0 B5R0.1 C#CCC(C)N Z3490223481 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.1 C#CCC(C)O Z969111576 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.1 C=CCC(C)N Z1269638561 [0,0,0,0,0,0|3,0,0]=3 3 B5R0.1 CC(=CC#N)C Z851014248 [0,0,0,0,0,0|2,0,2]=4 4 B5R0.1 CC(=CCN)C Z1827897919 [0,0,0,0,0,0|2,0,2]=4 5 B5R0.1 CC(C)CC#N Z104473272 [0,0,0,0,0,0|2,0,1]=3 6 B5R0.1 CC(C)CCO Z104473558 [0,0,0,0,0,0|1,0,2]=3 7 B5R0.1 CC(C)N=C=S Z56964589 [0,0,0,0,0,0|1,1,1]=3 8 B5R0.1 CC(C)NC=O Z1201617634 [0,0,0,0,0,0|1,0,0]=1 9 B5R0.1 CC(N)CC#N Z1267773800 [0,0,0,0,0,0|3,0,1]=4 10 B5R0.1 CC(N)CCO Z385458430 [0,0,0,0,0,0|2,0,2]=4 11 B5R0.1 CC(O)CC#N Z847151284 [0,0,0,0,0,0|3,0,1]=4 12 B5R0.1 CC(O)CCN Z802904114 [0,0,0,0,0,0|3,0,1]=4 13 B5R0.1 CC(O)CCO Z104473530 [0,0,0,0,0,0|2,0,2]=4 14 B5R0.1 CCCC(C)N Z2417819590 [0,0,0,0,0,0|3,0,1]=4 15 B5R0.1 CN(C)CCF Z5487577684 [0,0,0,0,0,0|3,0,1]=4 16 B5R0.1 CN(C)CCO Z104473552 [0,0,0,0,0,0|2,0,2]=4 17 B5R0.1 CN(C)CCS Z362025514 [0,0,0,0,0,0|2,1,1]=4 18 B5R0.1 CNCC(C)C Z951367674 [0,0,0,0,0,0|3,0,0]=3 19 B5R0.1 CNCC(C)N Z1413780485 [0,0,0,0,0,0|4,0,0]=4 20 B5R0.1 CNCC(C)O Z138692700 [0,0,0,0,0,0|4,0,0]=4 21 B5R0.1 COCC(C)O Z825742124 [0,0,0,0,0,0|4,0,0]=4 22 B5R0.1 COC[C@@H](C)N Z1270482298 [0,0,0,0,0,0|4,0,0]=4 23 B5R0.1 COC[C@H](C)N Z1270502316 [0,0,0,0,0,0|4,0,0]=4 24 B5R0.1 CSCC(C)O Z732208306 [0,0,0,0,0,0|4,0,0]=4 25 B5R0.1 C[C@@H](N)CCO Z1526453858 [0,0,0,0,0,0|2,0,2]=4 26 B5R0.1 C[C@@H](O)CCN Z1860991703 [0,0,0,0,0,0|3,0,1]=4 27 B5R0.1 N=C(N)NC=O Z1203578554 [0,0,0,0,0,0|3,0,1]=4 28 B4R0.1 C#CC(C)O Z1251193370 [1,0,0,0,0,0|2,0,1]=4 29 B4R0.1 C=CC(=C)C Z104474660 [1,0,0,0,0,0|1,0,2]=4 30 B4R0.1 C=CC(C)N Z1446855743 [1,0,0,0,0,0|2,0,0]=3 31 B4R0.1 CC(=O)C=O Z104495190 [1,0,0,0,0,0|1,0,1]=3 32 B4R0.1 CC(C)NO Z1198161074 [1,0,0,0,0,0|1,0,1]=3 33 B4R0.1 CC(F)CN Z2941405027 [1,0,0,0,0,0|2,0,1]=4 34 B4R0.1 CC(N)CF Z2096088772 [1,0,0,0,0,0|2,0,1]=4 35 B4R0.1 CC(N)CN Z104474490 [1,0,0,0,0,0|2,0,1]=4 36 B4R0.1 CC(O)CN Z104477092 [1,0,0,0,0,0|2,0,1]=4 37 B4R0.1 CC(O)CO Z106938868 [1,0,0,0,0,0|1,0,2]=4 38 B4R0.1 CCC(C)N Z104472234 [1,0,0,0,0,0|2,0,1]=4 39 B4R0.1 CC[C@@H](C)O Z1203162396 [1,0,0,0,0,0|2,0,1]=4 40 B4R0.1 CN(C)C#N Z1255394988 [1,0,0,0,0,0|2,0,1]=4 41 B4R0.1 CN(C)N=O Z1255485177 [1,0,0,0,0,0|2,0,0]=3 42 B4R0.1 C[C@@H](N)CN Z3234812272 [1,0,0,0,0,0|2,0,1]=4 43 B4R0.1 C[C@@H](N)CO Z346076140 [1,0,0,0,0,0|1,0,2]=4 44 B4R0.1 C[C@@H](O)CO Z1255486379 [1,0,0,0,0,0|1,0,2]=4 45 B4R0.1 C[C@H](N)CN Z1741977335 [1,0,0,0,0,0|2,0,1]=4 46 B4R0.1 C[C@H](O)CN Z1203577967 [1,0,0,0,0,0|2,0,1]=4 47 B4R0.1 C[C@H](O)CO Z1255449993 [1,0,0,0,0,0|1,0,2]=4 48 B4R0.2 CCCC#N Z238878246 [1,0,0,0,0,0|2,0,1]=4 49 B4R0.2 CCCCN Z104474314 [1,0,0,0,0,0|2,0,1]=4 50 B4R0.2 CCCCO Z104473488 [1,0,0,0,0,0|1,0,2]=4 51 B4R0.2 CCCNN Z415728048 [1,0,0,0,0,0|3,0,0]=4 52 B4R0.2 NC/C=C/Cl Z2941400887 [1,0,0,0,0,0|3,0,0]=4 53 B6R0.1 C=CCC(N)CC Z1981870426 [0,1,0,0,0,0|3,0,0]=4 54 B6R0.1 C=CCC(N)CO Z1815149150 [0,1,0,0,0,0|3,0,0]=4 55 B6R0.1 C=CCC(O)CC Z808662120 [0,1,0,0,0,0|3,0,0]=4 56 B6R0.1 CC(CN)CCO Z1203581915 [0,1,0,0,0,0|1,0,2]=4 57 B6R0.1 CC(CO)CCN Z5410631465 [0,1,0,0,0,0|2,0,1]=4 58 B6R0.1 CCC(C)CNC Z1266854907 [0,1,0,0,0,0|3,0,0]=4 59 B6R0.1 CCC(C)N=C=S Z323038722 [0,1,0,0,0,0|1,1,1]=4 60 B6R0.1 CCCC(C)NC Z394693580 [0,1,0,0,0,0|2,0,1]=4 61 B6R0.1 CCNC(C)CC Z2509351098 [0,1,0,0,0,0|2,0,1]=4 62 B6R0.1 CCOC(C)CN Z844631802 [0,1,0,0,0,0|1,0,1]=3 63 B6R0.1 CNC(C)CC#N Z666295372 [0,1,0,0,0,0|2,0,1]=4 64 B6R0.1 CNC(C)CCO Z1198266877 [0,1,0,0,0,0|1,0,2]=4 65 B6R0.1 CNC(C)COC Z815264298 [0,1,0,0,0,0|3,0,0]=4 66 B6R0.1 CNC(C)CSC Z995116552 [0,1,0,0,0,0|3,0,0]=4 67 B6R0.1 CNCC(C)OC Z2065788390 [0,1,0,0,0,0|3,0,0]=4 68 B6R0.1 COC(C)CC#N Z847151020 [0,1,0,0,0,0|2,0,1]=4 69 B6R0.1 COC(C)CCN Z802903932 [0,1,0,0,0,0|2,0,1]=4 70 B6R0.1 COCC(C)CO Z1192375999 [0,1,0,0,0,0|3,0,0]=4 71 B6R0.1 CSC(C)CCN Z732208464 [0,1,0,0,0,0|2,0,1]=4 72 B6R0.1 CSC(C)CCO Z1262258908 [0,1,0,0,0,0|1,0,2]=4 73 B6R0.1 CSCC(C)CN Z732208434 [0,1,0,0,0,0|3,0,0]=4 74 B6R0.1 CSCC(C)CO Z1270310211 [0,1,0,0,0,0|3,0,0]=4 75 B6R0.2 C/C(=C/C(=O)O)/I Z1508917269 [0,1,0,0,0,0|2,0,1]=4 76 B6R0.2 C=C(C)CC(=O)O Z295890066 [0,1,0,0,0,0|1,0,2]=4 77 B6R0.2 CC(=CC(=O)N)C Z33546934 [0,1,0,0,0,0|1,0,1]=3 78 B6R0.2 CC(=CC(=O)O)C Z104480144 [0,1,0,0,0,0|1,0,1]=3 79 B6R0.2 CC(=O)/C=C(/C)\N Z56858245 [0,1,0,0,0,0|2,0,1]=4 80 B6R0.2 CC(=O)CC(C)N Z57329385 [0,1,0,0,0,0|2,0,0]=3 81 B6R0.2 CC(=O)NC(=O)N Z104476284 [0,1,0,0,0,0|2,0,1]=4 82 B6R0.2 CC(C)CB(O)O Z1098324138 [0,1,0,0,0,0|2,0,1]=4 83 B6R0.2 CC(C)CC(=N)N Z1346385639 [0,1,0,0,0,0|2,0,0]=3 84 B6R0.2 CC(C)CC(=O)N Z33546511 [0,1,0,0,0,0|1,0,0]=2 85 B6R0.2 CC(C)CC(=O)O Z104474910 [0,1,0,0,0,0|1,0,0]=2 86 B6R0.2 CC(C)NC(=N)N Z1650168329 [0,1,0,0,0,0|2,0,0]=3 87 B6R0.2 CC(C)NC(=O)N Z56887677 [0,1,0,0,0,0|1,0,0]=2 88 B6R0.2 CC(C)NC(=S)N Z56979374 [0,1,0,0,0,0|1,1,0]=3 89 B6R0.2 CC(N)CC(=O)N Z594220690 [0,1,0,0,0,0|2,0,0]=3 90 B6R0.2 CC(N)CC(=O)O Z147647144 [0,1,0,0,0,0|2,0,0]=3 91 B6R0.2 CC(N)CS(=O)C Z1238793449 [0,1,0,0,0,0|3,0,0]=4 92 B6R0.2 CN(C)CC(=O)N Z54750057 [0,1,0,0,0,0|2,0,0]=3 93 B6R0.2 CN(C)CC(=O)O Z235580496 [0,1,0,0,0,0|2,0,0]=3 94 B6R0.2 CS(=O)CC(=O)N Z1203581973 [0,1,0,0,0,0|3,0,0]=4 95 B6R0.2 C[C@H](N)CC(=O)O Z1741969208 [0,1,0,0,0,0|2,0,0]=3 96 B6R0.3 C#CC(N)C(C)C Z1982493902 [0,1,0,0,0,0|2,0,1]=4 97 B6R0.3 C#C[C@@H](N)C(C)C Z4351247948 [0,1,0,0,0,0|2,0,1]=4 98 B6R0.3 CC(C)C(=O)NN Z56926537 [0,1,0,0,0,0|3,0,0]=4 99 B6R0.3 CC(C)C(C)C#N Z415654752 [0,1,0,0,0,0|2,0,1]=4 100 B6R0.3 CC(C)C(C)CN Z415654990 [0,1,0,0,0,0|2,0,1]=4 101 B6R0.3 CC(C)C(N)C#N Z1266854874 [0,1,0,0,0,0|2,0,1]=4 102 B6R0.3 CC(C)C(N)CN Z1266933925 [0,1,0,0,0,0|2,0,1]=4 103 B6R0.3 CC(C)C(O)C#N Z802900598 [0,1,0,0,0,0|2,0,1]=4 104 B6R0.3 CC(C)C(O)CN Z1255523288 [0,1,0,0,0,0|2,0,1]=4 105 B6R0.3 CC(C)N(C)C=O Z1258520821 [0,1,0,0,0,0|1,0,0]=2 106 B6R0.3 CC(C)[C@@H](N)C#N Z1695797928 [0,1,0,0,0,0|2,0,1]=4 107 B6R0.3 CC(C)[C@H](N)C#N Z1708090079 [0,1,0,0,0,0|2,0,1]=4 108 B6R0.3 CC(C)[C@H](N)CO Z1741982893 [0,1,0,0,0,0|1,0,2]=4 109 B6R0.3 CCC(N)C(C)C Z823287438 [0,1,0,0,0,0|2,0,1]=4 110 B6R0.3 CCC(O)C(C)C Z445987082 [0,1,0,0,0,0|2,0,1]=4 111 B6R0.3 CNC(C)C(C)C Z139701846 [0,1,0,0,0,0|3,0,0]=4 112 B6R0.3 COC(=N)C(C)C Z2944341356 [0,1,0,0,0,0|3,0,0]=4 113 B6R0.4 C#CCNC(C)C Z2855995857 [0,1,0,0,0,0|2,0,1]=4 114 B6R0.4 C=CCCC(C)N Z3681295487 [0,1,0,0,0,0|3,0,0]=4 115 B6R0.4 C=CCNC(C)C Z607822478 [0,1,0,0,0,0|2,0,0]=3 116 B6R0.4 C=COCC(C)C Z916978390 [0,1,0,0,0,0|1,0,0]=2 117 B6R0.4 CC(C)CCCN Z992716898 [0,1,0,0,0,0|2,0,1]=4 118 B6R0.4 CC(C)CN=C=S Z87001659 [0,1,0,0,0,0|1,1,1]=4 119 B6R0.4 CC(C)NCC#N Z224190250 [0,1,0,0,0,0|2,0,1]=4 120 B6R0.4 CC(C)NCCN Z3375885739 [0,1,0,0,0,0|2,0,1]=4 121 B6R0.4 CC(C)NCCO Z137800940 [0,1,0,0,0,0|1,0,2]=4 122 B6R0.4 CC(C)OCC#N Z295206482 [0,1,0,0,0,0|1,0,1]=3 123 B6R0.4 CC(C)OCCN Z1688198421 [0,1,0,0,0,0|1,0,1]=3 124 B6R0.4 CC(C)OCCO Z104478444 [0,1,0,0,0,0|0,0,2]=3 125 B6R0.4 CC(C)SCCN Z2092369402 [0,1,0,0,0,0|1,1,1]=4 126 B6R0.4 CCNCC(C)C Z380844664 [0,1,0,0,0,0|2,0,1]=4 127 B6R0.4 CCOCC(C)N Z839575202 [0,1,0,0,0,0|2,0,1]=4 128 B6R0.4 CNCCC(C)C Z607822512 [0,1,0,0,0,0|2,0,1]=4 129 B6R0.5 C#CCC(C)(C)N Z3210767531 [0,1,0,0,0,0|2,0,1]=4 130 B6R0.5 C#CCC(C)(C)O Z1098923701 [0,1,0,0,0,0|2,0,1]=4 131 B6R0.5 CC#CC(C)(C)N Z1203578926 [0,1,0,0,0,0|2,0,1]=4 132 B6R0.5 CC(C)(F)CCN Z2515207542 [0,1,0,0,0,0|2,0,1]=4 133 B6R0.5 CC(C)(N)/C=C/Cl Z2827897660 [0,1,0,0,0,0|2,0,0]=3 134 B6R0.5 CC(C)(N)CCF Z4297373689 [0,1,0,0,0,0|2,0,1]=4 135 B6R0.5 CC(C)(N)CCN Z2218555716 [0,1,0,0,0,0|2,0,1]=4 136 B6R0.5 CC(C)(N)CCO Z1198183553 [0,1,0,0,0,0|1,0,2]=4 137 B6R0.5 CC(C)(O)CC#N Z1182322175 [0,1,0,0,0,0|2,0,1]=4 138 B6R0.5 CCCC(C)(C)N Z1262250787 [0,1,0,0,0,0|2,0,1]=4 139 B6R0.5 CCCC(C)(C)O Z449374450 [0,1,0,0,0,0|2,0,1]=4 140 B6R0.5 CNCC(C)(C)C Z992717054 [0,1,0,0,0,0|3,0,0]=4 141 B6R0.5 CNCC(C)(C)O Z600453550 [0,1,0,0,0,0|3,0,0]=4 142 B6R0.5 COCC(C)(C)N Z1258578421 [0,1,0,0,0,0|3,0,0]=4 143 B6R1.2 CC1=CC=CO1 Z104472456 [0,0,0,1,0,0|1,0,2]=4 144 B6R1.2 CC1=CN=CO1 Z1198180653 [0,0,0,1,0,0|1,0,2]=4 145 B6R1.2 CC1CCCN1 Z1274177652 [0,0,0,1,0,0|2,0,1]=4 146 B6R1.2 CC1CCNC1 Z729771722 [0,0,0,1,0,0|2,0,1]=4 147 B6R1.2 CC1CNNC1 Z4953319766 [0,0,0,1,0,0|3,0,0]=4 148 B6R1.2 NC1C=CCC1 Z2679312470 [0,0,0,1,0,0|3,0,0]=4 149 B6R1.2 NC1CC=CC1 Z1416200863 [0,0,0,1,0,0|3,0,0]=4 150 B6R1.2 N[C@@H]1C=CCC1 Z1203585093 [0,0,0,1,0,0|3,0,0]=4 151 B6R1.2 OC1C=CCC1 Z1255485846 [0,0,0,1,0,0|3,0,0]=4 152 B6R1.3 NCCC1CC1 Z1267773823 [0,0,0,1,0,0|2,0,1]=4 153 B6R1.3 O=C=NC1CC1 Z316172632 [0,0,0,1,0,0|1,0,1]=3 154 B6R1.3 O=CCC1CC1 Z905066058 [0,0,0,1,0,0|1,0,0]=2 155 B6R1.3 OCCC1CC1 Z826525694 [0,0,0,1,0,0|1,0,2]=4 156 B6R1.5 CC1CC(C1)N Z1357823942 [0,0,0,1,0,0|2,0,1]=4 157 B6R1.5 CC1CC(N1)C Z2143576622 [0,0,0,1,0,0|2,0,1]=4 158 B6R1.8 CC1CC1C#N Z1079178904 [0,0,0,1,0,0|2,0,1]=4 159 B6R1.8 CC1CC1C=O Z1079442440 [0,0,0,1,0,0|1,0,0]=2 160 B6R1.8 CC1CC1CN Z415636622 [0,0,0,1,0,0|2,0,1]=4 161 B6R1.8 CC1CC1CO Z397587430 [0,0,0,1,0,0|1,0,2]=4 162 B6R1.8 C[C@H]1C[C@@H]1C=O Z1511765506 [0,0,0,1,0,0|1,0,0]=2 163 B6R1.8 C[C@H]1C[C@H]1C=O Z1511760860 [0,0,0,1,0,0|1,0,0]=2 164 B6R1.8 O=CC1CC1Cl Z1262480603 [0,0,0,1,0,0|2,0,0]=3 165 B6R1.8 O=C[C@@H]1C[C@H]1Cl Z4541248007 [0,0,0,1,0,0|2,0,0]=3 166 B6R1.9 CC1(CC1N)C Z1259335876 [0,0,0,1,0,0|2,0,1]=4 167 B6R1.9 CC1OC1(C)C Z1255419606 [0,0,0,1,0,0|1,0,1]=3 168 B6R1.10 CC1(CCN1)C Z1198749898 [0,0,0,1,0,0|2,0,1]=4 169 B6R1.10 CC1(CNC1)C Z2142036999 [0,0,0,1,0,0|3,0,0]=4 170 B6R1.11 CC(C)C1CO1 Z1020679856 [0,0,0,1,0,0|1,0,2]=4 171 B3R0.1 C=CCO Z104473976 [2,0,0,0,0,0|2,0,0]=4 172 B3R0.2 CC(=O)N Z33546370 [2,0,0,0,0,0|1,0,1]=4 173 B3R0.2 CC(=O)O Z1954803614 [2,0,0,0,0,0|1,0,1]=4 174 B3R0.2 CC(=O)[S-] Z1142554016 [2,0,0,0,0,0|1,0,1]=4 175 B5R0.3 C=CC(N)CO Z2146514374 [1,1,0,0,0,0|2,0,0]=4 176 B5R0.3 CC(C#N)CO Z406338220 [1,1,0,0,0,0|1,0,1]=4 177 B5R0.3 CC(CN)CN Z951173758 [1,1,0,0,0,0|1,0,1]=4 178 B5R0.3 CC(CN)CO Z406342068 [1,1,0,0,0,0|0,0,2]=4 179 B5R0.3 CC(CO)CS Z1262475362 [1,1,0,0,0,0|0,0,2]=4 180 B5R0.3 CCC(C)CN Z2350903977 [1,1,0,0,0,0|1,0,1]=4 181 B5R0.3 CCC(C)NC Z594038230 [1,1,0,0,0,0|1,0,1]=4 182 B5R0.3 CCN(C)C=O Z1258520870 [1,1,0,0,0,0|1,0,0]=3 183 B5R0.3 CCN(C)N=O Z1198147516 [1,1,0,0,0,0|2,0,0]=4 184 B5R0.3 CNC(C)CN Z941154208 [1,1,0,0,0,0|1,0,1]=4 185 B5R0.3 COC(C)CN Z1795817756 [1,1,0,0,0,0|0,0,1]=3 186 B5R0.3 COC(C)CO Z1198150719 [1,1,0,0,0,0|0,0,1]=3 187 B5R0.3 CSC(C)CN Z844632970 [1,1,0,0,0,0|0,1,1]=4 188 B5R0.3 CSC(C)CO Z1273053291 [1,1,0,0,0,0|0,0,2]=4 189 B5R0.4 C#CC(C)(C)O Z1245735173 [1,1,0,0,0,0|1,0,1]=4 190 B5R0.4 C=CC(C)(C)N Z2940715337 [1,1,0,0,0,0|1,0,0]=3 191 B5R0.4 CC(C)(C)C#N Z278179882 [1,1,0,0,0,0|1,0,1]=4 192 B5R0.4 CC(C)(C)CN Z291234094 [1,1,0,0,0,0|1,0,1]=4 193 B5R0.4 CC(C)(C)CO Z397587176 [1,1,0,0,0,0|0,0,2]=4 194 B5R0.4 CC(C)(F)C#N Z1198369138 [1,1,0,0,0,0|1,0,1]=4 195 B5R0.4 CC(C)(N)C#N Z57176535 [1,1,0,0,0,0|1,0,1]=4 196 B5R0.4 CC(C)(N)CN Z1266854946 [1,1,0,0,0,0|1,0,1]=4 197 B5R0.4 CC(C)(O)C#N Z104473082 [1,1,0,0,0,0|1,0,1]=4 198 B5R0.4 CC(C)(O)CO Z600454414 [1,1,0,0,0,0|0,0,2]=4 199 B5R0.4 CCC(C)(C)N Z104480062 [1,1,0,0,0,0|1,0,1]=4 200 B5R0.4 CCC(C)(C)O Z104473496 [1,1,0,0,0,0|1,0,1]=4 201 B5R0.5 CC(=N)N(C)C Z1428159819 [1,1,0,0,0,0|2,0,0]=4 202 B5R0.5 CC(=O)C(=O)O Z104495240 [1,1,0,0,0,0|1,0,1]=4 203 B5R0.5 CC(=O)C(C)N Z1263529525 [1,1,0,0,0,0|1,0,0]=3 204 B5R0.5 CC(Br)C(=O)O Z57127555 [1,1,0,0,0,0|1,0,0]=3 205 B5R0.5 CC(C)C(=N)N Z381357616 [1,1,0,0,0,0|1,0,0]=3 206 B5R0.5 CC(C)C(=O)N Z57046209 [1,1,0,0,0,0|0,0,0]=2 207 B5R0.5 CC(C)C(=O)O Z104473380 [1,1,0,0,0,0|0,0,0]=2 208 B5R0.5 CC(C)[N+](=O)[O-] Z104474978 [1,1,0,0,0,0|1,0,0]=3 209 B5R0.5 CC(Cl)C(=O)N Z56924427 [1,1,0,0,0,0|1,0,0]=3 210 B5R0.5 CC(Cl)C(=O)O Z147646840 [1,1,0,0,0,0|1,0,0]=3 211 B5R0.5 CC(N)C(=O)N Z54749436 [1,1,0,0,0,0|1,0,0]=3 212 B5R0.5 CC(N)C(=O)O Z57396987 [1,1,0,0,0,0|1,0,0]=3 213 B5R0.5 CC(O)C(=N)N Z2216711526 [1,1,0,0,0,0|2,0,0]=4 214 B5R0.5 CC(O)C(=O)N Z57206008 [1,1,0,0,0,0|1,0,0]=3 215 B5R0.5 CC(S)C(=O)O Z104477082 [1,1,0,0,0,0|1,0,0]=3 216 B5R0.5 CN(C)C(=N)N Z1839480548 [1,1,0,0,0,0|2,0,0]=4 217 B5R0.5 CN(C)C(=S)N Z56347524 [1,1,0,0,0,0|1,1,0]=4 218 B5R0.5 C[C@@H](N)C(=O)O Z802692914 [1,1,0,0,0,0|1,0,0]=3 219 B5R0.5 C[C@H](N)C(=O)N Z359371050 [1,1,0,0,0,0|1,0,0]=3 220 B5R0.5 C[C@H](N)C(=O)O Z756424912 [1,1,0,0,0,0|1,0,0]=3 221 B5R0.5 NC(=O)C(F)F Z33546481 [1,1,0,0,0,0|2,0,0]=4 222 B5R0.5 O=C(O)C(Cl)Cl Z104476414 [1,1,0,0,0,0|2,0,0]=4 223 B5R0.5 O=C(O)C(F)F Z104474070 [1,1,0,0,0,0|2,0,0]=4 224 B5R0.2 C/C=C/CCN Z1268152372 [1,1,0,0,0,0|2,0,0]=4 225 B5R0.2 C/C=C/OCC Z281777810 [1,1,0,0,0,0|1,0,0]=3 226 B5R0.2 C=CCCCN Z993058434 [1,1,0,0,0,0|2,0,0]=4 227 B5R0.2 C=CCNCC Z2044769224 [1,1,0,0,0,0|2,0,0]=4 228 B5R0.2 CCCCC=O Z104472992 [1,1,0,0,0,0|1,0,0]=3 229 B5R0.2 CCNOCC Z223690220 [1,1,0,0,0,0|1,0,1]=4 230 B5R0.2 CCOCC#N Z295205412 [1,1,0,0,0,0|1,0,1]=4 231 B5R0.2 CCOCCN Z271005962 [1,1,0,0,0,0|1,0,1]=4 232 B5R0.2 CCOCCO Z104473122 [1,1,0,0,0,0|0,0,2]=4 233 B7R0.2 CC(=O)CC(C)C#N Z1258995681 [0,2,0,0,0,0|1,0,1]=4 234 B7R0.2 CC(C#N)NC(=O)N Z756364694 [0,2,0,0,0,0|1,0,1]=4 235 B7R0.2 CC(C)NC(=O)CN Z316170536 [0,2,0,0,0,0|1,0,0]=3 236 B7R0.2 CC(C)NC(=O)CO Z431952044 [0,2,0,0,0,0|1,0,0]=3 237 B7R0.2 CC(C)NC(=S)NN Z56851229 [0,2,0,0,0,0|1,1,0]=4 238 B7R0.2 CC(C)OC(=O)CN Z1245635749 [0,2,0,0,0,0|0,0,0]=2 239 B7R0.2 CC(CN)CC(=O)O Z1436472873 [0,2,0,0,0,0|1,0,0]=3 240 B7R0.2 CC/C(=C/C(=O)O)/C Z2583321519 [0,2,0,0,0,0|1,0,1]=4 241 B7R0.2 CCC(C)CC(=O)O Z352782882 [0,2,0,0,0,0|1,0,0]=3 242 B7R0.2 CCC(C)NC(=O)N Z56979270 [0,2,0,0,0,0|1,0,0]=3 243 B7R0.2 CCC(C)NC(=S)N Z56907642 [0,2,0,0,0,0|1,1,0]=4 244 B7R0.2 CCC(N)CC(=O)O Z1708090940 [0,2,0,0,0,0|2,0,0]=4 245 B7R0.2 CCN(C)CC(=O)O Z1459897022 [0,2,0,0,0,0|2,0,0]=4 246 B7R0.2 CNC(=N)CC(C)C Z4121959005 [0,2,0,0,0,0|2,0,0]=4 247 B7R0.2 CNC(=O)CC(C)N Z1457935170 [0,2,0,0,0,0|2,0,0]=4 248 B7R0.2 CNC(C)CC(=O)N Z3070230004 [0,2,0,0,0,0|1,0,0]=3 249 B7R0.2 COC(=O)CC(C)N Z169856728 [0,2,0,0,0,0|2,0,0]=4 250 B7R0.2 COC(C)CC(=O)O Z431536426 [0,2,0,0,0,0|1,0,0]=3 251 B7R0.2 NCC(O)CC(=O)O Z1255390571 [0,2,0,0,0,0|2,0,0]=4 252 B7R0.2 NC[C@@H](O)CC(=O)O Z1203578293 [0,2,0,0,0,0|2,0,0]=4 253 B7R0.2 NC[C@H](O)CC(=O)O Z1198160294 [0,2,0,0,0,0|2,0,0]=4 254 B7R0.5 C/C(=C\CO)/C(C)C Z1896171007 [0,2,0,0,0,0|1,0,1]=4 255 B7R0.5 CC(NC=O)C(=O)O Z56757230 [0,2,0,0,0,0|1,0,1]=4 256 B7R0.5 CCOC(=N)C(C)C Z1623864182 [0,2,0,0,0,0|1,0,1]=4 257 B7R0.7 CCOC(C)OCC Z104476998 [0,2,0,0,0,0|1,0,1]=4 258 B7R0.11 C=CCC(C)(C)CN Z2211231731 [0,2,0,0,0,0|2,0,0]=4 259 B7R0.11 C=CCC(C)(C)CO Z1255384026 [0,2,0,0,0,0|2,0,0]=4 260 B7R0.11 CCOC(C)(C)CO Z1251352968 [0,2,0,0,0,0|1,0,1]=4 261 B7R0.12 O=CNC(CO)CO Z1259117052 [0,2,0,0,0,0|1,0,0]=3 262 B7R0.9 CC(=O)CC(C)(C)C Z1171198845 [0,2,0,0,0,0|1,0,0]=3 263 B7R0.9 CC(C)(Br)CC(=O)O Z1262512457 [0,2,0,0,0,0|1,0,0]=3 264 B7R0.9 CC(C)(C)CC(=O)N Z278515142 [0,2,0,0,0,0|1,0,0]=3 265 B7R0.9 CC(C)(C)CC(=O)O Z104478420 [0,2,0,0,0,0|1,0,0]=3 266 B7R0.9 CC(C)(C)NC(=S)N Z56948375 [0,2,0,0,0,0|1,1,0]=4 267 B7R0.9 CC(C)(C)SC(=N)N Z3243719680 [0,2,0,0,0,0|1,1,0]=4 268 B7R0.9 CC(C)(N)CC(=O)N Z1459435491 [0,2,0,0,0,0|1,0,0]=3 269 B7R0.9 CC(C)(N)CC(=O)O Z1255523279 [0,2,0,0,0,0|1,0,0]=3 270 B7R0.9 CC(C)(O)CC(=N)N Z3804955217 [0,2,0,0,0,0|2,0,0]=4 271 B7R0.9 CC(C)(O)CC(=O)O Z982131798 [0,2,0,0,0,0|1,0,0]=3 272 B7R0.9 CC(C)CS(=O)(=O)N Z734461478 [0,2,0,0,0,0|2,0,0]=4 273 B7R0.9 CC(C)NS(=O)(=O)C Z53825073 [0,2,0,0,0,0|2,0,0]=4 274 B7R0.9 CC(F)(F)CC(=O)O Z1205496030 [0,2,0,0,0,0|2,0,0]=4 275 B7R0.9 C[N+](C)(C)CC(=O)[O-] Z2289798098 [0,2,0,0,0,0|2,0,0]=4 276 B7R0.9 C[N+](C)(N)CC(=O)[O-] Z56832246 [0,2,0,0,0,0|2,0,0]=4 277 B7R0.16 C=C(C)C(=O)C(C)C Z1313486232 [0,2,0,0,0,0|2,0,0]=4 278 B7R0.16 CC(=C(F)C(=O)O)C Z1205494362 [0,2,0,0,0,0|1,0,1]=4 279 B7R0.16 CC(C(=O)N)N(C)C Z4968292210 [0,2,0,0,0,0|2,0,0]=4 280 B7R0.16 CC(C)C(Br)C(=O)O Z203888738 [0,2,0,0,0,0|1,0,0]=3 281 B7R0.16 CC(C)C(C)C(=O)O Z756391682 [0,2,0,0,0,0|1,0,0]=3 282 B7R0.16 CC(C)C(Cl)C(=O)O Z336080700 [0,2,0,0,0,0|1,0,0]=3 283 B7R0.16 CC(C)C(N)C(=O)N Z1266823200 [0,2,0,0,0,0|1,0,0]=3 284 B7R0.16 CC(C)C(N)C(=O)O Z57127382 [0,2,0,0,0,0|1,0,0]=3 285 B7R0.16 CC(C)C(S)C(=O)O Z808230896 [0,2,0,0,0,0|1,0,0]=3 286 B7R0.16 CC(C)N(C)C(=N)N Z2432659176 [0,2,0,0,0,0|2,0,0]=4 287 B7R0.16 CC(C)[C@@H](N)C(=O)N Z1198153018 [0,2,0,0,0,0|1,0,0]=3 288 B7R0.16 CC(C)[C@@H](N)C(=O)O Z813018028 [0,2,0,0,0,0|1,0,0]=3 289 B7R0.16 CC(C)[C@H](N)C(=O)O Z756430564 [0,2,0,0,0,0|1,0,0]=3 290 B7R0.16 CC(N)C(C)C(=O)O Z1198162847 [0,2,0,0,0,0|2,0,0]=4 291 B7R0.16 CC(O)C(C)C(=O)O Z982137146 [0,2,0,0,0,0|2,0,0]=4 292 B7R0.16 C[C@@H](C(=O)O)N(C)C Z1350606494 [0,2,0,0,0,0|2,0,0]=4 293 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O Z1201618669 [0,2,0,0,0,0|2,0,0]=4 294 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Z813019058 [0,2,0,0,0,0|2,0,0]=4 295 B7R0.16 C[C@H](C(=O)O)N(C)C Z1205493968 [0,2,0,0,0,0|2,0,0]=4 296 B7R0.16 C[C@H](O)[C@H](N)C(=O)O Z1162448524 [0,2,0,0,0,0|2,0,0]=4 297 B7R0.14 C=CC(=O)C(C)(C)C Z940201244 [0,2,0,0,0,0|2,0,0]=4 298 B7R0.14 C=CC(O)C(C)(C)C Z1262397707 [0,2,0,0,0,0|2,0,0]=4 299 B7R0.14 CN(N=O)C(C)(C)C Z1725963468 [0,2,0,0,0,0|2,0,0]=4 300 B7R0.15 CCN(N=O)C(C)C Z2375613691 [0,2,0,0,0,0|2,0,0]=4 301 B7R0.4 CC(C)C/C=C/CO Z1813145997 [0,2,0,0,0,0|1,0,1]=4 302 B7R0.4 CC(C)COCCN Z594038266 [0,2,0,0,0,0|1,0,1]=4 303 B7R0.4 CC(C)OCCC#N Z317037874 [0,2,0,0,0,0|1,0,1]=4 304 B7R0.4 CC(C)OCCCN Z2677507870 [0,2,0,0,0,0|1,0,1]=4 305 B7R0.4 CC(C)OCCCO Z1080358780 [0,2,0,0,0,0|0,0,2]=4 306 B7R0.6 CC(=O)NCC(C)O Z353603952 [0,2,0,0,0,0|2,0,0]=4 307 B7R0.6 CC(C)C#CC(=O)O Z1205493820 [0,2,0,0,0,0|1,0,0]=3 308 B7R0.6 CC(C)CCC(=N)N Z2522503133 [0,2,0,0,0,0|2,0,0]=4 309 B7R0.6 CC(C)CCC(=O)O Z56347204 [0,2,0,0,0,0|1,0,0]=3 310 B7R0.6 CC(C)CNC(=O)N Z56895708 [0,2,0,0,0,0|1,0,0]=3 311 B7R0.6 CC(C)NCC(=O)N Z56969693 [0,2,0,0,0,0|1,0,0]=3 312 B7R0.6 CC(C)NCC(=O)O Z359419672 [0,2,0,0,0,0|1,0,0]=3 313 B7R0.6 CC(C)OCC(=N)N Z1511495251 [0,2,0,0,0,0|1,0,0]=3 314 B7R0.6 CC(C)OCC(=O)O Z316259244 [0,2,0,0,0,0|0,0,0]=2 315 B7R0.6 CC(C)SCC(=O)O Z214812600 [0,2,0,0,0,0|0,1,0]=3 316 B7R0.6 CC(N)CCC(=O)O Z1235963367 [0,2,0,0,0,0|2,0,0]=4 317 B7R0.6 CC(O)CCC(=O)O Z838959470 [0,2,0,0,0,0|2,0,0]=4 318 B7R0.6 CN(C)CCC(=O)N Z168912842 [0,2,0,0,0,0|2,0,0]=4 319 B7R0.6 CN(C)CCC(=O)O Z168912830 [0,2,0,0,0,0|2,0,0]=4 320 B7R0.8 C=CCNC(C)(C)C Z2583036183 [0,2,0,0,0,0|2,0,0]=4 321 B7R0.8 CC(C)(C)OCCN Z362798546 [0,2,0,0,0,0|1,0,1]=4 322 B5R1.3 CNC1CC1 Z138412880 [1,0,0,1,0,0|1,0,1]=4 323 B5R1.3 N#CC1CC1 Z247612572 [1,0,0,1,0,0|1,0,1]=4 324 B5R1.3 OCC1CC1 Z104479000 [1,0,0,1,0,0|0,0,2]=4 325 B5R1.4 CC1CC1N Z406520774 [1,0,0,1,0,0|1,0,1]=4 326 B5R1.4 C[C@@H]1C[C@H]1N Z993905302 [1,0,0,1,0,0|1,0,1]=4 327 B7R1.1 BrCC1CCCO1 Z90660999 [0,1,0,1,0,0|1,0,1]=4 328 B7R1.1 ClCC1CCCO1 Z56893271 [0,1,0,1,0,0|1,0,1]=4 329 B7R1.1 NCC1C=CCC1 Z2768196818 [0,1,0,1,0,0|2,0,0]=4 330 B7R1.1 NCC1CC=CC1 Z2310699469 [0,1,0,1,0,0|2,0,0]=4 331 B7R1.1 NCC1COCO1 Z2298138033 [0,1,0,1,0,0|0,0,2]=4 332 B7R1.1 OCC1CC=CC1 Z1201622687 [0,1,0,1,0,0|2,0,0]=4 333 B7R1.2 CC1=CC(=O)NO1 Z56761467 [0,1,0,1,0,0|0,0,2]=4 334 B7R1.2 CC1=NNC(=O)C1 Z50145989 [0,1,0,1,0,0|1,0,1]=4 335 B7R1.2 CC1=NNC(=O)O1 Z1198174319 [0,1,0,1,0,0|1,0,1]=4 336 B7R1.2 CC1CC(=O)CN1 Z1509349081 [0,1,0,1,0,0|1,0,0]=3 337 B7R1.2 CC1CC(=O)NN1 Z217165562 [0,1,0,1,0,0|1,0,0]=3 338 B7R1.2 CC1CC(CO1)N Z2418414350 [0,1,0,1,0,0|1,0,1]=4 339 B7R1.2 CC1CCC(=O)N1 Z1250132456 [0,1,0,1,0,0|1,0,0]=3 340 B7R1.2 CC1CCC(=O)O1 Z963595138 [0,1,0,1,0,0|0,0,0]=2 341 B7R1.2 CC1CN=C(N1)N Z1642389934 [0,1,0,1,0,0|2,0,0]=4 342 B7R1.2 CC1CN=C(O1)N Z1203579428 [0,1,0,1,0,0|1,0,0]=3 343 B7R1.2 CC1CNC(=N)C1 Z4085233400 [0,1,0,1,0,0|2,0,0]=4 344 B7R1.2 CC1CNC(=O)C1 Z959319678 [0,1,0,1,0,0|1,0,0]=3 345 B7R1.2 CC1CNC(=O)N1 Z1203730895 [0,1,0,1,0,0|1,0,0]=3 346 B7R1.2 CC1CNC(=O)O1 Z1198149952 [0,1,0,1,0,0|0,0,0]=2 347 B7R1.2 CN1CCC(=O)C1 Z415646350 [0,1,0,1,0,0|2,0,0]=4 348 B7R1.2 CN1CCC(=O)N1 Z1618125551 [0,1,0,1,0,0|2,0,0]=4 349 B7R1.2 NC1CNC(=O)C1 Z1198329759 [0,1,0,1,0,0|2,0,0]=4 350 B7R1.2 O=C1CC(CN1)O Z1198157723 [0,1,0,1,0,0|2,0,0]=4 351 B7R1.2 O=C1CCC(=O)O1 Z57127506 [0,1,0,1,0,0|1,0,1]=4 352 B7R1.3 CC1CNCCO1 Z204013884 [0,1,0,1,0,0|1,0,1]=4 353 B7R1.4 C[C@H]1OCC[C@H]1N Z2186882122 [0,1,0,1,0,0|1,0,1]=4 354 B7R1.6 O=CCC1CCC1 Z1198184444 [0,1,0,1,0,0|1,0,0]=3 355 B7R1.6 O=CCC1COC1 Z1511884358 [0,1,0,1,0,0|1,0,0]=3 356 B7R1.9 CCC1CC1C=O Z1513989944 [0,1,0,1,0,0|1,0,0]=3 357 B7R1.9 CC[C@@H]1C[C@H]1C=O Z3300760890 [0,1,0,1,0,0|1,0,0]=3 358 B7R1.9 N#CC1CC1C=O Z1511894712 [0,1,0,1,0,0|1,0,1]=4 359 B7R1.10 C=C1CC(C1)CN Z3018667936 [0,1,0,1,0,0|2,0,0]=4 360 B7R1.10 C=C1CC(C1)NC Z3417039111 [0,1,0,1,0,0|2,0,0]=4 361 B7R1.10 C=CC1CC(=O)N1 Z1203730883 [0,1,0,1,0,0|1,0,1]=4 362 B7R1.11 CC1C(C1C=O)Cl Z1262487267 [0,1,0,1,0,0|1,0,0]=3 363 B7R1.11 C[C@H]1C([C@@H]1C)C=O Z3081818776 [0,1,0,1,0,0|1,0,0]=3 364 B7R1.21 CC1(CC1)CC=O Z3247248393 [0,1,0,1,0,0|1,0,0]=3 365 B7R1.22 C=CC(N)C1CC1 Z3444558430 [0,1,0,1,0,0|2,0,0]=4 366 B7R1.22 CC(C=O)C1CC1 Z1263529480 [0,1,0,1,0,0|1,0,0]=3 367 B7R1.22 CN(N=O)C1CC1 Z1934631325 [0,1,0,1,0,0|2,0,0]=4 368 B7R1.27 CC1CC1(C)C=O Z1513984691 [0,1,0,1,0,0|1,0,0]=3 369 B7R1.12 CC(=O)C1CC1C Z1259336498 [0,1,0,1,0,0|1,0,0]=3 370 B7R1.12 CC1CC1C(=O)N Z33546780 [0,1,0,1,0,0|1,0,0]=3 371 B7R1.12 C[C@@H]1C[C@H]1C(=O)O Z1205493848 [0,1,0,1,0,0|1,0,0]=3 372 B7R1.12 C[C@H]1C[C@@H]1C(=O)O Z1205494110 [0,1,0,1,0,0|1,0,0]=3 373 B7R1.16 C=C1CC(C1)(C)N Z5611324020 [0,1,0,1,0,0|2,0,0]=4 374 B7R1.16 CC1(CC(=O)C1)C Z1386602397 [0,1,0,1,0,0|1,0,0]=3 375 B7R1.16 CC1(CC(=O)N1)C Z1238800208 [0,1,0,1,0,0|1,0,0]=3 376 B7R1.20 CC(=O)CC1CC1 Z1198160502 [0,1,0,1,0,0|1,0,0]=3 377 B7R1.20 NC(=NC1CC1)N Z1815149162 [0,1,0,1,0,0|2,0,0]=4 378 B7R1.20 NC(=O)CC1CC1 Z365255854 [0,1,0,1,0,0|1,0,0]=3 379 B7R1.20 NC(=O)NC1CC1 Z57000532 [0,1,0,1,0,0|1,0,0]=3 380 B7R1.20 NC(=S)NC1CC1 Z85934238 [0,1,0,1,0,0|1,1,0]=4 381 B7R1.20 O=C(O)CC1CC1 Z234893653 [0,1,0,1,0,0|1,0,0]=3 382 B7R1.17 CC1(CCC1=O)C Z1416192672 [0,1,0,1,0,0|1,0,0]=3 383 B7R1.17 CC1(CNC1=O)C Z425427928 [0,1,0,1,0,0|1,0,0]=3 384 B7R1.23 CC1(CC1C=O)Br Z1513978436 [0,1,0,1,0,0|1,0,0]=3 385 B7R1.23 CC1(CC1C=O)C Z1511745659 [0,1,0,1,0,0|1,0,0]=3 386 B7R1.23 CC1(C[C@@H]1C=O)C Z1511802856 [0,1,0,1,0,0|1,0,0]=3 387 B7R1.23 CC1(OC1C#N)C Z1198150592 [0,1,0,1,0,0|1,0,1]=4 388 B7R1.23 CC1(OC1C=O)C Z1511743636 [0,1,0,1,0,0|0,0,0]=2 389 B7R1.23 CC1(OC1CCl)C Z1205657657 [0,1,0,1,0,0|1,0,1]=4 390 B7R1.23 CC1(OC1CO)C Z1486035926 [0,1,0,1,0,0|0,0,2]=4 391 B7R1.23 CC1(O[C@@H]1CO)C Z1896550092 [0,1,0,1,0,0|0,0,2]=4 392 B7R1.23 CC1(O[C@H]1CO)C Z1896541488 [0,1,0,1,0,0|0,0,2]=4 393 B7R1.23 O=CC1CC1(Cl)Cl Z1511747117 [0,1,0,1,0,0|2,0,0]=4 394 B7R1.7 C=CCNC1CC1 Z2142036642 [0,1,0,1,0,0|2,0,0]=4 395 B7R1.7 NCCOC1CC1 Z2786559006 [0,1,0,1,0,0|1,0,1]=4 396 B7R1.7 O=C/C=C/C1CC1 Z1318198760 [0,1,0,1,0,0|1,0,0]=3 397 B7R1.7 O=C=NCC1CC1 Z826525040 [0,1,0,1,0,0|1,0,1]=4 398 B7R1.7 O=CCCC1CC1 Z1233208002 [0,1,0,1,0,0|1,0,0]=3 399 B7R1.14 CC1(C=CCN1)C Z3477416732 [0,1,0,1,0,0|2,0,0]=4 400 B7R1.14 CC1(CC=CC1)N Z2470136742 [0,1,0,1,0,0|2,0,0]=4