0 B6R0.1 C#CCC(O)CN Z2491498074 [0,0,0,0,0,0|1,0,3]=4 1 B6R0.1 C=CCC(O)CC Z808662120 [0,0,0,0,0,0|0,0,4]=4 2 B6R0.1 CC(CN)CCO Z1203581915 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.1 CC(CO)CCN Z5410631465 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.1 CCC(C)CNC Z1266854907 [0,0,0,0,0,0|2,0,2]=4 5 B6R0.1 CCC(N)CCO Z1258578227 [0,0,0,0,0,0|2,0,2]=4 6 B6R0.1 CCC(N)COC Z825742260 [0,0,0,0,0,0|2,0,2]=4 7 B6R0.1 CCC(O)CCN Z406342052 [0,0,0,0,0,0|1,0,2]=3 8 B6R0.1 CCC(O)CCO Z1198157972 [0,0,0,0,0,0|1,0,2]=3 9 B6R0.1 CCCC(=O)CN Z1203579017 [0,0,0,0,0,0|1,0,3]=4 10 B6R0.1 CCCC(=O)NO Z59181937 [0,0,0,0,0,0|2,0,2]=4 11 B6R0.1 CCCC(C)C#N Z415654768 [0,0,0,0,0,0|2,0,1]=3 12 B6R0.1 CCCC(C)NC Z394693580 [0,0,0,0,0,0|2,0,1]=3 13 B6R0.1 CCCC(N)C#N Z398513448 [0,0,0,0,0,0|2,0,1]=3 14 B6R0.1 CCCC(N)CC Z1642389626 [0,0,0,0,0,0|1,0,2]=3 15 B6R0.1 CCCC(N)CN Z425861040 [0,0,0,0,0,0|2,0,1]=3 16 B6R0.1 CCCC(O)CN Z419084742 [0,0,0,0,0,0|1,0,1]=2 17 B6R0.1 CCCN(C)N=O Z1198147496 [0,0,0,0,0,0|4,0,0]=4 18 B6R0.1 CCNC(C)C#N Z2526709253 [0,0,0,0,0,0|3,0,1]=4 19 B6R0.1 CCNC(C)CC Z2509351098 [0,0,0,0,0,0|2,0,2]=4 20 B6R0.1 CCOC(C)CN Z844631802 [0,0,0,0,0,0|3,0,1]=4 21 B6R0.1 CCSC(C)C#N Z45225009 [0,0,0,0,0,0|3,0,1]=4 22 B6R0.1 CNC(C)CCO Z1198266877 [0,0,0,0,0,0|3,0,1]=4 23 B6R0.1 CNC(C)COC Z815264298 [0,0,0,0,0,0|3,0,1]=4 24 B6R0.1 CNC(C)CSC Z995116552 [0,0,0,0,0,0|3,0,1]=4 25 B6R0.1 CNCC(C)OC Z2065788390 [0,0,0,0,0,0|3,0,1]=4 26 B6R0.1 CNC[C@H](O)CO Z600533638 [0,0,0,0,0,0|2,0,1]=3 27 B6R0.1 COC(C)CCN Z802903932 [0,0,0,0,0,0|3,0,1]=4 28 B6R0.1 COCC(C)CO Z1192375999 [0,0,0,0,0,0|3,0,1]=4 29 B6R0.1 COCC(N)C#N Z1601562385 [0,0,0,0,0,0|3,0,1]=4 30 B6R0.1 COCC(N)CN Z1203580237 [0,0,0,0,0,0|3,0,1]=4 31 B6R0.1 COCC(N)CO Z1945984156 [0,0,0,0,0,0|3,0,1]=4 32 B6R0.1 COCC(O)CN Z271097108 [0,0,0,0,0,0|2,0,1]=3 33 B6R0.1 CSC(C)CCN Z732208464 [0,0,0,0,0,0|3,0,1]=4 34 B6R0.1 CSC(C)CCO Z1262258908 [0,0,0,0,0,0|3,0,1]=4 35 B6R0.1 CSCC(C)CN Z732208434 [0,0,0,0,0,0|3,0,1]=4 36 B6R0.1 CSCC(C)CO Z1270310211 [0,0,0,0,0,0|3,0,1]=4 37 B6R0.1 CSCC(O)CO Z1126770422 [0,0,0,0,0,0|2,0,1]=3 38 B6R0.1 NCC[C@H](F)CN Z4607150940 [0,0,0,0,0,0|3,0,1]=4 39 B5R0.1 C#CCC(C)O Z969111576 [1,0,0,0,0,0|0,0,3]=4 40 B5R0.1 C=C(C)CCN Z1203582475 [1,0,0,0,0,0|2,0,1]=4 41 B5R0.1 CC(C)CCO Z104473558 [1,0,0,0,0,0|2,0,1]=4 42 B5R0.1 CC(N)CCO Z385458430 [1,0,0,0,0,0|2,0,1]=4 43 B5R0.1 CC(O)CC#N Z847151284 [1,0,0,0,0,0|1,0,2]=4 44 B5R0.1 CC(O)CCN Z802904114 [1,0,0,0,0,0|1,0,1]=3 45 B5R0.1 CC(O)CCO Z104473530 [1,0,0,0,0,0|1,0,1]=3 46 B5R0.1 CCCC(=N)N Z1198394172 [1,0,0,0,0,0|2,0,1]=4 47 B5R0.1 CCCC(=O)N Z33546461 [1,0,0,0,0,0|1,0,2]=4 48 B5R0.1 CCCC(=O)O Z104495380 [1,0,0,0,0,0|1,0,1]=3 49 B5R0.1 CCCC(C)N Z2417819590 [1,0,0,0,0,0|1,0,1]=3 50 B5R0.1 CNCC(=O)O Z104480276 [1,0,0,0,0,0|2,0,1]=4 51 B5R0.1 CNCC(C)C Z951367674 [1,0,0,0,0,0|2,0,1]=4 52 B5R0.1 CNCC(C)N Z1413780485 [1,0,0,0,0,0|2,0,1]=4 53 B5R0.1 CNCC(C)O Z138692700 [1,0,0,0,0,0|1,0,1]=3 54 B5R0.1 CNCC(F)F Z1259341074 [1,0,0,0,0,0|3,0,0]=4 55 B5R0.1 COCC(=O)O Z104477404 [1,0,0,0,0,0|2,0,1]=4 56 B5R0.1 COCC(C)O Z825742124 [1,0,0,0,0,0|1,0,1]=3 57 B5R0.1 COC[C@@H](C)N Z1270482298 [1,0,0,0,0,0|2,0,1]=4 58 B5R0.1 COC[C@H](C)N Z1270502316 [1,0,0,0,0,0|2,0,1]=4 59 B5R0.1 CSCC(C)O Z732208306 [1,0,0,0,0,0|1,0,1]=3 60 B5R0.1 C[C@@H](N)CCO Z1526453858 [1,0,0,0,0,0|2,0,1]=4 61 B5R0.1 C[C@@H](O)CCN Z1860991703 [1,0,0,0,0,0|1,0,1]=3 62 B5R0.1 NCCC(=O)O Z57127544 [1,0,0,0,0,0|2,0,1]=4 63 B5R0.1 O=C(O)CCCl Z203045320 [1,0,0,0,0,0|2,0,1]=4 64 B5R0.1 O=C(O)CCS Z104474322 [1,0,0,0,0,0|2,0,1]=4 65 B5R0.2 C#CCCCN Z1945700461 [1,0,0,0,0,0|1,0,2]=4 66 B5R0.2 C#CCCNC Z3270794267 [1,0,0,0,0,0|1,0,2]=4 67 B5R0.2 C#CCNCC Z815264056 [1,0,0,0,0,0|1,0,2]=4 68 B5R0.2 C/C=C/CCN Z1268152372 [1,0,0,0,0,0|1,0,2]=4 69 B5R0.2 C/C=C/OCC Z281777810 [1,0,0,0,0,0|1,0,2]=4 70 B5R0.2 C=C/C=C/CN Z3270208113 [1,0,0,0,0,0|1,0,2]=4 71 B5R0.2 C=CCCC#N Z1219746591 [1,0,0,0,0,0|1,0,1]=3 72 B5R0.2 C=CCCCN Z993058434 [1,0,0,0,0,0|1,0,0]=2 73 B5R0.2 C=CCN=C=S Z104472178 [1,0,0,0,0,0|2,0,1]=4 74 B5R0.2 C=CCNCC Z2044769224 [1,0,0,0,0,0|1,0,0]=2 75 B5R0.2 CCCCC=O Z104472992 [1,0,0,0,0,0|1,0,0]=2 76 B5R0.2 CCCCCN Z104472246 [1,0,0,0,0,0|1,0,1]=3 77 B5R0.2 CCCNCC Z138446288 [1,0,0,0,0,0|1,0,2]=4 78 B5R0.2 CCNCC#N Z235583784 [1,0,0,0,0,0|2,0,1]=4 79 B5R0.2 CCNCCF Z1198305484 [1,0,0,0,0,0|2,0,1]=4 80 B5R0.2 CCNCCO Z1258992395 [1,0,0,0,0,0|2,0,1]=4 81 B5R0.2 CCOCC#N Z295205412 [1,0,0,0,0,0|2,0,1]=4 82 B5R0.2 CCOCCN Z271005962 [1,0,0,0,0,0|2,0,1]=4 83 B5R0.2 CCOCCO Z104473122 [1,0,0,0,0,0|2,0,1]=4 84 B5R0.2 CCSCCN Z3061111063 [1,0,0,0,0,0|2,0,1]=4 85 B5R0.2 CNCCCO Z104756980 [1,0,0,0,0,0|2,0,1]=4 86 B5R0.2 CNCCOC Z1259162131 [1,0,0,0,0,0|2,0,1]=4 87 B5R0.2 CNCCSC Z1398461959 [1,0,0,0,0,0|2,0,1]=4 88 B5R0.2 COCCC#N Z277467992 [1,0,0,0,0,0|2,0,1]=4 89 B5R0.2 COCCCO Z431517702 [1,0,0,0,0,0|2,0,1]=4 90 B5R0.2 COCCOC Z104473014 [1,0,0,0,0,0|2,0,1]=4 91 B5R0.2 N#CCCCN Z1649677743 [1,0,0,0,0,0|2,0,1]=4 92 B5R0.2 N#CCCCO Z385458622 [1,0,0,0,0,0|2,0,1]=4 93 B5R0.2 NCCCCF Z2177031126 [1,0,0,0,0,0|2,0,1]=4 94 B5R0.2 NCCCCN Z104472592 [1,0,0,0,0,0|2,0,1]=4 95 B5R0.3 C=CC(N)CO Z2146514374 [1,0,0,0,0,0|2,0,0]=3 96 B5R0.3 CCC(C)CN Z2350903977 [1,0,0,0,0,0|2,0,1]=4 97 B5R0.3 CCC(C)NC Z594038230 [1,0,0,0,0,0|2,0,1]=4 98 B5R0.3 CCC(N)C#N Z445129502 [1,0,0,0,0,0|2,0,1]=4 99 B5R0.3 CCC(N)CN Z1263714131 [1,0,0,0,0,0|2,0,1]=4 100 B5R0.3 CCC(N)CO Z104474862 [1,0,0,0,0,0|2,0,1]=4 101 B5R0.3 CCC(O)C#N Z419078094 [1,0,0,0,0,0|1,0,1]=3 102 B5R0.3 CCC(O)CN Z419084746 [1,0,0,0,0,0|1,0,1]=3 103 B5R0.3 CCC(O)CO Z600450538 [1,0,0,0,0,0|1,0,1]=3 104 B5R0.3 CCN(C)C=O Z1258520870 [1,0,0,0,0,0|3,0,0]=4 105 B5R0.3 CC[C@@H](N)C#N Z1203638467 [1,0,0,0,0,0|2,0,1]=4 106 B5R0.3 CC[C@@H](N)CO Z1203162359 [1,0,0,0,0,0|2,0,1]=4 107 B5R0.3 CC[C@H](N)CO Z1203162358 [1,0,0,0,0,0|2,0,1]=4 108 B5R0.3 NCC(O)CF Z2311274712 [1,0,0,0,0,0|2,0,1]=4 109 B5R0.3 OCC(O)CO Z104473548 [1,0,0,0,0,0|2,0,1]=4 110 B5R0.3 OCC(O)CS Z1255382958 [1,0,0,0,0,0|2,0,1]=4 111 B7R0.2 CC(C)CC(C)C#N Z415654744 [0,1,0,0,0,0|2,0,1]=4 112 B7R0.2 CC(C)CC(C)CO Z1198147790 [0,1,0,0,0,0|2,0,1]=4 113 B7R0.2 CC(C)CC(N)C#N Z449369050 [0,1,0,0,0,0|2,0,1]=4 114 B7R0.2 CC(C)CC(N)CN Z425861052 [0,1,0,0,0,0|2,0,1]=4 115 B7R0.2 CC(C)CC(N)CO Z734151210 [0,1,0,0,0,0|2,0,1]=4 116 B7R0.2 CC(C)CC(O)CN Z1259162114 [0,1,0,0,0,0|1,0,1]=3 117 B7R0.2 CC(O)CC(C)CN Z1245536559 [0,1,0,0,0,0|2,0,1]=4 118 B7R0.2 CCC(C)CC(C)N Z2472857681 [0,1,0,0,0,0|1,0,2]=4 119 B7R0.2 CN(C)CC(O)CN Z270894906 [0,1,0,0,0,0|2,0,1]=4 120 B7R0.3 C=CC(=O)NOCC Z1251326848 [0,1,0,0,0,0|1,0,2]=4 121 B7R0.3 CC(CN)CCCO Z2234185702 [0,1,0,0,0,0|2,0,1]=4 122 B7R0.3 CCC(N)CCOC Z818738108 [0,1,0,0,0,0|1,0,2]=4 123 B7R0.3 CCC(O)CCCN Z1259162031 [0,1,0,0,0,0|0,0,2]=3 124 B7R0.3 CCCCC(C)NC Z446022384 [0,1,0,0,0,0|2,0,1]=4 125 B7R0.3 CCCCC(N)CC Z3303777618 [0,1,0,0,0,0|1,0,2]=4 126 B7R0.3 CCCCC(N)CN Z756921038 [0,1,0,0,0,0|2,0,1]=4 127 B7R0.3 CCNCC(C)C#N Z235583744 [0,1,0,0,0,0|2,0,1]=4 128 B7R0.3 CCNCC(C)CC Z335456758 [0,1,0,0,0,0|1,0,2]=4 129 B7R0.3 CCNCC(O)CC Z600449680 [0,1,0,0,0,0|0,0,2]=3 130 B7R0.3 CCOCC(O)CN Z271097110 [0,1,0,0,0,0|1,0,1]=3 131 B7R0.3 CCOCC(O)CO Z1178483452 [0,1,0,0,0,0|1,0,1]=3 132 B7R0.3 CCSCC(C)NC Z1238713281 [0,1,0,0,0,0|2,0,1]=4 133 B7R0.3 COCCC(C)CN Z879061310 [0,1,0,0,0,0|2,0,1]=4 134 B7R0.5 C/C=C/C(O)C(=O)O Z2515207189 [0,1,0,0,0,0|1,0,2]=4 135 B7R0.5 C=C(C)C(=O)OCC Z852747724 [0,1,0,0,0,0|1,0,2]=4 136 B7R0.5 CC(C)C(O)CCN Z1203588096 [0,1,0,0,0,0|1,0,2]=4 137 B7R0.5 CC(C)C(O)CCO Z1532770488 [0,1,0,0,0,0|1,0,2]=4 138 B7R0.5 CC(CCN)C(=O)O Z2298167292 [0,1,0,0,0,0|3,0,0]=4 139 B7R0.5 CCCC(C)C(=O)O Z104477112 [0,1,0,0,0,0|2,0,0]=3 140 B7R0.5 CCCC(C)C(C)N Z2737299926 [0,1,0,0,0,0|1,0,2]=4 141 B7R0.5 CCCC(N)C(=O)O Z317024724 [0,1,0,0,0,0|2,0,0]=3 142 B7R0.5 CCC[C@@H](N)C(=O)O Z763365012 [0,1,0,0,0,0|2,0,0]=3 143 B7R0.5 CCC[C@H](N)C(=O)O Z1033300662 [0,1,0,0,0,0|2,0,0]=3 144 B7R0.5 CCNC(C)C(=O)O Z3181996310 [0,1,0,0,0,0|3,0,0]=4 145 B7R0.5 CCOC(C)C(=N)N Z1268703736 [0,1,0,0,0,0|3,0,0]=4 146 B7R0.5 CCOC(C)C(=O)O Z316258934 [0,1,0,0,0,0|3,0,0]=4 147 B7R0.5 CCSC(C)C(=N)N Z1483957022 [0,1,0,0,0,0|3,0,0]=4 148 B7R0.5 CNCC(C)C(=O)O Z1270387301 [0,1,0,0,0,0|3,0,0]=4 149 B7R0.5 COCC(C)C(=O)O Z431541094 [0,1,0,0,0,0|3,0,0]=4 150 B7R0.5 COCC(N)C(=O)O Z1613478163 [0,1,0,0,0,0|3,0,0]=4 151 B7R0.5 CSCC(C)C(=O)O Z732206684 [0,1,0,0,0,0|3,0,0]=4 152 B7R0.5 CSCC(N)C(=O)O Z317025996 [0,1,0,0,0,0|3,0,0]=4 153 B7R0.5 NC(CCF)C(=O)O Z2470036329 [0,1,0,0,0,0|3,0,0]=4 154 B7R0.5 NC(CCO)C(=O)O Z234896487 [0,1,0,0,0,0|3,0,0]=4 155 B7R0.5 NCCC(F)C(=O)O Z3235903750 [0,1,0,0,0,0|3,0,0]=4 156 B7R0.5 NCC[C@H](N)C(=O)O Z1741978716 [0,1,0,0,0,0|3,0,0]=4 157 B7R0.5 NCC[C@H](O)C(=O)O Z1203578154 [0,1,0,0,0,0|2,0,0]=3 158 B7R0.5 N[C@@H](CCO)C(=O)O Z1172369006 [0,1,0,0,0,0|3,0,0]=4 159 B7R0.5 N[C@H](CCO)C(=O)O Z608345098 [0,1,0,0,0,0|3,0,0]=4 160 B7R0.7 C/C=C/C(=O)OCC Z2327209524 [0,1,0,0,0,0|1,0,2]=4 161 B7R0.7 C=C=CC(=O)OCC Z1255488905 [0,1,0,0,0,0|1,0,2]=4 162 B7R0.7 CCCC(C)CCN Z2768767726 [0,1,0,0,0,0|1,0,2]=4 163 B7R0.7 CCCC(C)CNC Z3214687920 [0,1,0,0,0,0|1,0,2]=4 164 B7R0.7 CCCC(O)CCO Z1198158209 [0,1,0,0,0,0|0,0,2]=3 165 B7R0.7 CNCC(O)COC Z406679976 [0,1,0,0,0,0|1,0,2]=4 166 B7R0.7 COCC(O)CCN Z1182310348 [0,1,0,0,0,0|1,0,2]=4 167 B7R0.7 NCCC(O)CCN Z4497194547 [0,1,0,0,0,0|1,0,2]=4 168 B7R0.10 CCC(C)C(N)CO Z1255523308 [0,1,0,0,0,0|2,0,1]=4 169 B7R0.10 CCC(C)C(O)CC Z1138194601 [0,1,0,0,0,0|0,0,2]=3 170 B7R0.10 CCC(C)C(O)CN Z802901690 [0,1,0,0,0,0|1,0,1]=3 171 B7R0.10 OC[C@H](O)[C@H](O)CO Z1203161930 [0,1,0,0,0,0|2,0,1]=4 172 B7R0.11 CC(O)(CO)CCO Z1238572721 [0,1,0,0,0,0|2,0,1]=4 173 B7R0.11 CCCC(C)(N)CO Z734150846 [0,1,0,0,0,0|2,0,1]=4 174 B7R0.11 COCC(C)(O)CN Z992449016 [0,1,0,0,0,0|2,0,1]=4 175 B7R0.11 CSCC(C)(O)CN Z1235968368 [0,1,0,0,0,0|2,0,1]=4 176 B7R0.12 CCCC(CO)OC Z2050356185 [0,1,0,0,0,0|1,0,1]=3 177 B7R0.12 COCC(C#N)OC Z1416162543 [0,1,0,0,0,0|2,0,1]=4 178 B7R0.12 COCC(CN)OC Z1820007612 [0,1,0,0,0,0|2,0,1]=4 179 B7R1.1 BrCC1CCCO1 Z90660999 [0,0,0,1,0,0|1,0,1]=3 180 B7R1.1 C#CC1CCCN1 Z1203832764 [0,0,0,1,0,0|1,0,2]=4 181 B7R1.1 CCC1CCCN1 Z281773802 [0,0,0,1,0,0|1,0,2]=4 182 B7R1.1 CNC1CCCC1 Z102766802 [0,0,0,1,0,0|2,0,1]=4 183 B7R1.1 ClCC1CCCO1 Z56893271 [0,0,0,1,0,0|1,0,1]=3 184 B7R1.1 FCC1CCCN1 Z2216711551 [0,0,0,1,0,0|2,0,1]=4 185 B7R1.1 N#CC1CCCC1 Z285131394 [0,0,0,1,0,0|2,0,1]=4 186 B7R1.1 N#CC1CCCO1 Z1079178976 [0,0,0,1,0,0|1,0,1]=3 187 B7R1.1 N#CC1CCCS1 Z1201681638 [0,0,0,1,0,0|1,1,1]=4 188 B7R1.1 NCC1CCCC1 Z367452206 [0,0,0,1,0,0|2,0,1]=4 189 B7R1.1 NCC1CCCS1 Z1201677924 [0,0,0,1,0,0|1,1,1]=4 190 B7R1.1 NCC1COCO1 Z2298138033 [0,0,0,1,0,0|2,0,1]=4 191 B7R1.1 NC[C@@H]1CCCN1 Z3235020468 [0,0,0,1,0,0|2,0,1]=4 192 B7R1.1 NC[C@H]1CCCN1 Z1483956794 [0,0,0,1,0,0|2,0,1]=4 193 B7R1.1 NNC1CCCC1 Z285139110 [0,0,0,1,0,0|3,0,0]=4 194 B7R1.1 O=CC1=CCCC1 Z1190318866 [0,0,0,1,0,0|2,0,1]=4 195 B7R1.1 O=CC1CCCC1 Z875036058 [0,0,0,1,0,0|2,0,0]=3 196 B7R1.1 O=CC1CCOC1 Z199056102 [0,0,0,1,0,0|3,0,0]=4 197 B7R1.1 O=CC1CCSC1 Z1201681645 [0,0,0,1,0,0|3,0,0]=4 198 B7R1.1 O=CN1CCCC1 Z1255394997 [0,0,0,1,0,0|3,0,0]=4 199 B7R1.1 OCC1CCCC1 Z397587414 [0,0,0,1,0,0|2,0,1]=4 200 B7R1.1 OCC1CCCN1 Z825308062 [0,0,0,1,0,0|2,0,1]=4 201 B7R1.1 OCC1CCCS1 Z1201679857 [0,0,0,1,0,0|1,1,1]=4 202 B7R1.1 OC[C@@H]1CCCN1 Z1123715411 [0,0,0,1,0,0|2,0,1]=4 203 B7R1.2 CC1CC(CN1)O Z1201051000 [0,0,0,1,0,0|1,0,1]=3 204 B7R1.2 CC1CC(CO1)N Z2418414350 [0,0,0,1,0,0|2,0,1]=4 205 B7R1.2 CC1CC(CS1)N Z1203639702 [0,0,0,1,0,0|2,0,1]=4 206 B7R1.2 CC1CCC(C1)O Z1233224917 [0,0,0,1,0,0|0,0,2]=3 207 B7R1.2 CC1CNC(C1)C Z1250222491 [0,0,0,1,0,0|2,0,1]=4 208 B7R1.2 CN1C=CC(=N1)O Z1343577415 [0,0,0,1,0,0|2,0,1]=4 209 B7R1.3 C[C@H]1CCCNC1 Z1895741201 [0,0,0,1,0,0|2,0,1]=4 210 B7R1.3 NC1C=CCCC1 Z1203579654 [0,0,0,1,0,0|1,0,0]=2 211 B7R1.3 NC1CCCCC1 Z1945707495 [0,0,0,1,0,0|1,0,2]=4 212 B7R1.3 NC1CCCOC1 Z1013492300 [0,0,0,1,0,0|2,0,1]=4 213 B7R1.3 NC1CCCSC1 Z1029463244 [0,0,0,1,0,0|2,0,1]=4 214 B7R1.3 O=C1C=CCCC1 Z295197140 [0,0,0,1,0,0|0,0,2]=3 215 B7R1.3 O=C1C=CCCO1 Z1255402681 [0,0,0,1,0,0|1,0,2]=4 216 B7R1.3 OC1CCCCC1 Z104473498 [0,0,0,1,0,0|0,0,2]=3 217 B7R1.3 OC1CCCSC1 Z993818972 [0,0,0,1,0,0|1,0,1]=3 218 B7R1.3 OC1CCNCC1 Z56347197 [0,0,0,1,0,0|1,0,2]=4 219 B7R1.3 OC1CCOCC1 Z1359429523 [0,0,0,1,0,0|1,0,2]=4 220 B7R1.3 OC1CCONC1 Z3325124334 [0,0,0,1,0,0|2,0,1]=4 221 B7R1.3 OC1CNCCO1 Z1428160315 [0,0,0,1,0,0|2,0,1]=4 222 B7R1.3 OC1COCOC1 Z431564488 [0,0,0,1,0,0|2,0,1]=4 223 B7R1.4 C=C1CCOC1=O Z1255438435 [0,0,0,1,0,0|1,0,2]=4 224 B7R1.4 C=C1COCC1N Z3066568668 [0,0,0,1,0,0|2,0,0]=3 225 B7R1.4 CC1CCCC1=O Z813018382 [0,0,0,1,0,0|2,0,0]=3 226 B7R1.4 CC1CCCC1N Z1219738990 [0,0,0,1,0,0|1,0,2]=4 227 B7R1.4 CC1CCNC1=O Z1198147219 [0,0,0,1,0,0|3,0,0]=4 228 B7R1.4 CC1NCCC1=O Z2733314209 [0,0,0,1,0,0|3,0,0]=4 229 B7R1.4 CN1CCCC1=O Z104478382 [0,0,0,1,0,0|3,0,0]=4 230 B7R1.4 C[C@@H]1CCC[C@@H]1N Z2309845262 [0,0,0,1,0,0|1,0,2]=4 231 B7R1.4 C[C@@H]1CCC[C@H]1N Z2568757690 [0,0,0,1,0,0|1,0,2]=4 232 B7R1.4 C[C@@H]1CNC[C@@H]1O Z2309845194 [0,0,0,1,0,0|1,0,2]=4 233 B7R1.4 C[C@@H]1NCC[C@H]1O Z2235678880 [0,0,0,1,0,0|1,0,2]=4 234 B7R1.4 NC1CCOC1=O Z56921763 [0,0,0,1,0,0|3,0,0]=4 235 B7R1.4 NC1CCSC1=O Z56922158 [0,0,0,1,0,0|3,0,0]=4 236 B7R1.4 N[C@@H]1CCC[C@@H]1O Z2306841441 [0,0,0,1,0,0|1,0,1]=3 237 B7R1.4 N[C@@H]1CCC[C@H]1N Z2786079696 [0,0,0,1,0,0|2,0,1]=4 238 B7R1.4 N[C@@H]1CCC[C@H]1O Z2256393934 [0,0,0,1,0,0|1,0,1]=3 239 B7R1.4 N[C@@H]1CCSC1=O Z5069355115 [0,0,0,1,0,0|3,0,0]=4 240 B7R1.4 N[C@@H]1CSC[C@@H]1O Z3068057819 [0,0,0,1,0,0|2,0,1]=4 241 B7R1.4 N[C@H]1CCC[C@@H]1O Z1197994837 [0,0,0,1,0,0|1,0,1]=3 242 B7R1.4 N[C@H]1CCSC1=O Z5069354967 [0,0,0,1,0,0|3,0,0]=4 243 B7R1.4 O=C1CCCC1Cl Z104492966 [0,0,0,1,0,0|2,0,0]=3 244 B7R1.4 O=C1NCCC1F Z1203745843 [0,0,0,1,0,0|3,0,0]=4 245 B7R1.4 OC1CCCC1O Z600452564 [0,0,0,1,0,0|1,0,1]=3 246 B7R1.4 OC1CNCC1O Z1147229592 [0,0,0,1,0,0|2,0,1]=4 247 B7R1.4 O[C@@H]1CNC[C@H]1F Z2307368320 [0,0,0,1,0,0|2,0,1]=4 248 B7R1.4 O[C@@H]1CNC[C@H]1O Z2309778206 [0,0,0,1,0,0|2,0,1]=4 249 B7R1.4 O[C@H]1CNC[C@H]1O Z1318268689 [0,0,0,1,0,0|2,0,1]=4 250 B7R1.5 CCC[C@@H]1C[C@H]1N Z2298098035 [0,0,0,1,0,0|2,0,1]=4 251 B7R1.6 CCCC1CNC1 Z2310679174 [0,0,0,1,0,0|2,0,1]=4 252 B7R1.8 CN[C@@H]1CC[C@H]1O Z2678247023 [0,0,0,1,0,0|1,0,2]=4 253 B7R1.9 CCC1CC1C=O Z1513989944 [0,0,0,1,0,0|2,0,0]=3 254 B7R1.9 CC[C@@H]1C[C@H]1C=O Z3300760890 [0,0,0,1,0,0|2,0,0]=3 255 B7R1.9 CC[C@@H]1C[C@H]1CN Z2235810238 [0,0,0,1,0,0|2,0,1]=4 256 B7R1.9 ClC[C@H]1O[C@H]1CCl Z1205660922 [0,0,0,1,0,0|2,0,1]=4 257 B7R1.10 C=CC1CC(=O)N1 Z1203730883 [0,0,0,1,0,0|2,0,1]=4 258 B7R1.10 C=CC1CC(C1)N Z4052438501 [0,0,0,1,0,0|2,0,0]=3 259 B7R1.21 CCCC1(CC1)N Z3072982019 [0,0,0,1,0,0|1,0,2]=4 260 B7R1.21 CCCC1(CO1)C Z1020679916 [0,0,0,1,0,0|2,0,1]=4 261 B7R1.22 C#CC(N)C1CC1 Z3335415540 [0,0,0,1,0,0|1,0,2]=4 262 B7R1.22 C=CC(N)C1CC1 Z3444558430 [0,0,0,1,0,0|1,0,0]=2 263 B7R1.22 CC(C#N)C1CC1 Z415654714 [0,0,0,1,0,0|2,0,1]=4 264 B7R1.22 CC(C=O)C1CC1 Z1263529480 [0,0,0,1,0,0|2,0,0]=3 265 B7R1.22 CC(CN)C1CC1 Z1259341042 [0,0,0,1,0,0|2,0,1]=4 266 B7R1.22 CNC(C)C1CC1 Z270730248 [0,0,0,1,0,0|2,0,1]=4 267 B7R1.22 N#CC(N)C1CC1 Z1266854880 [0,0,0,1,0,0|2,0,1]=4 268 B7R1.22 NC(CO)C1CC1 Z1362754532 [0,0,0,1,0,0|2,0,1]=4 269 B7R1.22 NCC(N)C1CC1 Z445154916 [0,0,0,1,0,0|2,0,1]=4 270 B7R1.22 NCC(O)C1CC1 Z802856322 [0,0,0,1,0,0|1,0,1]=3 271 B7R1.25 C=CC1(CCC1)N Z3241265563 [0,0,0,1,0,0|1,0,0]=2 272 B7R1.25 CC1(CCC1)C#N Z1255381956 [0,0,0,1,0,0|2,0,1]=4 273 B7R1.25 CC1(CCC1)C=O Z1198728427 [0,0,0,1,0,0|2,0,0]=3 274 B7R1.25 CC1(CCC1)CN Z1357823912 [0,0,0,1,0,0|2,0,1]=4 275 B7R1.25 CC1(COC1)C=O Z1198234536 [0,0,0,1,0,0|3,0,0]=4 276 B7R1.25 CC1(CSC1)C=O Z2732442937 [0,0,0,1,0,0|3,0,0]=4 277 B7R1.25 CCC1(CCC1)N Z1333043532 [0,0,0,1,0,0|1,0,2]=4 278 B7R1.25 CNC1(CCC1)C Z1255443634 [0,0,0,1,0,0|2,0,1]=4 279 B7R1.25 N#CC1(CCC1)N Z406679978 [0,0,0,1,0,0|2,0,1]=4 280 B7R1.25 NC1(CCC1)CO Z1203581511 [0,0,0,1,0,0|2,0,1]=4 281 B7R1.25 NCC1(CCC1)Cl Z4313035783 [0,0,0,1,0,0|2,0,1]=4 282 B7R1.25 NCC1(CCC1)F Z1862011799 [0,0,0,1,0,0|2,0,1]=4 283 B7R1.25 NCC1(CCC1)O Z419084774 [0,0,0,1,0,0|1,0,1]=3 284 B7R1.25 OCC1(CCC1)O Z1537124745 [0,0,0,1,0,0|1,0,1]=3 285 B7R1.27 CC1CC1(C)C=O Z1513984691 [0,0,0,1,0,0|2,0,0]=3 286 B4R0.1 C#CC(C)O Z1251193370 [2,0,0,0,0,0|0,0,2]=4 287 B4R0.1 C=CC(=C)C Z104474660 [2,0,0,0,0,0|1,0,1]=4 288 B4R0.1 C=CC(=O)O Z57127944 [2,0,0,0,0,0|1,0,1]=4 289 B4R0.1 C=CC(C)N Z1446855743 [2,0,0,0,0,0|1,0,0]=3 290 B4R0.1 CC(O)CN Z104477092 [2,0,0,0,0,0|1,0,1]=4 291 B4R0.1 CC(O)CO Z106938868 [2,0,0,0,0,0|1,0,1]=4 292 B4R0.1 CCC(=O)O Z104474154 [2,0,0,0,0,0|1,0,1]=4 293 B4R0.1 CCC(C)N Z104472234 [2,0,0,0,0,0|1,0,1]=4 294 B4R0.1 CC[C@@H](C)O Z1203162396 [2,0,0,0,0,0|0,0,1]=3 295 B4R0.1 C[C@@H](O)CO Z1255486379 [2,0,0,0,0,0|1,0,1]=4 296 B4R0.1 C[C@H](O)CN Z1203577967 [2,0,0,0,0,0|1,0,1]=4 297 B4R0.1 C[C@H](O)CO Z1255449993 [2,0,0,0,0,0|1,0,1]=4 298 B4R0.2 CCCC#N Z238878246 [2,0,0,0,0,0|1,0,1]=4 299 B4R0.2 CCCCN Z104474314 [2,0,0,0,0,0|1,0,0]=3 300 B4R0.2 CCCCO Z104473488 [2,0,0,0,0,0|0,0,0]=2 301 B4R0.2 CCCNN Z415728048 [2,0,0,0,0,0|2,0,0]=4 302 B4R0.2 COCCO Z104473522 [2,0,0,0,0,0|1,0,0]=3 303 B4R0.2 CSCCO Z149154880 [2,0,0,0,0,0|1,0,0]=3 304 B4R0.2 NCCCN Z104478068 [2,0,0,0,0,0|2,0,0]=4 305 B4R0.2 NCCCO Z56771034 [2,0,0,0,0,0|1,0,0]=3 306 B6R0.2 CC(C)CB(O)O Z1098324138 [1,1,0,0,0,0|2,0,0]=4 307 B6R0.2 CC(C)CC(=O)O Z104474910 [1,1,0,0,0,0|1,0,1]=4 308 B6R0.2 CC(N)CC(=O)O Z147647144 [1,1,0,0,0,0|1,0,1]=4 309 B6R0.2 C[C@H](N)CC(=O)O Z1741969208 [1,1,0,0,0,0|1,0,1]=4 310 B6R0.3 CC(O)C(N)CN Z1250080890 [1,1,0,0,0,0|1,0,1]=4 311 B6R0.3 CCC(C)C(=O)O Z237374874 [1,1,0,0,0,0|1,0,1]=4 312 B6R0.3 CCC(C)C(C)N Z335455612 [1,1,0,0,0,0|1,0,1]=4 313 B6R0.3 CCC(N)C(=O)O Z104495144 [1,1,0,0,0,0|1,0,1]=4 314 B6R0.3 CCC(N)C(C)C Z823287438 [1,1,0,0,0,0|1,0,1]=4 315 B6R0.3 CCC(O)C(=O)O Z246073650 [1,1,0,0,0,0|1,0,1]=4 316 B6R0.3 CCC(O)C(C)C Z445987082 [1,1,0,0,0,0|1,0,1]=4 317 B6R0.3 CCC(O)C(C)O Z1251352132 [1,1,0,0,0,0|0,0,1]=3 318 B6R0.3 CC[C@@H](N)C(=O)O Z904976986 [1,1,0,0,0,0|1,0,1]=4 319 B6R0.3 CC[C@H](C)C(=O)O Z1205493564 [1,1,0,0,0,0|1,0,1]=4 320 B6R0.3 CC[C@H](N)C(=O)O Z1741965569 [1,1,0,0,0,0|1,0,1]=4 321 B6R0.3 CSC(C)C(C)O Z1273036711 [1,1,0,0,0,0|1,0,1]=4 322 B6R0.4 C#CCCC(C)O Z854048672 [1,1,0,0,0,0|0,0,2]=4 323 B6R0.4 CC(C)CCCN Z992716898 [1,1,0,0,0,0|1,0,1]=4 324 B6R0.4 CC(N)CCCN Z2230911100 [1,1,0,0,0,0|1,0,1]=4 325 B6R0.4 CC(N)CCCO Z1203578676 [1,1,0,0,0,0|1,0,1]=4 326 B6R0.4 CC(O)CCCN Z1198178891 [1,1,0,0,0,0|0,0,1]=3 327 B6R0.4 CCCCB(O)O Z1147227739 [1,1,0,0,0,0|2,0,0]=4 328 B6R0.4 CCCCC(=O)O Z104473312 [1,1,0,0,0,0|1,0,1]=4 329 B6R0.4 CCCCC(C)N Z3300506318 [1,1,0,0,0,0|1,0,1]=4 330 B6R0.4 CCNCC(=O)O Z744593094 [1,1,0,0,0,0|1,0,1]=4 331 B6R0.4 CCNCC(C)C Z380844664 [1,1,0,0,0,0|1,0,1]=4 332 B6R0.4 CCNCC(C)O Z138692768 [1,1,0,0,0,0|0,0,1]=3 333 B6R0.4 CCNCC(F)F Z1691545150 [1,1,0,0,0,0|2,0,0]=4 334 B6R0.4 CCOCC(=O)O Z104495232 [1,1,0,0,0,0|1,0,1]=4 335 B6R0.4 CCOCC(C)N Z839575202 [1,1,0,0,0,0|1,0,1]=4 336 B6R0.4 CCSCC(C)N Z1203641186 [1,1,0,0,0,0|1,0,1]=4 337 B6R0.4 CNCCC(C)C Z607822512 [1,1,0,0,0,0|1,0,1]=4 338 B6R0.4 CNCCC(C)O Z1203731868 [1,1,0,0,0,0|0,0,1]=3 339 B6R0.4 COCCC(=O)O Z285184634 [1,1,0,0,0,0|1,0,1]=4 340 B6R0.4 COCCC(C)N Z361881180 [1,1,0,0,0,0|1,0,1]=4 341 B6R0.4 COCCC(C)O Z818738042 [1,1,0,0,0,0|0,0,1]=3 342 B6R0.4 CSCCC(=O)O Z54719251 [1,1,0,0,0,0|1,0,1]=4 343 B6R0.4 NCCCC(=O)O Z104475620 [1,1,0,0,0,0|1,0,1]=4 344 B6R0.4 NCCCC(F)F Z1198165810 [1,1,0,0,0,0|2,0,0]=4 345 B6R0.4 NCCCS(=O)O Z1203579399 [1,1,0,0,0,0|2,0,0]=4 346 B6R0.4 O=C(O)CCCS Z147642510 [1,1,0,0,0,0|1,0,1]=4 347 B6R0.5 CCCC(C)(C)N Z1262250787 [1,1,0,0,0,0|1,0,1]=4 348 B6R0.5 CCCC(C)(C)O Z449374450 [1,1,0,0,0,0|0,0,1]=3 349 B6R0.5 CNCC(C)(C)O Z600453550 [1,1,0,0,0,0|1,0,1]=4 350 B6R0.6 C#CCCCCN Z1431002697 [1,1,0,0,0,0|0,0,2]=4 351 B6R0.6 C#CCNCCC Z815264308 [1,1,0,0,0,0|0,0,2]=4 352 B6R0.6 C=C/C=C/CCN Z2786180930 [1,1,0,0,0,0|0,0,2]=4 353 B6R0.6 C=CCCCCN Z1198160046 [1,1,0,0,0,0|0,0,0]=2 354 B6R0.6 C=CCCN=C=S Z1255360772 [1,1,0,0,0,0|1,0,1]=4 355 B6R0.6 C=CCNCC=C Z104474454 [1,1,0,0,0,0|0,0,2]=4 356 B6R0.6 C=CCNCCO Z137800938 [1,1,0,0,0,0|1,0,0]=3 357 B6R0.6 C=CCOCCN Z976678988 [1,1,0,0,0,0|1,0,0]=3 358 B6R0.6 C=CCSCC=C Z1208219429 [1,1,0,0,0,0|0,0,2]=4 359 B6R0.6 C=CCSCCN Z1262237162 [1,1,0,0,0,0|1,0,0]=3 360 B6R0.6 CCCCCCO Z104473568 [1,1,0,0,0,0|0,0,2]=4 361 B6R0.6 CCCCN=C=S Z104473876 [1,1,0,0,0,0|1,0,1]=4 362 B6R0.6 CCCNCC#N Z235653524 [1,1,0,0,0,0|1,0,1]=4 363 B6R0.6 CCCOCCN Z4449042604 [1,1,0,0,0,0|1,0,1]=4 364 B6R0.6 CCNCCCF Z1203824341 [1,1,0,0,0,0|1,0,1]=4 365 B6R0.6 CCNCCCO Z138139914 [1,1,0,0,0,0|1,0,1]=4 366 B6R0.6 CCNCCSC Z2412193591 [1,1,0,0,0,0|1,0,1]=4 367 B6R0.6 CCOCCCO Z1080358490 [1,1,0,0,0,0|1,0,1]=4 368 B6R0.6 CNCCCCN Z2939606540 [1,1,0,0,0,0|1,0,1]=4 369 B6R0.6 CNCCCCO Z839096662 [1,1,0,0,0,0|1,0,1]=4 370 B6R0.6 CNCCCOC Z137847932 [1,1,0,0,0,0|1,0,1]=4 371 B6R0.6 CNCCCSC Z102766932 [1,1,0,0,0,0|1,0,1]=4 372 B6R0.6 COCCCC#N Z295205400 [1,1,0,0,0,0|1,0,1]=4 373 B6R0.6 COCCCCO Z431605254 [1,1,0,0,0,0|1,0,1]=4 374 B6R0.6 N#CCCCCN Z823279224 [1,1,0,0,0,0|1,0,1]=4 375 B6R0.6 N#CCCCCO Z431952150 [1,1,0,0,0,0|1,0,1]=4 376 B6R0.6 NCCCCCF Z3524160733 [1,1,0,0,0,0|1,0,1]=4 377 B6R0.6 NCCCCCN Z951173830 [1,1,0,0,0,0|1,0,1]=4 378 B6R0.6 O=CCCCC=O Z57127529 [1,1,0,0,0,0|1,0,1]=4 379 B6R0.8 C#CC(C)(O)CC Z1251192957 [1,1,0,0,0,0|0,0,2]=4 380 B6R0.8 C=CC(C)(N)CC Z3042074270 [1,1,0,0,0,0|1,0,0]=3 381 B6R0.8 C=CS(=O)(=O)CC Z448248158 [1,1,0,0,0,0|1,0,1]=4 382 B6R0.8 CCC(C)(O)CC Z449374480 [1,1,0,0,0,0|0,0,2]=4 383 B6R0.8 CCC(C)(O)CN Z419085064 [1,1,0,0,0,0|1,0,1]=4 384 B6R0.9 CCC(C#N)OC Z851010100 [1,1,0,0,0,0|1,0,1]=4 385 B6R0.9 CCC(CN)OC Z2168541798 [1,1,0,0,0,0|1,0,1]=4 386 B6R0.9 CCC(CO)CO Z1198261463 [1,1,0,0,0,0|1,0,1]=4 387 B6R0.9 CCC(CO)OC Z1255373272 [1,1,0,0,0,0|1,0,1]=4 388 B8R0.2 CCC(C)C(C)C(=O)O Z792363910 [0,2,0,0,0,0|2,0,0]=4 389 B8R0.2 CCC(C)C(N)C(=O)N Z56979347 [0,2,0,0,0,0|2,0,0]=4 390 B8R0.2 CCC(C)C(N)C(=O)O Z104473608 [0,2,0,0,0,0|2,0,0]=4 391 B8R0.2 CCC(N)C(O)C(C)C Z2301500146 [0,2,0,0,0,0|0,0,2]=4 392 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O Z1203578023 [0,2,0,0,0,0|2,0,0]=4 393 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O Z1203578040 [0,2,0,0,0,0|2,0,0]=4 394 B8R0.2 CC[C@@H](O)[C@@H](C)C(=O)O Z1205494177 [0,2,0,0,0,0|2,0,0]=4 395 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O Z1201618644 [0,2,0,0,0,0|2,0,0]=4 396 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O Z756427442 [0,2,0,0,0,0|2,0,0]=4 397 B8R0.2 COC(C)C(O)C(=O)O Z1509040637 [0,2,0,0,0,0|2,0,0]=4 398 B8R0.2 CSC(C)C(O)C(=O)O Z2787457174 [0,2,0,0,0,0|2,0,0]=4 399 B8R0.2 NC[C@@H](O)[C@@H](O)C(=O)O Z3270796459 [0,2,0,0,0,0|2,0,0]=4 400 B8R0.5 CCC/C(=C/C(=O)O)/C Z352746820 [0,2,0,0,0,0|1,0,1]=4 401 B8R0.5 CCCC(C)CC(=O)O Z352782810 [0,2,0,0,0,0|1,0,1]=4 402 B8R0.5 CCCC(O)CC(=O)O Z982132146 [0,2,0,0,0,0|0,0,1]=3 403 B8R0.16 CC(C)CC(CN)CO Z1945704754 [0,2,0,0,0,0|1,0,1]=4 404 B8R0.16 COC(CN)CC(C)C Z1270207720 [0,2,0,0,0,0|1,0,1]=4 405 B8R0.16 COC(CO)CC(C)C Z2050575509 [0,2,0,0,0,0|1,0,1]=4 406 B8R0.23 CC(C)CC(C)C(=O)O Z756390494 [0,2,0,0,0,0|2,0,0]=4 407 B8R0.23 CC(C)CC(N)C(=O)O Z57127546 [0,2,0,0,0,0|2,0,0]=4 408 B8R0.23 CC(C)C[C@@H](N)C(=O)O Z850973972 [0,2,0,0,0,0|2,0,0]=4 409 B8R0.23 CC(C)C[C@H](N)C(=O)O Z756437526 [0,2,0,0,0,0|2,0,0]=4 410 B8R0.23 CC(N)CC(C)C(=O)O Z5272192378 [0,2,0,0,0,0|2,0,0]=4 411 B8R0.23 CN(C)CC(O)C(=O)O Z1205494800 [0,2,0,0,0,0|2,0,0]=4 412 B8R0.24 CC(C)(C)CC(O)CN Z1041195378 [0,2,0,0,0,0|1,0,1]=4 413 B8R0.1 C=CCCC(=O)CCC Z406377524 [0,2,0,0,0,0|0,0,2]=4 414 B8R0.3 CCCC(C)C(=O)CC Z1138187109 [0,2,0,0,0,0|1,0,1]=4 415 B8R0.3 CCCC(N)C(=O)NC Z1449756374 [0,2,0,0,0,0|1,0,1]=4 416 B8R0.3 CCCC(N)C(=O)NO Z1184862965 [0,2,0,0,0,0|2,0,0]=4 417 B8R0.3 CCCC(N)C(=O)OC Z1592042299 [0,2,0,0,0,0|1,0,1]=4 418 B8R0.8 CCCCC(C)C(=O)C Z727719632 [0,2,0,0,0,0|1,0,1]=4 419 B8R0.8 CCCCC(C)C(=O)O Z756390480 [0,2,0,0,0,0|2,0,0]=4 420 B8R0.8 CCCCC(N)C(=O)O Z57127434 [0,2,0,0,0,0|2,0,0]=4 421 B8R0.8 CCCCC(O)C(=O)O Z803065156 [0,2,0,0,0,0|1,0,0]=3 422 B8R0.8 CCCC[C@@H](N)C(=O)O Z1203578064 [0,2,0,0,0,0|2,0,0]=4 423 B8R0.8 CCCC[C@H](N)C(=O)O Z1203162297 [0,2,0,0,0,0|2,0,0]=4 424 B8R0.8 CCOCC(C)C(=O)O Z431541098 [0,2,0,0,0,0|2,0,0]=4 425 B8R0.8 CCOC[C@@H](N)C(=O)O Z2418414224 [0,2,0,0,0,0|2,0,0]=4 426 B8R0.8 COCCC(C)C(=O)O Z756390554 [0,2,0,0,0,0|2,0,0]=4 427 B8R0.8 COCCC(N)C(=O)O Z317025018 [0,2,0,0,0,0|2,0,0]=4 428 B8R0.8 COCCC(O)C(C)C Z818738034 [0,2,0,0,0,0|0,0,2]=4 429 B8R0.8 CSCCC(N)C(=O)O Z57127440 [0,2,0,0,0,0|2,0,0]=4 430 B8R0.8 CSCCC(O)C(=O)O Z788000926 [0,2,0,0,0,0|1,0,0]=3 431 B8R0.8 CSCC[C@@H](N)C(=O)O Z1147215595 [0,2,0,0,0,0|2,0,0]=4 432 B8R0.8 CSCC[C@H](N)C(=O)O Z756440050 [0,2,0,0,0,0|2,0,0]=4 433 B8R0.8 NCCCC(N)C(=O)O Z104476736 [0,2,0,0,0,0|2,0,0]=4 434 B8R0.8 NCCC[C@@H](N)C(=O)O Z1276446907 [0,2,0,0,0,0|2,0,0]=4 435 B8R0.8 NCCC[C@H](N)C(=O)O Z991547388 [0,2,0,0,0,0|2,0,0]=4 436 B8R0.8 O=C([O-])C(O)CCCO Z2510259022 [0,2,0,0,0,0|1,0,0]=3 437 B8R0.9 C=CC(N)CCC(=O)O Z1255431434 [0,2,0,0,0,0|1,0,1]=4 438 B8R0.9 CC(C)CCC(O)CO Z1617994519 [0,2,0,0,0,0|1,0,1]=4 439 B8R0.9 CC(C)NCC(O)CO Z385465736 [0,2,0,0,0,0|1,0,1]=4 440 B8R0.9 CCC(O)CCC(C)C Z838962512 [0,2,0,0,0,0|0,0,2]=4 441 B8R0.11 COC(CN)CCSC Z4918222120 [0,2,0,0,0,0|1,0,1]=4 442 B8R0.25 COCCC(C)(O)CN Z879074216 [0,2,0,0,0,0|1,0,1]=4 443 B8R0.12 CCCC(C)(C)C(=O)N Z1198157529 [0,2,0,0,0,0|2,0,0]=4 444 B8R0.12 CCCC(C)(N)C(=O)O Z317024732 [0,2,0,0,0,0|2,0,0]=4 445 B8R0.12 CCCC(C)(O)C(=O)O Z788000960 [0,2,0,0,0,0|1,0,0]=3 446 B8R0.12 COCC(C)(O)C(=O)O Z992448466 [0,2,0,0,0,0|2,0,0]=4 447 B8R0.15 CCCC(CC)C(=O)O Z756391368 [0,2,0,0,0,0|0,0,2]=4 448 B8R0.15 CCCC(CN)C(=O)O Z970060188 [0,2,0,0,0,0|1,0,1]=4 449 B8R0.15 CCCC(OC)C(=O)O Z1201627136 [0,2,0,0,0,0|1,0,0]=3 450 B8R0.15 CCNC(CO)C(=O)O Z4780865118 [0,2,0,0,0,0|2,0,0]=4 451 B8R0.22 CCCC(CN)CCO Z1269766401 [0,2,0,0,0,0|1,0,1]=4 452 B8R0.20 CCC(C)C(CN)OC Z1270207707 [0,2,0,0,0,0|1,0,1]=4 453 B8R0.20 CCC(C)C(CO)OC Z2234631187 [0,2,0,0,0,0|1,0,1]=4 454 B8R0.20 CCC(CC)C(O)CN Z802901136 [0,2,0,0,0,0|1,0,1]=4 455 B8R0.20 CCC(N)C(OC)OC Z1860991708 [0,2,0,0,0,0|1,0,1]=4 456 B6R1.2 CC1CCCN1 Z1274177652 [1,0,0,1,0,0|1,0,1]=4 457 B6R1.2 NC1C=CCC1 Z2679312470 [1,0,0,1,0,0|1,0,1]=4 458 B6R1.2 N[C@@H]1C=CCC1 Z1203585093 [1,0,0,1,0,0|1,0,1]=4 459 B6R1.2 OC1C=CCC1 Z1255485846 [1,0,0,1,0,0|0,0,1]=3 460 B6R1.2 OC1CCOC1 Z1124541349 [1,0,0,1,0,0|1,0,1]=4 461 B6R1.2 OC1CCSC1 Z335244836 [1,0,0,1,0,0|1,0,1]=4 462 B6R1.2 O[C@@H]1CCNC1 Z1263714129 [1,0,0,1,0,0|1,0,1]=4 463 B6R1.2 O[C@H]1CCNC1 Z1263714116 [1,0,0,1,0,0|1,0,1]=4 464 B6R1.3 ClCCC1CO1 Z1205657512 [1,0,0,1,0,0|1,0,1]=4 465 B6R1.5 CC1CC(C1)N Z1357823942 [1,0,0,1,0,0|1,0,1]=4 466 B6R1.5 CC1CC(N1)C Z2143576622 [1,0,0,1,0,0|1,0,1]=4 467 B6R1.5 N[C@H]1C[C@H](C1)O Z1416282421 [1,0,0,1,0,0|1,0,1]=4 468 B6R1.5 O[C@H]1C[C@H](C1)O Z2065357735 [1,0,0,1,0,0|1,0,1]=4 469 B6R1.8 CC1OC1CCl Z1205657581 [1,0,0,1,0,0|1,0,1]=4 470 B6R1.10 CC1(CCC1)N Z1741969618 [1,0,0,1,0,0|1,0,1]=4 471 B6R1.10 CC1(CCC1)O Z1241455013 [1,0,0,1,0,0|0,0,1]=3 472 B6R1.11 CC(N)C1CC1 Z89283349 [1,0,0,1,0,0|1,0,1]=4 473 B6R1.1 C1=CCCCC1 Z104474726 [1,0,0,1,0,0|0,0,0]=2 474 B6R1.1 C1=CCNCC1 Z1623864216 [1,0,0,1,0,0|1,0,0]=3 475 B6R1.1 C1=CCONC1 Z1486018651 [1,0,0,1,0,0|2,0,0]=4 476 B6R1.1 C1=NCCCN1 Z1198163087 [1,0,0,1,0,0|2,0,0]=4 477 B6R1.1 C1CCONC1 Z1787355355 [1,0,0,1,0,0|2,0,0]=4 478 B6R1.4 CC1CCC1N Z2082999653 [1,0,0,1,0,0|1,0,1]=4 479 B6R1.6 CCC1CNC1 Z1203733931 [1,0,0,1,0,0|1,0,1]=4 480 B6R1.6 CNC1CCC1 Z1263820270 [1,0,0,1,0,0|1,0,1]=4 481 B6R1.6 N#CC1CCC1 Z406694072 [1,0,0,1,0,0|1,0,1]=4 482 B6R1.6 NCC1CCC1 Z381061564 [1,0,0,1,0,0|1,0,1]=4 483 B6R1.6 O=CC1CCC1 Z1079442452 [1,0,0,1,0,0|1,0,0]=3 484 B6R1.7 CC1(CC1)C=O Z1263714317 [1,0,0,1,0,0|2,0,0]=4 485 B8R1.1 CC1CC(=NO1)C=O Z2732442537 [0,1,0,1,0,0|1,0,1]=4 486 B8R1.1 CC1CCC(C1)C=O Z1268606446 [0,1,0,1,0,0|2,0,0]=4 487 B8R1.1 CC1CCC(O1)C#N Z1438313776 [0,1,0,1,0,0|1,0,1]=4 488 B8R1.1 CC1CCC(O1)CN Z1438307598 [0,1,0,1,0,0|1,0,1]=4 489 B8R1.1 CCN1C=CC(=N1)O Z2941655720 [0,1,0,1,0,0|1,0,1]=4 490 B8R1.4 CC1=CC(=O)CCC1 Z1042078386 [0,1,0,1,0,0|0,0,2]=4 491 B8R1.4 CC1=CC(CCC1)N Z3895215954 [0,1,0,1,0,0|1,0,0]=3 492 B8R1.4 CC1=CC(CCC1)O Z1255423437 [0,1,0,1,0,0|0,0,0]=2 493 B8R1.4 CC1=CC(CNC1)C Z1966484556 [0,1,0,1,0,0|2,0,0]=4 494 B8R1.4 CC1CCCC(=O)C1 Z56899044 [0,1,0,1,0,0|1,0,1]=4 495 B8R1.4 CC1CCCC(=O)N1 Z1198150789 [0,1,0,1,0,0|2,0,0]=4 496 B8R1.4 CC1CNCC(C1)O Z2255082098 [0,1,0,1,0,0|0,0,2]=4 497 B8R1.4 C[C@@H]1CNC[C@@H](C1)O Z2301535259 [0,1,0,1,0,0|0,0,2]=4 498 B8R1.4 C[C@@H]1CNC[C@H](C1)O Z4073561603 [0,1,0,1,0,0|0,0,2]=4 499 B8R1.4 C[C@@H]1C[C@@H](CCN1)O Z2568671386 [0,1,0,1,0,0|0,0,2]=4 500 B8R1.4 NC1=CC(=O)CCC1 Z56899207 [0,1,0,1,0,0|0,0,2]=4 501 B8R1.4 NC1CCCC(C1)O Z2724335128 [0,1,0,1,0,0|0,0,2]=4 502 B8R1.4 NC1CNCC(C1)O Z4465943159 [0,1,0,1,0,0|1,0,1]=4 503 B8R1.4 N[C@H]1CCC[C@H](C1)O Z1203578804 [0,1,0,1,0,0|0,0,2]=4 504 B8R1.4 O=C1CC(CCN1)O Z1198221829 [0,1,0,1,0,0|1,0,1]=4 505 B8R1.4 O[C@@H]1CNC[C@@H](C1)F Z2525157521 [0,1,0,1,0,0|1,0,1]=4 506 B8R1.4 O[C@@H]1CNC[C@@H](C1)O Z1310777672 [0,1,0,1,0,0|1,0,1]=4 507 B8R1.18 CC1CC(C(=O)N1)C Z1203733105 [0,1,0,1,0,0|2,0,0]=4 508 B8R1.18 CC1CC(C(=O)O1)N Z118507726 [0,1,0,1,0,0|2,0,0]=4 509 B8R1.18 CN1CC(CC1=O)O Z1201051099 [0,1,0,1,0,0|1,0,1]=4 510 B8R1.18 NC1CC(=O)N(C1)O Z3806274909 [0,1,0,1,0,0|2,0,0]=4 511 B8R1.18 NC1C[C@@H]([C@@H](C1)O)O Z2830494512 [0,1,0,1,0,0|1,0,1]=4 512 B8R1.18 N[C@@H]1C[C@@H](C[C@H]1O)O Z3576076783 [0,1,0,1,0,0|1,0,1]=4 513 B8R1.18 N[C@H]1C[C@@H]([C@@H](C1)O)O Z1262685736 [0,1,0,1,0,0|1,0,1]=4 514 B8R1.29 CC1(CN(C1=O)O)C Z4512942627 [0,1,0,1,0,0|2,0,0]=4 515 B8R1.40 C=CC(=O)NC1CC1 Z276666586 [0,1,0,1,0,0|0,0,2]=4 516 B8R1.40 NCC(O)CC1CC1 Z2310701824 [0,1,0,1,0,0|1,0,1]=4 517 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O Z2235790965 [0,1,0,1,0,0|2,0,0]=4 518 B8R1.53 CC1(CC(C1)C=O)C Z1511834993 [0,1,0,1,0,0|2,0,0]=4 519 B8R1.62 CC1CC(C1)(C)C=O Z1813377235 [0,1,0,1,0,0|2,0,0]=4 520 B8R1.65 CC1(CC1(C)C=O)C Z1511852399 [0,1,0,1,0,0|2,0,0]=4 521 B8R1.2 BrCC1CCCCO1 Z104484248 [0,1,0,1,0,0|1,0,1]=4 522 B8R1.2 C=CC1CCCCN1 Z2142036752 [0,1,0,1,0,0|1,0,0]=3 523 B8R1.2 C=CC1CCCNC1 Z2740400893 [0,1,0,1,0,0|1,0,0]=3 524 B8R1.2 C=CC1CCNCC1 Z1266933822 [0,1,0,1,0,0|1,0,0]=3 525 B8R1.2 CCC1CNCCO1 Z283724556 [0,1,0,1,0,0|0,0,2]=4 526 B8R1.2 COC1C=CCNC1 Z3615520660 [0,1,0,1,0,0|1,0,0]=3 527 B8R1.2 COC1CCC=CO1 Z995169098 [0,1,0,1,0,0|1,0,1]=4 528 B8R1.2 COC1CNCCO1 Z1203748232 [0,1,0,1,0,0|1,0,1]=4 529 B8R1.2 ClCC1CCOCO1 Z56932992 [0,1,0,1,0,0|1,0,1]=4 530 B8R1.2 ClCC1CNCCO1 Z1198749808 [0,1,0,1,0,0|1,0,1]=4 531 B8R1.2 FCC1CNCCO1 Z1262569974 [0,1,0,1,0,0|1,0,1]=4 532 B8R1.2 N#CC1CCCOC1 Z1079179226 [0,1,0,1,0,0|1,0,1]=4 533 B8R1.2 N#CC1CNCCO1 Z1263820378 [0,1,0,1,0,0|1,0,1]=4 534 B8R1.2 N#CC1CSCCO1 Z1356110445 [0,1,0,1,0,0|1,0,1]=4 535 B8R1.2 NCC1CCCCO1 Z839575544 [0,1,0,1,0,0|1,0,1]=4 536 B8R1.2 NCC1CCOCO1 Z1431005851 [0,1,0,1,0,0|1,0,1]=4 537 B8R1.2 NOC1CCCCO1 Z968560364 [0,1,0,1,0,0|1,0,1]=4 538 B8R1.2 O=CC1=COCCC1 Z432415080 [0,1,0,1,0,0|1,0,1]=4 539 B8R1.2 O=CC1CCC=CO1 Z600389890 [0,1,0,1,0,0|1,0,1]=4 540 B8R1.2 O=CC1CCCCC1 Z104478974 [0,1,0,1,0,0|2,0,0]=4 541 B8R1.2 O=CC1CCCCO1 Z1079442734 [0,1,0,1,0,0|1,0,0]=3 542 B8R1.2 O=CC1CCCOC1 Z1065877672 [0,1,0,1,0,0|1,0,0]=3 543 B8R1.2 O=CC1CCCSC1 Z1255489365 [0,1,0,1,0,0|1,1,0]=4 544 B8R1.2 O=CC1CCOCC1 Z979759508 [0,1,0,1,0,0|2,0,0]=4 545 B8R1.2 O=CC1CCSCC1 Z1201622265 [0,1,0,1,0,0|2,0,0]=4 546 B8R1.2 OCC1C=CCCN1 Z4430264645 [0,1,0,1,0,0|1,0,0]=3 547 B8R1.2 OCC1CC=CCC1 Z104476102 [0,1,0,1,0,0|0,0,2]=4 548 B8R1.2 OCC1CCCCC1 Z104503428 [0,1,0,1,0,0|0,0,2]=4 549 B8R1.2 OCC1CCCCN1 Z104476610 [0,1,0,1,0,0|1,0,1]=4 550 B8R1.2 OCC1CCCCO1 Z104479808 [0,1,0,1,0,0|1,0,1]=4 551 B8R1.2 OCC1CCCNC1 Z104479614 [0,1,0,1,0,0|1,0,1]=4 552 B8R1.2 OCC1CCCOC1 Z445213352 [0,1,0,1,0,0|1,0,1]=4 553 B8R1.2 OCC1CNCCO1 Z1235945999 [0,1,0,1,0,0|1,0,1]=4 554 B8R1.2 OCC1COCCO1 Z1020816972 [0,1,0,1,0,0|1,0,1]=4 555 B8R1.2 OC[C@H]1CCCCN1 Z1203731003 [0,1,0,1,0,0|1,0,1]=4 556 B8R1.3 CC1=CCC(CC1)N Z3857655203 [0,1,0,1,0,0|1,0,1]=4 557 B8R1.3 CC1CCC(CC1)O Z104476106 [0,1,0,1,0,0|0,0,2]=4 558 B8R1.3 CC1CCC(CN1)O Z2350906968 [0,1,0,1,0,0|0,0,2]=4 559 B8R1.3 CC1CCC(CO1)O Z1898581838 [0,1,0,1,0,0|0,0,2]=4 560 B8R1.3 C[C@@H]1CC[C@@H](CN1)O Z2309899176 [0,1,0,1,0,0|0,0,2]=4 561 B8R1.3 C[C@@H]1CC[C@H](CN1)O Z2327179252 [0,1,0,1,0,0|0,0,2]=4 562 B8R1.3 OC1CCC(CC1)O Z1178486717 [0,1,0,1,0,0|0,0,2]=4 563 B8R1.5 CC1CCCCC1=O Z104477192 [0,1,0,1,0,0|1,0,1]=4 564 B8R1.5 CC1CCCCC1O Z104478402 [0,1,0,1,0,0|0,0,2]=4 565 B8R1.5 CC1CCCNC1=O Z1013766916 [0,1,0,1,0,0|2,0,0]=4 566 B8R1.5 CC1CNCCC1=O Z1741969235 [0,1,0,1,0,0|2,0,0]=4 567 B8R1.5 CC1CNCCC1O Z1742055068 [0,1,0,1,0,0|0,0,2]=4 568 B8R1.5 CC1COCCC1=O Z1192338803 [0,1,0,1,0,0|2,0,0]=4 569 B8R1.5 CC1COCCC1O Z1255390393 [0,1,0,1,0,0|0,0,2]=4 570 B8R1.5 CC1NCCCC1O Z2235409289 [0,1,0,1,0,0|0,0,2]=4 571 B8R1.5 CC1SCCCC1=O Z1359849054 [0,1,0,1,0,0|2,0,0]=4 572 B8R1.5 C[C@@H]1CCCC[C@H]1O Z1896168809 [0,1,0,1,0,0|0,0,2]=4 573 B8R1.5 C[C@@H]1CCNC[C@@H]1O Z2307368538 [0,1,0,1,0,0|0,0,2]=4 574 B8R1.5 C[C@@H]1NCCC[C@@H]1O Z2568757708 [0,1,0,1,0,0|0,0,2]=4 575 B8R1.5 C[C@H]1CCCC[C@@H]1O Z1255486326 [0,1,0,1,0,0|0,0,2]=4 576 B8R1.5 NC1CCCCC1=O Z2186882796 [0,1,0,1,0,0|1,0,1]=4 577 B8R1.5 NC1CCCNC1=O Z993991168 [0,1,0,1,0,0|2,0,0]=4 578 B8R1.5 NC1CCOCC1O Z2688974552 [0,1,0,1,0,0|1,0,1]=4 579 B8R1.5 N[C@@H]1CCCC[C@@H]1O Z2235399143 [0,1,0,1,0,0|0,0,2]=4 580 B8R1.5 N[C@@H]1COCC[C@H]1O Z2309916421 [0,1,0,1,0,0|1,0,1]=4 581 B8R1.5 O=C1CCCCC1Cl Z94598693 [0,1,0,1,0,0|1,0,1]=4 582 B8R1.5 O=C1NCCCC1F Z1203749514 [0,1,0,1,0,0|2,0,0]=4 583 B8R1.5 OC1CCCCC1O Z600453486 [0,1,0,1,0,0|0,0,2]=4 584 B8R1.5 OC1CCNCC1F Z1416168950 [0,1,0,1,0,0|1,0,1]=4 585 B8R1.5 OC1NCCCC1F Z3995268169 [0,1,0,1,0,0|1,0,1]=4 586 B8R1.5 O[C@@H]1CCCC[C@H]1O Z2240998867 [0,1,0,1,0,0|0,0,2]=4 587 B8R1.5 O[C@@H]1CNCC[C@H]1F Z2307343627 [0,1,0,1,0,0|1,0,1]=4 588 B8R1.22 OC1CCCNCC1 Z1198309797 [0,1,0,1,0,0|0,0,2]=4 589 B8R1.22 OC1CNCCOC1 Z2234631219 [0,1,0,1,0,0|1,0,1]=4 590 B8R1.38 C=CC(=O)N1CCC1 Z440634168 [0,1,0,1,0,0|0,0,2]=4 591 B8R1.38 CC(C=O)C1CCC1 Z1511780485 [0,1,0,1,0,0|2,0,0]=4 592 B8R1.38 CCC(O)C1CCC1 Z1255407680 [0,1,0,1,0,0|0,0,2]=4 593 B8R1.38 NCC(O)C1CCC1 Z2238624890 [0,1,0,1,0,0|1,0,1]=4 594 B8R1.46 CCN1CC(C1=O)N Z1633398454 [0,1,0,1,0,0|2,0,0]=4 595 B8R1.47 CCC1CC(C1)C=O Z3243131887 [0,1,0,1,0,0|2,0,0]=4 596 B8R1.47 COC1CC(C1)C=O Z1880960307 [0,1,0,1,0,0|2,0,0]=4 597 B8R1.52 C#CC1(CCCC1)O Z57953034 [0,1,0,1,0,0|0,0,2]=4 598 B8R1.52 C=CC1(CCCC1)N Z3042074267 [0,1,0,1,0,0|1,0,0]=3 599 B8R1.52 CC1(CCCC1)C=O Z1255466724 [0,1,0,1,0,0|2,0,0]=4 600 B8R1.52 CC1(CCCO1)C#N Z384972070 [0,1,0,1,0,0|1,0,1]=4 601 B8R1.52 CC1(CCCO1)C=O Z1389061333 [0,1,0,1,0,0|1,0,0]=3 602 B8R1.52 CC1(CCCO1)CN Z1198218662 [0,1,0,1,0,0|1,0,1]=4 603 B8R1.52 CC1(CCCO1)CO Z1389059207 [0,1,0,1,0,0|1,0,1]=4 604 B8R1.52 CC1(CCCS1)C=O Z1455206494 [0,1,0,1,0,0|1,1,0]=4 605 B8R1.52 CC1(CCOC1)C=O Z1511835334 [0,1,0,1,0,0|2,0,0]=4 606 B8R1.52 CCC1(CCNC1)O Z1742055042 [0,1,0,1,0,0|0,0,2]=4 607 B8R1.52 N#CC1(CCCC1)O Z419078448 [0,1,0,1,0,0|1,0,1]=4 608 B8R1.52 NCC1(CCCC1)O Z330827814 [0,1,0,1,0,0|1,0,1]=4 609 B8R1.52 NCC1(CCOC1)O Z1124555593 [0,1,0,1,0,0|1,0,1]=4 610 B8R1.52 NCC1(CCSC1)O Z1333761731 [0,1,0,1,0,0|1,0,1]=4 611 B8R1.52 O=CC1(CCCC1)Br Z1511865834 [0,1,0,1,0,0|2,0,0]=4 612 B8R1.52 OCC1(CCCC1)O Z1258947137 [0,1,0,1,0,0|1,0,1]=4 613 B8R1.52 OCC1(CCOC1)O Z1537124515 [0,1,0,1,0,0|1,0,1]=4 614 B8R1.7 CC(=O)C1CCCC1 Z513735352 [0,1,0,1,0,0|1,0,1]=4 615 B8R1.7 CC(N)C1CCCO1 Z318730550 [0,1,0,1,0,0|0,0,2]=4 616 B8R1.7 N=C(N)C1CCCC1 Z1266823290 [0,1,0,1,0,0|2,0,0]=4 617 B8R1.7 N=C(N)C1CCCO1 Z1582263149 [0,1,0,1,0,0|1,0,0]=3 618 B8R1.7 NC(=O)C1CCCC1 Z33546657 [0,1,0,1,0,0|2,0,0]=4 619 B8R1.7 NC(=O)C1CCCN1 Z56945990 [0,1,0,1,0,0|2,0,0]=4 620 B8R1.7 NC(=O)C1CCCO1 Z33545380 [0,1,0,1,0,0|1,0,0]=3 621 B8R1.7 O=C(O)C1CCCC1 Z104476116 [0,1,0,1,0,0|2,0,0]=4 622 B8R1.7 O=C(O)C1CCCN1 Z104476886 [0,1,0,1,0,0|2,0,0]=4 623 B8R1.7 O=C(O)C1CCCO1 Z104486102 [0,1,0,1,0,0|1,0,0]=3 624 B8R1.7 O=C(O)C1CCCS1 Z1198330300 [0,1,0,1,0,0|1,1,0]=4 625 B8R1.7 O=C(O)C1CCNO1 Z3182027847 [0,1,0,1,0,0|2,0,0]=4 626 B8R1.7 O=C(O)C1OCCO1 Z1198167310 [0,1,0,1,0,0|2,0,0]=4 627 B8R1.7 O=C(O)[C@@H]1CCCN1 Z756429958 [0,1,0,1,0,0|2,0,0]=4 628 B8R1.7 O=C(O)[C@H]1CCCN1 Z933632584 [0,1,0,1,0,0|2,0,0]=4 629 B8R1.19 CC1(CCCC1=O)C Z1238544226 [0,1,0,1,0,0|2,0,0]=4 630 B8R1.19 C[C@]1(CCC[C@H]1O)O Z3037315217 [0,1,0,1,0,0|0,0,2]=4 631 B8R1.23 CC1CC(C1)C(=O)O Z1198158393 [0,1,0,1,0,0|2,0,0]=4 632 B8R1.30 C[C@@H]1C[C@]1(N)C(=O)O Z4134701167 [0,1,0,1,0,0|2,0,0]=4 633 B8R1.37 C#CCC(O)C1CC1 Z969111584 [0,1,0,1,0,0|0,0,2]=4 634 B8R1.37 CNCC(O)C1CC1 Z1020680710 [0,1,0,1,0,0|0,0,2]=4 635 B8R1.37 COCC(O)C1CC1 Z1172090355 [0,1,0,1,0,0|0,0,2]=4 636 B8R1.54 CC(C(=O)O)C1CC1 Z792377292 [0,1,0,1,0,0|2,0,0]=4 637 B8R1.54 NC(=O)C(N)C1CC1 Z3183923231 [0,1,0,1,0,0|2,0,0]=4 638 B8R1.54 NC(=O)C(O)C1CC1 Z965049350 [0,1,0,1,0,0|1,0,0]=3 639 B8R1.54 NC(C(=O)O)C1CC1 Z1273089257 [0,1,0,1,0,0|2,0,0]=4 640 B8R1.54 O=C(O)C(O)C1CC1 Z802856440 [0,1,0,1,0,0|1,0,0]=3 641 B8R1.78 CC1(CCC1)C(=O)O Z1205493900 [0,1,0,1,0,0|2,0,0]=4 642 B8R1.78 NC(=O)C1(CCC1)N Z1483991927 [0,1,0,1,0,0|2,0,0]=4 643 B8R1.78 NC(=O)C1(CNC1)O Z2680628867 [0,1,0,1,0,0|2,0,0]=4 644 B8R1.78 NC1(CCC1)C(=O)O Z1431905448 [0,1,0,1,0,0|2,0,0]=4 645 B8R1.78 O=C(O)C1(CCC1)Br Z220564362 [0,1,0,1,0,0|2,0,0]=4 646 B8R1.78 O=C(O)C1(CCC1)O Z220564366 [0,1,0,1,0,0|1,0,0]=3 647 B8R1.78 O=C(O)C1(CNC1)O Z2630949328 [0,1,0,1,0,0|2,0,0]=4 648 B8R1.6 CCCC1CC(=O)N1 Z1198168176 [0,1,0,1,0,0|1,0,1]=4 649 B8R1.8 CCCC1=NC=CN1 Z1201043633 [0,1,0,1,0,0|1,0,1]=4 650 B8R1.8 CNCC1=CC=CO1 Z57051072 [0,1,0,1,0,0|1,0,1]=4 651 B8R1.8 CNCC1=COC=C1 Z385447092 [0,1,0,1,0,0|1,0,1]=4 652 B8R1.8 CNCC1=NC=CO1 Z5810628036 [0,1,0,1,0,0|1,0,1]=4 653 B8R1.8 CNCC1=NOC=C1 Z802903302 [0,1,0,1,0,0|1,0,1]=4 654 B8R1.8 CNCC1CCCO1 Z137696198 [0,1,0,1,0,0|0,0,2]=4 655 B8R1.8 COCC1C=CCN1 Z4442497224 [0,1,0,1,0,0|2,0,0]=4 656 B8R1.8 N#CCC1CCCO1 Z94601183 [0,1,0,1,0,0|0,0,2]=4 657 B8R1.8 NCCC1=CC=CO1 Z1694636467 [0,1,0,1,0,0|1,0,1]=4 658 B8R1.8 NCCC1=COC=C1 Z2310701825 [0,1,0,1,0,0|1,0,1]=4 659 B8R1.8 NCCC1=NC=CO1 Z4925106850 [0,1,0,1,0,0|1,0,1]=4 660 B8R1.8 NCCC1CC=CC1 Z2310699161 [0,1,0,1,0,0|2,0,0]=4 661 B8R1.8 NCCC1CCCO1 Z1245635808 [0,1,0,1,0,0|0,0,2]=4 662 B8R1.8 O=CCC1CCCC1 Z993017732 [0,1,0,1,0,0|1,0,1]=4 663 B8R1.8 O=CCC1CCCO1 Z1183458964 [0,1,0,1,0,0|0,0,1]=3 664 B8R1.8 OCCC1=CC=CO1 Z1179944660 [0,1,0,1,0,0|1,0,1]=4 665 B8R1.8 OCCC1=COC=C1 Z1179944659 [0,1,0,1,0,0|1,0,1]=4 666 B8R1.8 OCCC1CCCO1 Z1183459210 [0,1,0,1,0,0|0,0,2]=4 667 B8R1.11 C=CN1CCCC1=O Z104475034 [0,1,0,1,0,0|0,0,2]=4 668 B8R1.11 C=C[C@@H]1CCC[C@H]1O Z3015056914 [0,1,0,1,0,0|0,0,0]=2 669 B8R1.11 C=C[C@H]1CNC[C@H]1O Z5042750192 [0,1,0,1,0,0|1,0,0]=3 670 B8R1.11 CC1CCCC1C=O Z1268606470 [0,1,0,1,0,0|1,0,1]=4 671 B8R1.11 CCC1CCCC1=O Z813018310 [0,1,0,1,0,0|2,0,0]=4 672 B8R1.11 CCC1CNCC1O Z1509030677 [0,1,0,1,0,0|0,0,2]=4 673 B8R1.11 COC1CCCC1O Z854223428 [0,1,0,1,0,0|0,0,2]=4 674 B8R1.11 CO[C@@H]1CCC[C@@H]1N Z3847443224 [0,1,0,1,0,0|1,0,1]=4 675 B8R1.11 CO[C@@H]1CCC[C@H]1N Z2235777878 [0,1,0,1,0,0|1,0,1]=4 676 B8R1.11 CO[C@@H]1CCC[C@H]1O Z2286637815 [0,1,0,1,0,0|0,0,2]=4 677 B8R1.11 CO[C@H]1CCC[C@@H]1N Z905269870 [0,1,0,1,0,0|1,0,1]=4 678 B8R1.11 CO[C@H]1CCC[C@@H]1O Z1162417007 [0,1,0,1,0,0|0,0,2]=4 679 B8R1.11 N#CC1CCCC1=O Z951172672 [0,1,0,1,0,0|2,0,0]=4 680 B8R1.11 N#CC1CCCC1O Z409438998 [0,1,0,1,0,0|0,0,2]=4 681 B8R1.11 NCC1CCCC1O Z409444212 [0,1,0,1,0,0|0,0,2]=4 682 B8R1.11 NN[C@@H]1CCC[C@H]1O Z2350387396 [0,1,0,1,0,0|1,0,1]=4 683 B8R1.11 N[C@H]1CCC[C@H]1CO Z1198220662 [0,1,0,1,0,0|1,0,1]=4 684 B8R1.11 O=C1CCCN1CO Z56755633 [0,1,0,1,0,0|2,0,0]=4 685 B8R1.11 O=C1NCCC1CO Z1203746842 [0,1,0,1,0,0|2,0,0]=4 686 B8R1.66 CCCC1(CNC1)O Z3325252873 [0,1,0,1,0,0|0,0,2]=4 687 B8R1.66 CNCC1(CCC1)O Z1436535807 [0,1,0,1,0,0|0,0,2]=4 688 B8R1.39 NC1(CC1)C(O)CO Z4280384138 [0,1,0,1,0,0|1,0,1]=4 689 B8R1.39 NCC(O)C1(CC1)Cl Z4312159091 [0,1,0,1,0,0|1,0,1]=4 690 B8R1.28 CC(C)(C=O)C1CC1 Z2301244390 [0,1,0,1,0,0|2,0,0]=4 691 B8R1.28 CC(O)(CN)C1CC1 Z419084898 [0,1,0,1,0,0|1,0,1]=4 692 B8R1.72 CC1(C=CCCC1)O Z1691624687 [0,1,0,1,0,0|0,0,0]=2 693 B8R1.72 CC1(CCCCC1)O Z449370586 [0,1,0,1,0,0|0,0,2]=4 694 B8R1.33 C=CC(NC)C1CC1 Z4497756151 [0,1,0,1,0,0|1,0,0]=3 695 B8R1.33 COC(C=O)C1CC1 Z2178582006 [0,1,0,1,0,0|1,0,0]=3 696 B8R1.33 NCC(CO)C1CC1 Z3013804042 [0,1,0,1,0,0|1,0,1]=4 697 B8R1.60 CCC1(CCC1)C=O Z1222425042 [0,1,0,1,0,0|2,0,0]=4 698 B8R1.60 COC1(CCC1)C#N Z1270206919 [0,1,0,1,0,0|1,0,1]=4 699 B8R1.60 COC1(CCC1)C=O Z2098816729 [0,1,0,1,0,0|1,0,0]=3 700 B8R1.60 COC1(CCC1)CO Z2098817254 [0,1,0,1,0,0|1,0,1]=4 701 B8R1.60 COC1(CCC1)OC Z1614786334 [0,1,0,1,0,0|1,0,1]=4 702 B8R1.60 CSC1(CCC1)C=O Z1511824130 [0,1,0,1,0,0|1,1,0]=4 703 B8R1.60 O=CC1(CCC1)CCl Z2301248860 [0,1,0,1,0,0|2,0,0]=4 704 B8R1.60 O=CC1(CCC1)CF Z3243589447 [0,1,0,1,0,0|2,0,0]=4 705 B8R2.34 C1=CC2CC1CN2 Z2677505952 [0,0,0,2,0,0|1,0,0]=3 706 B8R2.34 C1O[C@@H]2CN[C@H]1C2 Z1198157093 [0,0,0,2,0,0|1,0,1]=4 707 B8R2.2 C[C@]12CCC[C@H]1O2 Z4597543898 [0,0,0,2,0,0|0,0,2]=4 708 B8R2.25 C1=CCC2OC2C1 Z2375612263 [0,0,0,2,0,0|0,0,2]=4 709 B8R2.25 C1CC2OC2CO1 Z440605384 [0,0,0,2,0,0|1,0,1]=4 710 B8R2.25 C1CCC2OC2C1 Z239871664 [0,0,0,2,0,0|0,0,2]=4 711 B8R2.20 O=CC1CC12CC2 Z1511749648 [0,0,0,2,0,0|2,0,0]=4 712 B8R2.31 O=CC12CC(C1)C2 Z1511777490 [0,0,0,2,0,0|2,0,0]=4 713 B8R2.41 OC1(CC1)C2CC2 Z995000298 [0,0,0,2,0,0|0,0,2]=4