0 B6R0.4 C#CCCC(=O)O Z295890062 [0,0,0,0,0,0|1,0,1]=2 1 B6R0.4 C#CCCC(C)O Z854048672 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.4 C#CCNC(=O)C Z220957448 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.4 C#CCNC(=O)N Z198194920 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.4 C#CCOC(=O)N Z1203578973 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.4 C=CCCC(=O)C Z406376894 [0,0,0,0,0,0|2,0,1]=3 6 B6R0.4 C=CCCC(=O)O Z995028722 [0,0,0,0,0,0|1,0,1]=2 7 B6R0.4 C=CCNC(=O)C Z32064466 [0,0,0,0,0,0|3,0,1]=4 8 B6R0.4 C=CCNC(=O)N Z56904662 [0,0,0,0,0,0|3,0,1]=4 9 B6R0.4 CC(=O)CCC#N Z1251352415 [0,0,0,0,0,0|3,0,0]=3 10 B6R0.4 CC(=O)NCCCl Z57983106 [0,0,0,0,0,0|4,0,0]=4 11 B6R0.4 CC(=O)OCCN Z1973465551 [0,0,0,0,0,0|4,0,0]=4 12 B6R0.4 CC(O)CCCN Z1198178891 [0,0,0,0,0,0|3,0,1]=4 13 B6R0.4 CC/C=C/C(=O)O Z2311573931 [0,0,0,0,0,0|1,0,2]=3 14 B6R0.4 CCC#CC(=O)O Z1205493735 [0,0,0,0,0,0|1,0,2]=3 15 B6R0.4 CCCCB(O)O Z1147227739 [0,0,0,0,0,0|2,0,1]=3 16 B6R0.4 CCCCC(=N)N Z1723418909 [0,0,0,0,0,0|3,0,0]=3 17 B6R0.4 CCCCC(=O)N Z104476278 [0,0,0,0,0,0|2,0,0]=2 18 B6R0.4 CCCCC(=O)O Z104473312 [0,0,0,0,0,0|1,0,0]=1 19 B6R0.4 CCCCC(C)N Z3300506318 [0,0,0,0,0,0|3,0,1]=4 20 B6R0.4 CCCNC(=O)C Z33030314 [0,0,0,0,0,0|3,0,0]=3 21 B6R0.4 CCCNC(=S)N Z56930715 [0,0,0,0,0,0|3,1,0]=4 22 B6R0.4 CCCOC(=O)N Z1198148877 [0,0,0,0,0,0|3,0,0]=3 23 B6R0.4 CCNCC(=O)N Z1459435506 [0,0,0,0,0,0|3,0,0]=3 24 B6R0.4 CCNCC(=O)O Z744593094 [0,0,0,0,0,0|2,0,0]=2 25 B6R0.4 CCNCC(C)O Z138692768 [0,0,0,0,0,0|3,0,1]=4 26 B6R0.4 CCOCC(=O)O Z104495232 [0,0,0,0,0,0|2,0,0]=2 27 B6R0.4 CNCCC(=O)C Z1536943318 [0,0,0,0,0,0|2,0,0]=2 28 B6R0.4 CNCCC(C)C Z607822512 [0,0,0,0,0,0|3,0,1]=4 29 B6R0.4 CNCCC(C)O Z1203731868 [0,0,0,0,0,0|2,0,1]=3 30 B6R0.4 CNCCN(C)C Z138123106 [0,0,0,0,0,0|4,0,0]=4 31 B6R0.4 COCCC(=N)N Z1592042674 [0,0,0,0,0,0|2,1,0]=3 32 B6R0.4 COCCC(=O)C Z362119682 [0,0,0,0,0,0|1,1,0]=2 33 B6R0.4 COCCC(=O)N Z394696458 [0,0,0,0,0,0|1,1,0]=2 34 B6R0.4 COCCC(=O)O Z285184634 [0,0,0,0,0,0|0,1,0]=1 35 B6R0.4 COCCC(C)N Z361881180 [0,0,0,0,0,0|2,1,1]=4 36 B6R0.4 COCCC(C)O Z818738042 [0,0,0,0,0,0|1,1,1]=3 37 B6R0.4 COCCN(C)C Z5121096537 [0,0,0,0,0,0|3,1,0]=4 38 B6R0.4 CS/C=C/C(=O)O Z1868430572 [0,0,0,0,0,0|0,0,2]=2 39 B6R0.4 CSCCC(=N)N Z1266823407 [0,0,0,0,0,0|2,0,0]=2 40 B6R0.4 CSCCC(=O)O Z54719251 [0,0,0,0,0,0|0,0,0]=0 41 B6R0.4 N#CCCC(=N)N Z3771050569 [0,0,0,0,0,0|4,0,0]=4 42 B6R0.4 N#CCCC(=O)N Z57160408 [0,0,0,0,0,0|3,0,0]=3 43 B6R0.4 N#CCNC(=O)N Z600498544 [0,0,0,0,0,0|4,0,0]=4 44 B6R0.4 NC(=O)CCCO Z1203578394 [0,0,0,0,0,0|3,0,0]=3 45 B6R0.4 NC(=O)NCCF Z1203582184 [0,0,0,0,0,0|4,0,0]=4 46 B6R0.4 NC(=O)OCCO Z1198158440 [0,0,0,0,0,0|4,0,0]=4 47 B6R0.4 NCCCC(=O)N Z398513418 [0,0,0,0,0,0|3,0,0]=3 48 B6R0.4 NCCCC(=O)O Z104475620 [0,0,0,0,0,0|2,0,0]=2 49 B6R0.4 NCCCS(=O)O Z1203579399 [0,0,0,0,0,0|3,0,0]=3 50 B6R0.4 NCCNC(=O)N Z1268152381 [0,0,0,0,0,0|4,0,0]=4 51 B6R0.4 NCCOC(=O)N Z1587257433 [0,0,0,0,0,0|4,0,0]=4 52 B6R0.4 O=C(O)/C=C/CO Z3178016098 [0,0,0,0,0,0|2,0,2]=4 53 B6R0.4 O=C(O)C#CCO Z1198169479 [0,0,0,0,0,0|2,0,2]=4 54 B6R0.4 O=C(O)CCCS Z147642510 [0,0,0,0,0,0|2,0,0]=2 55 B5R0.1 C#CCC(=O)O Z295890060 [1,0,0,0,0,0|0,0,2]=3 56 B5R0.1 C/C=C/C(=O)O Z104476026 [1,0,0,0,0,0|0,0,2]=3 57 B5R0.1 C=C(C)CCN Z1203582475 [1,0,0,0,0,0|3,0,0]=4 58 B5R0.1 CC#CC(=O)N Z1203579284 [1,0,0,0,0,0|1,0,2]=4 59 B5R0.1 CC(=O)CCO Z906206900 [1,0,0,0,0,0|1,1,0]=3 60 B5R0.1 CC(O)CCN Z802904114 [1,0,0,0,0,0|2,0,1]=4 61 B5R0.1 CC(O)CCO Z104473530 [1,0,0,0,0,0|1,1,1]=4 62 B5R0.1 CCCC(=N)N Z1198394172 [1,0,0,0,0,0|2,0,0]=3 63 B5R0.1 CCCC(=O)N Z33546461 [1,0,0,0,0,0|1,0,0]=2 64 B5R0.1 CCCC(=O)O Z104495380 [1,0,0,0,0,0|0,0,0]=1 65 B5R0.1 CCCC(C)N Z2417819590 [1,0,0,0,0,0|2,0,1]=4 66 B5R0.1 CCNC(=N)N Z2574931373 [1,0,0,0,0,0|3,0,0]=4 67 B5R0.1 CCOC(=N)N Z1741973543 [1,0,0,0,0,0|3,0,0]=4 68 B5R0.1 CCOC(=O)N Z33546369 [1,0,0,0,0,0|2,0,0]=3 69 B5R0.1 CCSC(=N)N Z1708092306 [1,0,0,0,0,0|3,0,0]=4 70 B5R0.1 CN(C)CCS Z362025514 [1,0,0,0,0,0|3,0,0]=4 71 B5R0.1 CNCC(=O)N Z415678308 [1,0,0,0,0,0|2,0,0]=3 72 B5R0.1 CNCC(=O)O Z104480276 [1,0,0,0,0,0|1,0,0]=2 73 B5R0.1 CNCC(C)O Z138692700 [1,0,0,0,0,0|2,0,1]=4 74 B5R0.1 COCC(=N)N Z1258620054 [1,0,0,0,0,0|2,1,0]=4 75 B5R0.1 COCC(=O)N Z33546778 [1,0,0,0,0,0|1,1,0]=3 76 B5R0.1 COCC(=O)O Z104477404 [1,0,0,0,0,0|0,1,0]=2 77 B5R0.1 COCC(C)O Z825742124 [1,0,0,0,0,0|1,1,1]=4 78 B5R0.1 CS(=O)CCN Z802568576 [1,0,0,0,0,0|3,0,0]=4 79 B5R0.1 CSCC(=N)N Z1459934800 [1,0,0,0,0,0|2,0,0]=3 80 B5R0.1 CSCC(=O)N Z33545668 [1,0,0,0,0,0|1,0,0]=2 81 B5R0.1 CSCC(C)O Z732208306 [1,0,0,0,0,0|1,0,1]=3 82 B5R0.1 CSCS(=O)C Z1255438413 [1,0,0,0,0,0|2,0,0]=3 83 B5R0.1 C[C@@H](O)CCN Z1860991703 [1,0,0,0,0,0|2,0,1]=4 84 B5R0.1 N#CCC(=O)N Z56896153 [1,0,0,0,0,0|2,0,1]=4 85 B5R0.1 N#CCC(=O)O Z104476112 [1,0,0,0,0,0|1,0,1]=3 86 B5R0.1 N=C(N)CCO Z1198394167 [1,0,0,0,0,0|2,1,0]=4 87 B5R0.1 NC(=O)CCO Z431951940 [1,0,0,0,0,0|1,1,0]=3 88 B5R0.1 NCCC(=O)N Z415728050 [1,0,0,0,0,0|2,0,0]=3 89 B5R0.1 NCCC(=O)O Z57127544 [1,0,0,0,0,0|1,0,0]=2 90 B5R0.1 NOCC(=O)O Z90662171 [1,0,0,0,0,0|1,1,0]=3 91 B5R0.1 O=C(O)/C=C/I Z2327124440 [1,0,0,0,0,0|1,0,2]=4 92 B5R0.1 O=C(O)CCCl Z203045320 [1,0,0,0,0,0|1,0,0]=2 93 B5R0.1 O=C(O)CCS Z104474322 [1,0,0,0,0,0|0,0,0]=1 94 B5R0.1 O=C(O)CNO Z1205493750 [1,0,0,0,0,0|1,1,0]=3 95 B5R0.2 C#CCCNC Z3270794267 [1,0,0,0,0,0|2,0,1]=4 96 B5R0.2 C=CCCC#N Z1219746591 [1,0,0,0,0,0|3,0,0]=4 97 B5R0.2 C=CCCCN Z993058434 [1,0,0,0,0,0|3,0,0]=4 98 B5R0.2 C=CCNCC Z2044769224 [1,0,0,0,0,0|3,0,0]=4 99 B5R0.2 CC#CCCO Z1033337288 [1,0,0,0,0,0|1,0,2]=4 100 B5R0.2 CCCCC=O Z104472992 [1,0,0,0,0,0|1,0,0]=2 101 B5R0.2 CCCCCN Z104472246 [1,0,0,0,0,0|2,0,1]=4 102 B5R0.2 CCNCCO Z1258992395 [1,0,0,0,0,0|2,0,1]=4 103 B5R0.2 CCOCCO Z104473122 [1,0,0,0,0,0|2,0,1]=4 104 B5R0.2 CNCCCO Z104756980 [1,0,0,0,0,0|1,0,1]=3 105 B5R0.2 CNCCOC Z1259162131 [1,0,0,0,0,0|2,1,0]=4 106 B5R0.2 CNCCSC Z1398461959 [1,0,0,0,0,0|2,0,0]=3 107 B5R0.2 COCCC#N Z277467992 [1,0,0,0,0,0|1,1,1]=4 108 B5R0.2 COCCCO Z431517702 [1,0,0,0,0,0|0,1,1]=3 109 B5R0.2 COCCOC Z104473014 [1,0,0,0,0,0|2,1,0]=4 110 B5R0.2 N#CCCCO Z385458622 [1,0,0,0,0,0|2,0,1]=4 111 B7R0.2 CC(=O)CC(C)C#N Z1258995681 [0,1,0,0,0,0|3,0,0]=4 112 B7R0.2 CC(CN)CC(=O)O Z1436472873 [0,1,0,0,0,0|2,0,0]=3 113 B7R0.2 CC/C(=C/C(=O)O)/C Z2583321519 [0,1,0,0,0,0|1,0,2]=4 114 B7R0.2 CCC(=O)CC(=O)C Z1013699870 [0,1,0,0,0,0|2,0,1]=4 115 B7R0.2 CCC(C)CC(=O)O Z352782882 [0,1,0,0,0,0|1,0,0]=2 116 B7R0.2 CCC(C)NC(=O)N Z56979270 [0,1,0,0,0,0|3,0,0]=4 117 B7R0.2 CCC(N)CC(=O)O Z1708090940 [0,1,0,0,0,0|1,0,0]=2 118 B7R0.2 CCN(C)CC(=O)O Z1459897022 [0,1,0,0,0,0|2,0,0]=3 119 B7R0.2 CN(CC(=O)O)N=O Z1198151307 [0,1,0,0,0,0|3,0,0]=4 120 B7R0.2 CNC(=O)CC(=O)O Z963467722 [0,1,0,0,0,0|1,0,1]=3 121 B7R0.2 CNC(C)CC(=O)N Z3070230004 [0,1,0,0,0,0|2,0,0]=3 122 B7R0.2 COC(C)CC(=O)O Z431536426 [0,1,0,0,0,0|0,1,0]=2 123 B7R0.2 NCC(O)CC(=O)O Z1255390571 [0,1,0,0,0,0|2,0,0]=3 124 B7R0.2 NC[C@@H](O)CC(=O)O Z1203578293 [0,1,0,0,0,0|2,0,0]=3 125 B7R0.2 NC[C@H](O)CC(=O)O Z1198160294 [0,1,0,0,0,0|2,0,0]=3 126 B7R0.3 CCCCC(=O)CC Z406378226 [0,1,0,0,0,0|2,0,0]=3 127 B7R0.3 CCCCN(C)N=O Z1198149449 [0,1,0,0,0,0|3,0,0]=4 128 B7R0.3 CCCNC(=O)CC Z33030426 [0,1,0,0,0,0|3,0,0]=4 129 B7R0.3 CCNCC(=O)NC Z55849445 [0,1,0,0,0,0|3,0,0]=4 130 B7R0.3 CCNCC(=O)OC Z138464962 [0,1,0,0,0,0|2,0,0]=3 131 B7R0.3 CNC(=N)CCOC Z2739543518 [0,1,0,0,0,0|2,1,0]=4 132 B7R0.3 CNC(=O)CCCN Z451350656 [0,1,0,0,0,0|3,0,0]=4 133 B7R0.3 CNCCC(=O)NC Z852427258 [0,1,0,0,0,0|2,0,0]=3 134 B7R0.3 CNCCC(=O)OC Z140562916 [0,1,0,0,0,0|1,0,0]=2 135 B7R0.3 COC(=O)CCC#N Z1179894109 [0,1,0,0,0,0|2,0,0]=3 136 B7R0.3 COC(=O)NCCN Z2237317343 [0,1,0,0,0,0|3,0,0]=4 137 B7R0.3 NCCCC(=O)NO Z3488307998 [0,1,0,0,0,0|2,0,0]=3 138 B7R0.3 O=C(CO)NCCO Z1203732626 [0,1,0,0,0,0|3,0,0]=4 139 B7R0.4 C#CCCNC(=O)C Z1188389866 [0,1,0,0,0,0|2,0,1]=4 140 B7R0.4 C#CCCNC(=O)N Z1188370499 [0,1,0,0,0,0|2,0,1]=4 141 B7R0.4 C#CCCOC(=O)N Z1509495134 [0,1,0,0,0,0|2,0,1]=4 142 B7R0.4 C#CCNCC(=O)O Z2513337624 [0,1,0,0,0,0|1,0,1]=3 143 B7R0.4 C#CCOCC(=O)O Z362807246 [0,1,0,0,0,0|1,0,1]=3 144 B7R0.4 C#CCSCC(=O)O Z149151642 [0,1,0,0,0,0|1,0,1]=3 145 B7R0.4 C/C=C/C=C/C(=O)O Z57127888 [0,1,0,0,0,0|1,0,2]=4 146 B7R0.4 C=CCCCC(=O)O Z1205493561 [0,1,0,0,0,0|1,0,1]=3 147 B7R0.4 C=CCNCC(=O)O Z803145546 [0,1,0,0,0,0|1,0,1]=3 148 B7R0.4 C=CCOCC(=O)O Z362807794 [0,1,0,0,0,0|1,0,1]=3 149 B7R0.4 C=CCSCC(=O)O Z149151274 [0,1,0,0,0,0|1,0,1]=3 150 B7R0.4 CC#CCCC(=O)O Z1205493674 [0,1,0,0,0,0|1,0,0]=2 151 B7R0.4 CC(=O)NCCCN Z295405102 [0,1,0,0,0,0|3,0,0]=4 152 B7R0.4 CC(=O)NCCCO Z353570744 [0,1,0,0,0,0|3,0,0]=4 153 B7R0.4 CCC/C=C/C(=O)O Z104506794 [0,1,0,0,0,0|1,0,1]=3 154 B7R0.4 CCCCCC(=N)N Z3490473907 [0,1,0,0,0,0|3,0,0]=4 155 B7R0.4 CCCCCC(=O)O Z104503532 [0,1,0,0,0,0|1,0,0]=2 156 B7R0.4 CCCCNC(=S)N Z56930717 [0,1,0,0,0,0|2,1,0]=4 157 B7R0.4 CCCCOC(=O)N Z104476286 [0,1,0,0,0,0|2,0,0]=3 158 B7R0.4 CCCNCC(=O)N Z2211231296 [0,1,0,0,0,0|2,0,0]=3 159 B7R0.4 CCCNCC(=O)O Z744582718 [0,1,0,0,0,0|1,0,0]=2 160 B7R0.4 CCCOCC(=O)O Z406677750 [0,1,0,0,0,0|1,0,0]=2 161 B7R0.4 CCCSCC(=O)C Z447929234 [0,1,0,0,0,0|2,0,0]=3 162 B7R0.4 CCCSCC(=O)O Z228425458 [0,1,0,0,0,0|1,0,0]=2 163 B7R0.4 CCNCCC(=O)N Z2681234913 [0,1,0,0,0,0|2,0,0]=3 164 B7R0.4 CCNCCC(=O)O Z1869802098 [0,1,0,0,0,0|1,0,0]=2 165 B7R0.4 CCOCCC(=O)O Z316258938 [0,1,0,0,0,0|0,1,0]=2 166 B7R0.4 CCSCCC(=O)O Z197206046 [0,1,0,0,0,0|0,0,0]=1 167 B7R0.4 CNCCCC(=O)O Z57043473 [0,1,0,0,0,0|1,0,0]=2 168 B7R0.4 CNCCNC(=O)C Z1456777974 [0,1,0,0,0,0|2,0,0]=3 169 B7R0.4 COCCCC(=N)N Z1267882086 [0,1,0,0,0,0|2,1,0]=4 170 B7R0.4 COCCCC(=O)C Z406376722 [0,1,0,0,0,0|1,1,0]=3 171 B7R0.4 COCCCC(=O)O Z316258912 [0,1,0,0,0,0|0,1,0]=2 172 B7R0.4 COCCCC(C)O Z854048762 [0,1,0,0,0,0|1,1,1]=4 173 B7R0.4 COCCNC(=O)N Z56904572 [0,1,0,0,0,0|1,1,0]=3 174 B7R0.4 COCOCC(=N)N Z1723549321 [0,1,0,0,0,0|2,1,0]=4 175 B7R0.4 CSCCCC(=O)O Z54602911 [0,1,0,0,0,0|0,0,0]=1 176 B7R0.4 N#CCCCC(=O)O Z1198152304 [0,1,0,0,0,0|1,0,1]=3 177 B7R0.4 N#CCSCC(=O)O Z19691779 [0,1,0,0,0,0|2,0,0]=3 178 B7R0.4 NC(=O)COCCO Z1198148880 [0,1,0,0,0,0|3,0,0]=4 179 B7R0.4 NC(=O)NCCCO Z198194722 [0,1,0,0,0,0|3,0,0]=4 180 B7R0.4 NCCCCC(=O)N Z1639630947 [0,1,0,0,0,0|2,0,0]=3 181 B7R0.4 NCCCCC(=O)O Z271111992 [0,1,0,0,0,0|1,0,0]=2 182 B7R0.4 NCCCOC(=O)N Z3337481796 [0,1,0,0,0,0|3,0,0]=4 183 B7R0.4 NCCNCC(=O)O Z2692249907 [0,1,0,0,0,0|2,0,0]=3 184 B7R0.4 NCCOCC(=O)N Z1428158847 [0,1,0,0,0,0|3,0,0]=4 185 B7R0.4 NCCOCC(=O)O Z1650039500 [0,1,0,0,0,0|2,0,0]=3 186 B7R0.4 NCCSCC(=O)O Z1381287295 [0,1,0,0,0,0|2,0,0]=3 187 B7R0.4 O=C(O)CCCCBr Z104479696 [0,1,0,0,0,0|1,0,0]=2 188 B7R0.4 O=C(O)CCCCS Z808230828 [0,1,0,0,0,0|1,0,0]=2 189 B7R0.4 O=C(O)CNCCO Z425411352 [0,1,0,0,0,0|2,0,0]=3 190 B7R0.4 O=C([O-])CCCCO Z2335631573 [0,1,0,0,0,0|1,0,1]=3 191 B7R0.4 O=C([O-])COCCO Z1744715804 [0,1,0,0,0,0|2,0,1]=4 192 B7R0.5 C#CCC(N)C(=O)N Z1203582923 [0,1,0,0,0,0|2,0,1]=4 193 B7R0.5 C/C=C/C(O)C(=O)O Z2515207189 [0,1,0,0,0,0|1,0,1]=3 194 B7R0.5 C=CCC(N)C(=O)O Z317024964 [0,1,0,0,0,0|1,0,1]=3 195 B7R0.5 C=CC[C@@H](N)C(=O)O Z1374884973 [0,1,0,0,0,0|1,0,1]=3 196 B7R0.5 CC(CCN)C(=O)O Z2298167292 [0,1,0,0,0,0|2,0,0]=3 197 B7R0.5 CC(NC=O)C(=O)O Z56757230 [0,1,0,0,0,0|3,0,0]=4 198 B7R0.5 CCCC(C)C(=O)O Z104477112 [0,1,0,0,0,0|1,0,0]=2 199 B7R0.5 CCCC(N)C(=O)O Z317024724 [0,1,0,0,0,0|1,0,0]=2 200 B7R0.5 CCC[C@@H](N)C(=O)O Z763365012 [0,1,0,0,0,0|1,0,0]=2 201 B7R0.5 CCC[C@H](N)C(=O)O Z1033300662 [0,1,0,0,0,0|1,0,0]=2 202 B7R0.5 CCNC(C)C(=O)O Z3181996310 [0,1,0,0,0,0|2,0,0]=3 203 B7R0.5 CCOC(C)C(=O)O Z316258934 [0,1,0,0,0,0|2,0,0]=3 204 B7R0.5 CNCC(C)C(=O)O Z1270387301 [0,1,0,0,0,0|1,0,0]=2 205 B7R0.5 COCC(C)C(=O)O Z431541094 [0,1,0,0,0,0|0,1,0]=2 206 B7R0.5 COCC(N)C(=O)O Z1613478163 [0,1,0,0,0,0|0,1,0]=2 207 B7R0.5 CSCC(C)C(=O)O Z732206684 [0,1,0,0,0,0|0,0,0]=1 208 B7R0.5 CSCC(N)C(=O)O Z317025996 [0,1,0,0,0,0|0,0,0]=1 209 B7R0.5 NC(CCF)C(=O)O Z2470036329 [0,1,0,0,0,0|2,0,0]=3 210 B7R0.5 NC(CCO)C(=O)O Z234896487 [0,1,0,0,0,0|2,0,0]=3 211 B7R0.5 NCCC(F)C(=O)O Z3235903750 [0,1,0,0,0,0|2,0,0]=3 212 B7R0.5 NCC[C@H](N)C(=O)O Z1741978716 [0,1,0,0,0,0|2,0,0]=3 213 B7R0.5 NCC[C@H](O)C(=O)O Z1203578154 [0,1,0,0,0,0|2,0,0]=3 214 B7R0.5 N[C@@H](CCO)C(=O)O Z1172369006 [0,1,0,0,0,0|2,0,0]=3 215 B7R0.5 N[C@H](CCO)C(=O)O Z608345098 [0,1,0,0,0,0|2,0,0]=3 216 B7R0.6 CC(=O)CCC(=O)O Z104477318 [0,1,0,0,0,0|1,0,0]=2 217 B7R0.6 CC(=O)NCC(=O)O Z85886676 [0,1,0,0,0,0|2,0,0]=3 218 B7R0.6 CC(=O)NCC(C)O Z353603952 [0,1,0,0,0,0|3,0,0]=4 219 B7R0.6 CC(C)C#CC(=O)O Z1205493820 [0,1,0,0,0,0|1,0,2]=4 220 B7R0.6 CC(C)CCC(=N)N Z2522503133 [0,1,0,0,0,0|3,0,0]=4 221 B7R0.6 CC(C)CCC(=O)O Z56347204 [0,1,0,0,0,0|1,0,0]=2 222 B7R0.6 CC(C)CNC(=O)N Z56895708 [0,1,0,0,0,0|3,0,0]=4 223 B7R0.6 CC(C)NCC(=O)N Z56969693 [0,1,0,0,0,0|3,0,0]=4 224 B7R0.6 CC(C)NCC(=O)O Z359419672 [0,1,0,0,0,0|2,0,0]=3 225 B7R0.6 CC(C)OCC(=O)O Z316259244 [0,1,0,0,0,0|2,0,0]=3 226 B7R0.6 CC(C)SCC(=O)O Z214812600 [0,1,0,0,0,0|2,0,0]=3 227 B7R0.6 CC(N)CCC(=O)O Z1235963367 [0,1,0,0,0,0|1,0,0]=2 228 B7R0.6 CC(N)CCS(=O)C Z1269750451 [0,1,0,0,0,0|3,0,0]=4 229 B7R0.6 CC(O)CCC(=O)O Z838959470 [0,1,0,0,0,0|1,0,0]=2 230 B7R0.6 CN(C)CCC(=N)N Z2582511037 [0,1,0,0,0,0|3,0,0]=4 231 B7R0.6 CN(C)CCC(=O)N Z168912842 [0,1,0,0,0,0|2,0,0]=3 232 B7R0.6 CN(C)CCC(=O)O Z168912830 [0,1,0,0,0,0|1,0,0]=2 233 B7R0.6 CN(C)CCC(=S)N Z370706836 [0,1,0,0,0,0|2,1,0]=4 234 B7R0.6 CS(=O)CCC(=O)O Z667974346 [0,1,0,0,0,0|0,0,1]=2 235 B7R0.6 N=C(N)NCC(=O)O Z586248684 [0,1,0,0,0,0|3,0,0]=4 236 B7R0.6 N=C(N)SCC(=O)O Z2944342055 [0,1,0,0,0,0|3,0,0]=4 237 B7R0.6 NC(=O)NCC(=O)O Z57009586 [0,1,0,0,0,0|3,0,0]=4 238 B7R0.6 O=C(O)CCC(=O)O Z57127453 [0,1,0,0,0,0|2,0,0]=3 239 B7R0.6 O=C(O)CN[N+](=O)[O-] Z1198158238 [0,1,0,0,0,0|3,0,0]=4 240 B7R0.8 CCCCS(=O)(=O)N Z55264566 [0,1,0,0,0,0|2,0,1]=4 241 B7R0.8 CNCCS(=O)(=O)C Z235580952 [0,1,0,0,0,0|2,0,1]=4 242 B7R0.8 CNCCS(=O)(=O)N Z2312320082 [0,1,0,0,0,0|2,0,1]=4 243 B7R0.8 CNCCS(=O)(=O)O Z3989262607 [0,1,0,0,0,0|2,0,0]=3 244 B7R0.8 COCCS(=O)(=O)N Z425361010 [0,1,0,0,0,0|1,1,1]=4 245 B7R0.8 NCCCS(=O)(=O)O Z1203578094 [0,1,0,0,0,0|3,0,0]=4 246 B7R1.2 CC1=NNC(=O)O1 Z1198174319 [0,0,0,1,0,0|3,0,0]=4 247 B7R1.2 CC1CC(=O)CN1 Z1509349081 [0,0,0,1,0,0|3,0,0]=4 248 B7R1.2 CC1CCC(=O)N1 Z1250132456 [0,0,0,1,0,0|2,0,0]=3 249 B7R1.2 CC1CCC(=O)O1 Z963595138 [0,0,0,1,0,0|1,0,0]=2 250 B7R1.2 CC1CCC(C1)O Z1233224917 [0,0,0,1,0,0|2,0,1]=4 251 B7R1.2 CC1CN=C(O1)N Z1203579428 [0,0,0,1,0,0|3,0,0]=4 252 B7R1.2 CC1CNC(=O)C1 Z959319678 [0,0,0,1,0,0|3,0,0]=4 253 B7R1.2 CC1CNC(=O)N1 Z1203730895 [0,0,0,1,0,0|3,0,0]=4 254 B7R1.2 CC1CNC(=O)O1 Z1198149952 [0,0,0,1,0,0|2,0,0]=3 255 B7R1.2 CN1CCC(=N1)N Z1582262999 [0,0,0,1,0,0|3,0,0]=4 256 B7R1.2 CN1CCC(=O)C1 Z415646350 [0,0,0,1,0,0|2,0,0]=3 257 B7R1.2 CN1CCC(=O)N1 Z1618125551 [0,0,0,1,0,0|2,0,0]=3 258 B7R1.2 NC1=CC(=O)CC1 Z1124125496 [0,0,0,1,0,0|3,0,0]=4 259 B7R1.2 O=C1CCC(=O)N1 Z57127349 [0,0,0,1,0,0|3,0,0]=4 260 B7R1.2 O=C1CCC(=O)O1 Z57127506 [0,0,0,1,0,0|2,0,0]=3 261 B7R1.3 C=C1CCNCC1 Z1124146875 [0,0,0,1,0,0|3,0,0]=4 262 B7R1.3 NC1=NCCCC1 Z1723418848 [0,0,0,1,0,0|3,0,0]=4 263 B7R1.3 NC1CCSCC1 Z992716928 [0,0,0,1,0,0|2,0,1]=4 264 B7R1.3 O=C1C=CCCC1 Z295197140 [0,0,0,1,0,0|2,0,1]=4 265 B7R1.3 O=C1C=CCCO1 Z1255402681 [0,0,0,1,0,0|1,0,2]=4 266 B7R1.3 O=C1CCCCC1 Z104474256 [0,0,0,1,0,0|2,0,0]=3 267 B7R1.3 O=C1CCCCN1 Z168817684 [0,0,0,1,0,0|2,0,0]=3 268 B7R1.3 O=C1CCCCO1 Z432085120 [0,0,0,1,0,0|1,0,0]=2 269 B7R1.3 O=C1CCCCS1 Z1726147018 [0,0,0,1,0,0|1,1,0]=3 270 B7R1.3 O=C1CCCNC1 Z3063726909 [0,0,0,1,0,0|3,0,0]=4 271 B7R1.3 O=C1CCCNN1 Z1416174508 [0,0,0,1,0,0|3,0,0]=4 272 B7R1.3 O=C1CCCSC1 Z979714552 [0,0,0,1,0,0|3,0,0]=4 273 B7R1.3 O=C1CCNCC1 Z1741959513 [0,0,0,1,0,0|2,0,0]=3 274 B7R1.3 O=C1CNCCN1 Z56968535 [0,0,0,1,0,0|3,0,0]=4 275 B7R1.3 O=C1CSCCN1 Z337709368 [0,0,0,1,0,0|3,0,0]=4 276 B7R1.3 O=C1NCCCN1 Z1203730774 [0,0,0,1,0,0|3,0,0]=4 277 B7R1.3 O=C1NCCCO1 Z1198312172 [0,0,0,1,0,0|2,0,0]=3 278 B7R1.3 O=C1NCNCN1 Z1255437058 [0,0,0,1,0,0|3,0,0]=4 279 B7R1.3 O=C1NNCCO1 Z2732442016 [0,0,0,1,0,0|3,0,0]=4 280 B7R1.3 O=S1CCNCC1 Z1263714072 [0,0,0,1,0,0|3,0,0]=4 281 B7R1.3 OC1CCCCC1 Z104473498 [0,0,0,1,0,0|2,0,1]=4 282 B7R1.3 OC1CCNCC1 Z56347197 [0,0,0,1,0,0|2,0,1]=4 283 B7R1.3 OC1CCOCC1 Z1359429523 [0,0,0,1,0,0|1,1,1]=4 284 B7R1.7 CCCCC1CO1 Z1020679810 [0,0,0,1,0,0|2,0,1]=4 285 B7R1.7 COCCC1CO1 Z1495386141 [0,0,0,1,0,0|1,1,1]=4 286 B7R1.10 C=C1CC(C1)NC Z3417039111 [0,0,0,1,0,0|3,0,0]=4 287 B7R1.10 C=CC1CC(=O)N1 Z1203730883 [0,0,0,1,0,0|2,0,1]=4 288 B7R1.10 CNC1CC(C1)O Z1318186466 [0,0,0,1,0,0|2,0,1]=4 289 B7R1.10 CSC1CC(C1)N Z2724378300 [0,0,0,1,0,0|2,0,1]=4 290 B7R1.10 CS[C@H]1C[C@H](C1)N Z5055881160 [0,0,0,1,0,0|2,0,1]=4 291 B7R1.12 CC(=O)C1CC1C Z1259336498 [0,0,0,1,0,0|2,0,0]=3 292 B7R1.12 CC1CC1C(=O)N Z33546780 [0,0,0,1,0,0|2,0,0]=3 293 B7R1.12 C[C@@H]1C[C@H]1C(=O)O Z1205493848 [0,0,0,1,0,0|1,0,0]=2 294 B7R1.12 C[C@H]1C[C@@H]1C(=O)O Z1205494110 [0,0,0,1,0,0|1,0,0]=2 295 B7R1.14 CC1(CCCC1)O Z449370856 [0,0,0,1,0,0|2,0,1]=4 296 B7R1.14 CC1(CCNC1)O Z1139194384 [0,0,0,1,0,0|2,0,1]=4 297 B7R1.14 CC1(CCSC1)N Z4990294346 [0,0,0,1,0,0|2,0,1]=4 298 B7R1.14 CC1(CCSC1)O Z1359841674 [0,0,0,1,0,0|1,0,1]=3 299 B7R1.14 N=S1(=O)CCCC1 Z1862022759 [0,0,0,1,0,0|3,0,0]=4 300 B7R1.18 CC(O)C1CCC1 Z1198149695 [0,0,0,1,0,0|2,0,1]=4 301 B7R1.18 N=C(N)C1CCC1 Z1532540511 [0,0,0,1,0,0|3,0,0]=4 302 B7R1.18 N=C(N)C1CNC1 Z4479186811 [0,0,0,1,0,0|3,0,0]=4 303 B7R1.18 NC(=O)C1CCC1 Z33546656 [0,0,0,1,0,0|2,0,0]=3 304 B7R1.18 NC(=O)C1CNC1 Z2754447740 [0,0,0,1,0,0|2,0,0]=3 305 B7R1.18 O=C(O)C1CCC1 Z104472264 [0,0,0,1,0,0|1,0,0]=2 306 B7R1.18 O=C(O)C1CCN1 Z168878270 [0,0,0,1,0,0|2,0,0]=3 307 B7R1.18 O=C(O)C1CNC1 Z1171217434 [0,0,0,1,0,0|1,0,0]=2 308 B7R1.18 O=C(O)C1CSC1 Z1205495555 [0,0,0,1,0,0|0,0,0]=1 309 B7R1.20 CC(=O)CC1CC1 Z1198160502 [0,0,0,1,0,0|2,0,0]=3 310 B7R1.20 NC(=O)CC1CC1 Z365255854 [0,0,0,1,0,0|2,0,0]=3 311 B7R1.20 NC(=O)NC1CC1 Z57000532 [0,0,0,1,0,0|3,0,0]=4 312 B7R1.20 O=C(O)CC1CC1 Z234893653 [0,0,0,1,0,0|1,0,0]=2 313 B4R0.1 C#CC(=O)O Z104493798 [2,0,0,0,0,0|0,0,2]=4 314 B4R0.1 C=CC(=O)O Z57127944 [2,0,0,0,0,0|0,0,2]=4 315 B4R0.1 CC(=O)CN Z1262398366 [2,0,0,0,0,0|2,0,0]=4 316 B4R0.1 CCC(=N)N Z1741969146 [2,0,0,0,0,0|2,0,0]=4 317 B4R0.1 CCC(=O)N Z33546482 [2,0,0,0,0,0|1,0,0]=3 318 B4R0.1 CCC(=O)O Z104474154 [2,0,0,0,0,0|0,0,0]=2 319 B4R0.1 CCC(=S)N Z241091446 [2,0,0,0,0,0|1,1,0]=4 320 B4R0.1 CC[C@@H](C)O Z1203162396 [2,0,0,0,0,0|1,0,1]=4 321 B4R0.1 CNC(=O)C Z32016274 [2,0,0,0,0,0|2,0,0]=4 322 B4R0.1 CNC(=O)N Z56932989 [2,0,0,0,0,0|2,0,0]=4 323 B4R0.1 COC(=O)N Z104476722 [2,0,0,0,0,0|1,1,0]=4 324 B4R0.1 CSC(=N)N Z1741980405 [2,0,0,0,0,0|2,0,0]=4 325 B4R0.1 NC(=O)CF Z104475768 [2,0,0,0,0,0|2,0,0]=4 326 B4R0.1 NC(=O)CI Z1080376832 [2,0,0,0,0,0|2,0,0]=4 327 B4R0.1 NC(=O)CO Z424788508 [2,0,0,0,0,0|1,1,0]=4 328 B4R0.1 NCC(=O)N Z1262254285 [2,0,0,0,0,0|2,0,0]=4 329 B4R0.1 NCC(=O)O Z955123660 [2,0,0,0,0,0|1,0,0]=3 330 B4R0.1 O=C(O)CBr Z104473018 [2,0,0,0,0,0|1,0,0]=3 331 B4R0.1 O=C(O)CO Z104473274 [2,0,0,0,0,0|0,1,0]=3 332 B4R0.2 CCCC#N Z238878246 [2,0,0,0,0,0|1,0,1]=4 333 B4R0.2 CCCCN Z104474314 [2,0,0,0,0,0|1,0,1]=4 334 B4R0.2 CCCCO Z104473488 [2,0,0,0,0,0|0,0,1]=3 335 B4R0.2 CCCNN Z415728048 [2,0,0,0,0,0|2,0,0]=4 336 B4R0.2 COCCO Z104473522 [2,0,0,0,0,0|0,1,0]=3 337 B4R0.2 CSCCO Z149154880 [2,0,0,0,0,0|0,0,0]=2 338 B4R0.2 NCCCO Z56771034 [2,0,0,0,0,0|1,0,1]=4 339 B6R0.1 C#CC(=O)OCC Z104478880 [1,1,0,0,0,0|2,0,0]=4 340 B6R0.1 C#CCC(=O)OC Z1198160347 [1,1,0,0,0,0|0,0,2]=4 341 B6R0.1 CCC(=O)COC Z825742020 [1,1,0,0,0,0|1,1,0]=4 342 B6R0.1 CCCC(=O)CN Z1203579017 [1,1,0,0,0,0|1,0,0]=3 343 B6R0.1 CCCC(=O)NO Z59181937 [1,1,0,0,0,0|0,0,0]=2 344 B6R0.1 CCCC(O)CN Z419084742 [1,1,0,0,0,0|1,0,1]=4 345 B6R0.1 CCCN(C)N=O Z1198147496 [1,1,0,0,0,0|2,0,0]=4 346 B6R0.1 CCNC(=O)CN Z54747476 [1,1,0,0,0,0|2,0,0]=4 347 B6R0.1 CCNC(=O)CO Z431952024 [1,1,0,0,0,0|1,0,0]=3 348 B6R0.1 CCOC(=O)CN Z594038186 [1,1,0,0,0,0|2,0,0]=4 349 B6R0.1 CCOC(=O)CO Z385458066 [1,1,0,0,0,0|1,0,0]=3 350 B6R0.1 CCOC(=O)NN Z104478458 [1,1,0,0,0,0|2,0,0]=4 351 B6R0.1 CNC(=O)CCCl Z239813512 [1,1,0,0,0,0|2,0,0]=4 352 B6R0.1 CNC(=O)CCN Z425449754 [1,1,0,0,0,0|2,0,0]=4 353 B6R0.1 CNC(=O)CCO Z975909370 [1,1,0,0,0,0|1,1,0]=4 354 B6R0.1 CNCC(=O)NC Z57981096 [1,1,0,0,0,0|2,0,0]=4 355 B6R0.1 CNCC(=O)OC Z89264972 [1,1,0,0,0,0|1,0,0]=3 356 B6R0.1 CSCC(C)CO Z1270310211 [1,1,0,0,0,0|1,0,1]=4 357 B6R0.1 CSCC(O)CO Z1126770422 [1,1,0,0,0,0|0,0,2]=4 358 B6R0.2 C/C(=C/C(=O)O)/I Z1508917269 [1,1,0,0,0,0|0,0,2]=4 359 B6R0.2 C=C(C)CC(=O)O Z295890066 [1,1,0,0,0,0|0,0,1]=3 360 B6R0.2 CC(=CC(=O)O)C Z104480144 [1,1,0,0,0,0|0,0,2]=4 361 B6R0.2 CC(=O)CC(C)N Z57329385 [1,1,0,0,0,0|1,0,0]=3 362 B6R0.2 CC(C)CB(O)O Z1098324138 [1,1,0,0,0,0|1,0,1]=4 363 B6R0.2 CC(C)CC(=N)N Z1346385639 [1,1,0,0,0,0|2,0,0]=4 364 B6R0.2 CC(C)CC(=O)N Z33546511 [1,1,0,0,0,0|1,0,0]=3 365 B6R0.2 CC(C)CC(=O)O Z104474910 [1,1,0,0,0,0|0,0,0]=2 366 B6R0.2 CC(C)NC(=O)N Z56887677 [1,1,0,0,0,0|2,0,0]=4 367 B6R0.2 CC(N)CC(=O)N Z594220690 [1,1,0,0,0,0|1,0,0]=3 368 B6R0.2 CC(N)CC(=O)O Z147647144 [1,1,0,0,0,0|0,0,0]=2 369 B6R0.2 CC(N)CS(=O)C Z1238793449 [1,1,0,0,0,0|2,0,0]=4 370 B6R0.2 CN(C)CC(=O)N Z54750057 [1,1,0,0,0,0|2,0,0]=4 371 B6R0.2 CN(C)CC(=O)O Z235580496 [1,1,0,0,0,0|1,0,0]=3 372 B6R0.2 CS(=O)CC(=O)N Z1203581973 [1,1,0,0,0,0|1,0,1]=4 373 B6R0.2 C[C@H](N)CC(=O)O Z1741969208 [1,1,0,0,0,0|0,0,0]=2 374 B6R0.2 NC(=O)CC(=O)O Z963467736 [1,1,0,0,0,0|0,1,1]=4 375 B6R0.2 O=C(O)CC(=O)O Z57965450 [1,1,0,0,0,0|0,1,1]=4 376 B6R0.3 C=CC(N)C(=O)O Z3244810526 [1,1,0,0,0,0|0,0,2]=4 377 B6R0.3 CC(C#N)C(=O)O Z852759720 [1,1,0,0,0,0|1,0,1]=4 378 B6R0.3 CC(CN)C(=O)O Z431542704 [1,1,0,0,0,0|1,0,0]=3 379 B6R0.3 CC(CO)C(=O)O Z431541400 [1,1,0,0,0,0|0,1,0]=3 380 B6R0.3 CCC(C)C(=N)N Z823287482 [1,1,0,0,0,0|2,0,0]=4 381 B6R0.3 CCC(C)C(=O)N Z270978420 [1,1,0,0,0,0|1,0,0]=3 382 B6R0.3 CCC(C)C(=O)O Z237374874 [1,1,0,0,0,0|0,0,0]=2 383 B6R0.3 CCC(N)C(=O)O Z104495144 [1,1,0,0,0,0|0,0,0]=2 384 B6R0.3 CCC(O)C(=O)N Z965049008 [1,1,0,0,0,0|1,0,0]=3 385 B6R0.3 CCC(O)C(=O)O Z246073650 [1,1,0,0,0,0|0,0,0]=2 386 B6R0.3 CCC(O)C(C)O Z1251352132 [1,1,0,0,0,0|1,0,1]=4 387 B6R0.3 CC[C@@H](N)C(=O)O Z904976986 [1,1,0,0,0,0|0,0,0]=2 388 B6R0.3 CC[C@H](C)C(=O)O Z1205493564 [1,1,0,0,0,0|0,0,0]=2 389 B6R0.3 CC[C@H](N)C(=O)O Z1741965569 [1,1,0,0,0,0|0,0,0]=2 390 B6R0.3 CNC(C)C(=O)O Z1278590830 [1,1,0,0,0,0|1,0,0]=3 391 B6R0.3 CN[C@@H](C)C(=O)N Z2143576643 [1,1,0,0,0,0|2,0,0]=4 392 B6R0.3 COC(C)C(=O)C Z447898138 [1,1,0,0,0,0|1,1,0]=4 393 B6R0.3 COC(C)C(=O)N Z223645218 [1,1,0,0,0,0|1,1,0]=4 394 B6R0.3 COC(C)C(=O)O Z316258898 [1,1,0,0,0,0|0,1,0]=3 395 B6R0.3 CSC(C)C(=N)N Z5622504221 [1,1,0,0,0,0|2,0,0]=4 396 B6R0.3 CSC(C)C(=O)O Z149191750 [1,1,0,0,0,0|0,0,0]=2 397 B6R0.3 CSC(C)C(C)O Z1273036711 [1,1,0,0,0,0|1,0,1]=4 398 B6R0.3 NC(CO)C(=O)O Z57396986 [1,1,0,0,0,0|0,1,0]=3 399 B6R0.3 NC(CS)C(=O)O Z966690626 [1,1,0,0,0,0|0,0,0]=2 400 B6R0.3 NCC(N)C(=O)O Z2465863279 [1,1,0,0,0,0|1,0,0]=3 401 B6R0.3 NCC(O)C(=O)N Z1889902538 [1,1,0,0,0,0|2,0,0]=4 402 B6R0.3 NC[C@@H](F)C(=O)O Z2695741427 [1,1,0,0,0,0|1,0,0]=3 403 B6R0.3 N[C@@H](CO)C(=O)O Z756440058 [1,1,0,0,0,0|0,1,0]=3 404 B6R0.3 N[C@@H](CS)C(=O)O Z760035162 [1,1,0,0,0,0|0,0,0]=2 405 B6R0.3 N[C@H](CO)C(=O)O Z1070067572 [1,1,0,0,0,0|0,1,0]=3 406 B6R0.3 O=C(O)C(=O)CBr Z1079181768 [1,1,0,0,0,0|1,0,1]=4 407 B6R0.5 CCCC(C)(C)O Z449374450 [1,1,0,0,0,0|1,0,1]=4 408 B6R0.5 NCCS(=O)(=O)O Z248489432 [1,1,0,0,0,0|2,0,0]=4 409 B6R0.5 O=S(=O)([O-])CCS Z594284202 [1,1,0,0,0,0|1,0,1]=4 410 B6R0.6 C=CCCCCN Z1198160046 [1,1,0,0,0,0|2,0,0]=4 411 B6R0.6 CCCCCCO Z104473568 [1,1,0,0,0,0|1,0,1]=4 412 B6R0.6 CCNCCCO Z138139914 [1,1,0,0,0,0|1,0,1]=4 413 B6R0.6 CCNCCSC Z2412193591 [1,1,0,0,0,0|1,0,1]=4 414 B6R0.6 CCOCCCO Z1080358490 [1,1,0,0,0,0|0,1,1]=4 415 B6R0.6 CNCCCCO Z839096662 [1,1,0,0,0,0|1,0,1]=4 416 B6R0.6 CNCCCOC Z137847932 [1,1,0,0,0,0|1,0,1]=4 417 B6R0.6 CNCCCSC Z102766932 [1,1,0,0,0,0|1,0,1]=4 418 B6R0.6 COCCCCO Z431605254 [1,1,0,0,0,0|0,1,1]=4 419 B6R0.6 COCCN=C=O Z1094719556 [1,1,0,0,0,0|0,1,1]=4 420 B6R0.6 O=CCCCC=O Z57127529 [1,1,0,0,0,0|1,0,1]=4 421 B8R0.2 C=CC(C)C(C)C(=O)O Z1205494257 [0,2,0,0,0,0|1,0,1]=4 422 B8R0.2 CC(CN)C(F)C(=O)O Z3556611783 [0,2,0,0,0,0|2,0,0]=4 423 B8R0.2 CCC(C)C(=O)C(=O)O Z1205493610 [0,2,0,0,0,0|1,0,1]=4 424 B8R0.2 CCC(C)C(C)C(=O)O Z792363910 [0,2,0,0,0,0|1,0,0]=3 425 B8R0.2 CCC(C)C(N)C(=O)N Z56979347 [0,2,0,0,0,0|2,0,0]=4 426 B8R0.2 CCC(C)C(N)C(=O)O Z104473608 [0,2,0,0,0,0|1,0,0]=3 427 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O Z1203578023 [0,2,0,0,0,0|1,0,0]=3 428 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O Z1203578040 [0,2,0,0,0,0|1,0,0]=3 429 B8R0.2 CC[C@@H](O)[C@@H](C)C(=O)O Z1205494177 [0,2,0,0,0,0|1,0,0]=3 430 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O Z1201618644 [0,2,0,0,0,0|1,0,0]=3 431 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O Z756427442 [0,2,0,0,0,0|1,0,0]=3 432 B8R0.2 COC(C)C(O)C(=O)O Z1509040637 [0,2,0,0,0,0|0,1,0]=3 433 B8R0.2 CSC(C)C(N)C(=O)O Z4511736963 [0,2,0,0,0,0|0,0,0]=2 434 B8R0.2 CSC(C)C(O)C(=O)O Z2787457174 [0,2,0,0,0,0|0,0,0]=2 435 B8R0.2 NC[C@@H](O)[C@@H](O)C(=O)O Z3270796459 [0,2,0,0,0,0|2,0,0]=4 436 B8R0.5 CC(CCN)CC(=O)O Z1442184827 [0,2,0,0,0,0|1,0,0]=3 437 B8R0.5 CCC/C(=C/C(=O)O)/C Z352746820 [0,2,0,0,0,0|1,0,1]=4 438 B8R0.5 CCCC(C)CC(=O)O Z352782810 [0,2,0,0,0,0|1,0,0]=3 439 B8R0.5 CCCC(O)CC(=O)O Z982132146 [0,2,0,0,0,0|1,0,0]=3 440 B8R0.5 CCCN(C)CC(=O)O Z1259273358 [0,2,0,0,0,0|1,0,0]=3 441 B8R0.5 CCNC(C)CC(=O)O Z1259161935 [0,2,0,0,0,0|1,0,0]=3 442 B8R0.5 COC/C(=C/C(=O)O)/C Z992443856 [0,2,0,0,0,0|0,1,1]=4 443 B8R0.5 COCC(C)CC(=O)O Z992443864 [0,2,0,0,0,0|0,1,0]=3 444 B8R0.5 COCC(C)NC(=O)N Z56989549 [0,2,0,0,0,0|1,1,0]=4 445 B8R0.16 CCC(CC)CC(=O)O Z352782266 [0,2,0,0,0,0|1,0,0]=3 446 B8R0.16 CCC(CN)CC(=O)O Z1436181093 [0,2,0,0,0,0|1,0,0]=3 447 B8R0.16 CCN(CC)CC(=O)O Z1250132725 [0,2,0,0,0,0|2,0,0]=4 448 B8R0.16 COC(CN)CC(=O)O Z1827898018 [0,2,0,0,0,0|0,1,0]=3 449 B8R0.19 COC(=O)CC(C)SC Z732206678 [0,2,0,0,0,0|0,0,0]=2 450 B8R0.23 C=C(C)CC(N)C(=O)O Z317024962 [0,2,0,0,0,0|1,0,0]=3 451 B8R0.23 C=C(Cl)CC(N)C(=O)O Z2689845474 [0,2,0,0,0,0|1,0,1]=4 452 B8R0.23 CC(=O)N(C)CC(=O)O Z85895184 [0,2,0,0,0,0|2,0,0]=4 453 B8R0.23 CC(=O)NC(C)C(=O)O Z104483794 [0,2,0,0,0,0|2,0,0]=4 454 B8R0.23 CC(=O)N[C@@H](C)C(=O)O Z98655371 [0,2,0,0,0,0|2,0,0]=4 455 B8R0.23 CC(=O)N[C@H](C)C(=O)O Z829930658 [0,2,0,0,0,0|2,0,0]=4 456 B8R0.23 CC(C)C(C)CC(=O)O Z234897253 [0,2,0,0,0,0|1,0,0]=3 457 B8R0.23 CC(C)C(N)CC(=O)O Z975823290 [0,2,0,0,0,0|1,0,0]=3 458 B8R0.23 CC(C)CC(=O)C(=O)O Z975823226 [0,2,0,0,0,0|1,0,1]=4 459 B8R0.23 CC(C)CC(C)C(=O)O Z756390494 [0,2,0,0,0,0|1,0,0]=3 460 B8R0.23 CC(C)CC(N)C(=O)O Z57127546 [0,2,0,0,0,0|1,0,0]=3 461 B8R0.23 CC(C)C[C@@H](N)C(=O)O Z850973972 [0,2,0,0,0,0|1,0,0]=3 462 B8R0.23 CC(C)C[C@H](N)C(=O)O Z756437526 [0,2,0,0,0,0|1,0,0]=3 463 B8R0.23 CC(C)N(C)CC(=O)O Z763366300 [0,2,0,0,0,0|2,0,0]=4 464 B8R0.23 CC(C)NC(C)C(=O)O Z449368966 [0,2,0,0,0,0|2,0,0]=4 465 B8R0.23 CC(C)SC(C)C(=O)O Z214845364 [0,2,0,0,0,0|2,0,0]=4 466 B8R0.23 CC(CC(=O)N)C(=O)O Z1203581899 [0,2,0,0,0,0|2,0,0]=4 467 B8R0.23 CC(CC(=O)O)C(=O)N Z1203579878 [0,2,0,0,0,0|2,0,0]=4 468 B8R0.23 CC(CC(=O)O)N(C)C Z431539982 [0,2,0,0,0,0|1,0,0]=3 469 B8R0.23 CC(CC(F)F)C(=O)O Z1198342616 [0,2,0,0,0,0|2,0,0]=4 470 B8R0.23 CC(CN(C)C)C(=O)O Z2106602539 [0,2,0,0,0,0|1,0,0]=3 471 B8R0.23 CC(CS(=O)C)C(=O)O Z802572188 [0,2,0,0,0,0|0,0,1]=3 472 B8R0.23 CC(N)CC(C)C(=O)O Z5272192378 [0,2,0,0,0,0|1,0,0]=3 473 B8R0.23 CN(C)C(=O)CC(=O)O Z963467438 [0,2,0,0,0,0|1,0,1]=4 474 B8R0.23 CN(C)CC(O)C(=O)O Z1205494800 [0,2,0,0,0,0|1,0,0]=3 475 B8R0.23 NC(=O)CC(N)C(=O)O Z104481196 [0,2,0,0,0,0|2,0,0]=4 476 B8R0.23 NC(=O)C[C@@H](N)C(=O)O Z1147451758 [0,2,0,0,0,0|2,0,0]=4 477 B8R0.23 NC(=O)C[C@H](N)C(=O)O Z1066276474 [0,2,0,0,0,0|2,0,0]=4 478 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Z1198149443 [0,2,0,0,0,0|2,0,0]=4 479 B8R0.23 NC(CC(=O)O)C(=O)O Z104474760 [0,2,0,0,0,0|2,0,0]=4 480 B8R0.23 NC(CC(F)F)C(=O)O Z1250080925 [0,2,0,0,0,0|2,0,0]=4 481 B8R0.23 N[C@@H](CC(=O)O)C(=O)O Z995084132 [0,2,0,0,0,0|2,0,0]=4 482 B8R0.23 N[C@H](CC(=O)O)C(=O)O Z1079451886 [0,2,0,0,0,0|2,0,0]=4 483 B8R0.23 O=C(O)CC(O)C(=O)O Z104473230 [0,2,0,0,0,0|2,0,0]=4 484 B8R0.23 O=C(O)CC(S)C(=O)O Z104478826 [0,2,0,0,0,0|2,0,0]=4 485 B8R0.23 O=C(O)C[C@@H](O)C(=O)O Z1205493568 [0,2,0,0,0,0|2,0,0]=4 486 B8R0.23 O=C(O)C[C@H](O)C(=O)O Z1201618618 [0,2,0,0,0,0|2,0,0]=4 487 B8R0.34 C=CC(C)(C)CC(=O)O Z1198162637 [0,2,0,0,0,0|1,0,1]=4 488 B8R0.34 CC(C)(C#N)CC(=O)O Z1205494237 [0,2,0,0,0,0|2,0,0]=4 489 B8R0.34 CC(C)(CN)CC(=O)O Z1723849148 [0,2,0,0,0,0|2,0,0]=4 490 B8R0.34 CC(O)(CN)CC(=O)O Z2379087949 [0,2,0,0,0,0|2,0,0]=4 491 B8R0.34 CCC(C)(C)CC(=O)O Z1198160089 [0,2,0,0,0,0|1,0,0]=3 492 B8R0.34 CCS(=O)(=O)CC(=O)O Z295402464 [0,2,0,0,0,0|2,0,0]=4 493 B8R0.34 CNS(=O)(=O)CC(=O)O Z351064480 [0,2,0,0,0,0|2,0,0]=4 494 B8R0.34 COC(C)(C)CC(=O)O Z1205494411 [0,2,0,0,0,0|0,1,0]=3 495 B8R0.1 CCCOC(=O)OCC Z2375631176 [0,2,0,0,0,0|2,0,0]=4 496 B8R0.1 CCOC(=O)CCNC Z2240989662 [0,2,0,0,0,0|1,0,0]=3 497 B8R0.1 COCCC(=O)COC Z992968820 [0,2,0,0,0,0|0,1,0]=3 498 B8R0.3 C=CCC(N)C(=O)OC Z3067784225 [0,2,0,0,0,0|1,0,1]=4 499 B8R0.3 CCCC(C)C(=O)CC Z1138187109 [0,2,0,0,0,0|2,0,0]=4 500 B8R0.3 CCCC(N)C(=O)NC Z1449756374 [0,2,0,0,0,0|2,0,0]=4 501 B8R0.3 CCCC(N)C(=O)NO Z1184862965 [0,2,0,0,0,0|1,0,0]=3 502 B8R0.3 CCCC(N)C(=O)OC Z1592042299 [0,2,0,0,0,0|1,0,0]=3 503 B8R0.3 CNCC(C)C(=O)NC Z1313717081 [0,2,0,0,0,0|2,0,0]=4 504 B8R0.3 COC(=O)C(C)CCN Z3025061158 [0,2,0,0,0,0|2,0,0]=4 505 B8R0.6 C=CCOCC(=O)OC Z362807786 [0,2,0,0,0,0|1,0,1]=4 506 B8R0.6 CCCCCC(=O)NO Z59181978 [0,2,0,0,0,0|1,0,0]=3 507 B8R0.6 CCCCNC(=O)CCl Z56853747 [0,2,0,0,0,0|2,0,0]=4 508 B8R0.6 CCCCOC(=O)CN Z1266823221 [0,2,0,0,0,0|2,0,0]=4 509 B8R0.6 CCCCOC(=O)OC Z1238573230 [0,2,0,0,0,0|1,0,0]=3 510 B8R0.6 CCCNCC(=O)NC Z104884728 [0,2,0,0,0,0|2,0,0]=4 511 B8R0.6 CCCNCC(=O)OC Z1836338844 [0,2,0,0,0,0|1,0,0]=3 512 B8R0.6 CNC(=O)CCCCN Z5282835224 [0,2,0,0,0,0|2,0,0]=4 513 B8R0.6 CNCCCC(=O)NC Z1457934887 [0,2,0,0,0,0|2,0,0]=4 514 B8R0.6 CNCCCC(=O)OC Z415636552 [0,2,0,0,0,0|1,0,0]=3 515 B8R0.6 COC(=O)CCCC#N Z415715362 [0,2,0,0,0,0|1,0,1]=4 516 B8R0.6 COC(=O)CCCCN Z854942764 [0,2,0,0,0,0|1,0,0]=3 517 B8R0.6 COC(=O)CCN=C=S Z237517204 [0,2,0,0,0,0|1,0,1]=4 518 B8R0.6 COC(=O)NCCCN Z3772660622 [0,2,0,0,0,0|2,0,0]=4 519 B8R0.6 COCCNC(=O)CCl Z56887684 [0,2,0,0,0,0|1,1,0]=4 520 B8R0.8 C#CCOC(C)C(=O)O Z362807268 [0,2,0,0,0,0|1,0,1]=4 521 B8R0.8 C/C=C/CC(N)C(=O)O Z3862089673 [0,2,0,0,0,0|1,0,0]=3 522 B8R0.8 C=CCCC(N)C(=O)O Z1703167872 [0,2,0,0,0,0|1,0,1]=4 523 B8R0.8 C=CCOC(C)C(=O)O Z362807816 [0,2,0,0,0,0|1,0,1]=4 524 B8R0.8 CC#CCC(N)C(=O)O Z1691545116 [0,2,0,0,0,0|1,0,0]=3 525 B8R0.8 CCCCC(C)C(=O)C Z727719632 [0,2,0,0,0,0|2,0,0]=4 526 B8R0.8 CCCCC(C)C(=O)O Z756390480 [0,2,0,0,0,0|1,0,0]=3 527 B8R0.8 CCCCC(N)C(=O)O Z57127434 [0,2,0,0,0,0|1,0,0]=3 528 B8R0.8 CCCCC(O)C(=O)O Z803065156 [0,2,0,0,0,0|1,0,0]=3 529 B8R0.8 CCCC[C@@H](N)C(=O)O Z1203578064 [0,2,0,0,0,0|1,0,0]=3 530 B8R0.8 CCCC[C@H](N)C(=O)O Z1203162297 [0,2,0,0,0,0|1,0,0]=3 531 B8R0.8 CCOCC(C)C(=O)O Z431541098 [0,2,0,0,0,0|0,1,0]=3 532 B8R0.8 CCOC[C@@H](N)C(=O)O Z2418414224 [0,2,0,0,0,0|0,1,0]=3 533 B8R0.8 CNCCN(C)C(=O)C Z1190219530 [0,2,0,0,0,0|2,0,0]=4 534 B8R0.8 COCCC(=O)C(C)C Z818737942 [0,2,0,0,0,0|1,1,0]=4 535 B8R0.8 COCCC(C)C(=O)O Z756390554 [0,2,0,0,0,0|0,1,0]=3 536 B8R0.8 COCCC(N)C(=O)O Z317025018 [0,2,0,0,0,0|0,1,0]=3 537 B8R0.8 CSCCC(=O)N(C)C Z32013664 [0,2,0,0,0,0|1,0,0]=3 538 B8R0.8 CSCCC(N)C(=O)O Z57127440 [0,2,0,0,0,0|0,0,0]=2 539 B8R0.8 CSCCC(O)C(=O)O Z788000926 [0,2,0,0,0,0|0,0,0]=2 540 B8R0.8 CSCC[C@@H](N)C(=O)O Z1147215595 [0,2,0,0,0,0|0,0,0]=2 541 B8R0.8 CSCC[C@H](N)C(=O)O Z756440050 [0,2,0,0,0,0|0,0,0]=2 542 B8R0.8 NCCCC(N)C(=O)O Z104476736 [0,2,0,0,0,0|1,0,0]=3 543 B8R0.8 NCCC[C@@H](N)C(=O)O Z1276446907 [0,2,0,0,0,0|1,0,0]=3 544 B8R0.8 NCCC[C@H](N)C(=O)O Z991547388 [0,2,0,0,0,0|1,0,0]=3 545 B8R0.8 NOCC[C@H](N)C(=O)O Z2941378358 [0,2,0,0,0,0|1,1,0]=4 546 B8R0.8 O=C([O-])C(O)CCCO Z2510259022 [0,2,0,0,0,0|1,0,1]=4 547 B8R0.9 C=CC(N)CCC(=O)O Z1255431434 [0,2,0,0,0,0|1,0,1]=4 548 B8R0.9 CC(C)CC/C(=N/O)/N Z285132796 [0,2,0,0,0,0|2,0,0]=4 549 B8R0.9 CC(C)CCC(=O)NO Z59183904 [0,2,0,0,0,0|1,0,0]=3 550 B8R0.9 CC(CN)CCC(=O)O Z1739254655 [0,2,0,0,0,0|1,0,0]=3 551 B8R0.9 CCC(=O)CCC(=O)O Z838955680 [0,2,0,0,0,0|1,0,0]=3 552 B8R0.9 CCC(=O)NCC(=O)O Z85886715 [0,2,0,0,0,0|1,0,1]=4 553 B8R0.9 CCC(C)CCC(=O)C Z955111260 [0,2,0,0,0,0|2,0,0]=4 554 B8R0.9 CCC(C)CCC(=O)O Z955111774 [0,2,0,0,0,0|1,0,0]=3 555 B8R0.9 CCC(C)NCC(=O)O Z425484950 [0,2,0,0,0,0|1,0,0]=3 556 B8R0.9 CCC(C)OCC(=O)O Z839103364 [0,2,0,0,0,0|1,0,0]=3 557 B8R0.9 CCN(C)CCC(=O)O Z1259335747 [0,2,0,0,0,0|1,0,0]=3 558 B8R0.9 CN(C)CCC(=O)NN Z56959747 [0,2,0,0,0,0|2,0,0]=4 559 B8R0.9 CNC(=O)CCC(=O)O Z429593572 [0,2,0,0,0,0|1,0,0]=3 560 B8R0.9 CNC(=O)NCC(=O)O Z223126780 [0,2,0,0,0,0|1,0,1]=4 561 B8R0.9 COC(=O)CCC(=O)O Z57663583 [0,2,0,0,0,0|0,1,0]=3 562 B8R0.9 COC(=O)NCC(=O)O Z111492620 [0,2,0,0,0,0|0,1,1]=4 563 B8R0.9 COC(C)CCC(=O)O Z963595334 [0,2,0,0,0,0|0,1,0]=3 564 B8R0.9 CSC(C)CCC(=O)O Z963595804 [0,2,0,0,0,0|0,0,0]=2 565 B8R0.9 NCC(=O)CCC(=O)O Z1741972992 [0,2,0,0,0,0|1,0,0]=3 566 B8R0.9 NCC(=O)NCC(=O)O Z56896934 [0,2,0,0,0,0|2,0,0]=4 567 B8R0.9 NCC(N)CCC(=O)O Z1259335825 [0,2,0,0,0,0|1,0,0]=3 568 B8R0.11 COC(CN)CCSC Z4918222120 [0,2,0,0,0,0|1,0,1]=4 569 B8R0.7 C#CCCNCC(=O)O Z4916843541 [0,2,0,0,0,0|1,0,1]=4 570 B8R0.7 C#CCCOCC(=O)O Z1205655947 [0,2,0,0,0,0|1,0,1]=4 571 B8R0.7 C#CCOCCC(=O)O Z362807240 [0,2,0,0,0,0|0,1,0]=3 572 B8R0.7 C=CCCOCC(=O)O Z362807886 [0,2,0,0,0,0|1,0,1]=4 573 B8R0.7 C=CCNCCC(=O)O Z3388124649 [0,2,0,0,0,0|1,0,0]=3 574 B8R0.7 CC#CCCCC(=O)O Z1205494323 [0,2,0,0,0,0|1,0,0]=3 575 B8R0.7 CC#CCNCC(=O)O Z4923954034 [0,2,0,0,0,0|1,0,0]=3 576 B8R0.7 CC#CCSCC(=O)N Z2346619972 [0,2,0,0,0,0|2,0,0]=4 577 B8R0.7 CC(=O)CCCCC#N Z2350907379 [0,2,0,0,0,0|2,0,0]=4 578 B8R0.7 CC(=O)NCCCCN Z600498842 [0,2,0,0,0,0|2,0,0]=4 579 B8R0.7 CCCCCCC(=O)O Z104474412 [0,2,0,0,0,0|1,0,0]=3 580 B8R0.7 CCCCNCC(=O)N Z398513412 [0,2,0,0,0,0|2,0,0]=4 581 B8R0.7 CCCCOCC(=O)O Z409190912 [0,2,0,0,0,0|1,0,0]=3 582 B8R0.7 CCCCSCC(=O)O Z239951532 [0,2,0,0,0,0|1,0,0]=3 583 B8R0.7 CCCNCCC(=O)O Z2944330072 [0,2,0,0,0,0|1,0,0]=3 584 B8R0.7 CCNCCCC(=O)O Z2937339976 [0,2,0,0,0,0|1,0,0]=3 585 B8R0.7 CCNCCNC(=O)C Z123868526 [0,2,0,0,0,0|2,0,0]=4 586 B8R0.7 CCOCCCC(=O)O Z316258950 [0,2,0,0,0,0|0,1,0]=3 587 B8R0.7 CCOCCNC(=O)N Z432417116 [0,2,0,0,0,0|1,1,0]=4 588 B8R0.7 CCSCCCC(=N)N Z1861964086 [0,2,0,0,0,0|2,0,0]=4 589 B8R0.7 CNCCCCC(=O)O Z3034937142 [0,2,0,0,0,0|1,0,0]=3 590 B8R0.7 CNCCCNC(=O)C Z1269638441 [0,2,0,0,0,0|2,0,0]=4 591 B8R0.7 COCCCCC(=O)O Z362633826 [0,2,0,0,0,0|0,1,0]=3 592 B8R0.7 COCCCNC(=O)N Z56979275 [0,2,0,0,0,0|1,1,0]=4 593 B8R0.7 COCCCOC(=O)C Z1123440688 [0,2,0,0,0,0|1,1,0]=4 594 B8R0.7 COCCNCC(=O)N Z1262250392 [0,2,0,0,0,0|1,1,0]=4 595 B8R0.7 COCCNCC(=O)O Z1276446903 [0,2,0,0,0,0|0,1,0]=3 596 B8R0.7 COCCOCC(=O)C Z447894346 [0,2,0,0,0,0|1,1,0]=4 597 B8R0.7 COCCOCC(=O)O Z104477918 [0,2,0,0,0,0|0,1,0]=3 598 B8R0.7 COCCSCC(=O)O Z167837764 [0,2,0,0,0,0|0,1,0]=3 599 B8R0.7 CSCCCCC(=O)O Z732206636 [0,2,0,0,0,0|0,0,0]=2 600 B8R0.7 CSCCNCC(=O)O Z2512524162 [0,2,0,0,0,0|0,0,0]=2 601 B8R0.7 N#CCCSCC(=O)O Z1205494587 [0,2,0,0,0,0|1,0,1]=4 602 B8R0.7 NCCCCCC(=O)O Z1272730910 [0,2,0,0,0,0|1,0,0]=3 603 B8R0.7 NCCCOCC(=O)O Z3178895188 [0,2,0,0,0,0|1,0,0]=3 604 B8R0.7 NCCOCCC(=O)O Z1262546494 [0,2,0,0,0,0|0,1,0]=3 605 B8R0.7 O=C(O)CCCCCBr Z104477716 [0,2,0,0,0,0|1,0,0]=3 606 B8R0.7 O=C(O)CCCCCF Z1205494157 [0,2,0,0,0,0|1,0,0]=3 607 B8R0.7 O=C(O)CCNCCO Z53116574 [0,2,0,0,0,0|1,0,0]=3 608 B8R0.7 O=C([O-])CNCCCO Z5147896273 [0,2,0,0,0,0|1,0,1]=4 609 B8R0.21 NCCCCS(=O)(=O)O Z1262622810 [0,2,0,0,0,0|2,0,0]=4 610 B8R0.28 CC(=CCCC(=O)O)C Z1198162635 [0,2,0,0,0,0|1,0,0]=3 611 B8R0.28 CC(=O)CCCC(=O)O Z147652222 [0,2,0,0,0,0|1,0,0]=3 612 B8R0.28 CC(=O)CSCC(=O)[O-] Z1359429555 [0,2,0,0,0,0|1,0,1]=4 613 B8R0.28 CC(=O)NCCC(=O)O Z56886421 [0,2,0,0,0,0|1,0,0]=3 614 B8R0.28 CC(=O)OCCC(=O)O Z216124300 [0,2,0,0,0,0|0,1,0]=3 615 B8R0.28 CC(C)CCCC(=O)O Z426022098 [0,2,0,0,0,0|1,0,0]=3 616 B8R0.28 CC(C)CCNC(=O)N Z56904577 [0,2,0,0,0,0|2,0,0]=4 617 B8R0.28 CC(C)CNCC(=O)N Z234894923 [0,2,0,0,0,0|2,0,0]=4 618 B8R0.28 CC(C)CNCC(=O)O Z1259273209 [0,2,0,0,0,0|1,0,0]=3 619 B8R0.28 CC(C)CSCC(=O)O Z96112845 [0,2,0,0,0,0|1,0,0]=3 620 B8R0.28 CC(C)NCCC(=O)O Z235348215 [0,2,0,0,0,0|1,0,0]=3 621 B8R0.28 CC(C)OCCC(=O)O Z316259248 [0,2,0,0,0,0|0,1,0]=3 622 B8R0.28 CC(N)CCCC(=O)O Z1551469174 [0,2,0,0,0,0|1,0,0]=3 623 B8R0.28 CC(N)COCC(=O)O Z3789755599 [0,2,0,0,0,0|1,0,0]=3 624 B8R0.28 CC(O)CCCC(=O)[O-] Z1762997411 [0,2,0,0,0,0|1,0,1]=4 625 B8R0.28 CC(O)CNCC(=O)[O-] Z3690977946 [0,2,0,0,0,0|1,0,1]=4 626 B8R0.28 N=C(N)NCCC(=O)O Z959165114 [0,2,0,0,0,0|1,0,1]=4 627 B8R0.28 NC(=O)CCCC(=O)O Z336080698 [0,2,0,0,0,0|1,0,1]=4 628 B8R0.28 NC(=O)CNCC(=O)O Z4658099947 [0,2,0,0,0,0|2,0,0]=4 629 B8R0.28 NC(=O)CSCC(=O)O Z19691778 [0,2,0,0,0,0|2,0,0]=4 630 B8R0.28 NC(=O)NCCC(=O)O Z56347556 [0,2,0,0,0,0|1,0,1]=4 631 B8R0.28 O=C(O)CCCC(=O)O Z57127454 [0,2,0,0,0,0|1,0,1]=4 632 B8R0.28 O=C(O)CNCC(=O)O Z104476528 [0,2,0,0,0,0|2,0,0]=4 633 B8R0.28 O=C(O)COCC(=O)O Z57965384 [0,2,0,0,0,0|2,0,0]=4 634 B8R0.28 O=C(O)CSCC(=O)O Z104478584 [0,2,0,0,0,0|2,0,0]=4 635 B8R0.12 CC(C)(CCN)C(=O)O Z1198151185 [0,2,0,0,0,0|2,0,0]=4 636 B8R0.12 CC(N)(CCF)C(=O)O Z2509305784 [0,2,0,0,0,0|2,0,0]=4 637 B8R0.12 CCCC(C)(C)C(=O)N Z1198157529 [0,2,0,0,0,0|2,0,0]=4 638 B8R0.12 CCCC(C)(N)C(=O)O Z317024732 [0,2,0,0,0,0|1,0,0]=3 639 B8R0.12 CCCC(C)(O)C(=O)O Z788000960 [0,2,0,0,0,0|1,0,0]=3 640 B8R0.12 CCNC(C)(C)C(=O)O Z1259161934 [0,2,0,0,0,0|2,0,0]=4 641 B8R0.12 COCC(C)(C)C(=O)O Z1198275672 [0,2,0,0,0,0|0,1,0]=3 642 B8R0.12 COCC(C)(N)C(=O)N Z1267773731 [0,2,0,0,0,0|1,1,0]=4 643 B8R0.12 COCC(C)(N)C(=O)O Z1346385711 [0,2,0,0,0,0|0,1,0]=3 644 B8R0.12 COCC(C)(O)C(=O)O Z992448466 [0,2,0,0,0,0|0,1,0]=3 645 B8R0.12 CSCC(C)(C)C(=O)O Z1205494330 [0,2,0,0,0,0|0,0,0]=2 646 B8R0.12 NCCC(F)(F)C(=O)O Z2310718931 [0,2,0,0,0,0|2,0,0]=4 647 B8R0.15 CCCC(CC)C(=O)O Z756391368 [0,2,0,0,0,0|1,0,0]=3 648 B8R0.15 CCCC(CN)C(=O)O Z970060188 [0,2,0,0,0,0|1,0,0]=3 649 B8R0.15 CCCC(OC)C(=O)O Z1201627136 [0,2,0,0,0,0|1,0,0]=3 650 B8R0.15 CCNC(CC)C(=O)O Z3271143096 [0,2,0,0,0,0|2,0,0]=4 651 B8R0.15 CCNC(CO)C(=O)O Z4780865118 [0,2,0,0,0,0|2,0,0]=4 652 B8R0.15 CCOC(CC)C(=O)O Z449367060 [0,2,0,0,0,0|2,0,0]=4 653 B8R0.15 CNC(COC)C(=O)O Z1250132318 [0,2,0,0,0,0|0,1,0]=3 654 B8R0.15 CN[C@@H](COC)C(=O)N Z2213893319 [0,2,0,0,0,0|1,1,0]=4 655 B8R0.29 CC(=O)CCC(C)(C)C Z992965824 [0,2,0,0,0,0|2,0,0]=4 656 B8R0.29 CC(=O)CCS(=O)(=O)C Z992965806 [0,2,0,0,0,0|1,0,1]=4 657 B8R0.29 CC(C)(C)CCC(=O)O Z819990896 [0,2,0,0,0,0|1,0,0]=3 658 B8R0.29 CC(C)(C)OCC(=O)O Z362795372 [0,2,0,0,0,0|2,0,0]=4 659 B8R0.29 CC(C)(C)SCC(=O)O Z66636002 [0,2,0,0,0,0|2,0,0]=4 660 B8R0.29 CC(C)(N)CCC(=O)O Z1259041013 [0,2,0,0,0,0|1,0,0]=3 661 B8R0.29 CC(C)(O)CCC(=O)[O-] Z1718361752 [0,2,0,0,0,0|1,0,1]=4 662 B8R0.29 CC(F)(F)CCC(=O)O Z316121454 [0,2,0,0,0,0|1,0,0]=3 663 B8R0.29 CS(=O)(=O)CCC(=O)O Z295403530 [0,2,0,0,0,0|0,0,1]=3 664 B8R0.29 NS(=O)(=O)CCC(=O)O Z327222556 [0,2,0,0,0,0|1,0,1]=4 665 B8R0.29 O=C(O)CCS(=O)(=O)[O-] Z2301438443 [0,2,0,0,0,0|1,0,1]=4 666 B6R1.2 N=C1CCCN1 Z204007506 [1,0,0,1,0,0|2,0,0]=4 667 B6R1.2 NC1=NCCO1 Z336087916 [1,0,0,1,0,0|2,0,0]=4 668 B6R1.2 O=C1C=CCO1 Z1219048777 [1,0,0,1,0,0|0,0,2]=4 669 B6R1.2 O=C1CCCN1 Z104472846 [1,0,0,1,0,0|1,0,0]=3 670 B6R1.2 O=C1CCNC1 Z1741976513 [1,0,0,1,0,0|2,0,0]=4 671 B6R1.2 O=C1CCNN1 Z2935001239 [1,0,0,1,0,0|2,0,0]=4 672 B6R1.2 O=C1CCSC1 Z104495638 [1,0,0,1,0,0|1,0,0]=3 673 B6R1.2 O=C1NCCN1 Z104494954 [1,0,0,1,0,0|2,0,0]=4 674 B6R1.2 O=C1NCCO1 Z104474784 [1,0,0,1,0,0|1,0,0]=3 675 B6R1.2 O=C1NCCS1 Z55928860 [1,0,0,1,0,0|1,1,0]=4 676 B6R1.2 O=C1OCCO1 Z1172235744 [1,0,0,1,0,0|1,0,0]=3 677 B6R1.2 O=S1CCCC1 Z278052312 [1,0,0,1,0,0|2,0,0]=4 678 B6R1.2 OC1CCSC1 Z335244836 [1,0,0,1,0,0|1,0,1]=4 679 B6R1.10 CC1(CCC1)O Z1241455013 [1,0,0,1,0,0|1,0,1]=4 680 B6R1.11 N=C(N)C1CC1 Z935140732 [1,0,0,1,0,0|2,0,0]=4 681 B6R1.11 O=S([O-])C1CC1 Z1741965693 [1,0,0,1,0,0|1,0,1]=4 682 B6R1.1 C1=CCCCC1 Z104474726 [1,0,0,1,0,0|2,0,0]=4 683 B6R1.1 C1=CCNCC1 Z1623864216 [1,0,0,1,0,0|2,0,0]=4 684 B6R1.1 C1CCONC1 Z1787355355 [1,0,0,1,0,0|2,0,0]=4 685 B6R1.1 C1CSCCN1 Z352252014 [1,0,0,1,0,0|2,0,0]=4 686 B6R1.6 O=CC1CCC1 Z1079442452 [1,0,0,1,0,0|1,0,0]=3 687 B8R1.1 CCC1CCC(=O)N1 Z1203731077 [0,1,0,1,0,0|2,0,0]=4 688 B8R1.1 CCC1CNC(=O)C1 Z1198235318 [0,1,0,1,0,0|2,0,0]=4 689 B8R1.1 COC1=CC(=O)CC1 Z871868704 [0,1,0,1,0,0|1,1,0]=4 690 B8R1.1 COC1CNC(=O)C1 Z1203749511 [0,1,0,1,0,0|1,1,0]=4 691 B8R1.1 CSC1=NC(=O)CN1 Z2602503120 [0,1,0,1,0,0|1,0,1]=4 692 B8R1.1 NCC1CCC(=O)N1 Z1171481666 [0,1,0,1,0,0|2,0,0]=4 693 B8R1.1 NCC1CCC(=O)O1 Z1262632907 [0,1,0,1,0,0|1,0,0]=3 694 B8R1.1 NCC1CNC(=O)O1 Z2028214442 [0,1,0,1,0,0|2,0,0]=4 695 B8R1.1 NCC1COC(=O)C1 Z1262663655 [0,1,0,1,0,0|2,0,0]=4 696 B8R1.1 NCC1COC(=O)O1 Z3474887077 [0,1,0,1,0,0|2,0,0]=4 697 B8R1.1 NC[C@H]1COC(=O)O1 Z3951135907 [0,1,0,1,0,0|2,0,0]=4 698 B8R1.1 O=C1CCC(N1)CO Z235344363 [0,1,0,1,0,0|2,0,0]=4 699 B8R1.1 O=C1CC[C@H](N1)CO Z235344345 [0,1,0,1,0,0|2,0,0]=4 700 B8R1.1 O=C1NCC(O1)CCl Z56346848 [0,1,0,1,0,0|2,0,0]=4 701 B8R1.4 CC1=CC(=O)CCC1 Z1042078386 [0,1,0,1,0,0|2,0,0]=4 702 B8R1.4 CC1CC(=O)CCN1 Z2900188073 [0,1,0,1,0,0|2,0,0]=4 703 B8R1.4 CC1CC(=O)CCO1 Z1192341264 [0,1,0,1,0,0|1,1,0]=4 704 B8R1.4 CC1CC=CC(=O)O1 Z1509022444 [0,1,0,1,0,0|1,0,1]=4 705 B8R1.4 CC1CCCC(=O)C1 Z56899044 [0,1,0,1,0,0|2,0,0]=4 706 B8R1.4 CC1CCCC(=O)N1 Z1198150789 [0,1,0,1,0,0|2,0,0]=4 707 B8R1.4 CC1CCNC(=O)C1 Z1203731366 [0,1,0,1,0,0|2,0,0]=4 708 B8R1.4 CC1CNCC(=O)N1 Z1198172719 [0,1,0,1,0,0|2,0,0]=4 709 B8R1.4 CN1CCCC(=O)C1 Z3034966673 [0,1,0,1,0,0|2,0,0]=4 710 B8R1.4 O=C1CC(CCN1)O Z1198221829 [0,1,0,1,0,0|2,0,0]=4 711 B8R1.4 O=C1CCSC(=O)N1 Z56871611 [0,1,0,1,0,0|1,0,1]=4 712 B8R1.4 O=C1COCC(=O)O1 Z85923414 [0,1,0,1,0,0|2,0,0]=4 713 B8R1.18 CC1CC(=O)NC1C Z1203733092 [0,1,0,1,0,0|2,0,0]=4 714 B8R1.18 CC1CC(C(=O)N1)C Z1203733105 [0,1,0,1,0,0|2,0,0]=4 715 B8R1.18 CC1CC(C(=O)O1)N Z118507726 [0,1,0,1,0,0|1,0,0]=3 716 B8R1.18 CN1CC(C(=O)N1)N Z1332661939 [0,1,0,1,0,0|2,0,0]=4 717 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O Z2471604870 [0,1,0,1,0,0|1,0,0]=3 718 B8R1.31 O=C(O)C1=C(CC1)Cl Z3358630818 [0,1,0,1,0,0|2,0,0]=4 719 B8R1.31 O=C(O)C1CCC1F Z2035936452 [0,1,0,1,0,0|1,0,0]=3 720 B8R1.34 CC(=O)CC1CCC1 Z1263592386 [0,1,0,1,0,0|2,0,0]=4 721 B8R1.34 CC(=O)NC1CNC1 Z1198175578 [0,1,0,1,0,0|2,0,0]=4 722 B8R1.34 NC(=O)CC1CNC1 Z1459435453 [0,1,0,1,0,0|2,0,0]=4 723 B8R1.34 NC(=O)NC1CCC1 Z979783478 [0,1,0,1,0,0|2,0,0]=4 724 B8R1.34 O=C(O)C=C1CCC1 Z1205494261 [0,1,0,1,0,0|1,0,1]=4 725 B8R1.34 O=C(O)CC1CCC1 Z1115947835 [0,1,0,1,0,0|1,0,0]=3 726 B8R1.34 O=C(O)CN1CCC1 Z1255373566 [0,1,0,1,0,0|1,0,0]=3 727 B8R1.40 COC(=O)CC1CC1 Z380123290 [0,1,0,1,0,0|1,0,0]=3 728 B8R1.40 COC(=O)CC1CO1 Z2689606459 [0,1,0,1,0,0|0,1,0]=3 729 B8R1.40 O=C(CCl)CC1CC1 Z1386913809 [0,1,0,1,0,0|2,0,0]=4 730 B8R1.40 O=C(CO)NC1CC1 Z431952008 [0,1,0,1,0,0|2,0,0]=4 731 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O Z2235790965 [0,1,0,1,0,0|1,0,0]=3 732 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O Z2310010920 [0,1,0,1,0,0|1,0,1]=4 733 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O Z2310010923 [0,1,0,1,0,0|1,0,1]=4 734 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O Z3718352401 [0,1,0,1,0,0|1,0,0]=3 735 B8R1.43 O=C([O-])[C@@H]1C[C@H]1CO Z3717749370 [0,1,0,1,0,0|1,0,1]=4 736 B8R1.43 O=C[C@@H]1C[C@H]1C(=O)O Z3664810585 [0,1,0,1,0,0|1,0,1]=4 737 B8R1.43 O=C[C@H]1C[C@H]1C(=O)O Z2944291920 [0,1,0,1,0,0|1,0,1]=4 738 B8R1.51 CC1(CCC(=O)N1)C Z1198150849 [0,1,0,1,0,0|2,0,0]=4 739 B8R1.51 CC1(CCC(=O)O1)C Z854234982 [0,1,0,1,0,0|1,0,0]=3 740 B8R1.51 CC1(CNC(=O)O1)C Z1203730984 [0,1,0,1,0,0|2,0,0]=4 741 B8R1.67 C[C@@H]1C([C@@H]1C)C(=O)O Z3243444186 [0,1,0,1,0,0|1,0,0]=3 742 B8R1.83 CC1CC1C(=O)CCl Z1386913500 [0,1,0,1,0,0|2,0,0]=4 743 B8R1.83 CC1CC1C(=O)NN Z58981971 [0,1,0,1,0,0|2,0,0]=4 744 B8R1.83 CCC(=O)C1CC1C Z1259336402 [0,1,0,1,0,0|2,0,0]=4 745 B8R1.2 COC1=NCCCC1 Z729471270 [0,1,0,1,0,0|2,0,0]=4 746 B8R1.2 O=CC1=CCCCC1 Z1190318865 [0,1,0,1,0,0|2,0,0]=4 747 B8R1.2 O=CC1=CCOCC1 Z1511760351 [0,1,0,1,0,0|1,1,0]=4 748 B8R1.2 O=CC1CCCCO1 Z1079442734 [0,1,0,1,0,0|1,0,1]=4 749 B8R1.2 O=CC1CCSCC1 Z1201622265 [0,1,0,1,0,0|1,0,1]=4 750 B8R1.2 O=NN1CCSCC1 Z1198157610 [0,1,0,1,0,0|2,0,0]=4 751 B8R1.2 OCC1=CCNCC1 Z2310702179 [0,1,0,1,0,0|2,0,0]=4 752 B8R1.2 OCC1CCSCC1 Z1198266791 [0,1,0,1,0,0|1,0,1]=4 753 B8R1.2 ON=C1CCCCC1 Z49568468 [0,1,0,1,0,0|2,0,0]=4 754 B8R1.3 CC1=NNC(=O)CC1 Z49527484 [0,1,0,1,0,0|2,0,0]=4 755 B8R1.3 CC1CCC(=O)CC1 Z57073963 [0,1,0,1,0,0|2,0,0]=4 756 B8R1.3 CC1CCC(=O)NC1 Z969194082 [0,1,0,1,0,0|2,0,0]=4 757 B8R1.3 NC1CCC(=O)CC1 Z1198169628 [0,1,0,1,0,0|2,0,0]=4 758 B8R1.3 NC1CCC(=O)NC1 Z992717028 [0,1,0,1,0,0|2,0,0]=4 759 B8R1.3 O=C1CCC(=O)CC1 Z877626718 [0,1,0,1,0,0|2,0,0]=4 760 B8R1.3 O=C1CCC(=O)NC1 Z1198221828 [0,1,0,1,0,0|2,0,0]=4 761 B8R1.3 O=C1CCS(=O)CC1 Z826531086 [0,1,0,1,0,0|1,0,1]=4 762 B8R1.3 O=C1COC(=O)CO1 Z1201618919 [0,1,0,1,0,0|2,0,0]=4 763 B8R1.5 CC1CCCCC1=O Z104477192 [0,1,0,1,0,0|2,0,0]=4 764 B8R1.5 CC1CCCNC1=O Z1013766916 [0,1,0,1,0,0|2,0,0]=4 765 B8R1.5 CC1CNCCC1=O Z1741969235 [0,1,0,1,0,0|2,0,0]=4 766 B8R1.5 CC1COCCC1=O Z1192338803 [0,1,0,1,0,0|1,1,0]=4 767 B8R1.5 NC1CCCCC1=O Z2186882796 [0,1,0,1,0,0|2,0,0]=4 768 B8R1.5 NC1CCCNC1=O Z993991168 [0,1,0,1,0,0|2,0,0]=4 769 B8R1.5 NN1CCCCC1=O Z976663668 [0,1,0,1,0,0|2,0,0]=4 770 B8R1.5 O=C1CCCCC1=O Z90122041 [0,1,0,1,0,0|1,0,1]=4 771 B8R1.5 O=C1CCCCC1Cl Z94598693 [0,1,0,1,0,0|2,0,0]=4 772 B8R1.5 O=C1NCCCC1F Z1203749514 [0,1,0,1,0,0|2,0,0]=4 773 B8R1.22 O=C1CCCCCC1 Z104473100 [0,1,0,1,0,0|2,0,0]=4 774 B8R1.22 O=C1CCNCCN1 Z119989554 [0,1,0,1,0,0|2,0,0]=4 775 B8R1.22 O=C1CCOCCN1 Z821098578 [0,1,0,1,0,0|1,1,0]=4 776 B8R1.22 O=C1CCSCCN1 Z1198315286 [0,1,0,1,0,0|1,0,0]=3 777 B8R1.22 O=C1CNCCCN1 Z2756332573 [0,1,0,1,0,0|2,0,0]=4 778 B8R1.22 O=C1COCCCN1 Z1203733065 [0,1,0,1,0,0|2,0,0]=4 779 B8R1.38 CCC(=O)C1CCC1 Z1251352405 [0,1,0,1,0,0|2,0,0]=4 780 B8R1.38 CNC(=O)C1CNC1 Z1651744906 [0,1,0,1,0,0|2,0,0]=4 781 B8R1.38 COC(=O)C1CCC1 Z18374544 [0,1,0,1,0,0|1,0,0]=3 782 B8R1.38 NCC(=O)C1CCC1 Z2568737813 [0,1,0,1,0,0|2,0,0]=4 783 B8R1.38 O=C(CCl)C1CCC1 Z1238572148 [0,1,0,1,0,0|2,0,0]=4 784 B8R1.50 CC1=C(C(=O)CC1)O Z1483987834 [0,1,0,1,0,0|1,0,0]=3 785 B8R1.50 CC1=C(C(=O)OC1)O Z1255374651 [0,1,0,1,0,0|2,0,0]=4 786 B8R1.50 O=C1CCC(=O)N1O Z56933833 [0,1,0,1,0,0|2,0,0]=4 787 B8R1.52 NCC1(CCSC1)O Z1333761731 [0,1,0,1,0,0|1,0,1]=4 788 B8R1.6 CCCC1CC(=O)N1 Z1198168176 [0,1,0,1,0,0|2,0,0]=4 789 B8R1.6 NCCC1CC(=O)C1 Z2681245722 [0,1,0,1,0,0|2,0,0]=4 790 B8R1.7 CC(=O)C1CCCC1 Z513735352 [0,1,0,1,0,0|2,0,0]=4 791 B8R1.7 CC(=O)C1CCNC1 Z3011567326 [0,1,0,1,0,0|2,0,0]=4 792 B8R1.7 CC(=O)C1CCOC1 Z1138843358 [0,1,0,1,0,0|1,1,0]=4 793 B8R1.7 NC(=O)C1CCCC1 Z33546657 [0,1,0,1,0,0|2,0,0]=4 794 B8R1.7 NC(=O)C1CCCN1 Z56945990 [0,1,0,1,0,0|2,0,0]=4 795 B8R1.7 NC(=O)C1CCCO1 Z33545380 [0,1,0,1,0,0|2,0,0]=4 796 B8R1.7 NC(=O)C1CCNC1 Z1198394223 [0,1,0,1,0,0|2,0,0]=4 797 B8R1.7 NC(=O)C1CCOC1 Z802555342 [0,1,0,1,0,0|1,1,0]=4 798 B8R1.7 NC(=O)C1CSCN1 Z316101160 [0,1,0,1,0,0|1,0,0]=3 799 B8R1.7 NC(=O)N1CCCC1 Z56907605 [0,1,0,1,0,0|2,0,0]=4 800 B8R1.7 O=C(O)C1=CCCC1 Z1205493596 [0,1,0,1,0,0|1,0,1]=4 801 B8R1.7 O=C(O)C1=COCC1 Z1013753090 [0,1,0,1,0,0|0,1,1]=4 802 B8R1.7 O=C(O)C1=NOCC1 Z1205494291 [0,1,0,1,0,0|1,1,0]=4 803 B8R1.7 O=C(O)C1C=CCN1 Z2902023058 [0,1,0,1,0,0|1,0,1]=4 804 B8R1.7 O=C(O)C1CC=CC1 Z1205493626 [0,1,0,1,0,0|1,0,0]=3 805 B8R1.7 O=C(O)C1CCCC1 Z104476116 [0,1,0,1,0,0|1,0,0]=3 806 B8R1.7 O=C(O)C1CCCN1 Z104476886 [0,1,0,1,0,0|1,0,0]=3 807 B8R1.7 O=C(O)C1CCCO1 Z104486102 [0,1,0,1,0,0|1,0,0]=3 808 B8R1.7 O=C(O)C1CCCS1 Z1198330300 [0,1,0,1,0,0|1,0,0]=3 809 B8R1.7 O=C(O)C1CCNC1 Z1741969245 [0,1,0,1,0,0|1,0,0]=3 810 B8R1.7 O=C(O)C1CCNO1 Z3182027847 [0,1,0,1,0,0|2,0,0]=4 811 B8R1.7 O=C(O)C1CCOC1 Z381356480 [0,1,0,1,0,0|0,1,0]=3 812 B8R1.7 O=C(O)C1CCSC1 Z1187898499 [0,1,0,1,0,0|0,0,0]=2 813 B8R1.7 O=C(O)C1CSCN1 Z104495996 [0,1,0,1,0,0|0,0,0]=2 814 B8R1.7 O=C(O)C1NCCS1 Z1203162153 [0,1,0,1,0,0|2,0,0]=4 815 B8R1.7 O=C(O)C1OCCO1 Z1198167310 [0,1,0,1,0,0|2,0,0]=4 816 B8R1.7 O=C(O)C1SCCS1 Z1255500889 [0,1,0,1,0,0|2,0,0]=4 817 B8R1.7 O=C(O)[C@@H]1CCCN1 Z756429958 [0,1,0,1,0,0|1,0,0]=3 818 B8R1.7 O=C(O)[C@@H]1CSCN1 Z756440072 [0,1,0,1,0,0|0,0,0]=2 819 B8R1.7 O=C(O)[C@H]1CCCN1 Z933632584 [0,1,0,1,0,0|1,0,0]=3 820 B8R1.7 O=C(O)[C@H]1CSCN1 Z945807988 [0,1,0,1,0,0|0,0,0]=2 821 B8R1.35 CC(=O)CCC1CC1 Z1233207768 [0,1,0,1,0,0|2,0,0]=4 822 B8R1.35 NC(=O)CNC1CC1 Z104875198 [0,1,0,1,0,0|2,0,0]=4 823 B8R1.35 NC(=O)NCC1CC1 Z247615948 [0,1,0,1,0,0|2,0,0]=4 824 B8R1.35 O=C(O)C#CC1CC1 Z1198161308 [0,1,0,1,0,0|1,0,1]=4 825 B8R1.35 O=C(O)CNC1CC1 Z432066928 [0,1,0,1,0,0|1,0,0]=3 826 B8R1.23 CC(C)C1CC(=O)N1 Z1198168175 [0,1,0,1,0,0|2,0,0]=4 827 B8R1.23 CC1CC(C1)C(=O)O Z1198158393 [0,1,0,1,0,0|1,0,0]=3 828 B8R1.23 CN1CC(C1)C(=O)O Z1198330195 [0,1,0,1,0,0|1,0,0]=3 829 B8R1.23 NC(=O)C1CC(=O)C1 Z1486002682 [0,1,0,1,0,0|2,0,0]=4 830 B8R1.23 N[C@H]1C[C@H](C1)C(=O)O Z360056576 [0,1,0,1,0,0|1,0,0]=3 831 B8R1.23 O=C([O-])[C@H]1C[C@@H](C1)O Z4399321929 [0,1,0,1,0,0|1,0,1]=4 832 B8R1.23 O=C1CC(C1)C(=O)O Z235344247 [0,1,0,1,0,0|1,0,0]=3 833 B8R1.30 C[C@@H]1C[C@]1(N)C(=O)O Z4134701167 [0,1,0,1,0,0|1,0,0]=3 834 B8R1.54 CC(C(=O)O)C1CC1 Z792377292 [0,1,0,1,0,0|1,0,0]=3 835 B8R1.54 NC(=O)C(N)C1CC1 Z3183923231 [0,1,0,1,0,0|2,0,0]=4 836 B8R1.54 NC(=O)C(O)C1CC1 Z965049350 [0,1,0,1,0,0|2,0,0]=4 837 B8R1.54 NC(C(=O)O)C1CC1 Z1273089257 [0,1,0,1,0,0|1,0,0]=3 838 B8R1.54 O=C(O)C(O)C1CC1 Z802856440 [0,1,0,1,0,0|1,0,0]=3 839 B8R1.78 CC1(CCC1)C(=O)O Z1205493900 [0,1,0,1,0,0|1,0,0]=3 840 B8R1.78 CC1(CNC1)C(=O)N Z2378828635 [0,1,0,1,0,0|2,0,0]=4 841 B8R1.78 CC1(CNC1)C(=O)O Z3071128920 [0,1,0,1,0,0|1,0,0]=3 842 B8R1.78 CC1(COC1)C(=O)O Z1198234535 [0,1,0,1,0,0|0,1,0]=3 843 B8R1.78 NC(=O)C1(CCC1)N Z1483991927 [0,1,0,1,0,0|2,0,0]=4 844 B8R1.78 NC(=O)C1(CNC1)N Z1262579255 [0,1,0,1,0,0|2,0,0]=4 845 B8R1.78 NC(=O)C1(CNC1)O Z2680628867 [0,1,0,1,0,0|2,0,0]=4 846 B8R1.78 NC1(CCC1)C(=O)O Z1431905448 [0,1,0,1,0,0|1,0,0]=3 847 B8R1.78 NC1(CNC1)C(=O)O Z2867454580 [0,1,0,1,0,0|1,0,0]=3 848 B8R1.78 O=C(O)C1(CCC1)Br Z220564362 [0,1,0,1,0,0|1,0,0]=3 849 B8R1.78 O=C(O)C1(CCC1)O Z220564366 [0,1,0,1,0,0|1,0,0]=3 850 B8R1.78 O=C(O)C1(CNC1)O Z2630949328 [0,1,0,1,0,0|1,0,0]=3 851 B8R1.77 CC1(CC1C(=O)O)C Z979743336 [0,1,0,1,0,0|1,0,0]=3 852 B8R1.77 O=C(O)C1CC1(Br)Br Z600508418 [0,1,0,1,0,0|2,0,0]=4 853 B8R1.77 O=C(O)C1CC1(Cl)Cl Z56983732 [0,1,0,1,0,0|2,0,0]=4 854 B8R2.38 O=C1NC[C@H]2[C@@H]1C2 Z2871939424 [0,0,0,2,0,0|2,0,0]=4 855 B8R2.5 O=C1N[C@H]2[C@@H]1CC2 Z3977166567 [0,0,0,2,0,0|2,0,0]=4