0 B5R0.1 C#CCC(=O)O Z295890060 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.1 C=C(C)CCN Z1203582475 [0,0,0,0,0,0|2,0,0]=2 2 B5R0.1 CC(=CCN)C Z1827897919 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.1 CC(=O)CCO Z906206900 [0,0,0,0,0,0|1,0,1]=2 4 B5R0.1 CC(C)CCO Z104473558 [0,0,0,0,0,0|1,0,2]=3 5 B5R0.1 CC(N)CCO Z385458430 [0,0,0,0,0,0|1,0,2]=3 6 B5R0.1 CC(O)CCN Z802904114 [0,0,0,0,0,0|2,0,2]=4 7 B5R0.1 CC(O)CCO Z104473530 [0,0,0,0,0,0|1,0,2]=3 8 B5R0.1 CCCC(=N)N Z1198394172 [0,0,0,0,0,0|3,0,0]=3 9 B5R0.1 CCCC(=O)N Z33546461 [0,0,0,0,0,0|3,0,0]=3 10 B5R0.1 CCCC(=O)O Z104495380 [0,0,0,0,0,0|3,0,0]=3 11 B5R0.1 CCCC(C)N Z2417819590 [0,0,0,0,0,0|2,0,2]=4 12 B5R0.1 CCNC(=N)N Z2574931373 [0,0,0,0,0,0|4,0,0]=4 13 B5R0.1 CCOC(=N)N Z1741973543 [0,0,0,0,0,0|4,0,0]=4 14 B5R0.1 CCOC(=O)N Z33546369 [0,0,0,0,0,0|4,0,0]=4 15 B5R0.1 CCSC(=N)N Z1708092306 [0,0,0,0,0,0|4,0,0]=4 16 B5R0.1 CN(C)CCF Z5487577684 [0,0,0,0,0,0|3,0,1]=4 17 B5R0.1 CN(C)CCO Z104473552 [0,0,0,0,0,0|2,0,1]=3 18 B5R0.1 CN(C)CCS Z362025514 [0,0,0,0,0,0|2,1,1]=4 19 B5R0.1 CNCC(=O)N Z415678308 [0,0,0,0,0,0|4,0,0]=4 20 B5R0.1 CNCC(=O)O Z104480276 [0,0,0,0,0,0|4,0,0]=4 21 B5R0.1 COCC(=N)N Z1258620054 [0,0,0,0,0,0|4,0,0]=4 22 B5R0.1 COCC(=O)N Z33546778 [0,0,0,0,0,0|4,0,0]=4 23 B5R0.1 COCC(=O)O Z104477404 [0,0,0,0,0,0|4,0,0]=4 24 B5R0.1 CS(=O)CCN Z802568576 [0,0,0,0,0,0|3,0,1]=4 25 B5R0.1 CSCC(=N)N Z1459934800 [0,0,0,0,0,0|4,0,0]=4 26 B5R0.1 CSCC(=O)N Z33545668 [0,0,0,0,0,0|4,0,0]=4 27 B5R0.1 C[C@@H](N)CCO Z1526453858 [0,0,0,0,0,0|1,0,2]=3 28 B5R0.1 C[C@@H](O)CCN Z1860991703 [0,0,0,0,0,0|2,0,2]=4 29 B5R0.1 N#CCC(=N)N Z1198223505 [0,0,0,0,0,0|3,0,1]=4 30 B5R0.1 N#CCC(=O)N Z56896153 [0,0,0,0,0,0|3,0,1]=4 31 B5R0.1 N#CCC(=O)O Z104476112 [0,0,0,0,0,0|3,0,1]=4 32 B5R0.1 N#CCC(=S)N Z57046941 [0,0,0,0,0,0|3,0,1]=4 33 B5R0.1 N=C(N)CCO Z1198394167 [0,0,0,0,0,0|2,0,0]=2 34 B5R0.1 NC(=O)CCO Z431951940 [0,0,0,0,0,0|2,0,0]=2 35 B5R0.1 NCC=C(Cl)Cl Z2469606492 [0,0,0,0,0,0|2,1,1]=4 36 B5R0.1 NCC=C(F)F Z4511316967 [0,0,0,0,0,0|2,1,1]=4 37 B5R0.1 NCCC(=O)N Z415728050 [0,0,0,0,0,0|3,0,0]=3 38 B5R0.1 NCCC(=O)O Z57127544 [0,0,0,0,0,0|3,0,0]=3 39 B5R0.1 NOCC(=O)O Z90662171 [0,0,0,0,0,0|4,0,0]=4 40 B5R0.1 O=C(O)CCCl Z203045320 [0,0,0,0,0,0|3,0,0]=3 41 B5R0.1 O=C(O)CCS Z104474322 [0,0,0,0,0,0|2,1,0]=3 42 B5R0.1 O=C(O)CNO Z1205493750 [0,0,0,0,0,0|3,0,0]=3 43 B4R0.1 C=C(Br)CN Z600439032 [1,0,0,0,0,0|1,0,0]=2 44 B4R0.1 C=C(Br)CO Z600440434 [1,0,0,0,0,0|0,0,0]=1 45 B4R0.1 C=CC(=C)C Z104474660 [1,0,0,0,0,0|1,0,2]=4 46 B4R0.1 CC(=O)CN Z1262398366 [1,0,0,0,0,0|2,0,1]=4 47 B4R0.1 CC(=O)NO Z59181917 [1,0,0,0,0,0|2,0,1]=4 48 B4R0.1 CC(O)CO Z106938868 [1,0,0,0,0,0|1,0,2]=4 49 B4R0.1 CCC(=N)N Z1741969146 [1,0,0,0,0,0|2,0,0]=3 50 B4R0.1 CCC(=O)N Z33546482 [1,0,0,0,0,0|2,0,0]=3 51 B4R0.1 CCC(=O)O Z104474154 [1,0,0,0,0,0|2,0,0]=3 52 B4R0.1 CCC(=S)N Z241091446 [1,0,0,0,0,0|2,0,0]=3 53 B4R0.1 CCC(C)N Z104472234 [1,0,0,0,0,0|1,0,2]=4 54 B4R0.1 CC[C@@H](C)O Z1203162396 [1,0,0,0,0,0|1,0,2]=4 55 B4R0.1 CNC(=N)C Z2146515751 [1,0,0,0,0,0|2,0,1]=4 56 B4R0.1 CNC(=O)C Z32016274 [1,0,0,0,0,0|2,0,1]=4 57 B4R0.1 CNC(=O)N Z56932989 [1,0,0,0,0,0|3,0,0]=4 58 B4R0.1 COC(=N)N Z1741976783 [1,0,0,0,0,0|3,0,0]=4 59 B4R0.1 COC(=O)N Z104476722 [1,0,0,0,0,0|3,0,0]=4 60 B4R0.1 CSC(=N)N Z1741980405 [1,0,0,0,0,0|3,0,0]=4 61 B4R0.1 C[C@@H](N)CO Z346076140 [1,0,0,0,0,0|1,0,2]=4 62 B4R0.1 C[C@@H](O)CO Z1255486379 [1,0,0,0,0,0|1,0,2]=4 63 B4R0.1 C[C@H](O)CO Z1255449993 [1,0,0,0,0,0|1,0,2]=4 64 B4R0.1 N=C(N)CCl Z204878288 [1,0,0,0,0,0|3,0,0]=4 65 B4R0.1 N=C(N)CN Z3798800325 [1,0,0,0,0,0|3,0,0]=4 66 B4R0.1 N=C(N)CO Z1259341033 [1,0,0,0,0,0|2,0,0]=3 67 B4R0.1 NC(=O)CF Z104475768 [1,0,0,0,0,0|3,0,0]=4 68 B4R0.1 NC(=O)CI Z1080376832 [1,0,0,0,0,0|3,0,0]=4 69 B4R0.1 NC(=O)CO Z424788508 [1,0,0,0,0,0|2,0,0]=3 70 B4R0.1 NC(=O)NO Z1203577934 [1,0,0,0,0,0|3,0,0]=4 71 B4R0.1 NCC(=O)N Z1262254285 [1,0,0,0,0,0|3,0,0]=4 72 B4R0.1 NCC(=O)O Z955123660 [1,0,0,0,0,0|3,0,0]=4 73 B4R0.1 O=C(O)CBr Z104473018 [1,0,0,0,0,0|3,0,0]=4 74 B4R0.1 O=C(O)CO Z104473274 [1,0,0,0,0,0|2,0,0]=3 75 B4R0.1 OCC(F)F Z397587054 [1,0,0,0,0,0|1,1,1]=4 76 B4R0.2 C#CCCN Z1267881669 [1,0,0,0,0,0|1,0,2]=4 77 B4R0.2 C=NCC#N Z425450894 [1,0,0,0,0,0|2,0,1]=4 78 B4R0.2 CCCC#N Z238878246 [1,0,0,0,0,0|2,0,1]=4 79 B4R0.2 CCCCN Z104474314 [1,0,0,0,0,0|1,0,2]=4 80 B4R0.2 CCCCO Z104473488 [1,0,0,0,0,0|0,0,2]=3 81 B4R0.2 CCCNN Z415728048 [1,0,0,0,0,0|3,0,0]=4 82 B4R0.2 COCCO Z104473522 [1,0,0,0,0,0|1,0,1]=3 83 B4R0.2 CSCCO Z149154880 [1,0,0,0,0,0|1,0,1]=3 84 B4R0.2 N#CCCN Z1895741700 [1,0,0,0,0,0|2,0,1]=4 85 B4R0.2 NC/C=C/Cl Z2941400887 [1,0,0,0,0,0|1,1,1]=4 86 B4R0.2 NCC#CBr Z4442967693 [1,0,0,0,0,0|1,0,2]=4 87 B4R0.2 NCCCN Z104478068 [1,0,0,0,0,0|2,0,1]=4 88 B4R0.2 NCCCO Z56771034 [1,0,0,0,0,0|1,0,1]=3 89 B6R0.1 CC(CN)CCO Z1203581915 [0,1,0,0,0,0|1,0,2]=4 90 B6R0.1 CCC(N)CCO Z1258578227 [0,1,0,0,0,0|1,0,2]=4 91 B6R0.1 CCC(O)CCO Z1198157972 [0,1,0,0,0,0|1,0,2]=4 92 B6R0.1 CCCC(=O)CN Z1203579017 [0,1,0,0,0,0|2,0,1]=4 93 B6R0.1 CCCC(=O)NO Z59181937 [0,1,0,0,0,0|3,0,0]=4 94 B6R0.1 CNC(=O)CCCl Z239813512 [0,1,0,0,0,0|2,0,1]=4 95 B6R0.1 CNC(=O)CCN Z425449754 [0,1,0,0,0,0|2,0,1]=4 96 B6R0.1 CNC(=O)CCO Z975909370 [0,1,0,0,0,0|1,0,1]=3 97 B6R0.1 CNC(C)CCO Z1198266877 [0,1,0,0,0,0|1,0,2]=4 98 B6R0.1 CSC(C)CCO Z1262258908 [0,1,0,0,0,0|1,0,2]=4 99 B6R0.2 C=C(C)CC(=O)O Z295890066 [0,1,0,0,0,0|1,0,1]=3 100 B6R0.2 CC(=O)CC(C)N Z57329385 [0,1,0,0,0,0|2,0,1]=4 101 B6R0.2 CC(C)CC(=N)N Z1346385639 [0,1,0,0,0,0|3,0,0]=4 102 B6R0.2 CC(C)CC(=O)N Z33546511 [0,1,0,0,0,0|3,0,0]=4 103 B6R0.2 CC(C)CC(=O)O Z104474910 [0,1,0,0,0,0|3,0,0]=4 104 B6R0.2 CC(N)CC(=O)N Z594220690 [0,1,0,0,0,0|3,0,0]=4 105 B6R0.2 CC(N)CC(=O)O Z147647144 [0,1,0,0,0,0|3,0,0]=4 106 B6R0.2 C[C@H](N)CC(=O)O Z1741969208 [0,1,0,0,0,0|3,0,0]=4 107 B6R0.2 NC(=O)CC(=O)O Z963467736 [0,1,0,0,0,0|2,0,1]=4 108 B6R0.2 O=C(O)C=C(Br)Br Z1416198234 [0,1,0,0,0,0|1,0,2]=4 109 B6R0.2 O=C(O)CC(=O)O Z57965450 [0,1,0,0,0,0|2,0,1]=4 110 B6R0.3 CC(C)[C@H](N)CO Z1741982893 [0,1,0,0,0,0|1,0,2]=4 111 B6R0.3 CC(CN)C(=O)O Z431542704 [0,1,0,0,0,0|3,0,0]=4 112 B6R0.3 CC(CO)C(=O)O Z431541400 [0,1,0,0,0,0|2,0,0]=3 113 B6R0.3 CC(N)C(C)CO Z1203581847 [0,1,0,0,0,0|1,0,2]=4 114 B6R0.3 CCC(C)C(=N)N Z823287482 [0,1,0,0,0,0|3,0,0]=4 115 B6R0.3 CCC(C)C(=O)N Z270978420 [0,1,0,0,0,0|3,0,0]=4 116 B6R0.3 CCC(C)C(=O)O Z237374874 [0,1,0,0,0,0|3,0,0]=4 117 B6R0.3 CCC(N)C(=O)O Z104495144 [0,1,0,0,0,0|3,0,0]=4 118 B6R0.3 CCC(O)C(=O)N Z965049008 [0,1,0,0,0,0|3,0,0]=4 119 B6R0.3 CCC(O)C(=O)O Z246073650 [0,1,0,0,0,0|3,0,0]=4 120 B6R0.3 CC[C@@H](N)C(=O)O Z904976986 [0,1,0,0,0,0|3,0,0]=4 121 B6R0.3 CC[C@H](C)C(=O)O Z1205493564 [0,1,0,0,0,0|3,0,0]=4 122 B6R0.3 CC[C@H](N)C(=O)O Z1741965569 [0,1,0,0,0,0|3,0,0]=4 123 B6R0.3 NC(CO)C(=O)O Z57396986 [0,1,0,0,0,0|2,0,0]=3 124 B6R0.3 NC(CS)C(=O)O Z966690626 [0,1,0,0,0,0|2,1,0]=4 125 B6R0.3 NCC(N)C(=O)O Z2465863279 [0,1,0,0,0,0|3,0,0]=4 126 B6R0.3 NCC(O)C(=O)N Z1889902538 [0,1,0,0,0,0|3,0,0]=4 127 B6R0.3 NC[C@@H](F)C(=O)O Z2695741427 [0,1,0,0,0,0|3,0,0]=4 128 B6R0.3 N[C@@H](CO)C(=O)O Z756440058 [0,1,0,0,0,0|2,0,0]=3 129 B6R0.3 N[C@@H](CS)C(=O)O Z760035162 [0,1,0,0,0,0|2,1,0]=4 130 B6R0.3 N[C@H](CO)C(=O)O Z1070067572 [0,1,0,0,0,0|2,0,0]=3 131 B6R0.4 C#CCCC(=O)O Z295890062 [0,1,0,0,0,0|3,0,0]=4 132 B6R0.4 C=CCCC(=O)C Z406376894 [0,1,0,0,0,0|2,0,1]=4 133 B6R0.4 C=CCCC(=O)O Z995028722 [0,1,0,0,0,0|3,0,0]=4 134 B6R0.4 CC(=O)CCC#N Z1251352415 [0,1,0,0,0,0|2,0,1]=4 135 B6R0.4 CC(=O)NCCCl Z57983106 [0,1,0,0,0,0|2,0,1]=4 136 B6R0.4 CC(=O)OCCN Z1973465551 [0,1,0,0,0,0|2,0,1]=4 137 B6R0.4 CC(C)NCCO Z137800940 [0,1,0,0,0,0|1,0,2]=4 138 B6R0.4 CC(C)OCCO Z104478444 [0,1,0,0,0,0|1,0,2]=4 139 B6R0.4 CC(N)CCCO Z1203578676 [0,1,0,0,0,0|1,0,2]=4 140 B6R0.4 CCCCC(=N)N Z1723418909 [0,1,0,0,0,0|3,0,0]=4 141 B6R0.4 CCCCC(=O)N Z104476278 [0,1,0,0,0,0|3,0,0]=4 142 B6R0.4 CCCCC(=O)O Z104473312 [0,1,0,0,0,0|3,0,0]=4 143 B6R0.4 CCCNC(=O)C Z33030314 [0,1,0,0,0,0|2,0,1]=4 144 B6R0.4 CCCNC(=S)N Z56930715 [0,1,0,0,0,0|3,0,0]=4 145 B6R0.4 CCCOC(=O)N Z1198148877 [0,1,0,0,0,0|3,0,0]=4 146 B6R0.4 CCNCC(=O)N Z1459435506 [0,1,0,0,0,0|3,0,0]=4 147 B6R0.4 CCNCC(=O)O Z744593094 [0,1,0,0,0,0|3,0,0]=4 148 B6R0.4 CCOCC(=O)O Z104495232 [0,1,0,0,0,0|3,0,0]=4 149 B6R0.4 CNCCC(=O)C Z1536943318 [0,1,0,0,0,0|2,0,1]=4 150 B6R0.4 COCCC(=N)N Z1592042674 [0,1,0,0,0,0|2,0,0]=3 151 B6R0.4 COCCC(=O)C Z362119682 [0,1,0,0,0,0|1,0,1]=3 152 B6R0.4 COCCC(=O)N Z394696458 [0,1,0,0,0,0|2,0,0]=3 153 B6R0.4 COCCC(=O)O Z285184634 [0,1,0,0,0,0|2,0,0]=3 154 B6R0.4 COCCC(C)N Z361881180 [0,1,0,0,0,0|1,0,2]=4 155 B6R0.4 COCCC(C)O Z818738042 [0,1,0,0,0,0|1,0,2]=4 156 B6R0.4 COCCN(C)C Z5121096537 [0,1,0,0,0,0|2,0,1]=4 157 B6R0.4 CSCCC(=N)N Z1266823407 [0,1,0,0,0,0|2,1,0]=4 158 B6R0.4 CSCCC(=O)O Z54719251 [0,1,0,0,0,0|2,1,0]=4 159 B6R0.4 N#CCCC(=N)N Z3771050569 [0,1,0,0,0,0|3,0,0]=4 160 B6R0.4 N#CCCC(=O)N Z57160408 [0,1,0,0,0,0|3,0,0]=4 161 B6R0.4 N=C(N)NCCN Z2235813444 [0,1,0,0,0,0|3,0,0]=4 162 B6R0.4 N=C(N)NCCO Z911465228 [0,1,0,0,0,0|2,0,0]=3 163 B6R0.4 N=C(N)SCCO Z57111959 [0,1,0,0,0,0|2,0,0]=3 164 B6R0.4 NC(=O)CCCO Z1203578394 [0,1,0,0,0,0|2,0,0]=3 165 B6R0.4 NC(=O)NCCF Z1203582184 [0,1,0,0,0,0|3,0,0]=4 166 B6R0.4 NC(=O)OCCO Z1198158440 [0,1,0,0,0,0|2,0,0]=3 167 B6R0.4 NCCCC(=O)N Z398513418 [0,1,0,0,0,0|3,0,0]=4 168 B6R0.4 NCCCC(=O)O Z104475620 [0,1,0,0,0,0|3,0,0]=4 169 B6R0.4 NCCNC(=O)N Z1268152381 [0,1,0,0,0,0|3,0,0]=4 170 B6R0.4 NCCOC(=O)N Z1587257433 [0,1,0,0,0,0|3,0,0]=4 171 B6R0.4 O=C(O)/C=C/CO Z3178016098 [0,1,0,0,0,0|2,0,1]=4 172 B6R0.4 O=C(O)C#CCO Z1198169479 [0,1,0,0,0,0|2,0,1]=4 173 B6R0.4 O=C(O)CCCS Z147642510 [0,1,0,0,0,0|2,1,0]=4 174 B6R0.5 CC(C)(N)CCO Z1198183553 [0,1,0,0,0,0|1,0,2]=4 175 B6R0.5 C[N+](C)(C)CCO Z2758800560 [0,1,0,0,0,0|2,0,1]=4 176 B6R0.5 NS(=O)(=O)CCO Z1267897807 [0,1,0,0,0,0|3,0,0]=4 177 B6R1.2 BrC1=CNC=N1 Z1213725191 [0,0,0,1,0,0|2,0,1]=4 178 B6R1.2 C=C1CCNC1 Z3019986853 [0,0,0,1,0,0|2,0,0]=3 179 B6R1.2 C=C1CNOC1 Z3037884222 [0,0,0,1,0,0|2,0,0]=3 180 B6R1.2 CC1=CCNC1 Z1203734447 [0,0,0,1,0,0|3,0,0]=4 181 B6R1.2 CC1=COC=N1 Z1198313432 [0,0,0,1,0,0|2,0,1]=4 182 B6R1.2 N=C1CCCN1 Z204007506 [0,0,0,1,0,0|3,0,0]=4 183 B6R1.2 NC1=NNCC1 Z1569708704 [0,0,0,1,0,0|3,0,0]=4 184 B6R1.2 NC1C=CCC1 Z2679312470 [0,0,0,1,0,0|2,0,1]=4 185 B6R1.2 NC1CCOC1 Z802544198 [0,0,0,1,0,0|1,0,2]=4 186 B6R1.2 N[C@@H]1C=CCC1 Z1203585093 [0,0,0,1,0,0|2,0,1]=4 187 B6R1.2 O=C1C=CCO1 Z1219048777 [0,0,0,1,0,0|3,0,0]=4 188 B6R1.2 O=C1CCCN1 Z104472846 [0,0,0,1,0,0|3,0,0]=4 189 B6R1.2 O=C1CCNC1 Z1741976513 [0,0,0,1,0,0|2,0,1]=4 190 B6R1.2 O=C1CCNN1 Z2935001239 [0,0,0,1,0,0|3,0,0]=4 191 B6R1.2 O=C1CCSC1 Z104495638 [0,0,0,1,0,0|1,1,1]=4 192 B6R1.2 OC1C=CCC1 Z1255485846 [0,0,0,1,0,0|2,0,1]=4 193 B6R1.2 OC1CCOC1 Z1124541349 [0,0,0,1,0,0|1,0,2]=4 194 B6R1.3 OCCC1CC1 Z826525694 [0,0,0,1,0,0|1,0,2]=4 195 B6R1.5 N[C@H]1C[C@H](C1)O Z1416282421 [0,0,0,1,0,0|1,0,2]=4 196 B6R1.5 O[C@H]1C[C@H](C1)O Z2065357735 [0,0,0,1,0,0|1,0,2]=4 197 B6R1.8 C=C1CC1CN Z3454021936 [0,0,0,1,0,0|2,0,0]=3 198 B6R1.8 CC1CC1CO Z397587430 [0,0,0,1,0,0|1,0,2]=4 199 B6R1.11 C=C(Cl)C1CO1 Z2574917304 [0,0,0,1,0,0|0,1,0]=2 200 B6R1.11 CC(C)C1CO1 Z1020679856 [0,0,0,1,0,0|1,0,2]=4 201 B6R1.11 N=C(N)C1CC1 Z935140732 [0,0,0,1,0,0|3,0,0]=4 202 B3R0.1 C=CCO Z104473976 [2,0,0,0,0,0|0,0,0]=2 203 B3R0.1 N/C=N/O Z156964716 [2,0,0,0,0,0|2,0,0]=4 204 B3R0.1 NCCF Z1966571823 [2,0,0,0,0,0|1,1,0]=4 205 B3R0.1 NCCN Z104473714 [2,0,0,0,0,0|2,0,0]=4 206 B3R0.1 NCCO Z104473700 [2,0,0,0,0,0|1,0,0]=3 207 B3R0.1 NCCS Z104474494 [2,0,0,0,0,0|1,1,0]=4 208 B3R0.1 OCCS Z104473584 [2,0,0,0,0,0|1,0,0]=3 209 B3R0.2 CC(=O)N Z33546370 [2,0,0,0,0,0|2,0,0]=4 210 B3R0.2 CC(=O)O Z1954803614 [2,0,0,0,0,0|1,0,1]=4 211 B3R0.2 CC(=O)[S-] Z1142554016 [2,0,0,0,0,0|2,0,0]=4 212 B5R0.3 C=C(CC)CN Z2238934536 [1,1,0,0,0,0|1,0,0]=3 213 B5R0.3 C=CC(N)CO Z2146514374 [1,1,0,0,0,0|1,0,1]=4 214 B5R0.3 CC/C(=N/O)/N Z241067842 [1,1,0,0,0,0|2,0,0]=4 215 B5R0.3 CCC(=O)CC Z104476878 [1,1,0,0,0,0|1,0,1]=4 216 B5R0.3 CCC(=O)CN Z1203579016 [1,1,0,0,0,0|1,0,1]=4 217 B5R0.3 CCC(=O)NN Z56886418 [1,1,0,0,0,0|2,0,0]=4 218 B5R0.3 CCN(C)C=O Z1258520870 [1,1,0,0,0,0|2,0,0]=4 219 B5R0.3 CNC(=O)CO Z431952700 [1,1,0,0,0,0|1,0,1]=4 220 B5R0.3 O=C(CO)CO Z1255442144 [1,1,0,0,0,0|1,0,1]=4 221 B5R0.3 OC/C(=C/I)/I Z4691071538 [1,1,0,0,0,0|0,1,0]=3 222 B5R0.4 OCC(Br)(Br)Br Z1269188950 [1,1,0,0,0,0|1,0,1]=4 223 B5R0.5 C=C(Cl)C(=O)O Z1201617183 [1,1,0,0,0,0|0,1,1]=4 224 B5R0.5 CC(=O)C(C)N Z1263529525 [1,1,0,0,0,0|1,0,1]=4 225 B5R0.5 CC(Br)C(=O)O Z57127555 [1,1,0,0,0,0|2,0,0]=4 226 B5R0.5 CC(C)C(=N)N Z381357616 [1,1,0,0,0,0|2,0,0]=4 227 B5R0.5 CC(C)C(=O)N Z57046209 [1,1,0,0,0,0|2,0,0]=4 228 B5R0.5 CC(C)C(=O)O Z104473380 [1,1,0,0,0,0|2,0,0]=4 229 B5R0.5 CC(Cl)C(=O)N Z56924427 [1,1,0,0,0,0|2,0,0]=4 230 B5R0.5 CC(Cl)C(=O)O Z147646840 [1,1,0,0,0,0|2,0,0]=4 231 B5R0.5 CC(N)C(=O)N Z54749436 [1,1,0,0,0,0|2,0,0]=4 232 B5R0.5 CC(N)C(=O)O Z57396987 [1,1,0,0,0,0|2,0,0]=4 233 B5R0.5 CC(O)C(=N)N Z2216711526 [1,1,0,0,0,0|2,0,0]=4 234 B5R0.5 CC(O)C(=O)N Z57206008 [1,1,0,0,0,0|2,0,0]=4 235 B5R0.5 CC(S)C(=O)O Z104477082 [1,1,0,0,0,0|2,0,0]=4 236 B5R0.5 C[C@@H](N)C(=O)O Z802692914 [1,1,0,0,0,0|2,0,0]=4 237 B5R0.5 C[C@H](N)C(=O)N Z359371050 [1,1,0,0,0,0|2,0,0]=4 238 B5R0.5 C[C@H](N)C(=O)O Z756424912 [1,1,0,0,0,0|2,0,0]=4 239 B5R0.2 C/C=C/CCN Z1268152372 [1,1,0,0,0,0|1,0,0]=3 240 B5R0.2 C/C=C/OCC Z281777810 [1,1,0,0,0,0|2,0,0]=4 241 B5R0.2 C=C/C=C/CN Z3270208113 [1,1,0,0,0,0|1,0,1]=4 242 B5R0.2 C=CCCC#N Z1219746591 [1,1,0,0,0,0|1,0,0]=3 243 B5R0.2 C=CCCCN Z993058434 [1,1,0,0,0,0|1,0,0]=3 244 B5R0.2 C=CCN=C=S Z104472178 [1,1,0,0,0,0|0,1,1]=4 245 B5R0.2 C=CCNCC Z2044769224 [1,1,0,0,0,0|1,0,0]=3 246 B5R0.2 CC#CCCO Z1033337288 [1,1,0,0,0,0|0,0,2]=4 247 B5R0.2 CCCCC=O Z104472992 [1,1,0,0,0,0|1,0,1]=4 248 B5R0.2 CCNCCO Z1258992395 [1,1,0,0,0,0|0,0,2]=4 249 B5R0.2 CCOCCO Z104473122 [1,1,0,0,0,0|0,0,2]=4 250 B5R0.2 CNCCCO Z104756980 [1,1,0,0,0,0|0,0,2]=4 251 B5R0.2 CNCCOC Z1259162131 [1,1,0,0,0,0|1,0,1]=4 252 B5R0.2 COCCC#N Z277467992 [1,1,0,0,0,0|1,0,1]=4 253 B5R0.2 COCCCO Z431517702 [1,1,0,0,0,0|0,0,2]=4 254 B5R0.2 COCCOC Z104473014 [1,1,0,0,0,0|1,0,1]=4 255 B5R0.2 N#CCCCO Z385458622 [1,1,0,0,0,0|0,0,2]=4 256 B5R0.2 NCCC#CBr Z4777809731 [1,1,0,0,0,0|1,0,1]=4 257 B5R0.2 OC/C=C/CO Z237581088 [1,1,0,0,0,0|0,0,2]=4 258 B7R0.2 COC(C)CC(=O)O Z431536426 [0,2,0,0,0,0|2,0,0]=4 259 B7R0.2 NCC(O)CC(=O)O Z1255390571 [0,2,0,0,0,0|2,0,0]=4 260 B7R0.2 NC[C@@H](O)CC(=O)O Z1203578293 [0,2,0,0,0,0|2,0,0]=4 261 B7R0.2 NC[C@H](O)CC(=O)O Z1198160294 [0,2,0,0,0,0|2,0,0]=4 262 B7R0.3 CNC(=N)CCOC Z2739543518 [0,2,0,0,0,0|1,0,1]=4 263 B7R0.3 CNC(=O)NCCO Z177090556 [0,2,0,0,0,0|1,0,1]=4 264 B7R0.3 CNC(=O)OCCO Z1198150357 [0,2,0,0,0,0|1,0,1]=4 265 B7R0.3 NCC(=O)NCCO Z401366912 [0,2,0,0,0,0|1,0,1]=4 266 B7R0.3 O=C(CO)NCCO Z1203732626 [0,2,0,0,0,0|1,0,1]=4 267 B7R0.5 CN(C)C(=O)CCO Z635883438 [0,2,0,0,0,0|1,0,1]=4 268 B7R0.5 COCC(C)C(=O)O Z431541094 [0,2,0,0,0,0|2,0,0]=4 269 B7R0.5 COCC(N)C(=O)O Z1613478163 [0,2,0,0,0,0|2,0,0]=4 270 B7R0.5 NC(CCO)C(=O)O Z234896487 [0,2,0,0,0,0|1,0,1]=4 271 B7R0.5 N[C@@H](CCO)C(=O)O Z1172369006 [0,2,0,0,0,0|1,0,1]=4 272 B7R0.5 N[C@H](CCO)C(=O)O Z608345098 [0,2,0,0,0,0|1,0,1]=4 273 B7R0.7 CCNC(=O)CCO Z975909368 [0,2,0,0,0,0|1,0,1]=4 274 B7R0.10 CNC(=O)C(N)CO Z1203584884 [0,2,0,0,0,0|1,0,1]=4 275 B7R0.10 COC(=O)C(N)CO Z104479480 [0,2,0,0,0,0|1,0,1]=4 276 B7R0.9 CC(C)(O)CC(=N)N Z3804955217 [0,2,0,0,0,0|2,0,0]=4 277 B7R0.9 CC(C)(O)CC(=O)O Z982131798 [0,2,0,0,0,0|2,0,0]=4 278 B7R0.16 CC(O)C(C)C(=O)O Z982137146 [0,2,0,0,0,0|2,0,0]=4 279 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O Z1201618669 [0,2,0,0,0,0|2,0,0]=4 280 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Z813019058 [0,2,0,0,0,0|2,0,0]=4 281 B7R0.16 C[C@H](O)[C@H](N)C(=O)O Z1162448524 [0,2,0,0,0,0|2,0,0]=4 282 B7R0.13 CC(=O)C(C)(C)CO Z1216812592 [0,2,0,0,0,0|1,0,1]=4 283 B7R0.13 CC(C)(CO)C(=O)O Z997726628 [0,2,0,0,0,0|2,0,0]=4 284 B7R0.13 CC(N)(CO)C(=O)O Z1509051726 [0,2,0,0,0,0|2,0,0]=4 285 B7R0.13 CC(O)(CO)C(=O)O Z1205493767 [0,2,0,0,0,0|2,0,0]=4 286 B7R0.15 CCC(CO)C(=O)[O-] Z2442085377 [0,2,0,0,0,0|2,0,0]=4 287 B7R0.4 CC(=O)NCCCO Z353570744 [0,2,0,0,0,0|1,0,1]=4 288 B7R0.4 CCOCCC(=O)O Z316258938 [0,2,0,0,0,0|2,0,0]=4 289 B7R0.4 COCCCC(=N)N Z1267882086 [0,2,0,0,0,0|2,0,0]=4 290 B7R0.4 COCCCC(=O)C Z406376722 [0,2,0,0,0,0|1,0,1]=4 291 B7R0.4 COCCCC(=O)O Z316258912 [0,2,0,0,0,0|2,0,0]=4 292 B7R0.4 COCCNC(=O)N Z56904572 [0,2,0,0,0,0|2,0,0]=4 293 B7R0.4 COCOCC(=N)N Z1723549321 [0,2,0,0,0,0|2,0,0]=4 294 B7R0.4 NC(=O)COCCO Z1198148880 [0,2,0,0,0,0|2,0,0]=4 295 B7R0.4 NC(=O)NCCCO Z198194722 [0,2,0,0,0,0|2,0,0]=4 296 B7R0.4 O=C(O)CNCCO Z425411352 [0,2,0,0,0,0|2,0,0]=4 297 B7R0.4 O=C([O-])CCCCO Z2335631573 [0,2,0,0,0,0|2,0,0]=4 298 B7R0.4 O=C([O-])COCCO Z1744715804 [0,2,0,0,0,0|2,0,0]=4 299 B7R0.6 CC(=O)CCC(=O)O Z104477318 [0,2,0,0,0,0|1,0,1]=4 300 B7R0.6 CC(=O)NCC(C)O Z353603952 [0,2,0,0,0,0|1,0,1]=4 301 B7R0.6 CC(O)CCC(=O)O Z838959470 [0,2,0,0,0,0|2,0,0]=4 302 B7R0.6 O=C(O)CCC(=O)O Z57127453 [0,2,0,0,0,0|2,0,0]=4 303 B5R1.2 O=C1CCO1 Z1089877620 [1,0,0,1,0,0|2,0,0]=4 304 B5R1.1 C1=CCNC1 Z2306624771 [1,0,0,1,0,0|2,0,0]=4 305 B7R1.1 NCC1=NOCC1 Z3217343112 [0,1,0,1,0,0|1,0,1]=4 306 B7R1.1 O=CC1=CCCC1 Z1190318866 [0,1,0,1,0,0|2,0,0]=4 307 B7R1.1 O=CC1CCOC1 Z199056102 [0,1,0,1,0,0|1,0,1]=4 308 B7R1.2 NC1=CC(=O)CC1 Z1124125496 [0,1,0,1,0,0|1,0,1]=4 309 B7R1.2 O=C1CC(CN1)O Z1198157723 [0,1,0,1,0,0|1,0,1]=4 310 B7R1.3 C=C1CCNCC1 Z1124146875 [0,1,0,1,0,0|2,0,0]=4 311 B7R1.3 CC1=CCCNC1 Z2143573194 [0,1,0,1,0,0|2,0,0]=4 312 B7R1.3 FC1=CCCNC1 Z1570657372 [0,1,0,1,0,0|1,1,0]=4 313 B7R1.3 O=C1C=CCCC1 Z295197140 [0,1,0,1,0,0|2,0,0]=4 314 B7R1.3 O=C1C=CCCO1 Z1255402681 [0,1,0,1,0,0|2,0,0]=4 315 B7R1.4 C=C1CCOC1=O Z1255438435 [0,1,0,1,0,0|1,0,0]=3 316 B7R1.4 C=C1COCC1N Z3066568668 [0,1,0,1,0,0|1,0,0]=3 317 B7R1.4 NC1CCOC1=O Z56921763 [0,1,0,1,0,0|1,0,1]=4 318 B7R1.4 NC1CONC1=O Z336087816 [0,1,0,1,0,0|2,0,0]=4 319 B7R1.4 NN1CCOC1=O Z1198147716 [0,1,0,1,0,0|2,0,0]=4 320 B7R1.4 N[C@@H]1CONC1=O Z1198154206 [0,1,0,1,0,0|2,0,0]=4 321 B7R1.4 N[C@H]1CONC1=O Z1201618622 [0,1,0,1,0,0|2,0,0]=4 322 B7R1.10 C=C1CC(C1)C=O Z1486007751 [0,1,0,1,0,0|1,0,1]=4 323 B7R1.10 C=C1CC(C1)CN Z3018667936 [0,1,0,1,0,0|2,0,0]=4 324 B7R1.10 C=C1CC(C1)NC Z3417039111 [0,1,0,1,0,0|2,0,0]=4 325 B7R1.16 C=C1CC(C1)(C)N Z5611324020 [0,1,0,1,0,0|2,0,0]=4 326 B7R1.19 CC(=O)C1(CO1)C Z1201620091 [0,1,0,1,0,0|1,0,1]=4