0 B6R0.4 C#CCCC(=O)O Z295890062 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.4 C#CCNC(=O)C Z220957448 [0,0,0,0,0,0|1,0,2]=3 2 B6R0.4 C#CCNC(=O)N Z198194920 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.4 C#CCOC(=O)N Z1203578973 [0,0,0,0,0,0|1,0,2]=3 4 B6R0.4 C=CCCC(=O)C Z406376894 [0,0,0,0,0,0|1,0,2]=3 5 B6R0.4 C=CCCC(=O)O Z995028722 [0,0,0,0,0,0|2,0,2]=4 6 B6R0.4 C=CCNC(=O)C Z32064466 [0,0,0,0,0,0|1,0,2]=3 7 B6R0.4 C=CCNC(=O)N Z56904662 [0,0,0,0,0,0|2,0,2]=4 8 B6R0.4 CC(=O)CCC#N Z1251352415 [0,0,0,0,0,0|2,0,1]=3 9 B6R0.4 CC(=O)NCCCl Z57983106 [0,0,0,0,0,0|2,0,0]=2 10 B6R0.4 CC(=O)OCCN Z1973465551 [0,0,0,0,0,0|1,0,0]=1 11 B6R0.4 CC(C)CCCN Z992716898 [0,0,0,0,0,0|3,0,1]=4 12 B6R0.4 CC(C)NCCN Z3375885739 [0,0,0,0,0,0|3,0,1]=4 13 B6R0.4 CC(C)NCCO Z137800940 [0,0,0,0,0,0|3,0,1]=4 14 B6R0.4 CC(C)OCC#N Z295206482 [0,0,0,0,0,0|2,0,2]=4 15 B6R0.4 CC(C)OCCN Z1688198421 [0,0,0,0,0,0|2,0,1]=3 16 B6R0.4 CC(C)OCCO Z104478444 [0,0,0,0,0,0|2,0,1]=3 17 B6R0.4 CC(C)SCCN Z2092369402 [0,0,0,0,0,0|2,1,1]=4 18 B6R0.4 CC(N)CCCN Z2230911100 [0,0,0,0,0,0|3,0,1]=4 19 B6R0.4 CC(N)CCCO Z1203578676 [0,0,0,0,0,0|3,0,1]=4 20 B6R0.4 CC(O)CCCN Z1198178891 [0,0,0,0,0,0|2,0,2]=4 21 B6R0.4 CC/C=C/C(=O)O Z2311573931 [0,0,0,0,0,0|2,0,1]=3 22 B6R0.4 CCC#CC(=O)O Z1205493735 [0,0,0,0,0,0|2,0,1]=3 23 B6R0.4 CCCCB(O)O Z1147227739 [0,0,0,0,0,0|3,0,1]=4 24 B6R0.4 CCCCC(=N)N Z1723418909 [0,0,0,0,0,0|3,0,0]=3 25 B6R0.4 CCCCC(=O)N Z104476278 [0,0,0,0,0,0|2,0,0]=2 26 B6R0.4 CCCCC(=O)O Z104473312 [0,0,0,0,0,0|2,0,0]=2 27 B6R0.4 CCCCC(C)N Z3300506318 [0,0,0,0,0,0|2,0,1]=3 28 B6R0.4 CCCNC(=O)C Z33030314 [0,0,0,0,0,0|1,0,0]=1 29 B6R0.4 CCCNC(=S)N Z56930715 [0,0,0,0,0,0|2,1,0]=3 30 B6R0.4 CCCOC(=O)N Z1198148877 [0,0,0,0,0,0|1,0,0]=1 31 B6R0.4 CCNCC(=O)N Z1459435506 [0,0,0,0,0,0|3,0,0]=3 32 B6R0.4 CCNCC(=O)O Z744593094 [0,0,0,0,0,0|3,0,0]=3 33 B6R0.4 CCNCC(C)C Z380844664 [0,0,0,0,0,0|3,0,1]=4 34 B6R0.4 CCNCC(C)O Z138692768 [0,0,0,0,0,0|2,0,2]=4 35 B6R0.4 CCOCC(=O)O Z104495232 [0,0,0,0,0,0|3,0,0]=3 36 B6R0.4 CCOCC(C)N Z839575202 [0,0,0,0,0,0|3,0,1]=4 37 B6R0.4 CCSCC(C)N Z1203641186 [0,0,0,0,0,0|3,0,1]=4 38 B6R0.4 CNCCC(=O)C Z1536943318 [0,0,0,0,0,0|2,0,0]=2 39 B6R0.4 CNCCC(C)C Z607822512 [0,0,0,0,0,0|3,0,1]=4 40 B6R0.4 CNCCC(C)O Z1203731868 [0,0,0,0,0,0|2,0,2]=4 41 B6R0.4 CNCCN(C)C Z138123106 [0,0,0,0,0,0|4,0,0]=4 42 B6R0.4 COCCC(=N)N Z1592042674 [0,0,0,0,0,0|4,0,0]=4 43 B6R0.4 COCCC(=O)C Z362119682 [0,0,0,0,0,0|2,0,0]=2 44 B6R0.4 COCCC(=O)N Z394696458 [0,0,0,0,0,0|3,0,0]=3 45 B6R0.4 COCCC(=O)O Z285184634 [0,0,0,0,0,0|3,0,0]=3 46 B6R0.4 COCCC(C)N Z361881180 [0,0,0,0,0,0|3,0,1]=4 47 B6R0.4 COCCC(C)O Z818738042 [0,0,0,0,0,0|2,0,2]=4 48 B6R0.4 COCCN(C)C Z5121096537 [0,0,0,0,0,0|4,0,0]=4 49 B6R0.4 CS/C=C/C(=O)O Z1868430572 [0,0,0,0,0,0|3,0,1]=4 50 B6R0.4 CSCCC(=N)N Z1266823407 [0,0,0,0,0,0|4,0,0]=4 51 B6R0.4 CSCCC(=O)O Z54719251 [0,0,0,0,0,0|3,0,0]=3 52 B6R0.4 N#CCCC(=O)N Z57160408 [0,0,0,0,0,0|3,0,1]=4 53 B6R0.4 N#CCNC(=O)N Z600498544 [0,0,0,0,0,0|3,0,1]=4 54 B6R0.4 N=C(N)NCCN Z2235813444 [0,0,0,0,0,0|4,0,0]=4 55 B6R0.4 N=C(N)NCCO Z911465228 [0,0,0,0,0,0|4,0,0]=4 56 B6R0.4 N=C(N)SCCO Z57111959 [0,0,0,0,0,0|3,1,0]=4 57 B6R0.4 NC(=O)CCCO Z1203578394 [0,0,0,0,0,0|3,0,0]=3 58 B6R0.4 NC(=O)NCCF Z1203582184 [0,0,0,0,0,0|3,0,0]=3 59 B6R0.4 NC(=O)OCCO Z1198158440 [0,0,0,0,0,0|2,0,0]=2 60 B6R0.4 NCCCC(=O)N Z398513418 [0,0,0,0,0,0|3,0,0]=3 61 B6R0.4 NCCCC(=O)O Z104475620 [0,0,0,0,0,0|3,0,0]=3 62 B6R0.4 NCCCS(=O)O Z1203579399 [0,0,0,0,0,0|4,0,0]=4 63 B6R0.4 NCCNC(=O)N Z1268152381 [0,0,0,0,0,0|3,0,0]=3 64 B6R0.4 NCCOC(=O)N Z1587257433 [0,0,0,0,0,0|2,0,0]=2 65 B6R0.4 O=C(O)/C=C/CO Z3178016098 [0,0,0,0,0,0|3,0,1]=4 66 B6R0.4 O=C(O)C#CCO Z1198169479 [0,0,0,0,0,0|3,0,1]=4 67 B6R0.4 O=C(O)CCCS Z147642510 [0,0,0,0,0,0|3,0,0]=3 68 B5R0.1 C#CCC(=O)O Z295890060 [1,0,0,0,0,0|1,0,2]=4 69 B5R0.1 C/C=C/C(=O)O Z104476026 [1,0,0,0,0,0|1,0,2]=4 70 B5R0.1 C=C(C)CCN Z1203582475 [1,0,0,0,0,0|2,0,0]=3 71 B5R0.1 CC#CC(=O)N Z1203579284 [1,0,0,0,0,0|1,0,2]=4 72 B5R0.1 CC(=CCN)C Z1827897919 [1,0,0,0,0,0|2,0,1]=4 73 B5R0.1 CC(=O)CCO Z906206900 [1,0,0,0,0,0|1,0,0]=2 74 B5R0.1 CC(C)CCO Z104473558 [1,0,0,0,0,0|2,0,1]=4 75 B5R0.1 CC(N)CCO Z385458430 [1,0,0,0,0,0|2,0,1]=4 76 B5R0.1 CC(O)CCN Z802904114 [1,0,0,0,0,0|1,0,2]=4 77 B5R0.1 CC(O)CCO Z104473530 [1,0,0,0,0,0|1,0,2]=4 78 B5R0.1 CCCC(=N)N Z1198394172 [1,0,0,0,0,0|2,0,0]=3 79 B5R0.1 CCCC(=O)N Z33546461 [1,0,0,0,0,0|1,0,0]=2 80 B5R0.1 CCCC(=O)O Z104495380 [1,0,0,0,0,0|1,0,0]=2 81 B5R0.1 CCCC(C)N Z2417819590 [1,0,0,0,0,0|1,0,1]=3 82 B5R0.1 CCNC(=N)N Z2574931373 [1,0,0,0,0,0|3,0,0]=4 83 B5R0.1 CCOC(=N)N Z1741973543 [1,0,0,0,0,0|2,0,0]=3 84 B5R0.1 CCOC(=O)N Z33546369 [1,0,0,0,0,0|1,0,0]=2 85 B5R0.1 CCSC(=N)N Z1708092306 [1,0,0,0,0,0|2,1,0]=4 86 B5R0.1 CN(C)CCF Z5487577684 [1,0,0,0,0,0|3,0,0]=4 87 B5R0.1 CN(C)CCO Z104473552 [1,0,0,0,0,0|3,0,0]=4 88 B5R0.1 CN(C)CCS Z362025514 [1,0,0,0,0,0|3,0,0]=4 89 B5R0.1 CNCC(=O)N Z415678308 [1,0,0,0,0,0|2,0,0]=3 90 B5R0.1 CNCC(=O)O Z104480276 [1,0,0,0,0,0|2,0,0]=3 91 B5R0.1 CNCC(C)C Z951367674 [1,0,0,0,0,0|2,0,1]=4 92 B5R0.1 CNCC(C)N Z1413780485 [1,0,0,0,0,0|2,0,1]=4 93 B5R0.1 CNCC(C)O Z138692700 [1,0,0,0,0,0|1,0,2]=4 94 B5R0.1 COCC(=N)N Z1258620054 [1,0,0,0,0,0|3,0,0]=4 95 B5R0.1 COCC(=O)N Z33546778 [1,0,0,0,0,0|2,0,0]=3 96 B5R0.1 COCC(=O)O Z104477404 [1,0,0,0,0,0|2,0,0]=3 97 B5R0.1 COCC(C)O Z825742124 [1,0,0,0,0,0|1,0,2]=4 98 B5R0.1 COC[C@@H](C)N Z1270482298 [1,0,0,0,0,0|2,0,1]=4 99 B5R0.1 COC[C@H](C)N Z1270502316 [1,0,0,0,0,0|2,0,1]=4 100 B5R0.1 CS(=O)CC#N Z1198176972 [1,0,0,0,0,0|2,0,1]=4 101 B5R0.1 CS(=O)CCN Z802568576 [1,0,0,0,0,0|2,0,0]=3 102 B5R0.1 CSCC(=N)N Z1459934800 [1,0,0,0,0,0|3,0,0]=4 103 B5R0.1 CSCC(=O)N Z33545668 [1,0,0,0,0,0|2,0,0]=3 104 B5R0.1 CSCC(C)O Z732208306 [1,0,0,0,0,0|1,0,2]=4 105 B5R0.1 CSCS(=O)C Z1255438413 [1,0,0,0,0,0|2,0,0]=3 106 B5R0.1 C[C@@H](N)CCO Z1526453858 [1,0,0,0,0,0|2,0,1]=4 107 B5R0.1 C[C@@H](O)CCN Z1860991703 [1,0,0,0,0,0|1,0,2]=4 108 B5R0.1 N#CCC(=O)N Z56896153 [1,0,0,0,0,0|2,0,1]=4 109 B5R0.1 N#CCC(=O)O Z104476112 [1,0,0,0,0,0|2,0,1]=4 110 B5R0.1 N=C(N)CCO Z1198394167 [1,0,0,0,0,0|3,0,0]=4 111 B5R0.1 NC(=O)CCO Z431951940 [1,0,0,0,0,0|2,0,0]=3 112 B5R0.1 NCCC(=O)N Z415728050 [1,0,0,0,0,0|2,0,0]=3 113 B5R0.1 NCCC(=O)O Z57127544 [1,0,0,0,0,0|2,0,0]=3 114 B5R0.1 NOCC(=O)O Z90662171 [1,0,0,0,0,0|3,0,0]=4 115 B5R0.1 O=C(O)CCCl Z203045320 [1,0,0,0,0,0|2,0,0]=3 116 B5R0.1 O=C(O)CCS Z104474322 [1,0,0,0,0,0|2,0,0]=3 117 B5R0.1 O=C(O)CNO Z1205493750 [1,0,0,0,0,0|3,0,0]=4 118 B5R0.2 C/C=C/CCN Z1268152372 [1,0,0,0,0,0|2,0,0]=3 119 B5R0.2 C/C=C/OCC Z281777810 [1,0,0,0,0,0|2,0,0]=3 120 B5R0.2 C=CCCCN Z993058434 [1,0,0,0,0,0|2,0,1]=4 121 B5R0.2 C=CCNCC Z2044769224 [1,0,0,0,0,0|2,0,1]=4 122 B5R0.2 CC#CCCO Z1033337288 [1,0,0,0,0,0|2,0,1]=4 123 B5R0.2 CC#CCNC Z2679312432 [1,0,0,0,0,0|2,0,1]=4 124 B5R0.2 CCCCC=O Z104472992 [1,0,0,0,0,0|1,0,0]=2 125 B5R0.2 CCCCCN Z104472246 [1,0,0,0,0,0|2,0,1]=4 126 B5R0.2 CCCNCC Z138446288 [1,0,0,0,0,0|1,0,1]=3 127 B5R0.2 CCNCCF Z1198305484 [1,0,0,0,0,0|2,0,1]=4 128 B5R0.2 CCNCCO Z1258992395 [1,0,0,0,0,0|2,0,1]=4 129 B5R0.2 CCNOCC Z223690220 [1,0,0,0,0,0|1,0,1]=3 130 B5R0.2 CCOCC#N Z295205412 [1,0,0,0,0,0|1,0,2]=4 131 B5R0.2 CCOCCN Z271005962 [1,0,0,0,0,0|1,0,1]=3 132 B5R0.2 CCOCCO Z104473122 [1,0,0,0,0,0|1,0,1]=3 133 B5R0.2 CCSCCN Z3061111063 [1,0,0,0,0,0|1,1,1]=4 134 B5R0.2 CNCCCO Z104756980 [1,0,0,0,0,0|3,0,0]=4 135 B5R0.2 CNCCOC Z1259162131 [1,0,0,0,0,0|3,0,0]=4 136 B5R0.2 CNCCSC Z1398461959 [1,0,0,0,0,0|3,0,0]=4 137 B5R0.2 COCCCO Z431517702 [1,0,0,0,0,0|3,0,0]=4 138 B5R0.2 COCCOC Z104473014 [1,0,0,0,0,0|3,0,0]=4 139 B7R0.2 CC(=O)CC(C)C#N Z1258995681 [0,1,0,0,0,0|2,0,1]=4 140 B7R0.2 CC(=O)NC(=O)CCl Z56911971 [0,1,0,0,0,0|2,0,1]=4 141 B7R0.2 CC(CN)CC(=O)O Z1436472873 [0,1,0,0,0,0|3,0,0]=4 142 B7R0.2 CC/C(=C/C(=O)O)/C Z2583321519 [0,1,0,0,0,0|2,0,1]=4 143 B7R0.2 CCC(=O)CC(=O)C Z1013699870 [0,1,0,0,0,0|1,0,1]=3 144 B7R0.2 CCC(C)CC(=O)O Z352782882 [0,1,0,0,0,0|2,0,0]=3 145 B7R0.2 CCC(C)CC(C)N Z2472857681 [0,1,0,0,0,0|2,0,1]=4 146 B7R0.2 CCC(C)NC(=O)N Z56979270 [0,1,0,0,0,0|2,0,0]=3 147 B7R0.2 CCC(C)NC(=S)N Z56907642 [0,1,0,0,0,0|2,1,0]=4 148 B7R0.2 CCC(N)CC(=O)O Z1708090940 [0,1,0,0,0,0|2,0,0]=3 149 B7R0.2 CCN(C)CC(=O)O Z1459897022 [0,1,0,0,0,0|3,0,0]=4 150 B7R0.2 CNC(C)CC(=O)N Z3070230004 [0,1,0,0,0,0|3,0,0]=4 151 B7R0.2 COC(C)CC(=O)O Z431536426 [0,1,0,0,0,0|3,0,0]=4 152 B7R0.2 NCC(O)CC(=O)O Z1255390571 [0,1,0,0,0,0|3,0,0]=4 153 B7R0.2 NC[C@@H](O)CC(=O)O Z1203578293 [0,1,0,0,0,0|3,0,0]=4 154 B7R0.2 NC[C@H](O)CC(=O)O Z1198160294 [0,1,0,0,0,0|3,0,0]=4 155 B7R0.3 C#CC(=O)NCCN Z3038435158 [0,1,0,0,0,0|2,0,1]=4 156 B7R0.3 C#CCNC(=O)CC Z220957516 [0,1,0,0,0,0|1,0,2]=4 157 B7R0.3 C#CCNC(=O)CCl Z147651658 [0,1,0,0,0,0|1,0,2]=4 158 B7R0.3 C#CCNC(=O)CN Z1262250790 [0,1,0,0,0,0|1,0,2]=4 159 B7R0.3 C#CCNC(=O)NC Z177091744 [0,1,0,0,0,0|1,0,2]=4 160 B7R0.3 C#CCOC(=O)CN Z3401786508 [0,1,0,0,0,0|0,0,2]=3 161 B7R0.3 C=CC(=O)NOCC Z1251326848 [0,1,0,0,0,0|2,0,1]=4 162 B7R0.3 C=CCNC(=O)CCl Z56899047 [0,1,0,0,0,0|1,0,2]=4 163 B7R0.3 CC/C=C/C(=O)NC Z404206580 [0,1,0,0,0,0|1,0,1]=3 164 B7R0.3 CCC(=O)NCCN Z1455674775 [0,1,0,0,0,0|2,0,0]=3 165 B7R0.3 CCCCC(=O)CC Z406378226 [0,1,0,0,0,0|1,0,0]=2 166 B7R0.3 CCCCC(C)NC Z446022384 [0,1,0,0,0,0|2,0,1]=4 167 B7R0.3 CCCCC(N)CC Z3303777618 [0,1,0,0,0,0|2,0,1]=4 168 B7R0.3 CCCCC(N)CN Z756921038 [0,1,0,0,0,0|2,0,1]=4 169 B7R0.3 CCCCN(C)N=O Z1198149449 [0,1,0,0,0,0|2,0,0]=3 170 B7R0.3 CCCNC(=O)CC Z33030426 [0,1,0,0,0,0|1,0,0]=2 171 B7R0.3 CCCNC(=S)NN Z56985754 [0,1,0,0,0,0|2,1,0]=4 172 B7R0.3 CCNCC(=O)NC Z55849445 [0,1,0,0,0,0|2,0,0]=3 173 B7R0.3 CCNCC(=O)OC Z138464962 [0,1,0,0,0,0|2,0,0]=3 174 B7R0.3 CNC(=N)CCOC Z2739543518 [0,1,0,0,0,0|3,0,0]=4 175 B7R0.3 CNC(=O)CCCN Z451350656 [0,1,0,0,0,0|2,0,0]=3 176 B7R0.3 CNC(=O)NCCO Z177090556 [0,1,0,0,0,0|2,0,0]=3 177 B7R0.3 CNC(=O)OCCO Z1198150357 [0,1,0,0,0,0|1,0,0]=2 178 B7R0.3 CNCCC(=O)NC Z852427258 [0,1,0,0,0,0|2,0,0]=3 179 B7R0.3 CNCCC(=O)OC Z140562916 [0,1,0,0,0,0|2,0,0]=3 180 B7R0.3 COC(=O)CCC#N Z1179894109 [0,1,0,0,0,0|2,0,1]=4 181 B7R0.3 COC(=O)NCCN Z2237317343 [0,1,0,0,0,0|2,0,0]=3 182 B7R0.3 N#CCNC(=O)CCl Z258588590 [0,1,0,0,0,0|2,0,1]=4 183 B7R0.3 NCC(=O)NCCO Z401366912 [0,1,0,0,0,0|2,0,0]=3 184 B7R0.3 NCCCC(=O)NO Z3488307998 [0,1,0,0,0,0|3,0,0]=4 185 B7R0.3 O=C(CO)NCCO Z1203732626 [0,1,0,0,0,0|2,0,0]=3 186 B7R0.4 C#CCCNC(=O)C Z1188389866 [0,1,0,0,0,0|1,0,1]=3 187 B7R0.4 C#CCCNC(=O)N Z1188370499 [0,1,0,0,0,0|2,0,1]=4 188 B7R0.4 C#CCCOC(=O)N Z1509495134 [0,1,0,0,0,0|1,0,1]=3 189 B7R0.4 C#CCOCC(=O)O Z362807246 [0,1,0,0,0,0|1,0,2]=4 190 B7R0.4 C=CCCCC(=O)O Z1205493561 [0,1,0,0,0,0|2,0,1]=4 191 B7R0.4 C=CCOCC(=O)O Z362807794 [0,1,0,0,0,0|1,0,2]=4 192 B7R0.4 CC#CCCC(=O)O Z1205493674 [0,1,0,0,0,0|2,0,1]=4 193 B7R0.4 CC(=O)NCCCN Z295405102 [0,1,0,0,0,0|1,0,0]=2 194 B7R0.4 CC(=O)NCCCO Z353570744 [0,1,0,0,0,0|1,0,0]=2 195 B7R0.4 CC(C)CCCCN Z1250132304 [0,1,0,0,0,0|2,0,1]=4 196 B7R0.4 CC(C)COCCN Z594038266 [0,1,0,0,0,0|2,0,1]=4 197 B7R0.4 CC(C)NCCCO Z56799938 [0,1,0,0,0,0|2,0,1]=4 198 B7R0.4 CC(C)OCCC#N Z317037874 [0,1,0,0,0,0|1,0,2]=4 199 B7R0.4 CC(C)OCCCN Z2677507870 [0,1,0,0,0,0|1,0,1]=3 200 B7R0.4 CC(C)OCCCO Z1080358780 [0,1,0,0,0,0|1,0,1]=3 201 B7R0.4 CC(N)CCCCN Z2186882580 [0,1,0,0,0,0|2,0,1]=4 202 B7R0.4 CC(N)CCCCO Z2234185667 [0,1,0,0,0,0|2,0,1]=4 203 B7R0.4 CCC/C=C/C(=O)O Z104506794 [0,1,0,0,0,0|2,0,0]=3 204 B7R0.4 CCCCCC(=N)N Z3490473907 [0,1,0,0,0,0|3,0,0]=4 205 B7R0.4 CCCCCC(=O)O Z104503532 [0,1,0,0,0,0|2,0,0]=3 206 B7R0.4 CCCCCC(C)N Z104495176 [0,1,0,0,0,0|2,0,1]=4 207 B7R0.4 CCCCNC(=S)N Z56930717 [0,1,0,0,0,0|2,1,0]=4 208 B7R0.4 CCCCOC(=O)N Z104476286 [0,1,0,0,0,0|1,0,0]=2 209 B7R0.4 CCCNCC(=O)N Z2211231296 [0,1,0,0,0,0|2,0,0]=3 210 B7R0.4 CCCNCC(=O)O Z744582718 [0,1,0,0,0,0|2,0,0]=3 211 B7R0.4 CCCNCC(C)C Z90518190 [0,1,0,0,0,0|2,0,1]=4 212 B7R0.4 CCCOCC(=O)O Z406677750 [0,1,0,0,0,0|1,0,0]=2 213 B7R0.4 CCCSCC(=O)C Z447929234 [0,1,0,0,0,0|0,1,0]=2 214 B7R0.4 CCCSCC(=O)O Z228425458 [0,1,0,0,0,0|1,1,0]=3 215 B7R0.4 CCNCCC(=O)N Z2681234913 [0,1,0,0,0,0|2,0,0]=3 216 B7R0.4 CCNCCC(=O)O Z1869802098 [0,1,0,0,0,0|2,0,0]=3 217 B7R0.4 CCOCCC(=O)O Z316258938 [0,1,0,0,0,0|2,0,0]=3 218 B7R0.4 CCSCCC(=O)O Z197206046 [0,1,0,0,0,0|2,0,0]=3 219 B7R0.4 CN(C)CCCCN Z285162754 [0,1,0,0,0,0|3,0,0]=4 220 B7R0.4 CNCCCC(=O)O Z57043473 [0,1,0,0,0,0|2,0,0]=3 221 B7R0.4 CNCCCN(C)C Z138118060 [0,1,0,0,0,0|3,0,0]=4 222 B7R0.4 CNCCNC(=O)C Z1456777974 [0,1,0,0,0,0|1,0,0]=2 223 B7R0.4 COCCCC(=N)N Z1267882086 [0,1,0,0,0,0|3,0,0]=4 224 B7R0.4 COCCCC(=O)C Z406376722 [0,1,0,0,0,0|1,0,0]=2 225 B7R0.4 COCCCC(=O)O Z316258912 [0,1,0,0,0,0|2,0,0]=3 226 B7R0.4 COCCCC(C)O Z854048762 [0,1,0,0,0,0|1,0,2]=4 227 B7R0.4 COCCCN(C)C Z2894648941 [0,1,0,0,0,0|3,0,0]=4 228 B7R0.4 COCCNC(=O)N Z56904572 [0,1,0,0,0,0|2,0,0]=3 229 B7R0.4 COCOCC(=N)N Z1723549321 [0,1,0,0,0,0|3,0,0]=4 230 B7R0.4 CSCCCC(=O)O Z54602911 [0,1,0,0,0,0|2,0,0]=3 231 B7R0.4 N#CCCCC(=O)O Z1198152304 [0,1,0,0,0,0|2,0,1]=4 232 B7R0.4 NC(=O)COCCO Z1198148880 [0,1,0,0,0,0|2,0,0]=3 233 B7R0.4 NC(=O)NCCCO Z198194722 [0,1,0,0,0,0|2,0,0]=3 234 B7R0.4 NCCCCC(=O)N Z1639630947 [0,1,0,0,0,0|2,0,0]=3 235 B7R0.4 NCCCCC(=O)O Z271111992 [0,1,0,0,0,0|2,0,0]=3 236 B7R0.4 NCCCOC(=O)N Z3337481796 [0,1,0,0,0,0|1,0,0]=2 237 B7R0.4 NCCNCC(=O)O Z2692249907 [0,1,0,0,0,0|3,0,0]=4 238 B7R0.4 NCCOCC(=O)N Z1428158847 [0,1,0,0,0,0|2,0,0]=3 239 B7R0.4 NCCOCC(=O)O Z1650039500 [0,1,0,0,0,0|2,0,0]=3 240 B7R0.4 NCCSCC(=O)O Z1381287295 [0,1,0,0,0,0|2,1,0]=4 241 B7R0.4 O=C(O)CCCCBr Z104479696 [0,1,0,0,0,0|2,0,0]=3 242 B7R0.4 O=C(O)CCCCS Z808230828 [0,1,0,0,0,0|2,0,0]=3 243 B7R0.4 O=C(O)CNCCO Z425411352 [0,1,0,0,0,0|3,0,0]=4 244 B7R0.4 O=C([O-])CCCCO Z2335631573 [0,1,0,0,0,0|2,0,0]=3 245 B7R0.4 O=C([O-])COCCO Z1744715804 [0,1,0,0,0,0|2,0,0]=3 246 B7R0.5 C=C(C)C(=O)OCC Z852747724 [0,1,0,0,0,0|3,0,0]=4 247 B7R0.5 CC(CCN)C(=O)O Z2298167292 [0,1,0,0,0,0|3,0,0]=4 248 B7R0.5 CC(CCN)S(=O)C Z1431460424 [0,1,0,0,0,0|3,0,0]=4 249 B7R0.5 CCCC(C)C(=O)O Z104477112 [0,1,0,0,0,0|2,0,0]=3 250 B7R0.5 CCCC(C)C(C)N Z2737299926 [0,1,0,0,0,0|2,0,1]=4 251 B7R0.5 CCCC(N)C(=O)O Z317024724 [0,1,0,0,0,0|2,0,0]=3 252 B7R0.5 CCC[C@@H](N)C(=O)O Z763365012 [0,1,0,0,0,0|2,0,0]=3 253 B7R0.5 CCC[C@H](N)C(=O)O Z1033300662 [0,1,0,0,0,0|2,0,0]=3 254 B7R0.5 CCNC(C)C(=O)O Z3181996310 [0,1,0,0,0,0|3,0,0]=4 255 B7R0.5 CCOC(=O)C(=O)C Z104472090 [0,1,0,0,0,0|2,0,0]=3 256 B7R0.5 CCOC(=O)C(=O)N Z104475764 [0,1,0,0,0,0|3,0,0]=4 257 B7R0.5 CCOC(C)C(=O)O Z316258934 [0,1,0,0,0,0|3,0,0]=4 258 B7R0.5 CNCC(C)C(=O)O Z1270387301 [0,1,0,0,0,0|3,0,0]=4 259 B7R0.5 COCC(C)C(=O)O Z431541094 [0,1,0,0,0,0|3,0,0]=4 260 B7R0.5 COCC(N)C(=O)O Z1613478163 [0,1,0,0,0,0|3,0,0]=4 261 B7R0.5 CSCC(C)C(=O)O Z732206684 [0,1,0,0,0,0|3,0,0]=4 262 B7R0.5 CSCC(N)C(=O)O Z317025996 [0,1,0,0,0,0|3,0,0]=4 263 B7R0.5 NC(CCF)C(=O)O Z2470036329 [0,1,0,0,0,0|3,0,0]=4 264 B7R0.5 NC(CCO)C(=O)O Z234896487 [0,1,0,0,0,0|3,0,0]=4 265 B7R0.5 NCCC(F)C(=O)O Z3235903750 [0,1,0,0,0,0|3,0,0]=4 266 B7R0.5 NCC[C@H](N)C(=O)O Z1741978716 [0,1,0,0,0,0|3,0,0]=4 267 B7R0.5 NCC[C@H](O)C(=O)O Z1203578154 [0,1,0,0,0,0|3,0,0]=4 268 B7R0.5 N[C@@H](CCO)C(=O)O Z1172369006 [0,1,0,0,0,0|3,0,0]=4 269 B7R0.5 N[C@H](CCO)C(=O)O Z608345098 [0,1,0,0,0,0|3,0,0]=4 270 B7R0.6 CC(=O)CCC(=O)O Z104477318 [0,1,0,0,0,0|2,0,1]=4 271 B7R0.6 CC(=O)NCB(O)O Z1198183387 [0,1,0,0,0,0|3,0,0]=4 272 B7R0.6 CC(=O)NCC(=O)O Z85886676 [0,1,0,0,0,0|2,0,1]=4 273 B7R0.6 CC(=O)NCC(C)O Z353603952 [0,1,0,0,0,0|1,0,0]=2 274 B7R0.6 CC(=O)OCC(=S)N Z411884132 [0,1,0,0,0,0|1,0,1]=3 275 B7R0.6 CC(C)C#CC(=O)O Z1205493820 [0,1,0,0,0,0|2,0,1]=4 276 B7R0.6 CC(C)CCC(=N)N Z2522503133 [0,1,0,0,0,0|3,0,0]=4 277 B7R0.6 CC(C)CCC(=O)O Z56347204 [0,1,0,0,0,0|2,0,0]=3 278 B7R0.6 CC(C)CNC(=O)N Z56895708 [0,1,0,0,0,0|2,0,0]=3 279 B7R0.6 CC(C)CNC(C)C Z361996484 [0,1,0,0,0,0|2,0,1]=4 280 B7R0.6 CC(C)NCC(=O)N Z56969693 [0,1,0,0,0,0|3,0,0]=4 281 B7R0.6 CC(C)NCC(=O)O Z359419672 [0,1,0,0,0,0|3,0,0]=4 282 B7R0.6 CC(C)OCC(=O)O Z316259244 [0,1,0,0,0,0|3,0,0]=4 283 B7R0.6 CC(C)SCC(=O)O Z214812600 [0,1,0,0,0,0|3,0,0]=4 284 B7R0.6 CC(N)CCC(=O)O Z1235963367 [0,1,0,0,0,0|2,0,0]=3 285 B7R0.6 CC(N)CCN(C)C Z316119490 [0,1,0,0,0,0|3,0,0]=4 286 B7R0.6 CC(N)CCS(=O)C Z1269750451 [0,1,0,0,0,0|2,0,0]=3 287 B7R0.6 CC(O)CCC(=O)O Z838959470 [0,1,0,0,0,0|2,0,0]=3 288 B7R0.6 CC(O)CNC(C)C Z138692704 [0,1,0,0,0,0|2,0,1]=4 289 B7R0.6 CN(C)CCC(=O)N Z168912842 [0,1,0,0,0,0|3,0,0]=4 290 B7R0.6 CN(C)CCC(=O)O Z168912830 [0,1,0,0,0,0|3,0,0]=4 291 B7R0.6 CS(=O)CCC(=O)O Z667974346 [0,1,0,0,0,0|3,0,0]=4 292 B7R0.8 CC(C)(C)OCCN Z362798546 [0,1,0,0,0,0|2,0,1]=4 293 B7R0.8 CCCCC(C)(C)N Z4437707785 [0,1,0,0,0,0|2,0,1]=4 294 B7R0.8 CCCCS(=O)(=O)N Z55264566 [0,1,0,0,0,0|3,0,0]=4 295 B7R0.8 CCCNC(C)(C)C Z744754558 [0,1,0,0,0,0|2,0,1]=4 296 B7R0.8 CNCCS(=O)(=O)C Z235580952 [0,1,0,0,0,0|3,0,0]=4 297 B7R0.8 CS(=O)(=O)CCCN Z752370998 [0,1,0,0,0,0|3,0,0]=4 298 B7R0.8 CS(=O)(=O)CCCO Z1080376164 [0,1,0,0,0,0|3,0,0]=4 299 B7R0.8 CS(=O)(=O)NCCN Z285224518 [0,1,0,0,0,0|3,0,0]=4 300 B7R0.8 CS(=O)(=O)NCCO Z57801016 [0,1,0,0,0,0|3,0,0]=4 301 B7R1.2 CC1=NNC(=O)C1 Z50145989 [0,0,0,1,0,0|2,0,1]=4 302 B7R1.2 CC1CC(=O)CN1 Z1509349081 [0,0,0,1,0,0|2,0,0]=3 303 B7R1.2 CC1CC(=O)NN1 Z217165562 [0,0,0,1,0,0|2,0,0]=3 304 B7R1.2 CC1CC(CO1)N Z2418414350 [0,0,0,1,0,0|2,0,1]=4 305 B7R1.2 CC1CCC(=O)N1 Z1250132456 [0,0,0,1,0,0|2,0,0]=3 306 B7R1.2 CC1CCC(=O)O1 Z963595138 [0,0,0,1,0,0|2,0,0]=3 307 B7R1.2 CC1CCC(C1)O Z1233224917 [0,0,0,1,0,0|1,0,2]=4 308 B7R1.2 CC1CCC(N1)C Z1413780490 [0,0,0,1,0,0|2,0,1]=4 309 B7R1.2 CC1CN=C(N1)N Z1642389934 [0,0,0,1,0,0|3,0,0]=4 310 B7R1.2 CC1CN=C(O1)N Z1203579428 [0,0,0,1,0,0|2,0,1]=4 311 B7R1.2 CC1CNC(=N)C1 Z4085233400 [0,0,0,1,0,0|2,0,0]=3 312 B7R1.2 CC1CNC(=O)C1 Z959319678 [0,0,0,1,0,0|1,0,0]=2 313 B7R1.2 CC1CNC(=O)N1 Z1203730895 [0,0,0,1,0,0|2,0,0]=3 314 B7R1.2 CC1CNC(=O)O1 Z1198149952 [0,0,0,1,0,0|2,0,0]=3 315 B7R1.2 CC1CNC(C1)C Z1250222491 [0,0,0,1,0,0|2,0,1]=4 316 B7R1.2 CN1CCC(=O)C1 Z415646350 [0,0,0,1,0,0|2,0,0]=3 317 B7R1.2 CN1CCC(=O)N1 Z1618125551 [0,0,0,1,0,0|3,0,0]=4 318 B7R1.2 C[C@H]1CC[C@H](N1)C Z3244812696 [0,0,0,1,0,0|2,0,1]=4 319 B7R1.2 NC1CCS(=O)C1 Z1267860904 [0,0,0,1,0,0|3,0,0]=4 320 B7R1.2 NC1CNC(=O)C1 Z1198329759 [0,0,0,1,0,0|2,0,0]=3 321 B7R1.2 O=C1CC(CN1)O Z1198157723 [0,0,0,1,0,0|2,0,0]=3 322 B7R1.2 O=C1COC(=O)N1 Z56762271 [0,0,0,1,0,0|2,0,1]=4 323 B7R1.3 C=C1CCNCC1 Z1124146875 [0,0,0,1,0,0|3,0,0]=4 324 B7R1.3 CC1=CCCNC1 Z2143573194 [0,0,0,1,0,0|3,0,0]=4 325 B7R1.3 CC1CNCCO1 Z204013884 [0,0,0,1,0,0|2,0,1]=4 326 B7R1.3 FC1=CCCNC1 Z1570657372 [0,0,0,1,0,0|3,0,0]=4 327 B7R1.3 NC1=NCCCC1 Z1723418848 [0,0,0,1,0,0|2,0,0]=3 328 B7R1.3 NC1=NCCCN1 Z1259041088 [0,0,0,1,0,0|3,0,0]=4 329 B7R1.3 NC1=NCCCS1 Z2211231389 [0,0,0,1,0,0|2,1,0]=4 330 B7R1.3 NC1CCCCC1 Z1945707495 [0,0,0,1,0,0|2,0,1]=4 331 B7R1.3 O=C1C=CCCC1 Z295197140 [0,0,0,1,0,0|1,0,1]=3 332 B7R1.3 O=C1C=CCCO1 Z1255402681 [0,0,0,1,0,0|0,0,2]=3 333 B7R1.3 O=C1CCCCC1 Z104474256 [0,0,0,1,0,0|1,0,0]=2 334 B7R1.3 O=C1CCCCN1 Z168817684 [0,0,0,1,0,0|1,0,0]=2 335 B7R1.3 O=C1CCCCO1 Z432085120 [0,0,0,1,0,0|0,0,0]=1 336 B7R1.3 O=C1CCCCS1 Z1726147018 [0,0,0,1,0,0|0,1,0]=2 337 B7R1.3 O=C1CCCNC1 Z3063726909 [0,0,0,1,0,0|2,0,0]=3 338 B7R1.3 O=C1CCCNN1 Z1416174508 [0,0,0,1,0,0|2,0,0]=3 339 B7R1.3 O=C1CCCSC1 Z979714552 [0,0,0,1,0,0|2,0,0]=3 340 B7R1.3 O=C1CCNCC1 Z1741959513 [0,0,0,1,0,0|2,0,0]=3 341 B7R1.3 O=C1CNCCN1 Z56968535 [0,0,0,1,0,0|2,0,0]=3 342 B7R1.3 O=C1CSCCN1 Z337709368 [0,0,0,1,0,0|2,0,0]=3 343 B7R1.3 O=C1CSCSC1 Z1251333166 [0,0,0,1,0,0|3,0,0]=4 344 B7R1.3 O=C1NCCCN1 Z1203730774 [0,0,0,1,0,0|2,0,0]=3 345 B7R1.3 O=C1NCCCO1 Z1198312172 [0,0,0,1,0,0|1,0,0]=2 346 B7R1.3 O=C1NCNCN1 Z1255437058 [0,0,0,1,0,0|3,0,0]=4 347 B7R1.3 O=C1NNCCO1 Z2732442016 [0,0,0,1,0,0|2,0,0]=3 348 B7R1.3 O=S1CCNCC1 Z1263714072 [0,0,0,1,0,0|3,0,0]=4 349 B7R1.3 OC1CCCCC1 Z104473498 [0,0,0,1,0,0|1,0,2]=4 350 B7R1.3 OC1CNCCO1 Z1428160315 [0,0,0,1,0,0|1,0,2]=4 351 B7R1.5 CCC[C@@H]1C[C@H]1N Z2298098035 [0,0,0,1,0,0|2,0,1]=4 352 B7R1.7 CCCCC1CO1 Z1020679810 [0,0,0,1,0,0|1,0,2]=4 353 B7R1.7 NCCOC1CC1 Z2786559006 [0,0,0,1,0,0|2,0,1]=4 354 B7R1.10 C=C1CC(C1)CN Z3018667936 [0,0,0,1,0,0|3,0,0]=4 355 B7R1.10 C=C1CC(C1)NC Z3417039111 [0,0,0,1,0,0|3,0,0]=4 356 B7R1.10 C=CC1CC(=O)N1 Z1203730883 [0,0,0,1,0,0|1,0,2]=4 357 B7R1.10 CCC1CC(C1)N Z4130021870 [0,0,0,1,0,0|2,0,1]=4 358 B7R1.12 CC(=O)C1CC1C Z1259336498 [0,0,0,1,0,0|1,0,0]=2 359 B7R1.12 CC1CC1C(=O)N Z33546780 [0,0,0,1,0,0|2,0,0]=3 360 B7R1.12 C[C@@H]1C[C@H]1C(=O)O Z1205493848 [0,0,0,1,0,0|2,0,0]=3 361 B7R1.12 C[C@H]1C[C@@H]1C(=O)O Z1205494110 [0,0,0,1,0,0|2,0,0]=3 362 B7R1.14 CC1(CCCC1)O Z449370856 [0,0,0,1,0,0|1,0,2]=4 363 B7R1.14 CC1(CCCN1)C Z1259335892 [0,0,0,1,0,0|2,0,1]=4 364 B7R1.14 N=S1(=O)CCCC1 Z1862022759 [0,0,0,1,0,0|3,0,0]=4 365 B7R1.14 O=S1(=O)CCCN1 Z359508120 [0,0,0,1,0,0|3,0,0]=4 366 B7R1.18 CC(O)C1CCC1 Z1198149695 [0,0,0,1,0,0|1,0,2]=4 367 B7R1.18 N=C(N)C1CCC1 Z1532540511 [0,0,0,1,0,0|3,0,0]=4 368 B7R1.18 NC(=O)C1CCC1 Z33546656 [0,0,0,1,0,0|2,0,0]=3 369 B7R1.18 NC(=O)C1CNC1 Z2754447740 [0,0,0,1,0,0|3,0,0]=4 370 B7R1.18 O=C(O)C1CCC1 Z104472264 [0,0,0,1,0,0|2,0,0]=3 371 B7R1.18 O=C(O)C1CCN1 Z168878270 [0,0,0,1,0,0|3,0,0]=4 372 B7R1.18 O=C(O)C1CNC1 Z1171217434 [0,0,0,1,0,0|3,0,0]=4 373 B7R1.18 O=C(O)C1CSC1 Z1205495555 [0,0,0,1,0,0|3,0,0]=4 374 B7R1.20 CC(=O)CC1CC1 Z1198160502 [0,0,0,1,0,0|1,0,0]=2 375 B7R1.20 NC(=NC1CC1)N Z1815149162 [0,0,0,1,0,0|3,0,0]=4 376 B7R1.20 NC(=O)CC1CC1 Z365255854 [0,0,0,1,0,0|2,0,0]=3 377 B7R1.20 NC(=O)NC1CC1 Z57000532 [0,0,0,1,0,0|2,0,0]=3 378 B7R1.20 NC(=S)NC1CC1 Z85934238 [0,0,0,1,0,0|2,1,0]=4 379 B7R1.20 O=C(O)CC1CC1 Z234893653 [0,0,0,1,0,0|2,0,0]=3 380 B7R1.23 CC1(OC1CCl)C Z1205657657 [0,0,0,1,0,0|2,0,1]=4 381 B7R1.23 CC1(OC1CO)C Z1486035926 [0,0,0,1,0,0|2,0,1]=4 382 B7R1.23 CC1(O[C@@H]1CO)C Z1896550092 [0,0,0,1,0,0|2,0,1]=4 383 B7R1.23 CC1(O[C@H]1CO)C Z1896541488 [0,0,0,1,0,0|2,0,1]=4 384 B4R0.1 CC(=O)C=O Z104495190 [2,0,0,0,0,0|1,0,1]=4 385 B4R0.1 CC(=O)CN Z1262398366 [2,0,0,0,0,0|1,0,0]=3 386 B4R0.1 CC(=O)NN Z58981787 [2,0,0,0,0,0|2,0,0]=4 387 B4R0.1 CC(=O)NO Z59181917 [2,0,0,0,0,0|2,0,0]=4 388 B4R0.1 CCC(=N)N Z1741969146 [2,0,0,0,0,0|2,0,0]=4 389 B4R0.1 CCC(=O)N Z33546482 [2,0,0,0,0,0|1,0,0]=3 390 B4R0.1 CCC(=O)O Z104474154 [2,0,0,0,0,0|1,0,0]=3 391 B4R0.1 CCC(=S)N Z241091446 [2,0,0,0,0,0|1,1,0]=4 392 B4R0.1 CCC(C)N Z104472234 [2,0,0,0,0,0|1,0,1]=4 393 B4R0.1 CC[C@@H](C)O Z1203162396 [2,0,0,0,0,0|0,0,2]=4 394 B4R0.1 CNC(=N)C Z2146515751 [2,0,0,0,0,0|2,0,0]=4 395 B4R0.1 CNC(=O)C Z32016274 [2,0,0,0,0,0|1,0,0]=3 396 B4R0.1 CNC(=O)N Z56932989 [2,0,0,0,0,0|2,0,0]=4 397 B4R0.1 COC(=N)N Z1741976783 [2,0,0,0,0,0|2,0,0]=4 398 B4R0.1 COC(=O)N Z104476722 [2,0,0,0,0,0|1,0,0]=3 399 B4R0.1 NC(=O)CF Z104475768 [2,0,0,0,0,0|2,0,0]=4 400 B4R0.1 NC(=O)CI Z1080376832 [2,0,0,0,0,0|2,0,0]=4 401 B4R0.1 NC(=O)CO Z424788508 [2,0,0,0,0,0|2,0,0]=4 402 B4R0.1 NCC(=O)N Z1262254285 [2,0,0,0,0,0|2,0,0]=4 403 B4R0.1 NCC(=O)O Z955123660 [2,0,0,0,0,0|2,0,0]=4 404 B4R0.1 O=C(O)CBr Z104473018 [2,0,0,0,0,0|2,0,0]=4 405 B4R0.1 O=C(O)CO Z104473274 [2,0,0,0,0,0|2,0,0]=4 406 B4R0.2 CCCC#N Z238878246 [2,0,0,0,0,0|1,0,1]=4 407 B4R0.2 CCCCN Z104474314 [2,0,0,0,0,0|1,0,1]=4 408 B4R0.2 CCCCO Z104473488 [2,0,0,0,0,0|0,0,2]=4 409 B4R0.2 CCCNN Z415728048 [2,0,0,0,0,0|2,0,0]=4 410 B4R0.2 COCC#N Z86023357 [2,0,0,0,0,0|1,0,1]=4 411 B4R0.2 COCCO Z104473522 [2,0,0,0,0,0|1,0,0]=3 412 B4R0.2 CSCCO Z149154880 [2,0,0,0,0,0|1,1,0]=4 413 B6R0.1 C#CC(=O)OCC Z104478880 [1,1,0,0,0,0|0,0,1]=3 414 B6R0.1 C#CCC(=O)OC Z1198160347 [1,1,0,0,0,0|0,0,2]=4 415 B6R0.1 CCC(=O)COC Z825742020 [1,1,0,0,0,0|1,0,0]=3 416 B6R0.1 CCCC(=O)CN Z1203579017 [1,1,0,0,0,0|0,0,0]=2 417 B6R0.1 CCCC(=O)NO Z59181937 [1,1,0,0,0,0|1,0,0]=3 418 B6R0.1 CCCC(C)C#N Z415654768 [1,1,0,0,0,0|1,0,1]=4 419 B6R0.1 CCCC(C)NC Z394693580 [1,1,0,0,0,0|1,0,1]=4 420 B6R0.1 CCCC(N)CC Z1642389626 [1,1,0,0,0,0|1,0,1]=4 421 B6R0.1 CCCC(N)CN Z425861040 [1,1,0,0,0,0|1,0,1]=4 422 B6R0.1 CCCC(O)CN Z419084742 [1,1,0,0,0,0|0,0,2]=4 423 B6R0.1 CCCN(C)N=O Z1198147496 [1,1,0,0,0,0|1,0,0]=3 424 B6R0.1 CCNC(=N)NC Z1357224692 [1,1,0,0,0,0|2,0,0]=4 425 B6R0.1 CCNC(=O)CN Z54747476 [1,1,0,0,0,0|1,0,0]=3 426 B6R0.1 CCNC(=O)CO Z431952024 [1,1,0,0,0,0|1,0,0]=3 427 B6R0.1 CCOC(=N)CC Z3033961910 [1,1,0,0,0,0|1,0,0]=3 428 B6R0.1 CCOC(=O)CN Z594038186 [1,1,0,0,0,0|0,0,0]=2 429 B6R0.1 CCOC(=O)CO Z385458066 [1,1,0,0,0,0|0,0,0]=2 430 B6R0.1 CCOC(=O)NN Z104478458 [1,1,0,0,0,0|1,0,0]=3 431 B6R0.1 CCOC(C)CN Z844631802 [1,1,0,0,0,0|1,0,1]=4 432 B6R0.1 CCS(=O)CCN Z1266854910 [1,1,0,0,0,0|2,0,0]=4 433 B6R0.1 CNC(=O)CC#N Z56945997 [1,1,0,0,0,0|1,0,1]=4 434 B6R0.1 CNC(=O)CCCl Z239813512 [1,1,0,0,0,0|1,0,0]=3 435 B6R0.1 CNC(=O)CCN Z425449754 [1,1,0,0,0,0|1,0,0]=3 436 B6R0.1 CNC(=O)CCO Z975909370 [1,1,0,0,0,0|1,0,0]=3 437 B6R0.1 CNCC(=O)NC Z57981096 [1,1,0,0,0,0|1,0,0]=3 438 B6R0.1 CNCC(=O)OC Z89264972 [1,1,0,0,0,0|1,0,0]=3 439 B6R0.1 CONC(=O)CCl Z234816732 [1,1,0,0,0,0|2,0,0]=4 440 B6R0.2 C=C(C)CC(=O)O Z295890066 [1,1,0,0,0,0|1,0,1]=4 441 B6R0.2 CC(=O)/C=C(/C)\N Z56858245 [1,1,0,0,0,0|0,0,2]=4 442 B6R0.2 CC(=O)CC(C)N Z57329385 [1,1,0,0,0,0|0,0,0]=2 443 B6R0.2 CC(C)CC(=N)N Z1346385639 [1,1,0,0,0,0|2,0,0]=4 444 B6R0.2 CC(C)CC(=O)N Z33546511 [1,1,0,0,0,0|1,0,0]=3 445 B6R0.2 CC(C)CC(=O)O Z104474910 [1,1,0,0,0,0|1,0,0]=3 446 B6R0.2 CC(C)NC(=O)N Z56887677 [1,1,0,0,0,0|2,0,0]=4 447 B6R0.2 CC(N)CC(=O)N Z594220690 [1,1,0,0,0,0|1,0,0]=3 448 B6R0.2 CC(N)CC(=O)O Z147647144 [1,1,0,0,0,0|1,0,0]=3 449 B6R0.2 CC(N)CS(=O)C Z1238793449 [1,1,0,0,0,0|1,0,0]=3 450 B6R0.2 CN(C)CC(=O)N Z54750057 [1,1,0,0,0,0|2,0,0]=4 451 B6R0.2 CN(C)CC(=O)O Z235580496 [1,1,0,0,0,0|2,0,0]=4 452 B6R0.2 CS(=O)CC(=O)N Z1203581973 [1,1,0,0,0,0|2,0,0]=4 453 B6R0.2 C[C@H](N)CC(=O)O Z1741969208 [1,1,0,0,0,0|1,0,0]=3 454 B6R0.3 CC(CN)C(=O)O Z431542704 [1,1,0,0,0,0|2,0,0]=4 455 B6R0.3 CC(CO)C(=O)O Z431541400 [1,1,0,0,0,0|2,0,0]=4 456 B6R0.3 CCC(C)C(=N)N Z823287482 [1,1,0,0,0,0|2,0,0]=4 457 B6R0.3 CCC(C)C(=O)N Z270978420 [1,1,0,0,0,0|1,0,0]=3 458 B6R0.3 CCC(C)C(=O)O Z237374874 [1,1,0,0,0,0|1,0,0]=3 459 B6R0.3 CCC(C)C(C)N Z335455612 [1,1,0,0,0,0|1,0,1]=4 460 B6R0.3 CCC(N)C(=O)O Z104495144 [1,1,0,0,0,0|1,0,0]=3 461 B6R0.3 CCC(N)C(C)C Z823287438 [1,1,0,0,0,0|1,0,1]=4 462 B6R0.3 CCC(O)C(=O)N Z965049008 [1,1,0,0,0,0|1,0,0]=3 463 B6R0.3 CCC(O)C(=O)O Z246073650 [1,1,0,0,0,0|1,0,0]=3 464 B6R0.3 CCC(O)C(C)C Z445987082 [1,1,0,0,0,0|1,0,1]=4 465 B6R0.3 CCC(O)C(C)O Z1251352132 [1,1,0,0,0,0|0,0,2]=4 466 B6R0.3 CC[C@@H](N)C(=O)O Z904976986 [1,1,0,0,0,0|1,0,0]=3 467 B6R0.3 CC[C@H](C)C(=O)O Z1205493564 [1,1,0,0,0,0|1,0,0]=3 468 B6R0.3 CC[C@H](N)C(=O)O Z1741965569 [1,1,0,0,0,0|1,0,0]=3 469 B6R0.3 CNC(C)C(=O)O Z1278590830 [1,1,0,0,0,0|2,0,0]=4 470 B6R0.3 CN[C@@H](C)C(=O)N Z2143576643 [1,1,0,0,0,0|2,0,0]=4 471 B6R0.3 COC(C)C(=O)C Z447898138 [1,1,0,0,0,0|1,0,0]=3 472 B6R0.3 COC(C)C(=O)N Z223645218 [1,1,0,0,0,0|2,0,0]=4 473 B6R0.3 COC(C)C(=O)O Z316258898 [1,1,0,0,0,0|2,0,0]=4 474 B6R0.3 CSC(C)C(=O)O Z149191750 [1,1,0,0,0,0|2,0,0]=4 475 B6R0.3 NC(CO)C(=O)O Z57396986 [1,1,0,0,0,0|2,0,0]=4 476 B6R0.3 NC(CS)C(=O)O Z966690626 [1,1,0,0,0,0|2,0,0]=4 477 B6R0.3 NCC(N)C(=O)O Z2465863279 [1,1,0,0,0,0|2,0,0]=4 478 B6R0.3 NCC(O)C(=O)N Z1889902538 [1,1,0,0,0,0|2,0,0]=4 479 B6R0.3 NC[C@@H](F)C(=O)O Z2695741427 [1,1,0,0,0,0|2,0,0]=4 480 B6R0.3 N[C@@H](CO)C(=O)O Z756440058 [1,1,0,0,0,0|2,0,0]=4 481 B6R0.3 N[C@@H](CS)C(=O)O Z760035162 [1,1,0,0,0,0|2,0,0]=4 482 B6R0.3 N[C@H](CO)C(=O)O Z1070067572 [1,1,0,0,0,0|2,0,0]=4 483 B6R0.5 CCCC(C)(C)N Z1262250787 [1,1,0,0,0,0|1,0,1]=4 484 B6R0.5 CCCC(C)(C)O Z449374450 [1,1,0,0,0,0|0,0,2]=4 485 B6R0.5 CCNS(=O)(=O)C Z53825320 [1,1,0,0,0,0|2,0,0]=4 486 B6R0.5 CCOS(=O)(=O)N Z2751120716 [1,1,0,0,0,0|2,0,0]=4 487 B6R0.5 CS(=O)(=O)CCN Z265638750 [1,1,0,0,0,0|2,0,0]=4 488 B6R0.6 C=CCCCCN Z1198160046 [1,1,0,0,0,0|1,0,1]=4 489 B6R0.6 C=CCOCCN Z976678988 [1,1,0,0,0,0|1,0,1]=4 490 B6R0.6 CCCCCCO Z104473568 [1,1,0,0,0,0|1,0,1]=4 491 B6R0.6 CCCOCCN Z4449042604 [1,1,0,0,0,0|0,0,1]=3 492 B6R0.6 CCNCCCF Z1203824341 [1,1,0,0,0,0|1,0,1]=4 493 B6R0.6 CCNCCCO Z138139914 [1,1,0,0,0,0|1,0,1]=4 494 B6R0.6 CCNCCSC Z2412193591 [1,1,0,0,0,0|1,0,1]=4 495 B6R0.6 CCOCCCO Z1080358490 [1,1,0,0,0,0|0,0,1]=3 496 B6R0.6 CNCCCCN Z2939606540 [1,1,0,0,0,0|2,0,0]=4 497 B6R0.6 CNCCCCO Z839096662 [1,1,0,0,0,0|2,0,0]=4 498 B6R0.6 CNCCCOC Z137847932 [1,1,0,0,0,0|2,0,0]=4 499 B6R0.6 CNCCCSC Z102766932 [1,1,0,0,0,0|2,0,0]=4 500 B6R0.6 COCCCCO Z431605254 [1,1,0,0,0,0|2,0,0]=4 501 B6R0.6 COCCN=C=O Z1094719556 [1,1,0,0,0,0|1,0,1]=4 502 B6R0.6 CONCCCN Z2492414217 [1,1,0,0,0,0|2,0,0]=4 503 B6R0.6 O=CCCCC=O Z57127529 [1,1,0,0,0,0|1,0,1]=4 504 B8R0.2 CCC(C)C(=O)C(=O)O Z1205493610 [0,2,0,0,0,0|2,0,0]=4 505 B8R0.2 CCC(C)C(C)C(=O)O Z792363910 [0,2,0,0,0,0|2,0,0]=4 506 B8R0.2 CCC(C)C(N)C(=O)N Z56979347 [0,2,0,0,0,0|2,0,0]=4 507 B8R0.2 CCC(C)C(N)C(=O)O Z104473608 [0,2,0,0,0,0|2,0,0]=4 508 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O Z1203578023 [0,2,0,0,0,0|2,0,0]=4 509 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O Z1203578040 [0,2,0,0,0,0|2,0,0]=4 510 B8R0.2 CC[C@@H](O)[C@@H](C)C(=O)O Z1205494177 [0,2,0,0,0,0|2,0,0]=4 511 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O Z1201618644 [0,2,0,0,0,0|2,0,0]=4 512 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O Z756427442 [0,2,0,0,0,0|2,0,0]=4 513 B8R0.5 CC(CCN)CC(=O)O Z1442184827 [0,2,0,0,0,0|2,0,0]=4 514 B8R0.5 CCC/C(=C/C(=O)O)/C Z352746820 [0,2,0,0,0,0|2,0,0]=4 515 B8R0.5 CCCC(C)CC(=O)O Z352782810 [0,2,0,0,0,0|2,0,0]=4 516 B8R0.5 CCCC(O)CC(=O)O Z982132146 [0,2,0,0,0,0|2,0,0]=4 517 B8R0.5 CCCN(C)CC(=O)O Z1259273358 [0,2,0,0,0,0|2,0,0]=4 518 B8R0.5 CCNC(C)CC(=O)O Z1259161935 [0,2,0,0,0,0|2,0,0]=4 519 B8R0.5 CCOC(=O)CC(=O)C Z104473158 [0,2,0,0,0,0|1,0,1]=4 520 B8R0.5 COCC(C)CC(=O)O Z992443864 [0,2,0,0,0,0|2,0,0]=4 521 B8R0.5 COCC(C)NC(=O)N Z56989549 [0,2,0,0,0,0|2,0,0]=4 522 B8R0.16 CC(=O)NC(CO)CO Z1203731713 [0,2,0,0,0,0|2,0,0]=4 523 B8R0.16 CCC(CC)CC(=O)O Z352782266 [0,2,0,0,0,0|2,0,0]=4 524 B8R0.16 CCC(CN)CC(=O)O Z1436181093 [0,2,0,0,0,0|2,0,0]=4 525 B8R0.19 CCC(C)NC(=O)CCl Z56853748 [0,2,0,0,0,0|1,0,0]=3 526 B8R0.19 COC(=O)CC(C)SC Z732206678 [0,2,0,0,0,0|2,0,0]=4 527 B8R0.23 CC(=O)CC(=O)C(C)C Z1021460926 [0,2,0,0,0,0|1,0,1]=4 528 B8R0.23 CC(C)C(C)CC(=O)O Z234897253 [0,2,0,0,0,0|2,0,0]=4 529 B8R0.23 CC(C)C(N)CC(=O)O Z975823290 [0,2,0,0,0,0|2,0,0]=4 530 B8R0.23 CC(C)CC(=O)C(=O)O Z975823226 [0,2,0,0,0,0|2,0,0]=4 531 B8R0.23 CC(C)CC(C)C(=O)O Z756390494 [0,2,0,0,0,0|2,0,0]=4 532 B8R0.23 CC(C)CC(N)C(=O)O Z57127546 [0,2,0,0,0,0|2,0,0]=4 533 B8R0.23 CC(C)C[C@@H](N)C(=O)O Z850973972 [0,2,0,0,0,0|2,0,0]=4 534 B8R0.23 CC(C)C[C@H](N)C(=O)O Z756437526 [0,2,0,0,0,0|2,0,0]=4 535 B8R0.23 CC(N)CC(C)C(=O)O Z5272192378 [0,2,0,0,0,0|2,0,0]=4 536 B8R0.23 CC(O)C(C)NC(=O)N Z1203589561 [0,2,0,0,0,0|2,0,0]=4 537 B8R0.24 CCC(N)CS(=O)(=O)C Z3015223301 [0,2,0,0,0,0|2,0,0]=4 538 B8R0.34 CC(=O)NC(C)(C)CO Z68299519 [0,2,0,0,0,0|2,0,0]=4 539 B8R0.34 CCC(C)(C)CC(=O)O Z1198160089 [0,2,0,0,0,0|2,0,0]=4 540 B8R0.34 CCC(C)(C)OC(=O)C Z1198150536 [0,2,0,0,0,0|0,0,0]=2 541 B8R0.34 CCS(=O)(=O)CC(=O)C Z1192378722 [0,2,0,0,0,0|2,0,0]=4 542 B8R0.1 C=CCOC(=O)CC#N Z56896765 [0,2,0,0,0,0|0,0,2]=4 543 B8R0.1 CCCNC(=O)CC#N Z169918900 [0,2,0,0,0,0|1,0,0]=3 544 B8R0.1 CCCNC(=O)CNC Z56979317 [0,2,0,0,0,0|1,0,0]=3 545 B8R0.1 CCCOC(=O)OCC Z2375631176 [0,2,0,0,0,0|0,0,0]=2 546 B8R0.1 CCNC(=O)NCCN Z2205958434 [0,2,0,0,0,0|2,0,0]=4 547 B8R0.1 CCNC(=O)NCCO Z425745170 [0,2,0,0,0,0|2,0,0]=4 548 B8R0.1 CCNCC(=O)NCC Z55849446 [0,2,0,0,0,0|2,0,0]=4 549 B8R0.1 CCOC(=O)CCNC Z2240989662 [0,2,0,0,0,0|2,0,0]=4 550 B8R0.1 CCOC(=O)NCCN Z1263820337 [0,2,0,0,0,0|2,0,0]=4 551 B8R0.1 CCOC(=O)NCCO Z31725113 [0,2,0,0,0,0|2,0,0]=4 552 B8R0.1 COCCC(=O)COC Z992968820 [0,2,0,0,0,0|2,0,0]=4 553 B8R0.1 N#CCC(=O)NCCO Z57906863 [0,2,0,0,0,0|2,0,0]=4 554 B8R0.3 CCCC(C)C(=O)CC Z1138187109 [0,2,0,0,0,0|1,0,0]=3 555 B8R0.3 CCCC(N)C(=O)NC Z1449756374 [0,2,0,0,0,0|1,0,0]=3 556 B8R0.3 CCCC(N)C(=O)NO Z1184862965 [0,2,0,0,0,0|2,0,0]=4 557 B8R0.3 CCCC(N)C(=O)OC Z1592042299 [0,2,0,0,0,0|1,0,0]=3 558 B8R0.3 CCNC(C)C(=O)NC Z2753753273 [0,2,0,0,0,0|2,0,0]=4 559 B8R0.3 CNCC(C)C(=O)NC Z1313717081 [0,2,0,0,0,0|2,0,0]=4 560 B8R0.3 COC(=O)C(C)CCN Z3025061158 [0,2,0,0,0,0|2,0,0]=4 561 B8R0.3 COC(=O)N(C)CCO Z371625398 [0,2,0,0,0,0|2,0,0]=4 562 B8R0.6 C=CCOCC(=O)OC Z362807786 [0,2,0,0,0,0|0,0,2]=4 563 B8R0.6 CCCCCC(=O)NO Z59181978 [0,2,0,0,0,0|2,0,0]=4 564 B8R0.6 CCCCNC(=O)CCl Z56853747 [0,2,0,0,0,0|1,0,0]=3 565 B8R0.6 CCCCOC(=O)CN Z1266823221 [0,2,0,0,0,0|0,0,0]=2 566 B8R0.6 CCCCOC(=O)OC Z1238573230 [0,2,0,0,0,0|0,0,0]=2 567 B8R0.6 CCCNCC(=O)NC Z104884728 [0,2,0,0,0,0|1,0,0]=3 568 B8R0.6 CCCNCC(=O)OC Z1836338844 [0,2,0,0,0,0|1,0,0]=3 569 B8R0.6 CNC(=O)CCCCN Z5282835224 [0,2,0,0,0,0|1,0,0]=3 570 B8R0.6 CNC(=O)COCCN Z1457935024 [0,2,0,0,0,0|1,0,0]=3 571 B8R0.6 CNC(=O)NCCCN Z3475808324 [0,2,0,0,0,0|1,0,0]=3 572 B8R0.6 CNC(=O)NCCCO Z177090148 [0,2,0,0,0,0|1,0,0]=3 573 B8R0.6 CNC(=O)OCCCN Z3465972444 [0,2,0,0,0,0|0,0,0]=2 574 B8R0.6 CNCCCC(=O)NC Z1457934887 [0,2,0,0,0,0|1,0,0]=3 575 B8R0.6 CNCCCC(=O)OC Z415636552 [0,2,0,0,0,0|1,0,0]=3 576 B8R0.6 COC(=O)CCCC#N Z415715362 [0,2,0,0,0,0|1,0,1]=4 577 B8R0.6 COC(=O)CCCCN Z854942764 [0,2,0,0,0,0|1,0,0]=3 578 B8R0.6 COC(=O)NCCCN Z3772660622 [0,2,0,0,0,0|1,0,0]=3 579 B8R0.6 COCCNC(=O)CCl Z56887684 [0,2,0,0,0,0|1,0,0]=3 580 B8R0.8 CC(=O)N(C)CCCN Z319974634 [0,2,0,0,0,0|1,0,0]=3 581 B8R0.8 CC(N)C(=O)NCCF Z1992147476 [0,2,0,0,0,0|2,0,0]=4 582 B8R0.8 CC(N)C(=O)NCCN Z1080379186 [0,2,0,0,0,0|2,0,0]=4 583 B8R0.8 CCCCC(C)C(=O)C Z727719632 [0,2,0,0,0,0|1,0,0]=3 584 B8R0.8 CCCCC(C)C(=O)O Z756390480 [0,2,0,0,0,0|1,0,1]=4 585 B8R0.8 CCCCC(N)C(=O)O Z57127434 [0,2,0,0,0,0|2,0,0]=4 586 B8R0.8 CCCCC(O)C(=O)O Z803065156 [0,2,0,0,0,0|2,0,0]=4 587 B8R0.8 CCCC[C@@H](N)C(=O)O Z1203578064 [0,2,0,0,0,0|2,0,0]=4 588 B8R0.8 CCCC[C@H](N)C(=O)O Z1203162297 [0,2,0,0,0,0|2,0,0]=4 589 B8R0.8 CCCNC(=O)C(C)Cl Z147652134 [0,2,0,0,0,0|1,0,0]=3 590 B8R0.8 CCCNC(=O)C(C)N Z89265000 [0,2,0,0,0,0|1,0,0]=3 591 B8R0.8 CCNCC(=O)N(C)C Z104765936 [0,2,0,0,0,0|2,0,0]=4 592 B8R0.8 CCOCC(C)C(=O)O Z431541098 [0,2,0,0,0,0|2,0,0]=4 593 B8R0.8 CCOC[C@@H](N)C(=O)O Z2418414224 [0,2,0,0,0,0|2,0,0]=4 594 B8R0.8 CN(C)C(=O)CCCN Z815264106 [0,2,0,0,0,0|2,0,0]=4 595 B8R0.8 CN(C)C(=O)CCCO Z839108358 [0,2,0,0,0,0|2,0,0]=4 596 B8R0.8 CN(C)C(=O)NCCO Z208334210 [0,2,0,0,0,0|2,0,0]=4 597 B8R0.8 CN(C)C(=O)OCCN Z2517220618 [0,2,0,0,0,0|1,0,0]=3 598 B8R0.8 CNCCN(C)C(=O)C Z1190219530 [0,2,0,0,0,0|1,0,0]=3 599 B8R0.8 COCCC(=O)C(C)C Z818737942 [0,2,0,0,0,0|2,0,0]=4 600 B8R0.8 COCCC(C)C(=O)O Z756390554 [0,2,0,0,0,0|2,0,0]=4 601 B8R0.8 COCCC(N)C(=O)O Z317025018 [0,2,0,0,0,0|2,0,0]=4 602 B8R0.8 CSCCC(=O)N(C)C Z32013664 [0,2,0,0,0,0|2,0,0]=4 603 B8R0.8 CSCCC(N)C(=O)O Z57127440 [0,2,0,0,0,0|2,0,0]=4 604 B8R0.8 CSCCC(O)C(=O)O Z788000926 [0,2,0,0,0,0|2,0,0]=4 605 B8R0.8 CSCC[C@@H](N)C(=O)O Z1147215595 [0,2,0,0,0,0|2,0,0]=4 606 B8R0.8 CSCC[C@H](N)C(=O)O Z756440050 [0,2,0,0,0,0|2,0,0]=4 607 B8R0.8 C[C@H](N)C(=O)NCCO Z1398462031 [0,2,0,0,0,0|2,0,0]=4 608 B8R0.8 NCCCC(N)C(=O)O Z104476736 [0,2,0,0,0,0|2,0,0]=4 609 B8R0.8 NCCC[C@@H](N)C(=O)O Z1276446907 [0,2,0,0,0,0|2,0,0]=4 610 B8R0.8 NCCC[C@H](N)C(=O)O Z991547388 [0,2,0,0,0,0|2,0,0]=4 611 B8R0.8 O=C([O-])C(O)CCCO Z2510259022 [0,2,0,0,0,0|2,0,0]=4 612 B8R0.9 CC(C)CCC(=O)NO Z59183904 [0,2,0,0,0,0|2,0,0]=4 613 B8R0.9 CC(C)CNC(=O)CCl Z56887734 [0,2,0,0,0,0|1,0,0]=3 614 B8R0.9 CC(C)CNC(=O)CN Z1262246246 [0,2,0,0,0,0|1,0,0]=3 615 B8R0.9 CC(C)COC(C)CO Z1896289316 [0,2,0,0,0,0|0,0,2]=4 616 B8R0.9 CC(CN)CCC(=O)O Z1739254655 [0,2,0,0,0,0|2,0,0]=4 617 B8R0.9 CCC(=O)CCC(=O)O Z838955680 [0,2,0,0,0,0|2,0,0]=4 618 B8R0.9 CCC(C)CCC(=O)C Z955111260 [0,2,0,0,0,0|1,0,0]=3 619 B8R0.9 CCC(C)CCC(=O)O Z955111774 [0,2,0,0,0,0|2,0,0]=4 620 B8R0.9 CCC(C)NCC(=O)O Z425484950 [0,2,0,0,0,0|2,0,0]=4 621 B8R0.9 CCC(C)OCC(=O)O Z839103364 [0,2,0,0,0,0|1,0,0]=3 622 B8R0.9 CCN(C)CCC(=O)O Z1259335747 [0,2,0,0,0,0|2,0,0]=4 623 B8R0.9 CNC(=O)CNC(=O)C Z32016377 [0,2,0,0,0,0|1,0,1]=4 624 B8R0.9 COC(C)CCC(=O)O Z963595334 [0,2,0,0,0,0|2,0,0]=4 625 B8R0.9 CSC(C)CCC(=O)O Z963595804 [0,2,0,0,0,0|2,0,0]=4 626 B8R0.9 NCC(N)CCC(=O)O Z1259335825 [0,2,0,0,0,0|2,0,0]=4 627 B8R0.11 CCCCN(CC)N=O Z1198147487 [0,2,0,0,0,0|2,0,0]=4 628 B8R0.25 CCCCS(=O)(=O)NC Z55258068 [0,2,0,0,0,0|2,0,0]=4 629 B8R0.7 C#CCCOCC(=O)O Z1205655947 [0,2,0,0,0,0|1,0,1]=4 630 B8R0.7 C=CCCOCC(=O)O Z362807886 [0,2,0,0,0,0|1,0,1]=4 631 B8R0.7 CC#CCCCC(=O)O Z1205494323 [0,2,0,0,0,0|2,0,0]=4 632 B8R0.7 CC(=O)CCCCC#N Z2350907379 [0,2,0,0,0,0|1,0,0]=3 633 B8R0.7 CC(=O)NCCCCN Z600498842 [0,2,0,0,0,0|1,0,0]=3 634 B8R0.7 CC(C)COCCCO Z1080358758 [0,2,0,0,0,0|1,0,1]=4 635 B8R0.7 CC(C)OCCCC#N Z295206484 [0,2,0,0,0,0|1,0,1]=4 636 B8R0.7 CC(C)OCCCCO Z993012606 [0,2,0,0,0,0|1,0,1]=4 637 B8R0.7 CCCCCCC(=O)O Z104474412 [0,2,0,0,0,0|2,0,0]=4 638 B8R0.7 CCCCNCC(=O)N Z398513412 [0,2,0,0,0,0|2,0,0]=4 639 B8R0.7 CCCCOCC(=O)O Z409190912 [0,2,0,0,0,0|1,0,0]=3 640 B8R0.7 CCCCSCC(=O)O Z239951532 [0,2,0,0,0,0|1,1,0]=4 641 B8R0.7 CCCNCCC(=O)O Z2944330072 [0,2,0,0,0,0|2,0,0]=4 642 B8R0.7 CCNCCCC(=O)O Z2937339976 [0,2,0,0,0,0|2,0,0]=4 643 B8R0.7 CCNCCNC(=O)C Z123868526 [0,2,0,0,0,0|1,0,0]=3 644 B8R0.7 CCOCCCC(=O)O Z316258950 [0,2,0,0,0,0|2,0,0]=4 645 B8R0.7 CCOCCNC(=O)N Z432417116 [0,2,0,0,0,0|2,0,0]=4 646 B8R0.7 CNCCCCC(=O)O Z3034937142 [0,2,0,0,0,0|2,0,0]=4 647 B8R0.7 CNCCCNC(=O)C Z1269638441 [0,2,0,0,0,0|1,0,0]=3 648 B8R0.7 COCCCCC(=O)O Z362633826 [0,2,0,0,0,0|2,0,0]=4 649 B8R0.7 COCCCNC(=O)N Z56979275 [0,2,0,0,0,0|2,0,0]=4 650 B8R0.7 COCCCOC(=O)C Z1123440688 [0,2,0,0,0,0|0,0,0]=2 651 B8R0.7 COCCNCC(=O)N Z1262250392 [0,2,0,0,0,0|2,0,0]=4 652 B8R0.7 COCCNCC(=O)O Z1276446903 [0,2,0,0,0,0|2,0,0]=4 653 B8R0.7 COCCOCC(=O)C Z447894346 [0,2,0,0,0,0|0,0,0]=2 654 B8R0.7 COCCOCC(=O)O Z104477918 [0,2,0,0,0,0|1,0,0]=3 655 B8R0.7 COCCOCC(C)N Z1262237318 [0,2,0,0,0,0|1,0,1]=4 656 B8R0.7 COCCSCC(=O)O Z167837764 [0,2,0,0,0,0|1,1,0]=4 657 B8R0.7 CSCCCCC(=O)O Z732206636 [0,2,0,0,0,0|2,0,0]=4 658 B8R0.7 CSCCNCC(=O)O Z2512524162 [0,2,0,0,0,0|2,0,0]=4 659 B8R0.7 NCCCCCC(=O)O Z1272730910 [0,2,0,0,0,0|2,0,0]=4 660 B8R0.7 NCCCOCC(=O)O Z3178895188 [0,2,0,0,0,0|1,0,0]=3 661 B8R0.7 NCCOCCC(=O)O Z1262546494 [0,2,0,0,0,0|2,0,0]=4 662 B8R0.7 O=C(O)CCCCCBr Z104477716 [0,2,0,0,0,0|2,0,0]=4 663 B8R0.7 O=C(O)CCCCCF Z1205494157 [0,2,0,0,0,0|2,0,0]=4 664 B8R0.7 O=C(O)CCNCCO Z53116574 [0,2,0,0,0,0|2,0,0]=4 665 B8R0.7 O=C([O-])CNCCCO Z5147896273 [0,2,0,0,0,0|2,0,0]=4 666 B8R0.21 CCNCCS(=O)(=O)C Z235582846 [0,2,0,0,0,0|2,0,0]=4 667 B8R0.21 CNCCCS(=O)(=O)C Z728931320 [0,2,0,0,0,0|2,0,0]=4 668 B8R0.21 CNCCNS(=O)(=O)C Z1267881676 [0,2,0,0,0,0|2,0,0]=4 669 B8R0.21 CS(=O)(=O)CCCCN Z2379802695 [0,2,0,0,0,0|2,0,0]=4 670 B8R0.21 CS(=O)(=O)NCCCBr Z381005206 [0,2,0,0,0,0|2,0,0]=4 671 B8R0.21 CS(=O)(=O)NCCCN Z295405382 [0,2,0,0,0,0|2,0,0]=4 672 B8R0.21 CS(=O)(=O)NCCCO Z57801017 [0,2,0,0,0,0|2,0,0]=4 673 B8R0.21 NCCCOP(=O)(O)O Z1198158583 [0,2,0,0,0,0|2,0,0]=4 674 B8R0.28 CC(=O)CCCC(=O)O Z147652222 [0,2,0,0,0,0|1,0,1]=4 675 B8R0.28 CC(=O)NCCC(=O)O Z56886421 [0,2,0,0,0,0|1,0,1]=4 676 B8R0.28 CC(=O)OCCC(=O)O Z216124300 [0,2,0,0,0,0|0,0,1]=3 677 B8R0.28 CC(C)CCCC(=O)O Z426022098 [0,2,0,0,0,0|2,0,0]=4 678 B8R0.28 CC(C)CCNC(=O)N Z56904577 [0,2,0,0,0,0|2,0,0]=4 679 B8R0.28 CC(C)CNCC(=O)N Z234894923 [0,2,0,0,0,0|2,0,0]=4 680 B8R0.28 CC(C)CNCC(=O)O Z1259273209 [0,2,0,0,0,0|2,0,0]=4 681 B8R0.28 CC(C)COCC(C)N Z1262398413 [0,2,0,0,0,0|1,0,1]=4 682 B8R0.28 CC(C)CSCC(=O)O Z96112845 [0,2,0,0,0,0|1,1,0]=4 683 B8R0.28 CC(C)NCCC(=O)O Z235348215 [0,2,0,0,0,0|2,0,0]=4 684 B8R0.28 CC(C)OCCC(=O)O Z316259248 [0,2,0,0,0,0|2,0,0]=4 685 B8R0.28 CC(N)CCCC(=O)O Z1551469174 [0,2,0,0,0,0|2,0,0]=4 686 B8R0.28 CC(N)COCC(=O)O Z3789755599 [0,2,0,0,0,0|1,0,0]=3 687 B8R0.28 CC(O)CCCC(=O)[O-] Z1762997411 [0,2,0,0,0,0|2,0,0]=4 688 B8R0.28 CC(O)CNCC(=O)[O-] Z3690977946 [0,2,0,0,0,0|2,0,0]=4 689 B8R0.12 CCCC(C)(C)C(=O)N Z1198157529 [0,2,0,0,0,0|2,0,0]=4 690 B8R0.12 CCCC(C)(N)C(=O)O Z317024732 [0,2,0,0,0,0|2,0,0]=4 691 B8R0.12 CCCC(C)(O)C(=O)O Z788000960 [0,2,0,0,0,0|2,0,0]=4 692 B8R0.15 CCCC(CC)C(=O)O Z756391368 [0,2,0,0,0,0|2,0,0]=4 693 B8R0.15 CCCC(CN)C(=O)O Z970060188 [0,2,0,0,0,0|2,0,0]=4 694 B8R0.15 CCCC(OC)C(=O)O Z1201627136 [0,2,0,0,0,0|2,0,0]=4 695 B8R0.29 CC(=O)CCC(C)(C)C Z992965824 [0,2,0,0,0,0|1,0,0]=3 696 B8R0.29 CC(=O)CCC(F)(F)F Z1235985192 [0,2,0,0,0,0|2,0,0]=4 697 B8R0.29 CC(=O)CCS(=O)(=O)C Z992965806 [0,2,0,0,0,0|2,0,0]=4 698 B8R0.29 CC(=O)NCC(F)(F)F Z33476090 [0,2,0,0,0,0|2,0,0]=4 699 B8R0.29 CC(C)(C)CCC(=O)O Z819990896 [0,2,0,0,0,0|2,0,0]=4 700 B8R0.29 CC(C)(C)CNC(=O)N Z763367008 [0,2,0,0,0,0|2,0,0]=4 701 B8R0.29 CC(C)(N)CCC(=O)O Z1259041013 [0,2,0,0,0,0|2,0,0]=4 702 B8R0.29 CC(C)(N)CNC(=O)N Z1198235624 [0,2,0,0,0,0|2,0,0]=4 703 B8R0.29 CC(C)(O)CCC(=O)[O-] Z1718361752 [0,2,0,0,0,0|2,0,0]=4 704 B8R0.29 CC(C)OCC(C)(C)N Z2326990904 [0,2,0,0,0,0|1,0,1]=4 705 B8R0.29 CC(F)(F)CCC(=O)O Z316121454 [0,2,0,0,0,0|2,0,0]=4 706 B8R0.29 CC(N)CCS(=O)(=O)C Z992990700 [0,2,0,0,0,0|2,0,0]=4 707 B8R0.29 CC(O)CNS(=O)(=O)C Z425750942 [0,2,0,0,0,0|2,0,0]=4 708 B8R0.29 NC(=O)OCC(Cl)(Cl)Cl Z1255439046 [0,2,0,0,0,0|2,0,0]=4 709 B8R0.29 NC(=O)OCC(F)(F)F Z185587028 [0,2,0,0,0,0|2,0,0]=4 710 B6R1.2 C=C1CCNC1 Z3019986853 [1,0,0,1,0,0|2,0,0]=4 711 B6R1.2 CC1=CCNC1 Z1203734447 [1,0,0,1,0,0|2,0,0]=4 712 B6R1.2 CC1=NCCN1 Z204020260 [1,0,0,1,0,0|2,0,0]=4 713 B6R1.2 CC1=NCCS1 Z104480256 [1,0,0,1,0,0|1,1,0]=4 714 B6R1.2 CC1CCCN1 Z1274177652 [1,0,0,1,0,0|1,0,1]=4 715 B6R1.2 N=C1CCCN1 Z204007506 [1,0,0,1,0,0|2,0,0]=4 716 B6R1.2 NC1=NCCO1 Z336087916 [1,0,0,1,0,0|2,0,0]=4 717 B6R1.2 O=C1C=CCO1 Z1219048777 [1,0,0,1,0,0|0,0,2]=4 718 B6R1.2 O=C1CCCN1 Z104472846 [1,0,0,1,0,0|1,0,0]=3 719 B6R1.2 O=C1CCNC1 Z1741976513 [1,0,0,1,0,0|1,0,0]=3 720 B6R1.2 O=C1CCNN1 Z2935001239 [1,0,0,1,0,0|2,0,0]=4 721 B6R1.2 O=C1CCSC1 Z104495638 [1,0,0,1,0,0|1,0,0]=3 722 B6R1.2 O=C1NCCN1 Z104494954 [1,0,0,1,0,0|2,0,0]=4 723 B6R1.2 O=C1NCCO1 Z104474784 [1,0,0,1,0,0|1,0,0]=3 724 B6R1.2 O=C1NCCS1 Z55928860 [1,0,0,1,0,0|1,1,0]=4 725 B6R1.2 O=C1OCCO1 Z1172235744 [1,0,0,1,0,0|1,0,0]=3 726 B6R1.2 O=S1CCCC1 Z278052312 [1,0,0,1,0,0|1,0,0]=3 727 B6R1.5 CC1CC(C1)N Z1357823942 [1,0,0,1,0,0|1,0,1]=4 728 B6R1.5 CC1CC(N1)C Z2143576622 [1,0,0,1,0,0|1,0,1]=4 729 B6R1.8 C=C1CC1CN Z3454021936 [1,0,0,1,0,0|2,0,0]=4 730 B6R1.9 CC1OC1(C)C Z1255419606 [1,0,0,1,0,0|1,0,1]=4 731 B6R1.10 CC1(CCC1)N Z1741969618 [1,0,0,1,0,0|1,0,1]=4 732 B6R1.10 CC1(CCC1)O Z1241455013 [1,0,0,1,0,0|0,0,2]=4 733 B6R1.11 CC(N)C1CC1 Z89283349 [1,0,0,1,0,0|1,0,1]=4 734 B6R1.11 N=C(N)C1CC1 Z935140732 [1,0,0,1,0,0|2,0,0]=4 735 B6R1.11 O=S([O-])C1CC1 Z1741965693 [1,0,0,1,0,0|2,0,0]=4 736 B6R1.1 C1=CCCCC1 Z104474726 [1,0,0,1,0,0|1,0,0]=3 737 B6R1.1 C1=CCNCC1 Z1623864216 [1,0,0,1,0,0|2,0,0]=4 738 B6R1.1 C1=NCCCN1 Z1198163087 [1,0,0,1,0,0|2,0,0]=4 739 B6R1.1 C1CCONC1 Z1787355355 [1,0,0,1,0,0|1,0,0]=3 740 B6R1.1 C1COCCN1 Z57127568 [1,0,0,1,0,0|1,0,1]=4 741 B6R1.6 CCC1CNC1 Z1203733931 [1,0,0,1,0,0|2,0,0]=4 742 B6R1.6 CNC1CCC1 Z1263820270 [1,0,0,1,0,0|2,0,0]=4 743 B6R1.6 O=CC1CCC1 Z1079442452 [1,0,0,1,0,0|1,0,0]=3 744 B8R1.1 CC1=NOC(C1)CN Z2235810232 [0,1,0,1,0,0|2,0,0]=4 745 B8R1.1 CC1CC(=NO1)C=O Z2732442537 [0,1,0,1,0,0|2,0,0]=4 746 B8R1.1 CC1CCC(C1)C=O Z1268606446 [0,1,0,1,0,0|1,0,1]=4 747 B8R1.1 CCC1CCC(=O)N1 Z1203731077 [0,1,0,1,0,0|1,0,0]=3 748 B8R1.1 CCC1CNC(=O)C1 Z1198235318 [0,1,0,1,0,0|1,0,0]=3 749 B8R1.1 CCC1COC(=N1)N Z3231924235 [0,1,0,1,0,0|2,0,0]=4 750 B8R1.1 COC1CNC(=O)C1 Z1203749511 [0,1,0,1,0,0|1,0,0]=3 751 B8R1.1 NCC1CC(=NO1)Cl Z4371346417 [0,1,0,1,0,0|2,0,0]=4 752 B8R1.1 NCC1CCC(=O)N1 Z1171481666 [0,1,0,1,0,0|2,0,0]=4 753 B8R1.1 NCC1CCC(=O)O1 Z1262632907 [0,1,0,1,0,0|1,0,0]=3 754 B8R1.1 NCC1CNC(=O)O1 Z2028214442 [0,1,0,1,0,0|1,0,0]=3 755 B8R1.1 NCC1COC(=O)C1 Z1262663655 [0,1,0,1,0,0|0,0,0]=2 756 B8R1.1 NCC1COC(=O)N1 Z2130644119 [0,1,0,1,0,0|1,0,0]=3 757 B8R1.1 NCC1COC(=O)O1 Z3474887077 [0,1,0,1,0,0|1,0,0]=3 758 B8R1.1 NC[C@H]1COC(=O)O1 Z3951135907 [0,1,0,1,0,0|1,0,0]=3 759 B8R1.1 O=C1C=C(CO1)CO Z1486015893 [0,1,0,1,0,0|0,0,2]=4 760 B8R1.1 O=C1CC(CN1)CO Z1201625841 [0,1,0,1,0,0|1,0,0]=3 761 B8R1.1 O=C1CCC(N1)CO Z235344363 [0,1,0,1,0,0|2,0,0]=4 762 B8R1.1 O=C1CC[C@H](N1)CO Z235344345 [0,1,0,1,0,0|2,0,0]=4 763 B8R1.1 O=C1NCC(O1)CCl Z56346848 [0,1,0,1,0,0|1,0,0]=3 764 B8R1.1 O=C1N[C@H](CO1)CO Z1203731623 [0,1,0,1,0,0|1,0,0]=3 765 B8R1.4 CC1=CC(=O)CCC1 Z1042078386 [0,1,0,1,0,0|1,0,1]=4 766 B8R1.4 CC1=CC(CCC1)N Z3895215954 [0,1,0,1,0,0|2,0,0]=4 767 B8R1.4 CC1=CC(CCC1)O Z1255423437 [0,1,0,1,0,0|2,0,0]=4 768 B8R1.4 CC1=CC(CNC1)C Z1966484556 [0,1,0,1,0,0|2,0,0]=4 769 B8R1.4 CC1CC(=O)CCN1 Z2900188073 [0,1,0,1,0,0|1,0,0]=3 770 B8R1.4 CC1CC(=O)CCO1 Z1192341264 [0,1,0,1,0,0|1,0,0]=3 771 B8R1.4 CC1CC=CC(=O)O1 Z1509022444 [0,1,0,1,0,0|0,0,2]=4 772 B8R1.4 CC1CCCC(=O)C1 Z56899044 [0,1,0,1,0,0|1,0,0]=3 773 B8R1.4 CC1CCCC(=O)N1 Z1198150789 [0,1,0,1,0,0|1,0,0]=3 774 B8R1.4 CC1CCNC(=O)C1 Z1203731366 [0,1,0,1,0,0|1,0,0]=3 775 B8R1.4 CC1CNCC(=O)N1 Z1198172719 [0,1,0,1,0,0|2,0,0]=4 776 B8R1.4 CC1COCC(N1)C Z1255523283 [0,1,0,1,0,0|1,0,1]=4 777 B8R1.4 CC1CS(=O)CCN1 Z1227754708 [0,1,0,1,0,0|2,0,0]=4 778 B8R1.4 CN1CC(CCO1)O Z5948414894 [0,1,0,1,0,0|2,0,0]=4 779 B8R1.4 CN1CCCC(=O)C1 Z3034966673 [0,1,0,1,0,0|1,0,0]=3 780 B8R1.4 C[C@@H]1C[C@H](CCO1)N Z4121905902 [0,1,0,1,0,0|1,0,1]=4 781 B8R1.4 NC1=CC(=O)CCC1 Z56899207 [0,1,0,1,0,0|1,0,1]=4 782 B8R1.4 O=C1CC(CCN1)O Z1198221829 [0,1,0,1,0,0|1,0,0]=3 783 B8R1.4 O=C1CCCC(=O)N1 Z424792856 [0,1,0,1,0,0|1,0,1]=4 784 B8R1.4 O=C1COCC(=O)O1 Z85923414 [0,1,0,1,0,0|1,0,1]=4 785 B8R1.18 CC1CC(=O)NC1=O Z729209272 [0,1,0,1,0,0|1,0,1]=4 786 B8R1.18 CC1CC(=O)NC1C Z1203733092 [0,1,0,1,0,0|1,0,0]=3 787 B8R1.18 CC1CC(C(=O)N1)C Z1203733105 [0,1,0,1,0,0|2,0,0]=4 788 B8R1.18 CC1CC(C(=O)O1)N Z118507726 [0,1,0,1,0,0|2,0,0]=4 789 B8R1.18 CN1CC(CC1=O)O Z1201051099 [0,1,0,1,0,0|2,0,0]=4 790 B8R1.18 NC1CC(=O)N(C1)O Z3806274909 [0,1,0,1,0,0|2,0,0]=4 791 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O Z2471604870 [0,1,0,1,0,0|2,0,0]=4 792 B8R1.31 O=C(O)C1CCC1F Z2035936452 [0,1,0,1,0,0|2,0,0]=4 793 B8R1.34 CC(=O)CC1CCC1 Z1263592386 [0,1,0,1,0,0|1,0,0]=3 794 B8R1.34 CC(=O)NC1CNC1 Z1198175578 [0,1,0,1,0,0|1,0,0]=3 795 B8R1.34 NC(=O)CC1CNC1 Z1459435453 [0,1,0,1,0,0|2,0,0]=4 796 B8R1.34 NC(=O)NC1CCC1 Z979783478 [0,1,0,1,0,0|2,0,0]=4 797 B8R1.34 O=C(O)C=C1CCC1 Z1205494261 [0,1,0,1,0,0|2,0,0]=4 798 B8R1.34 O=C(O)CC1CCC1 Z1115947835 [0,1,0,1,0,0|2,0,0]=4 799 B8R1.34 O=C(O)CN1CCC1 Z1255373566 [0,1,0,1,0,0|2,0,0]=4 800 B8R1.40 C=CC(=O)NC1CC1 Z276666586 [0,1,0,1,0,0|1,0,1]=4 801 B8R1.40 CNC(=N)NC1CC1 Z1200960752 [0,1,0,1,0,0|2,0,0]=4 802 B8R1.40 COC(=O)CC1CC1 Z380123290 [0,1,0,1,0,0|1,0,0]=3 803 B8R1.40 COC(=O)CC1CO1 Z2689606459 [0,1,0,1,0,0|2,0,0]=4 804 B8R1.40 NCC(=O)NC1CC1 Z94599161 [0,1,0,1,0,0|1,0,0]=3 805 B8R1.40 O=C(CCl)CC1CC1 Z1386913809 [0,1,0,1,0,0|1,0,0]=3 806 B8R1.40 O=C(CCl)NC1CC1 Z56867231 [0,1,0,1,0,0|1,0,0]=3 807 B8R1.40 O=C(CO)NC1CC1 Z431952008 [0,1,0,1,0,0|1,0,0]=3 808 B8R1.43 CC(=O)C1CC1C#N Z1514030424 [0,1,0,1,0,0|1,0,1]=4 809 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O Z2235790965 [0,1,0,1,0,0|2,0,0]=4 810 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O Z3718352401 [0,1,0,1,0,0|2,0,0]=4 811 B8R1.43 O=C([O-])[C@@H]1C[C@H]1CO Z3717749370 [0,1,0,1,0,0|2,0,0]=4 812 B8R1.51 CC1(CC(CO1)N)C Z2938030584 [0,1,0,1,0,0|1,0,1]=4 813 B8R1.51 CC1(CCC(=O)N1)C Z1198150849 [0,1,0,1,0,0|2,0,0]=4 814 B8R1.51 CC1(CCC(=O)O1)C Z854234982 [0,1,0,1,0,0|2,0,0]=4 815 B8R1.51 CC1(CNC(=O)O1)C Z1203730984 [0,1,0,1,0,0|2,0,0]=4 816 B8R1.51 CC1(COC(=N1)N)C Z1198155525 [0,1,0,1,0,0|2,0,0]=4 817 B8R1.51 CC1CNS(=O)(=O)C1 Z1575095016 [0,1,0,1,0,0|2,0,0]=4 818 B8R1.62 CC1(CC(=O)N1)CCl Z1205659152 [0,1,0,1,0,0|2,0,0]=4 819 B8R1.62 CC1(CC(=O)N1)CN Z2697159297 [0,1,0,1,0,0|2,0,0]=4 820 B8R1.67 C[C@@H]1C([C@@H]1C)C(=O)O Z3243444186 [0,1,0,1,0,0|2,0,0]=4 821 B8R1.83 CC1CC1C(=O)CCl Z1386913500 [0,1,0,1,0,0|1,0,0]=3 822 B8R1.83 CC1CC1C(=O)NN Z58981971 [0,1,0,1,0,0|2,0,0]=4 823 B8R1.83 CCC(=O)C1CC1C Z1259336402 [0,1,0,1,0,0|1,0,0]=3 824 B8R1.2 BrCC1CCCCO1 Z104484248 [0,1,0,1,0,0|1,0,1]=4 825 B8R1.2 CNC1=NCCCC1 Z1744713171 [0,1,0,1,0,0|2,0,0]=4 826 B8R1.2 COC1=NCCCC1 Z729471270 [0,1,0,1,0,0|1,0,1]=4 827 B8R1.2 CSC1=NCCCN1 Z104341704 [0,1,0,1,0,0|2,0,0]=4 828 B8R1.2 NCC1=CCCCC1 Z2230911155 [0,1,0,1,0,0|2,0,0]=4 829 B8R1.2 NCC1=COCCO1 Z425641798 [0,1,0,1,0,0|2,0,0]=4 830 B8R1.2 NCC1=NCCCN1 Z994488026 [0,1,0,1,0,0|2,0,0]=4 831 B8R1.2 NCC1CCCCO1 Z839575544 [0,1,0,1,0,0|1,0,1]=4 832 B8R1.2 NOC1CCCCO1 Z968560364 [0,1,0,1,0,0|0,0,2]=4 833 B8R1.2 O=CC1=CCCCC1 Z1190318865 [0,1,0,1,0,0|1,0,0]=3 834 B8R1.2 O=CC1=CCCOC1 Z979787886 [0,1,0,1,0,0|2,0,0]=4 835 B8R1.2 O=CC1=CCCSC1 Z1255380334 [0,1,0,1,0,0|2,0,0]=4 836 B8R1.2 O=CC1=CCOCC1 Z1511760351 [0,1,0,1,0,0|2,0,0]=4 837 B8R1.2 O=CC1=COCCC1 Z432415080 [0,1,0,1,0,0|2,0,0]=4 838 B8R1.2 O=CC1=COCCO1 Z1198154290 [0,1,0,1,0,0|1,0,1]=4 839 B8R1.2 O=CC1CCCCC1 Z104478974 [0,1,0,1,0,0|1,0,1]=4 840 B8R1.2 O=CC1CCCCO1 Z1079442734 [0,1,0,1,0,0|0,0,1]=3 841 B8R1.2 O=CN1CCCCC1 Z1255415437 [0,1,0,1,0,0|2,0,0]=4 842 B8R1.2 O=NN1CCCCC1 Z1198147906 [0,1,0,1,0,0|2,0,0]=4 843 B8R1.2 OCC1=COCCO1 Z1101443027 [0,1,0,1,0,0|2,0,0]=4 844 B8R1.2 OCC1CCCCO1 Z104479808 [0,1,0,1,0,0|0,0,2]=4 845 B8R1.2 ON=C1CCCCC1 Z49568468 [0,1,0,1,0,0|1,0,1]=4 846 B8R1.3 CC1=CCC(CC1)N Z3857655203 [0,1,0,1,0,0|2,0,0]=4 847 B8R1.3 CC1CCC(=O)CC1 Z57073963 [0,1,0,1,0,0|1,0,0]=3 848 B8R1.3 CC1CCC(=O)NC1 Z969194082 [0,1,0,1,0,0|1,0,0]=3 849 B8R1.3 CC1CCC(CO1)O Z1898581838 [0,1,0,1,0,0|1,0,1]=4 850 B8R1.3 CC1CN=C(NC1)N Z1203586632 [0,1,0,1,0,0|2,0,0]=4 851 B8R1.3 CC1COC(CN1)C Z327218388 [0,1,0,1,0,0|1,0,1]=4 852 B8R1.3 NC1CCC(=O)CC1 Z1198169628 [0,1,0,1,0,0|1,0,0]=3 853 B8R1.3 NC1CCC(=O)NC1 Z992717028 [0,1,0,1,0,0|1,0,0]=3 854 B8R1.3 NC1CNC(=O)NC1 Z4926262838 [0,1,0,1,0,0|2,0,0]=4 855 B8R1.3 O=C1CCC(=O)CC1 Z877626718 [0,1,0,1,0,0|1,0,1]=4 856 B8R1.3 O=C1CCC(=O)NC1 Z1198221828 [0,1,0,1,0,0|1,0,1]=4 857 B8R1.3 O=C1CCS(=O)CC1 Z826531086 [0,1,0,1,0,0|2,0,0]=4 858 B8R1.3 O=C1COC(=O)CO1 Z1201618919 [0,1,0,1,0,0|1,0,1]=4 859 B8R1.3 O=C1NCC(CN1)O Z1198163621 [0,1,0,1,0,0|2,0,0]=4 860 B8R1.5 CC1CCCCC1=O Z104477192 [0,1,0,1,0,0|1,0,0]=3 861 B8R1.5 CC1CCCNC1=O Z1013766916 [0,1,0,1,0,0|1,0,0]=3 862 B8R1.5 CC1CNCCC1=O Z1741969235 [0,1,0,1,0,0|2,0,0]=4 863 B8R1.5 CC1COCCC1=O Z1192338803 [0,1,0,1,0,0|2,0,0]=4 864 B8R1.5 CC1NCCNC1=O Z336079670 [0,1,0,1,0,0|2,0,0]=4 865 B8R1.5 CC1SCCCC1=O Z1359849054 [0,1,0,1,0,0|0,1,1]=4 866 B8R1.5 CC1SCCNC1=O Z1098219156 [0,1,0,1,0,0|2,0,0]=4 867 B8R1.5 CN1CCCN=C1N Z2865417319 [0,1,0,1,0,0|2,0,0]=4 868 B8R1.5 CN1CCNCC1=O Z1250100764 [0,1,0,1,0,0|2,0,0]=4 869 B8R1.5 CN1CNCNC1=O Z5130722475 [0,1,0,1,0,0|2,0,0]=4 870 B8R1.5 NC1CCCCC1=O Z2186882796 [0,1,0,1,0,0|1,0,0]=3 871 B8R1.5 NC1CCCNC1=O Z993991168 [0,1,0,1,0,0|1,0,0]=3 872 B8R1.5 NN1CCCCC1=O Z976663668 [0,1,0,1,0,0|1,0,0]=3 873 B8R1.5 O=C1CCCCC1=O Z90122041 [0,1,0,1,0,0|1,0,0]=3 874 B8R1.5 O=C1CCCCC1Cl Z94598693 [0,1,0,1,0,0|1,0,0]=3 875 B8R1.5 O=C1NCCCC1F Z1203749514 [0,1,0,1,0,0|1,0,0]=3 876 B8R1.13 O=C1CCN1CCO Z1897885187 [0,1,0,1,0,0|2,0,0]=4 877 B8R1.22 CC1CCNCCO1 Z2855997854 [0,1,0,1,0,0|1,0,1]=4 878 B8R1.22 CC1CNCCCO1 Z425722880 [0,1,0,1,0,0|1,0,1]=4 879 B8R1.22 CC1COCCCN1 Z1216819161 [0,1,0,1,0,0|1,0,1]=4 880 B8R1.22 O=C1CCCCCC1 Z104473100 [0,1,0,1,0,0|1,0,0]=3 881 B8R1.22 O=C1CCNCCN1 Z119989554 [0,1,0,1,0,0|1,0,0]=3 882 B8R1.22 O=C1CCOCCN1 Z821098578 [0,1,0,1,0,0|1,0,0]=3 883 B8R1.22 O=C1CCSCCN1 Z1198315286 [0,1,0,1,0,0|1,0,0]=3 884 B8R1.22 O=C1CNCCCN1 Z2756332573 [0,1,0,1,0,0|1,0,0]=3 885 B8R1.22 O=C1COCCCN1 Z1203733065 [0,1,0,1,0,0|1,0,0]=3 886 B8R1.38 C=CC(=O)N1CCC1 Z440634168 [0,1,0,1,0,0|1,0,1]=4 887 B8R1.38 CC(C=O)C1CCC1 Z1511780485 [0,1,0,1,0,0|1,0,1]=4 888 B8R1.38 CCC(=O)C1CCC1 Z1251352405 [0,1,0,1,0,0|1,0,0]=3 889 B8R1.38 CNC(=O)C1CNC1 Z1651744906 [0,1,0,1,0,0|2,0,0]=4 890 B8R1.38 COC(=O)C1CCC1 Z18374544 [0,1,0,1,0,0|1,0,0]=3 891 B8R1.38 NCC(=O)C1CCC1 Z2568737813 [0,1,0,1,0,0|1,0,0]=3 892 B8R1.38 O=C(CCl)C1CCC1 Z1238572148 [0,1,0,1,0,0|1,0,0]=3 893 B8R1.38 O=C(CCl)N1CCC1 Z57039583 [0,1,0,1,0,0|1,0,0]=3 894 B8R1.47 CCC1CC(C1)C=O Z3243131887 [0,1,0,1,0,0|1,0,1]=4 895 B8R1.50 CC1=C(C(=O)OC1)O Z1255374651 [0,1,0,1,0,0|0,0,2]=4 896 B8R1.50 CC1CNC(=O)C1C Z1203745887 [0,1,0,1,0,0|1,0,0]=3 897 B8R1.50 CC1CNC(=O)N1C Z1203733581 [0,1,0,1,0,0|1,0,0]=3 898 B8R1.50 CC1COC(=O)C1N Z3951586277 [0,1,0,1,0,0|0,0,0]=2 899 B8R1.50 CN1C(=O)COC1=O Z1618025816 [0,1,0,1,0,0|1,0,1]=4 900 B8R1.50 CN1OCC(C1=O)N Z4252149149 [0,1,0,1,0,0|2,0,0]=4 901 B8R1.50 N[C@H]1C(=O)NC[C@@H]1O Z5183356392 [0,1,0,1,0,0|2,0,0]=4 902 B8R1.52 CC1(CCCC1)C=O Z1255466724 [0,1,0,1,0,0|1,0,1]=4 903 B8R1.52 CC1(CCCO1)C#N Z384972070 [0,1,0,1,0,0|1,0,1]=4 904 B8R1.52 CC1(CCCO1)C=O Z1389061333 [0,1,0,1,0,0|0,0,1]=3 905 B8R1.52 CC1(CCCO1)CN Z1198218662 [0,1,0,1,0,0|1,0,1]=4 906 B8R1.52 CC1(CCCO1)CO Z1389059207 [0,1,0,1,0,0|0,0,2]=4 907 B8R1.52 CC1(CCCS1)C=O Z1455206494 [0,1,0,1,0,0|0,1,1]=4 908 B8R1.6 C=CCC1CC(=O)N1 Z1203730933 [0,1,0,1,0,0|1,0,1]=4 909 B8R1.6 CCCC1CC(=O)N1 Z1198168176 [0,1,0,1,0,0|1,0,0]=3 910 B8R1.6 NCCC1CC(=O)C1 Z2681245722 [0,1,0,1,0,0|1,0,0]=3 911 B8R1.7 CC(=O)C1CCCC1 Z513735352 [0,1,0,1,0,0|1,0,0]=3 912 B8R1.7 CC(=O)C1CCNC1 Z3011567326 [0,1,0,1,0,0|1,0,0]=3 913 B8R1.7 CC(=O)C1CCOC1 Z1138843358 [0,1,0,1,0,0|1,0,0]=3 914 B8R1.7 CC(N)C1CCCO1 Z318730550 [0,1,0,1,0,0|1,0,1]=4 915 B8R1.7 N=C(N)C1CCCO1 Z1582263149 [0,1,0,1,0,0|2,0,0]=4 916 B8R1.7 NC(=O)C1CCCC1 Z33546657 [0,1,0,1,0,0|2,0,0]=4 917 B8R1.7 NC(=O)C1CCCN1 Z56945990 [0,1,0,1,0,0|2,0,0]=4 918 B8R1.7 NC(=O)C1CCCO1 Z33545380 [0,1,0,1,0,0|1,0,0]=3 919 B8R1.7 NC(=O)C1CCNC1 Z1198394223 [0,1,0,1,0,0|2,0,0]=4 920 B8R1.7 NC(=O)C1CCOC1 Z802555342 [0,1,0,1,0,0|2,0,0]=4 921 B8R1.7 NC(=O)N1CCCC1 Z56907605 [0,1,0,1,0,0|2,0,0]=4 922 B8R1.7 O=C(O)C1=CCCC1 Z1205493596 [0,1,0,1,0,0|2,0,0]=4 923 B8R1.7 O=C(O)C1CCCC1 Z104476116 [0,1,0,1,0,0|2,0,0]=4 924 B8R1.7 O=C(O)C1CCCN1 Z104476886 [0,1,0,1,0,0|2,0,0]=4 925 B8R1.7 O=C(O)C1CCCO1 Z104486102 [0,1,0,1,0,0|1,0,0]=3 926 B8R1.7 O=C(O)C1CCCS1 Z1198330300 [0,1,0,1,0,0|1,1,0]=4 927 B8R1.7 O=C(O)C1CCNC1 Z1741969245 [0,1,0,1,0,0|2,0,0]=4 928 B8R1.7 O=C(O)C1CCNO1 Z3182027847 [0,1,0,1,0,0|2,0,0]=4 929 B8R1.7 O=C(O)C1CCOC1 Z381356480 [0,1,0,1,0,0|2,0,0]=4 930 B8R1.7 O=C(O)C1CCSC1 Z1187898499 [0,1,0,1,0,0|2,0,0]=4 931 B8R1.7 O=C(O)C1OCCO1 Z1198167310 [0,1,0,1,0,0|2,0,0]=4 932 B8R1.7 O=C(O)[C@@H]1CCCN1 Z756429958 [0,1,0,1,0,0|2,0,0]=4 933 B8R1.7 O=C(O)[C@H]1CCCN1 Z933632584 [0,1,0,1,0,0|2,0,0]=4 934 B8R1.27 COCC1OC1(C)C Z4188724290 [0,1,0,1,0,0|1,0,1]=4 935 B8R1.35 CC(=O)CCC1CC1 Z1233207768 [0,1,0,1,0,0|1,0,0]=3 936 B8R1.35 CC(C)OCC1CO1 Z147642824 [0,1,0,1,0,0|1,0,1]=4 937 B8R1.35 CC(C)OC[C@@H]1CO1 Z1993604786 [0,1,0,1,0,0|1,0,1]=4 938 B8R1.35 CC(C)OC[C@H]1CO1 Z1993604787 [0,1,0,1,0,0|1,0,1]=4 939 B8R1.35 NC(=O)CNC1CC1 Z104875198 [0,1,0,1,0,0|2,0,0]=4 940 B8R1.35 NC(=O)NCC1CC1 Z247615948 [0,1,0,1,0,0|2,0,0]=4 941 B8R1.35 O=C(O)C#CC1CC1 Z1198161308 [0,1,0,1,0,0|2,0,0]=4 942 B8R1.35 O=C(O)CNC1CC1 Z432066928 [0,1,0,1,0,0|2,0,0]=4 943 B8R1.36 NCCCOC1CC1 Z5593566245 [0,1,0,1,0,0|1,0,1]=4 944 B8R1.72 CC1(CCCOC1)N Z1582263087 [0,1,0,1,0,0|1,0,1]=4 945 B8R1.72 CC1(CNCCO1)C Z374049350 [0,1,0,1,0,0|1,0,1]=4 946 B8R1.72 N=S1(=O)CCCCC1 Z2941529962 [0,1,0,1,0,0|2,0,0]=4 947 B8R1.72 O=S1(=O)CCCCN1 Z1201622708 [0,1,0,1,0,0|2,0,0]=4 948 B8R1.23 CC(=O)N1CC(C1)N Z1154674340 [0,1,0,1,0,0|1,0,0]=3 949 B8R1.23 CC(C)C1CC(=O)N1 Z1198168175 [0,1,0,1,0,0|1,0,0]=3 950 B8R1.23 CC1CC(C1)C(=O)O Z1198158393 [0,1,0,1,0,0|2,0,0]=4 951 B8R1.23 NC(=O)N1CC(C1)N Z3297611731 [0,1,0,1,0,0|2,0,0]=4 952 B8R1.23 NC(=O)N1CC(C1)O Z1090111906 [0,1,0,1,0,0|2,0,0]=4 953 B8R1.23 N[C@H]1C[C@H](C1)C(=O)O Z360056576 [0,1,0,1,0,0|2,0,0]=4 954 B8R1.23 O=C([O-])[C@H]1C[C@@H](C1)O Z4399321929 [0,1,0,1,0,0|2,0,0]=4 955 B8R1.30 C[C@@H]1C[C@]1(N)C(=O)O Z4134701167 [0,1,0,1,0,0|2,0,0]=4 956 B8R1.54 CC(C(=O)O)C1CC1 Z792377292 [0,1,0,1,0,0|2,0,0]=4 957 B8R1.54 NC(=O)C(N)C1CC1 Z3183923231 [0,1,0,1,0,0|2,0,0]=4 958 B8R1.54 NC(=O)C(O)C1CC1 Z965049350 [0,1,0,1,0,0|2,0,0]=4 959 B8R1.54 NC(C(=O)O)C1CC1 Z1273089257 [0,1,0,1,0,0|2,0,0]=4 960 B8R1.54 O=C(O)C(O)C1CC1 Z802856440 [0,1,0,1,0,0|2,0,0]=4 961 B8R1.78 CC1(CCC1)C(=O)O Z1205493900 [0,1,0,1,0,0|2,0,0]=4 962 B8R1.78 NC(=O)C1(CCC1)N Z1483991927 [0,1,0,1,0,0|2,0,0]=4 963 B8R1.78 NC1(CCC1)C(=O)O Z1431905448 [0,1,0,1,0,0|2,0,0]=4 964 B8R1.78 O=C(O)C1(CCC1)Br Z220564362 [0,1,0,1,0,0|2,0,0]=4 965 B8R1.78 O=C(O)C1(CCC1)O Z220564366 [0,1,0,1,0,0|2,0,0]=4 966 B8R1.77 CC1(CC1C(=O)O)C Z979743336 [0,1,0,1,0,0|2,0,0]=4 967 B8R2.38 O=C1NC[C@H]2[C@@H]1C2 Z2871939424 [0,0,0,2,0,0|1,0,0]=3 968 B8R2.2 C[C@]12CCC[C@H]1O2 Z4597543898 [0,0,0,2,0,0|1,0,1]=4 969 B8R2.5 O=C1N[C@H]2[C@@H]1CC2 Z3977166567 [0,0,0,2,0,0|1,0,0]=3