0,0,0,0|1,1,0]=4 127 B5R0.3 C/N=C(\C)/NC Z1431002714 [1,1,0,0,0,0|1,1,0]=4 128 B5R0.3 C=C(CC)CN Z2238934536 [1,1,0,0,0,0|0,1,1]=4 129 B5R0.3 CC(CN)CN Z951173758 [1,1,0,0,0,0|1,1,0]=4 130 B5R0.3 CC(CN)CO Z406342068 [1,1,0,0,0,0|1,1,0]=4 131 B5R0.3 CC(CO)CS Z1262475362 [1,1,0,0,0,0|1,1,0]=4 132 B5R0.3 CCC(=O)CC Z104476878 [1,1,0,0,0,0|1,1,0]=4 133 B5R0.3 CCC(=O)CN Z1203579016 [1,1,0,0,0,0|1,1,0]=4 134 B5R0.3 CCC(C)CN Z2350903977 [1,1,0,0,0,0|0,1,0]=3 135 B5R0.3 CCC(C)NC Z594038230 [1,1,0,0,0,0|0,1,0]=3 136 B5R0.3 CCC(N)CN Z1263714131 [1,1,0,0,0,0|1,1,0]=4 137 B5R0.3 CCC(N)CO Z104474862 [1,1,0,0,0,0|1,1,0]=4 138 B5R0.3 CCC(O)CN Z419084746 [1,1,0,0,0,0|1,1,0]=4 139 B5R0.3 CCC(O)CO Z600450538 [1,1,0,0,0,0|1,1,0]=4 140 B5R0.3 CCN(C)C=O Z1258520870 [1,1,0,0,0,0|1,0,1]=4 141 B5R0.3 CCN(C)N=O Z1198147516 [1,1,0,0,0,0|2,0,0]=4 142 B5R0.3 CC[C@@H](N)CO Z1203162359 [1,1,0,0,0,0|1,1,0]=4 143 B5R0.3 CC[C@H](N)CO Z1203162358 [1,1,0,0,0,0|1,1,0]=4 144 B5R0.3 CNC(C)CN Z941154208 [1,1,0,0,0,0|1,1,0]=4 145 B5R0.3 COC(C)CN Z1795817756 [1,1,0,0,0,0|1,1,0]=4 146 B5R0.3 COC(C)CO Z1198150719 [1,1,0,0,0,0|1,1,0]=4 147 B5R0.3 CSC(C)CN Z844632970 [1,1,0,0,0,0|1,1,0]=4 148 B5R0.3 CSC(C)CO Z1273053291 [1,1,0,0,0,0|1,1,0]=4 149 B5R0.5 CC(=N)N(C)C Z1428159819 [1,1,0,0,0,0|1,0,1]=4 150 B5R0.5 CC(=O)C(C)N Z1263529525 [1,1,0,0,0,0|1,1,0]=4 151 B5R0.5 CC(N)C(C)N Z2335631664 [1,1,0,0,0,0|1,1,0]=4 152 B5R0.5 CC(O)C(C)O Z104473532 [1,1,0,0,0,0|1,1,0]=4 153 B7R0.8 C=CCNC(C)(C)C Z2583036183 [0,2,0,0,0,0|0,1,1]=4 154 B7R0.8 CC(C)(C)CCC#N Z819990894 [0,2,0,0,0,0|0,1,0]=3 155 B7R0.8 CC(C)(C)CCCN Z819989370 [0,2,0,0,0,0|0,1,0]=3 156 B7R0.8 CC(C)(C)CCCO Z1183459256 [0,2,0,0,0,0|0,1,0]=3 157 B7R0.8 CC(C)(C)NCCN Z756919712 [0,2,0,0,0,0|0,1,0]=3 158 B7R0.8 CC(C)(C)OCCN Z362798546 [0,2,0,0,0,0|0,1,0]=3 159 B7R0.8 CC(C)(C)SCCO Z71305457 [0,2,0,0,0,0|0,1,0]=3 160 B7R0.8 CC(C)(N)CCCN Z1184860919 [0,2,0,0,0,0|1,1,0]=4 161 B7R0.8 CC(C)(O)CCCO Z1255438724 [0,2,0,0,0,0|1,1,0]=4 162 B7R0.8 CCCCC(C)(C)N Z4437707785 [0,2,0,0,0,0|1,1,0]=4 163 B7R0.8 CCCNC(C)(C)C Z744754558 [0,2,0,0,0,0|0,1,0]=3 164 B7R0.8 CCNCC(C)(C)O Z600453556 [0,2,0,0,0,0|1,1,0]=4 165 B7R0.8 CNCCC(C)(C)C Z2380417739 [0,2,0,0,0,0|0,1,0]=3 166 B7R0.8 CNCCC(C)(C)N Z2313105672 [0,2,0,0,0,0|1,1,0]=4 167 B7R0.8 COCCC(C)(C)N Z879061970 [0,2,0,0,0,0|1,1,0]=4 168 B7R0.9 CC(=O)CC(C)(C)C Z1171198845 [0,2,0,0,0,0|0,1,0]=3 169 B7R0.9 CC(C)(C)CC(=O)N Z278515142 [0,2,0,0,0,0|0,1,1]=4 170 B7R0.9 CC(C)(C)CC(=O)O Z104478420 [0,2,0,0,0,0|0,1,1]=4 171 B7R0.9 CC(N)CC(C)(C)C Z1171199384 [0,2,0,0,0,0|0,1,0]=3 172 B7R0.9 CC(N)CC(C)(C)O Z2235409221 [0,2,0,0,0,0|1,1,0]=4 173 B7R0.9 CC(O)CC(C)(C)O Z1255485267 [0,2,0,0,0,0|1,1,0]=4 174 B7R0.9 CN(C)CC(C)(C)N Z2284400097 [0,2,0,0,0,0|1,1,0]=4 175 B7R0.9 CN(C)CC(C)(C)O Z2235790912 [0,2,0,0,0,0|1,1,0]=4 176 B7R0.9 C[N+](C)(C)CC(=O)[O-] Z2289798098 [0,2,0,0,0,0|1,0,1]=4 177 B7R0.11 C#CCC(C)(C)CN Z2786076871 [0,2,0,0,0,0|0,1,1]=4 178 B7R0.11 C#CCC(C)(O)CC Z1098923702 [0,2,0,0,0,0|1,1,0]=4 179 B7R0.11 C=CCC(C)(C)CN Z2211231731 [0,2,0,0,0,0|0,1,1]=4 180 B7R0.11 C=CCC(C)(C)CO Z1255384026 [0,2,0,0,0,0|0,1,1]=4 181 B7R0.11 CC(C)(CN)CCO Z1203583786 [0,2,0,0,0,0|0,1,0]=3 182 B7R0.11 CC(C)(CO)CC#N Z1198174423 [0,2,0,0,0,0|0,1,1]=4 183 B7R0.11 CC(C)(CO)CCN Z2234185673 [0,2,0,0,0,0|0,1,0]=3 184 B7R0.11 CC(O)(CO)CCO Z1238572721 [0,2,0,0,0,0|1,1,0]=4 185 B7R0.11 CCC(C)(C)CCN Z2724442932 [0,2,0,0,0,0|0,1,0]=3 186 B7R0.11 CCC(C)(C)CCO Z1198160090 [0,2,0,0,0,0|0,1,0]=3 187 B7R0.11 CCC(C)(N)COC Z4185518785 [0,2,0,0,0,0|1,1,0]=4 188 B7R0.11 CCCC(C)(N)CO Z734150846 [0,2,0,0,0,0|1,1,0]=4 189 B7R0.11 CCNC(C)(C)CO Z286489718 [0,2,0,0,0,0|0,1,0]=3 190 B7R0.11 CCOC(C)(C)CO Z1251352968 [0,2,0,0,0,0|0,1,0]=3 191 B7R0.11 CNC(C)(C)COC Z1093758072 [0,2,0,0,0,0|0,1,0]=3 192 B7R0.11 CNCC(C)(C)CO Z1198235262 [0,2,0,0,0,0|0,1,0]=3 193 B7R0.11 CNCC(C)(C)NC Z4308916979 [0,2,0,0,0,0|0,1,0]=3 194 B7R0.11 COC(C)(C)CCN Z2739025483 [0,2,0,0,0,0|0,1,0]=3 195 B7R0.11 COCC(C)(C)C#N Z1255429538 [0,2,0,0,0,0|0,1,1]=4 196 B7R0.11 COCC(C)(C)CN Z2188171555 [0,2,0,0,0,0|0,1,0]=3 197 B7R0.11 COCC(C)(C)CO Z1198238137 [0,2,0,0,0,0|0,1,0]=3 198 B7R0.11 COCC(C)(N)CN Z992447310 [0,2,0,0,0,0|1,1,0]=4 199 B7R0.11 COCC(C)(N)CO Z992449368 [0,2,0,0,0,0|1,1,0]=4 200 B7R0.11 COCC(C)(O)CN Z992449016 [0,2,0,0,0,0|1,1,0]=4 201 B7R0.11 CSCC(C)(O)CN Z1235968368 [0,2,0,0,0,0|1,1,0]=4 202 B7R0.14 C#CC(N)C(C)(C)C Z2082999410 [0,2,0,0,0,0|0,1,1]=4 203 B7R0.14 C=CC(O)C(C)(C)C Z1262397707 [0,2,0,0,0,0|0,1,1]=4 204 B7R0.14 CC(C#N)C(C)(C)C Z415654756 [0,2,0,0,0,0|0,1,0]=3 205 B7R0.14 CC(C)(C)C(=O)CN Z56800493 [0,2,0,0,0,0|0,1,1]=4 206 B7R0.14 CC(C)(C)C(N)C#N Z803055956 [0,2,0,0,0,0|0,1,1]=4 207 B7R0.14 CC(C)(C)C(N)CN Z1992316411 [0,2,0,0,0,0|0,1,0]=3 208 B7R0.14 CC(C)(C)C(N)CO Z2004547930 [0,2,0,0,0,0|0,1,0]=3 209 B7R0.14 CC(C)(C)C(O)CN Z803056426 [0,2,0,0,0,0|0,1,0]=3 210 B7R0.14 CCC(N)C(C)(C)O Z2216302967 [0,2,0,0,0,0|1,1,0]=4 211 B7R0.14 CN(N=O)C(C)(C)C Z1725963468 [0,2,0,0,0,0|1,1,0]=4 212 B7R0.14 CNC(C)C(C)(C)C Z335451384 [0,2,0,0,0,0|0,1,0]=3 213 B7R0.13 CC(=O)C(C)(C)CO Z1216812592 [0,2,0,0,0,0|0,1,1]=4 214 B7R0.13 CC(C)(CN)C(F)F Z2681252558 [0,2,0,0,0,0|1,1,0]=4 215 B7R0.13 CC(C)C(C)(C)CN Z1770193479 [0,2,0,0,0,0|0,1,0]=3 216 B7R0.13 CC(C)C(C)(N)CO Z2160887261 [0,2,0,0,0,0|1,1,0]=4 217 B7R0.13 CC(C)C(C)(O)CN Z419085036 [0,2,0,0,0,0|1,1,0]=4 218 B7R0.13 CC(O)C(C)(O)CO Z1896353165 [0,2,0,0,0,0|1,1,0]=4 219 B7R0.13 CCC(C)(C)C(=O)N Z995039228 [0,2,0,0,0,0|0,1,1]=4 220 B7R0.13 CCC(C)(C)C(=O)O Z995036360 [0,2,0,0,0,0|0,1,1]=4 221 B7R0.13 CCC(C)(C)C(C)C Z1198148974 [0,2,0,0,0,0|0,1,0]=3 222 B7R0.13 CCC(C)(C)C(C)N Z1509089498 [0,2,0,0,0,0|0,1,0]=3 223 B7R0.13 COC(C)(C)C(=O)C Z1216835214 [0,2,0,0,0,0|0,1,1]=4 224 B7R0.13 COC(C)(C)C(C)N Z2831701922 [0,2,0,0,0,0|0,1,0]=3 225 B7R0.17 CC(C)(C)C(C)(C)O Z56762576 [0,2,0,0,0,0|0,1,0]=3 226 B7R0.17 CC(C)(C)S(=O)(=O)C Z1726051877 [0,2,0,0,0,0|1,1,0]=4 227 B7R0.17 CC(C)(N)C(C)(C)N Z3013932182 [0,2,0,0,0,0|1,1,0]=4 228 B7R0.17 CC(C)(N)C(C)(C)O Z2738358101 [0,2,0,0,0,0|1,1,0]=4 229 B7R0.17 CC(C)(N)C(C)(F)F Z2469998596 [0,2,0,0,0,0|1,1,0]=4 230 B7R0.17 CC(C)(O)C(C)(C)O Z382716052 [0,2,0,0,0,0|1,1,0]=4 231 B7R0.18 CC(CN)(CN)CN Z3025090007 [0,2,0,0,0,0|1,1,0]=4 232 B7R0.18 CC(CO)(CO)CO Z299622542 [0,2,0,0,0,0|1,1,0]=4 233 B7R0.18 CCC(C)(C#N)CC Z1201618418 [0,2,0,0,0,0|0,1,1]=4 234 B7R0.18 CCC(C)(C#N)OC Z1270207053 [0,2,0,0,0,0|0,1,1]=4 235 B7R0.18 CCC(C)(CC)CN Z2941505587 [0,2,0,0,0,0|0,1,0]=3 236 B7R0.18 CCC(C)(CN)CO Z1203583788 [0,2,0,0,0,0|0,1,0]=3 237 B7R0.18 CCC(N)(CC)CO Z734151048 [0,2,0,0,0,0|1,1,0]=4 238 B7R0.18 CCC(O)(CC)CC Z449374516 [0,2,0,0,0,0|1,1,0]=4 239 B7R0.18 CCC(O)(CC)CN Z419084794 [0,2,0,0,0,0|1,1,0]=4 240 B5R1.2 NC1CCC1 Z1266823158 [1,0,0,1,0,0|1,1,0]=4 241 B5R1.3 CNC1CC1 Z138412880 [1,0,0,1,0,0|1,1,0]=4 242 B5R1.3 OCC1CC1 Z104479000 [1,0,0,1,0,0|1,1,0]=4 243 B5R1.4 CC1CC1N Z406520774 [1,0,0,1,0,0|1,1,0]=4 244 B5R1.4 C[C@@H]1C[C@H]1N Z993905302 [1,0,0,1,0,0|1,1,0]=4 245 B7R1.14 CC1(CCCC1)O Z449370856 [0,1,0,1,0,0|1,1,0]=4 246 B7R1.14 CC1(CCCN1)C Z1259335892 [0,1,0,1,0,0|0,1,0]=3 247 B7R1.14 CC1(CCNC1)C Z1270207926 [0,1,0,1,0,0|0,1,0]=3 248 B7R1.14 CC1(CCNC1)O Z1139194384 [0,1,0,1,0,0|1,1,0]=4 249 B7R1.14 CC1(CCOC1)N Z1895741238 [0,1,0,1,0,0|1,1,0]=4 250 B7R1.14 CC1(CCSC1)N Z4990294346 [0,1,0,1,0,0|1,1,0]=4 251 B7R1.14 CC1(CCSC1)O Z1359841674 [0,1,0,1,0,0|1,1,0]=4 252 B7R1.16 CC1(CC(=O)C1)C Z1386602397 [0,1,0,1,0,0|0,1,1]=4 253 B7R1.16 CC1(CC(C1)O)N Z1618150088 [0,1,0,1,0,0|1,1,0]=4 254 B7R1.16 CC1CC(C1)(C)N Z3034505681 [0,1,0,1,0,0|1,1,0]=4 255 B7R1.16 CC1CC(N1)(C)C Z803145478 [0,1,0,1,0,0|0,1,0]=3 256 B7R1.16 CN1CC(C1)(C)N Z1945700468 [0,1,0,1,0,0|1,1,0]=4 257 B7R1.16 C[C@@]1(C[C@@H](C1)N)F Z2740389572 [0,1,0,1,0,0|1,1,0]=4 258 B7R1.21 CC1(CC1)CC=O Z3247248393 [0,1,0,1,0,0|0,1,1]=4 259 B7R1.21 CC1(CC1)CCO Z1813155991 [0,1,0,1,0,0|0,1,0]=3 260 B7R1.21 CC1(CO1)CCO Z1486026620 [0,1,0,1,0,0|1,1,0]=4 261 B7R1.21 CCCC1(CC1)N Z3072982019 [0,1,0,1,0,0|1,1,0]=4 262 B7R1.21 CCCC1(CO1)C Z1020679916 [0,1,0,1,0,0|1,1,0]=4 263 B7R1.21 CNCC1(CC1)F Z3243520361 [0,1,0,1,0,0|1,1,0]=4 264 B7R1.21 CNCC1(CC1)N Z5185499776 [0,1,0,1,0,0|1,1,0]=4 265 B7R1.21 COCC1(CC1)N Z2301519229 [0,1,0,1,0,0|1,1,0]=4 266 B7R1.21 COCC1(CO1)C Z1020679792 [0,1,0,1,0,0|1,1,0]=4 267 B7R1.21 NC1(CC1)CCO Z2211231673 [0,1,0,1,0,0|1,1,0]=4 268 B7R1.23 CC1(CC1C#N)C Z756145422 [0,1,0,1,0,0|0,1,1]=4 269 B7R1.23 CC1(CC1C=O)C Z1511745659 [0,1,0,1,0,0|0,1,1]=4 270 B7R1.23 CC1(CC1CN)C Z1267773739 [0,1,0,1,0,0|0,1,0]=3 271 B7R1.23 CC1(CC1CO)C Z1198310193 [0,1,0,1,0,0|0,1,0]=3 272 B7R1.23 CC1(C[C@@H]1C=O)C Z1511802856 [0,1,0,1,0,0|0,1,1]=4 273 B7R1.23 CC1(OC1CCl)C Z1205657657 [0,1,0,1,0,0|1,1,0]=4 274 B7R1.23 CC1(OC1CO)C Z1486035926 [0,1,0,1,0,0|1,1,0]=4 275 B7R1.23 CC1(O[C@@H]1CO)C Z1896550092 [0,1,0,1,0,0|1,1,0]=4 276 B7R1.23 CC1(O[C@H]1CO)C Z1896541488 [0,1,0,1,0,0|1,1,0]=4 277 B7R1.23 CNC1CC1(C)C Z1895742049 [0,1,0,1,0,0|0,1,0]=3 278 B7R1.26 CC(C)(C)C1CO1 Z278165182 [0,1,0,1,0,0|0,1,0]=3 279 B7R1.26 CC(C)(C)[C@@H]1CO1 Z1575341657 [0,1,0,1,0,0|0,1,0]=3 280 B7R1.26 CC(C)(O)C1CC1 Z449374598 [0,1,0,1,0,0|1,1,0]=4 281 B7R1.26 CC(C)(O)C1CO1 Z1504677029 [0,1,0,1,0,0|1,1,0]=4 282 B7R1.17 CC1(CCC1=O)C Z1416192672 [0,1,0,1,0,0|0,1,1]=4 283 B7R1.17 CC1(CCC1N)C Z1813195196 [0,1,0,1,0,0|0,1,0]=3 284 B7R1.19 CC(=O)C1(CC1)C Z56969338 [0,1,0,1,0,0|0,1,1]=4 285 B7R1.19 CC(C)C1(CC1)N Z2216303073 [0,1,0,1,0,0|1,1,0]=4 286 B7R1.19 CC(C)C1(CO1)C Z1020679970 [0,1,0,1,0,0|1,1,0]=4 287 B7R1.19 CC(N)C1(CC1)F Z1510158579 [0,1,0,1,0,0|1,1,0]=4 288 B7R1.32 CC1(CC1(C)N)C Z2528325599 [0,1,0,1,0,0|0,1,0]=3 289 B7R1.25 CC1(CCC1)C#N Z1255381956 [0,1,0,1,0,0|0,1,1]=4 290 B7R1.25 CC1(CCC1)C=O Z1198728427 [0,1,0,1,0,0|0,1,1]=4 291 B7R1.25 CC1(CCC1)CN Z1357823912 [0,1,0,1,0,0|0,1,0]=3 292 B7R1.25 CCC1(CCC1)N Z1333043532 [0,1,0,1,0,0|1,1,0]=4 293 B7R1.25 CNC1(CCC1)C Z1255443634 [0,1,0,1,0,0|0,1,0]=3 294 B7R1.25 COC1(CNC1)C Z1198311233 [0,1,0,1,0,0|1,1,0]=4 295 B7R1.25 NC1(CCC1)CO Z1203581511 [0,1,0,1,0,0|1,1,0]=4 296 B7R1.25 NCC1(CCC1)Cl Z4313035783 [0,1,0,1,0,0|1,1,0]=4 297 B7R1.25 NCC1(CCC1)F Z1862011799 [0,1,0,1,0,0|1,1,0]=4 298 B7R1.25 NCC1(CCC1)O Z419084774 [0,1,0,1,0,0|1,1,0]=4 299 B7R1.25 OCC1(CCC1)O Z1537124745 [0,1,0,1,0,0|1,1,0]=4 300 B7R1.27 CC1CC1(C)C=O Z1513984691 [0,1,0,1,0,0|0,1,1]=4 301 B7R1.29 CCC1(CC1)C=O Z1511776317 [0,1,0,1,0,0|0,1,1]=4 302 B7R1.29 CCC1(CC1)CN Z1354487558 [0,1,0,1,0,0|0,1,0]=3 303 B7R1.29 CCC1(CC1)NC Z2310673213 [0,1,0,1,0,0|0,1,0]=3 304 B7R1.29 CCC1(CO1)CC Z1020679898 [0,1,0,1,0,0|1,1,0]=4 305 B7R1.29 CNC1(CC1)CO Z2065788496 [0,1,0,1,0,0|1,1,0]=4 306 B7R1.29 COC1(CC1)CN Z3681227829 [0,1,0,1,0,0|1,1,0]=4 307 B7R1.29 CSC1(CC1)CN Z1258769800 [0,1,0,1,0,0|1,1,0]=4 308 B7R1.29 NCC1(CC1)CF Z2096087252 [0,1,0,1,0,0|1,1,0]=4 309 B7R1.29 NCC1(CC1)CO Z945434614 [0,1,0,1,0,0|1,1,0]=4 310 B7R1.29 OCC1(CC1)CO Z1255465434 [0,1,0,1,0,0|1,1,0]=4 311 B7R2.3 NC1CC12CC2 Z2379087701 [0,0,0,2,0,0|1,1,0]=4 312 B7R2.16 C1CC2(C1)CO2 Z1198320605 [0,0,0,2,0,0|1,1,0]=4