0 B5R0.4 C#CC(C)(C)O Z1245735173 [0,0,0,0,0,0|1,0,0]=1 1 B5R0.4 C=CC(C)(C)N Z2940715337 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.4 CC(C)(C)C#N Z278179882 [0,0,0,0,0,0|1,0,0]=1 3 B5R0.4 CC(C)(C)CN Z291234094 [0,0,0,0,0,0|1,0,2]=3 4 B5R0.4 CC(C)(C)CO Z397587176 [0,0,0,0,0,0|2,0,1]=3 5 B5R0.4 CC(C)(F)C#N Z1198369138 [0,0,0,0,0,0|1,0,0]=1 6 B5R0.4 CC(C)(N)C#N Z57176535 [0,0,0,0,0,0|1,0,0]=1 7 B5R0.4 CC(C)(N)CN Z1266854946 [0,0,0,0,0,0|1,0,2]=3 8 B5R0.4 CC(C)(O)C#N Z104473082 [0,0,0,0,0,0|0,0,0]=0 9 B5R0.4 CC(C)(O)CO Z600454414 [0,0,0,0,0,0|1,0,1]=2 10 B5R0.4 CC(F)(F)CN Z1201623622 [0,0,0,0,0,0|2,0,2]=4 11 B5R0.4 CCC(C)(C)N Z104480062 [0,0,0,0,0,0|2,0,1]=3 12 B5R0.4 CCC(C)(C)O Z104473496 [0,0,0,0,0,0|1,0,1]=2 13 B4R0.1 C#CC(=O)O Z104493798 [1,0,0,0,0,0|2,0,1]=4 14 B4R0.1 C#CC(C)O Z1251193370 [1,0,0,0,0,0|1,0,0]=2 15 B4R0.1 C=CC(C)N Z1446855743 [1,0,0,0,0,0|2,0,1]=4 16 B4R0.1 CC(C)NO Z1198161074 [1,0,0,0,0,0|2,0,0]=3 17 B4R0.1 CC(F)CN Z2941405027 [1,0,0,0,0,0|1,0,2]=4 18 B4R0.1 CC(N)CF Z2096088772 [1,0,0,0,0,0|2,0,1]=4 19 B4R0.1 CC(N)CN Z104474490 [1,0,0,0,0,0|1,0,2]=4 20 B4R0.1 CC(O)CN Z104477092 [1,0,0,0,0,0|0,0,2]=3 21 B4R0.1 CC(O)CO Z106938868 [1,0,0,0,0,0|1,0,1]=3 22 B4R0.1 CCC(C)N Z104472234 [1,0,0,0,0,0|2,0,1]=4 23 B4R0.1 CC[C@@H](C)O Z1203162396 [1,0,0,0,0,0|1,0,1]=3 24 B4R0.1 CN(C)C#N Z1255394988 [1,0,0,0,0,0|1,0,0]=2 25 B4R0.1 CN(C)N=O Z1255485177 [1,0,0,0,0,0|3,0,0]=4 26 B4R0.1 C[C@@H](N)CN Z3234812272 [1,0,0,0,0,0|1,0,2]=4 27 B4R0.1 C[C@@H](N)CO Z346076140 [1,0,0,0,0,0|2,0,1]=4 28 B4R0.1 C[C@@H](O)CO Z1255486379 [1,0,0,0,0,0|1,0,1]=3 29 B4R0.1 C[C@H](N)CN Z1741977335 [1,0,0,0,0,0|1,0,2]=4 30 B4R0.1 C[C@H](O)CN Z1203577967 [1,0,0,0,0,0|0,0,2]=3 31 B4R0.1 C[C@H](O)CO Z1255449993 [1,0,0,0,0,0|1,0,1]=3 32 B4R0.3 CC(C)(C)Cl Z281778956 [1,0,0,0,0,0|1,0,1]=3 33 B4R0.3 CS(=O)(=O)C Z417007936 [1,0,0,0,0,0|2,0,1]=4 34 B4R0.3 CS(=O)(=O)O Z281776238 [1,0,0,0,0,0|3,0,0]=4 35 B6R0.5 C#CCC(C)(C)N Z3210767531 [0,1,0,0,0,0|2,0,0]=3 36 B6R0.5 C#CCC(C)(C)O Z1098923701 [0,1,0,0,0,0|1,0,0]=2 37 B6R0.5 CC#CC(C)(C)N Z1203578926 [0,1,0,0,0,0|2,0,0]=3 38 B6R0.5 CC(C)(F)CCN Z2515207542 [0,1,0,0,0,0|1,0,2]=4 39 B6R0.5 CC(C)(N)/C=C/Cl Z2827897660 [0,1,0,0,0,0|2,0,1]=4 40 B6R0.5 CC(C)(N)CCF Z4297373689 [0,1,0,0,0,0|2,0,1]=4 41 B6R0.5 CC(C)(N)CCN Z2218555716 [0,1,0,0,0,0|1,0,2]=4 42 B6R0.5 CC(C)(N)CCO Z1198183553 [0,1,0,0,0,0|2,0,1]=4 43 B6R0.5 CC(C)(O)CC#N Z1182322175 [0,1,0,0,0,0|0,0,0]=1 44 B6R0.5 CCCC(C)(C)N Z1262250787 [0,1,0,0,0,0|2,0,1]=4 45 B6R0.5 CCCC(C)(C)O Z449374450 [0,1,0,0,0,0|1,0,1]=3 46 B6R0.5 CNCC(C)(C)C Z992717054 [0,1,0,0,0,0|1,0,2]=4 47 B6R0.5 CNCC(C)(C)O Z600453550 [0,1,0,0,0,0|0,0,2]=3 48 B6R0.5 COCC(C)(C)N Z1258578421 [0,1,0,0,0,0|2,0,1]=4 49 B6R0.5 CS(=O)(=O)CC#N Z55928823 [0,1,0,0,0,0|2,0,1]=4 50 B6R0.5 N#CCP(=O)(O)O Z3025383580 [0,1,0,0,0,0|3,0,0]=4 51 B6R0.7 CC(=O)C(C)(C)O Z939661728 [0,1,0,0,0,0|1,0,1]=3 52 B6R0.7 CC(C)(Br)C(=O)N Z1255458262 [0,1,0,0,0,0|1,0,2]=4 53 B6R0.7 CC(C)(C)C(=N)N Z56771178 [0,1,0,0,0,0|1,0,2]=4 54 B6R0.7 CC(C)(C)C(=O)N Z56895677 [0,1,0,0,0,0|1,0,2]=4 55 B6R0.7 CC(C)(C)C(=S)N Z278180216 [0,1,0,0,0,0|1,0,2]=4 56 B6R0.7 CC(C)(F)C(=O)O Z1201622349 [0,1,0,0,0,0|2,0,1]=4 57 B6R0.7 CC(C)(N)C(=O)N Z752371206 [0,1,0,0,0,0|1,0,2]=4 58 B6R0.7 CC(C)(N)C(=O)O Z317024776 [0,1,0,0,0,0|2,0,1]=4 59 B6R0.7 CC(C)(O)C(=N)N Z3244745533 [0,1,0,0,0,0|0,0,2]=3 60 B6R0.7 CC(C)(O)C(F)F Z1413814779 [0,1,0,0,0,0|1,0,1]=3 61 B6R0.7 CC(C)C(C)(C)N Z1270446314 [0,1,0,0,0,0|2,0,1]=4 62 B6R0.7 CC(N)C(C)(C)F Z3487099771 [0,1,0,0,0,0|1,0,2]=4 63 B6R0.7 CC(O)C(C)(C)N Z3688848535 [0,1,0,0,0,0|2,0,1]=4 64 B6R0.8 C#CC(C)(C)NC Z5942912613 [0,1,0,0,0,0|2,0,0]=3 65 B6R0.8 C#CC(C)(C)OC Z1198169184 [0,1,0,0,0,0|1,0,0]=2 66 B6R0.8 C#CC(C)(O)CC Z1251192957 [0,1,0,0,0,0|1,0,0]=2 67 B6R0.8 C=CC(C)(N)CC Z3042074270 [0,1,0,0,0,0|2,0,1]=4 68 B6R0.8 CC(C)(CN)CO Z3247605488 [0,1,0,0,0,0|0,0,2]=3 69 B6R0.8 CC(N)(C#N)CO Z2082998957 [0,1,0,0,0,0|1,0,0]=2 70 B6R0.8 CCC(C)(C)C#N Z1079179196 [0,1,0,0,0,0|1,0,0]=2 71 B6R0.8 CCC(C)(C)CO Z995039230 [0,1,0,0,0,0|1,0,1]=3 72 B6R0.8 CCC(C)(C)NC Z335250498 [0,1,0,0,0,0|2,0,1]=4 73 B6R0.8 CCC(C)(N)CC Z1267881628 [0,1,0,0,0,0|2,0,1]=4 74 B6R0.8 CCC(C)(N)CN Z425861002 [0,1,0,0,0,0|1,0,2]=4 75 B6R0.8 CCC(C)(N)CO Z734150850 [0,1,0,0,0,0|2,0,1]=4 76 B6R0.8 CCC(C)(O)CC Z449374480 [0,1,0,0,0,0|1,0,1]=3 77 B6R0.8 CCC(C)(O)CN Z419085064 [0,1,0,0,0,0|0,0,2]=3 78 B6R0.8 CNC(C)(C)C#N Z56347264 [0,1,0,0,0,0|1,0,0]=2 79 B6R0.8 CNC(C)(C)CN Z1511495256 [0,1,0,0,0,0|1,0,2]=4 80 B6R0.8 CNC(C)(C)CO Z425727892 [0,1,0,0,0,0|2,0,0]=3 81 B6R0.8 COC(C)(C)CN Z1266933932 [0,1,0,0,0,0|0,0,2]=3 82 B6R0.8 COC(C)(C)CO Z1255430497 [0,1,0,0,0,0|1,0,1]=3 83 B6R0.8 CSC(C)(C)C#N Z1258769726 [0,1,0,0,0,0|0,1,0]=2 84 B6R0.8 CSC(C)(C)CN Z1203639115 [0,1,0,0,0,0|0,1,2]=4 85 B6R1.7 C#CC1(CC1)C Z1861999732 [0,0,0,1,0,0|2,0,0]=3 86 B6R1.7 C#CC1(CC1)N Z1203653659 [0,0,0,1,0,0|2,0,0]=3 87 B6R1.7 CC1(CC1)C=O Z1263714317 [0,0,0,1,0,0|2,0,1]=4 88 B6R1.7 CC1(CC1)CN Z1335657802 [0,0,0,1,0,0|1,0,2]=4 89 B6R1.7 CC1(CO1)CCl Z1201618277 [0,0,0,1,0,0|1,0,1]=3 90 B6R1.7 CCC1(CC1)N Z2234631229 [0,0,0,1,0,0|2,0,1]=4 91 B6R1.7 CCC1(CO1)C Z1020679924 [0,0,0,1,0,0|1,0,1]=3 92 B6R1.7 CNC1(CC1)C Z2310723089 [0,0,0,1,0,0|3,0,0]=4 93 B6R1.7 N#CC1(CC1)N Z1741972043 [0,0,0,1,0,0|1,0,0]=2 94 B6R1.7 NC1(CC1)CO Z1741975623 [0,0,0,1,0,0|2,0,1]=4 95 B6R1.9 CC1(CC1N)C Z1259335876 [0,0,0,1,0,0|1,0,2]=4 96 B6R1.9 CC1OC1(C)C Z1255419606 [0,0,0,1,0,0|1,0,1]=3 97 B6R1.10 CC1(CCC1)N Z1741969618 [0,0,0,1,0,0|2,0,1]=4 98 B6R1.10 CC1(CCC1)O Z1241455013 [0,0,0,1,0,0|1,0,1]=3 99 B6R1.10 CC1(CCN1)C Z1198749898 [0,0,0,1,0,0|2,0,1]=4 100 B6R1.10 CC1(CNC1)C Z2142036999 [0,0,0,1,0,0|1,0,2]=4 101 B6R1.10 CC1(CNC1)F Z1964347522 [0,0,0,1,0,0|1,0,2]=4 102 B3R0.1 C=CCO Z104473976 [2,0,0,0,0,0|1,0,1]=4 103 B3R0.1 N#CCN Z1210869368 [2,0,0,0,0,0|1,0,0]=3 104 B3R0.1 NCCO Z104473700 [2,0,0,0,0,0|0,0,2]=4 105 B3R0.1 OCCS Z104473584 [2,0,0,0,0,0|1,0,1]=4 106 B3R0.2 CC(=O)O Z1954803614 [2,0,0,0,0,0|1,0,1]=4 107 B5R0.1 C#CCC(C)N Z3490223481 [1,1,0,0,0,0|2,0,0]=4 108 B5R0.1 C#CCC(C)O Z969111576 [1,1,0,0,0,0|1,0,0]=3 109 B5R0.1 C/C(=C\C#N)/[O-] Z90662985 [1,1,0,0,0,0|0,0,2]=4 110 B5R0.1 C/C(=N/C#N)/N Z2573128414 [1,1,0,0,0,0|1,0,1]=4 111 B5R0.1 CC(=CC#N)C Z851014248 [1,1,0,0,0,0|0,0,1]=3 112 B5R0.1 CC(C)CC#N Z104473272 [1,1,0,0,0,0|0,0,0]=2 113 B5R0.1 CC(C)CCO Z104473558 [1,1,0,0,0,0|1,0,1]=4 114 B5R0.1 CC(C)N=C=S Z56964589 [1,1,0,0,0,0|1,0,1]=4 115 B5R0.1 CC(C)NC=O Z1201617634 [1,1,0,0,0,0|1,0,1]=4 116 B5R0.1 CC(N)CC#N Z1267773800 [1,1,0,0,0,0|1,0,0]=3 117 B5R0.1 CC(O)CC#N Z847151284 [1,1,0,0,0,0|0,0,0]=2 118 B5R0.1 CC(O)CCN Z802904114 [1,1,0,0,0,0|0,0,2]=4 119 B5R0.1 CC(O)CCO Z104473530 [1,1,0,0,0,0|1,0,1]=4 120 B5R0.1 CNCC(C)C Z951367674 [1,1,0,0,0,0|0,0,2]=4 121 B5R0.1 CNCC(C)O Z138692700 [1,1,0,0,0,0|0,0,2]=4 122 B5R0.1 COCC(C)O Z825742124 [1,1,0,0,0,0|1,0,1]=4 123 B5R0.1 CS(=O)CC#N Z1198176972 [1,1,0,0,0,0|1,0,1]=4 124 B5R0.1 CSCC(C)O Z732208306 [1,1,0,0,0,0|1,0,1]=4 125 B5R0.1 C[C@@H](O)CCN Z1860991703 [1,1,0,0,0,0|0,0,2]=4 126 B5R0.1 N#CCC(=O)O Z104476112 [1,1,0,0,0,0|1,0,1]=4 127 B5R0.3 C#CC(N)CO Z2235790715 [1,1,0,0,0,0|2,0,0]=4 128 B5R0.3 CC(C#N)C#N Z844634884 [1,1,0,0,0,0|0,0,1]=3 129 B5R0.3 CC(C#N)CO Z406338220 [1,1,0,0,0,0|0,0,0]=2 130 B5R0.3 CC(CN)CN Z951173758 [1,1,0,0,0,0|0,0,2]=4 131 B5R0.3 CC(CN)CO Z406342068 [1,1,0,0,0,0|0,0,2]=4 132 B5R0.3 CC(CO)CS Z1262475362 [1,1,0,0,0,0|1,0,1]=4 133 B5R0.3 CCC(C)CN Z2350903977 [1,1,0,0,0,0|0,0,2]=4 134 B5R0.3 CCC(C)NC Z594038230 [1,1,0,0,0,0|1,0,1]=4 135 B5R0.3 CCC(N)C#N Z445129502 [1,1,0,0,0,0|1,0,0]=3 136 B5R0.3 CCC(O)C#N Z419078094 [1,1,0,0,0,0|0,0,0]=2 137 B5R0.3 CCC(O)CN Z419084746 [1,1,0,0,0,0|0,0,2]=4 138 B5R0.3 CCC(O)CO Z600450538 [1,1,0,0,0,0|1,0,1]=4 139 B5R0.3 CC[C@@H](N)C#N Z1203638467 [1,1,0,0,0,0|1,0,0]=3 140 B5R0.3 CNC(C)CN Z941154208 [1,1,0,0,0,0|0,0,2]=4 141 B5R0.3 COC(C)CN Z1795817756 [1,1,0,0,0,0|0,0,2]=4 142 B5R0.3 COC(C)CO Z1198150719 [1,1,0,0,0,0|1,0,1]=4 143 B5R0.3 CSC(C)CN Z844632970 [1,1,0,0,0,0|0,0,2]=4 144 B5R0.3 CSC(C)CO Z1273053291 [1,1,0,0,0,0|1,0,1]=4 145 B5R0.3 N#CC(N)CO Z2301438409 [1,1,0,0,0,0|1,0,0]=3 146 B5R0.3 NCC(O)CF Z2311274712 [1,1,0,0,0,0|0,0,2]=4 147 B5R0.3 OCC(O)CO Z104473548 [1,1,0,0,0,0|1,0,1]=4 148 B5R0.3 OCC(O)CS Z1255382958 [1,1,0,0,0,0|1,0,1]=4 149 B5R0.5 CC(C)C(=N)N Z381357616 [1,1,0,0,0,0|0,0,2]=4 150 B5R0.5 CC(C)C(=O)N Z57046209 [1,1,0,0,0,0|0,0,2]=4 151 B5R0.5 CC(C)C(=O)O Z104473380 [1,1,0,0,0,0|1,0,1]=4 152 B5R0.5 CC(C)[N+](=O)[O-] Z104474978 [1,1,0,0,0,0|2,0,0]=4 153 B5R0.5 CC(O)C(=N)N Z2216711526 [1,1,0,0,0,0|0,0,2]=4 154 B5R0.5 CC(O)C(=O)N Z57206008 [1,1,0,0,0,0|0,0,2]=4 155 B5R0.5 CC(O)C(C)O Z104473532 [1,1,0,0,0,0|1,0,1]=4 156 B7R0.8 C#CC#CC(C)(C)N Z4525934441 [0,2,0,0,0,0|2,0,0]=4 157 B7R0.8 CC(C)(C)CCC#N Z819990894 [0,2,0,0,0,0|1,0,0]=3 158 B7R0.8 CC(C)(O)CCCO Z1255438724 [0,2,0,0,0,0|1,0,1]=4 159 B7R0.8 CCNCC(C)(C)O Z600453556 [0,2,0,0,0,0|0,0,2]=4 160 B7R0.9 CC(C)(O)CC(=N)N Z3804955217 [0,2,0,0,0,0|0,0,2]=4 161 B7R0.9 CC(C)(O)CC(=O)O Z982131798 [0,2,0,0,0,0|1,0,1]=4 162 B7R0.9 CC(N)CC(C)(C)O Z2235409221 [0,2,0,0,0,0|0,0,2]=4 163 B7R0.9 CC(O)CC(C)(C)O Z1255485267 [0,2,0,0,0,0|1,0,1]=4 164 B7R0.9 CN(C)CC(C)(C)O Z2235790912 [0,2,0,0,0,0|0,0,2]=4 165 B7R0.11 C#CCC(C)(C)CN Z2786076871 [0,2,0,0,0,0|2,0,0]=4 166 B7R0.11 C#CCC(C)(O)CC Z1098923702 [0,2,0,0,0,0|1,0,0]=3 167 B7R0.11 C=CCC(C)(C)CO Z1255384026 [0,2,0,0,0,0|1,0,1]=4 168 B7R0.11 CC(C)(CN)CCO Z1203583786 [0,2,0,0,0,0|0,0,2]=4 169 B7R0.11 CC(C)(CO)CC#N Z1198174423 [0,2,0,0,0,0|0,0,0]=2 170 B7R0.11 CC(C)(CO)CCN Z2234185673 [0,2,0,0,0,0|0,0,2]=4 171 B7R0.11 CC(O)(CO)CCO Z1238572721 [0,2,0,0,0,0|1,0,1]=4 172 B7R0.11 CCC(C)(C)CCO Z1198160090 [0,2,0,0,0,0|1,0,1]=4 173 B7R0.11 CCNC(C)(C)CO Z286489718 [0,2,0,0,0,0|1,0,1]=4 174 B7R0.11 CCOC(C)(C)CO Z1251352968 [0,2,0,0,0,0|1,0,1]=4 175 B7R0.11 CNC(C)(C)COC Z1093758072 [0,2,0,0,0,0|2,0,0]=4 176 B7R0.11 CNCC(C)(C)CO Z1198235262 [0,2,0,0,0,0|0,0,2]=4 177 B7R0.11 COC(C)(C)CCN Z2739025483 [0,2,0,0,0,0|0,0,2]=4 178 B7R0.11 COCC(C)(C)C#N Z1255429538 [0,2,0,0,0,0|0,0,0]=2 179 B7R0.11 COCC(C)(C)CN Z2188171555 [0,2,0,0,0,0|0,0,2]=4 180 B7R0.11 COCC(C)(C)CO Z1198238137 [0,2,0,0,0,0|1,0,1]=4 181 B7R0.11 COCC(C)(N)C#N Z898336310 [0,2,0,0,0,0|1,0,0]=3 182 B7R0.11 COCC(C)(O)CN Z992449016 [0,2,0,0,0,0|0,0,2]=4 183 B7R0.11 CSCC(C)(O)CN Z1235968368 [0,2,0,0,0,0|0,0,2]=4 184 B7R0.14 C#CC(N)C(C)(C)C Z2082999410 [0,2,0,0,0,0|2,0,0]=4 185 B7R0.14 CC(C#N)C(C)(C)C Z415654756 [0,2,0,0,0,0|1,0,0]=3 186 B7R0.14 CC(C)(C)C(N)C#N Z803055956 [0,2,0,0,0,0|1,0,0]=3 187 B7R0.14 CCC(N)C(C)(C)O Z2216302967 [0,2,0,0,0,0|0,0,2]=4 188 B7R0.13 CC(=O)C(C)(C)CO Z1216812592 [0,2,0,0,0,0|1,0,1]=4 189 B7R0.13 CC(C)(C#N)C(=O)O Z426041322 [0,2,0,0,0,0|0,0,0]=2 190 B7R0.13 CC(C)(CF)C(=O)O Z1205495490 [0,2,0,0,0,0|1,0,1]=4 191 B7R0.13 CC(C)(CN)C(=O)O Z2235387237 [0,2,0,0,0,0|0,0,2]=4 192 B7R0.13 CC(C)(CO)C(=O)O Z997726628 [0,2,0,0,0,0|1,0,1]=4 193 B7R0.13 CC(C)C(C)(N)C#N Z56943431 [0,2,0,0,0,0|1,0,0]=3 194 B7R0.13 CC(C)C(C)(O)CN Z419085036 [0,2,0,0,0,0|0,0,2]=4 195 B7R0.13 CC(O)(CO)C(=O)O Z1205493767 [0,2,0,0,0,0|1,0,1]=4 196 B7R0.13 CC(O)C(C)(O)CO Z1896353165 [0,2,0,0,0,0|1,0,1]=4 197 B7R0.13 CCC(C)(C)C(=O)O Z995036360 [0,2,0,0,0,0|1,0,1]=4 198 B7R0.13 CCC(C)(O)C(=O)O Z788000964 [0,2,0,0,0,0|1,0,1]=4 199 B7R0.13 CNC(C)(C)C(=O)O Z2381576028 [0,2,0,0,0,0|2,0,0]=4 200 B7R0.13 COC(C)(C)C(=O)C Z1216835214 [0,2,0,0,0,0|1,0,1]=4 201 B7R0.13 COC(C)(C)C(=O)O Z803492148 [0,2,0,0,0,0|1,0,1]=4 202 B7R0.13 COC(C)(C)C(C)N Z2831701922 [0,2,0,0,0,0|0,0,2]=4 203 B7R0.13 CSC(C)(C)C(=O)O Z803544000 [0,2,0,0,0,0|2,0,0]=4 204 B7R0.17 CC(C)(C)C(C)(C)O Z56762576 [0,2,0,0,0,0|1,0,1]=4 205 B7R0.17 CC(C)(N)C(C)(C)O Z2738358101 [0,2,0,0,0,0|0,0,2]=4 206 B7R0.17 CC(C)(O)C(C)(C)O Z382716052 [0,2,0,0,0,0|1,0,1]=4 207 B7R0.17 CC(C)(O)C(Cl)(Cl)Cl Z104473554 [0,2,0,0,0,0|1,0,1]=4 208 B7R0.18 C#CC(N)(CO)CO Z4890240833 [0,2,0,0,0,0|2,0,0]=4 209 B7R0.18 CC(CO)(CO)CO Z299622542 [0,2,0,0,0,0|1,0,1]=4 210 B7R0.18 CCC(C)(C#N)CC Z1201618418 [0,2,0,0,0,0|1,0,0]=3 211 B7R0.18 CCC(C)(C#N)OC Z1270207053 [0,2,0,0,0,0|0,0,0]=2 212 B7R0.18 CCC(C)(CN)CO Z1203583788 [0,2,0,0,0,0|0,0,2]=4 213 B7R0.18 CCC(N)(C#N)CC Z444311662 [0,2,0,0,0,0|1,0,0]=3 214 B7R0.18 CCC(O)(CC)CC Z449374516 [0,2,0,0,0,0|1,0,1]=4 215 B7R0.18 CCC(O)(CC)CN Z419084794 [0,2,0,0,0,0|0,0,2]=4 216 B7R0.18 NCC(O)(CO)CO Z3268384933 [0,2,0,0,0,0|0,0,2]=4 217 B5R1.2 OC1CNC1 Z1012638850 [1,0,0,1,0,0|0,0,2]=4 218 B5R1.2 OC1COC1 Z1123686553 [1,0,0,1,0,0|1,0,1]=4 219 B5R1.3 CNC1CC1 Z138412880 [1,0,0,1,0,0|2,0,0]=4 220 B5R1.3 ClCC1CO1 Z104473190 [1,0,0,1,0,0|1,0,1]=4 221 B5R1.3 N#CC1CC1 Z247612572 [1,0,0,1,0,0|0,0,0]=2 222 B5R1.3 OCC1CC1 Z104479000 [1,0,0,1,0,0|1,0,1]=4 223 B5R1.3 OCC1CO1 Z104476180 [1,0,0,1,0,0|1,0,1]=4 224 B5R1.3 OC[C@@H]1CO1 Z1222330631 [1,0,0,1,0,0|1,0,1]=4 225 B5R1.3 OC[C@H]1CO1 Z1222330633 [1,0,0,1,0,0|1,0,1]=4 226 B5R1.4 CC1CC1N Z406520774 [1,0,0,1,0,0|0,0,2]=4 227 B5R1.4 C[C@@H]1C[C@H]1N Z993905302 [1,0,0,1,0,0|0,0,2]=4 228 B7R1.14 CC1(CCCC1)O Z449370856 [0,1,0,1,0,0|1,0,1]=4 229 B7R1.14 CC1(CCNC1)O Z1139194384 [0,1,0,1,0,0|0,0,2]=4 230 B7R1.14 CC1(CCSC1)O Z1359841674 [0,1,0,1,0,0|1,0,1]=4 231 B7R1.14 CC1(CNOC1)O Z3035808330 [0,1,0,1,0,0|0,0,2]=4 232 B7R1.21 CC1(CO1)CCO Z1486026620 [0,1,0,1,0,0|1,0,1]=4 233 B7R1.21 CCCC1(CO1)C Z1020679916 [0,1,0,1,0,0|1,0,1]=4 234 B7R1.21 COCC1(CO1)C Z1020679792 [0,1,0,1,0,0|1,0,1]=4 235 B7R1.23 CC1(CC1C#N)C Z756145422 [0,1,0,1,0,0|1,0,0]=3 236 B7R1.23 CC1(OC1C#N)C Z1198150592 [0,1,0,1,0,0|0,0,0]=2 237 B7R1.23 CC1(OC1C=O)C Z1511743636 [0,1,0,1,0,0|1,0,1]=4 238 B7R1.23 CC1(OC1CCl)C Z1205657657 [0,1,0,1,0,0|1,0,1]=4 239 B7R1.23 CC1(OC1CO)C Z1486035926 [0,1,0,1,0,0|1,0,1]=4 240 B7R1.23 CC1(O[C@@H]1CO)C Z1896550092 [0,1,0,1,0,0|1,0,1]=4 241 B7R1.23 CC1(O[C@H]1CO)C Z1896541488 [0,1,0,1,0,0|1,0,1]=4 242 B7R1.26 CC(C)(O)C1CC1 Z449374598 [0,1,0,1,0,0|1,0,1]=4 243 B7R1.26 CC(C)(O)C1CO1 Z1504677029 [0,1,0,1,0,0|1,0,1]=4 244 B7R1.19 CC(=O)C1(CO1)C Z1201620091 [0,1,0,1,0,0|1,0,1]=4 245 B7R1.19 CC(C)C1(CO1)C Z1020679970 [0,1,0,1,0,0|1,0,1]=4 246 B7R1.19 O=C(O)C1(CC1)O Z216340524 [0,1,0,1,0,0|1,0,1]=4 247 B7R1.25 C#CC1(CNC1)F Z2787233214 [0,1,0,1,0,0|2,0,0]=4 248 B7R1.25 CC1(CCC1)C#N Z1255381956 [0,1,0,1,0,0|1,0,0]=3 249 B7R1.25 CC1(CNC1)C#N Z2284399027 [0,1,0,1,0,0|1,0,0]=3 250 B7R1.25 CC1(COC1)C=O Z1198234536 [0,1,0,1,0,0|1,0,1]=4 251 B7R1.25 COC1(CNC1)C Z1198311233 [0,1,0,1,0,0|0,0,2]=4 252 B7R1.25 N#CC1(CCC1)N Z406679978 [0,1,0,1,0,0|1,0,0]=3 253 B7R1.25 N#CC1(CNC1)F Z2895310394 [0,1,0,1,0,0|1,0,0]=3 254 B7R1.25 NCC1(CCC1)O Z419084774 [0,1,0,1,0,0|0,0,2]=4 255 B7R1.25 OCC1(CCC1)O Z1537124745 [0,1,0,1,0,0|1,0,1]=4 256 B7R1.29 C#CC1(CC1)NC Z5610285650 [0,1,0,1,0,0|2,0,0]=4 257 B7R1.29 CCC1(CO1)CC Z1020679898 [0,1,0,1,0,0|1,0,1]=4 258 B7R1.29 CNC1(CC1)CO Z2065788496 [0,1,0,1,0,0|2,0,0]=4 259 B7R1.29 COC1(CC1)C=O Z1511825466 [0,1,0,1,0,0|1,0,1]=4 260 B7R1.29 COC1(CC1)CN Z3681227829 [0,1,0,1,0,0|0,0,2]=4 261 B7R1.29 ClCC1(CO1)CCl Z1205657482 [0,1,0,1,0,0|1,0,1]=4 262 B7R1.29 N#CC1(CC1)C=O Z1767997246 [0,1,0,1,0,0|0,0,1]=3 263 B7R1.29 N#CC1(CC1)CN Z2418413988 [0,1,0,1,0,0|1,0,0]=3 264 B7R1.29 NCC1(CC1)CO Z945434614 [0,1,0,1,0,0|0,0,2]=4 265 B7R1.29 OCC1(CC1)CO Z1255465434 [0,1,0,1,0,0|1,0,1]=4 266 B7R2.16 C1CC2(C1)CO2 Z1198320605 [0,0,0,2,0,0|1,0,1]=4