0 B5R0.1 C#CCC(=O)O Z295890060 [0,0,0,0,0,0|2,0,0]=2 1 B5R0.1 C#CCC(C)O Z969111576 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.1 C/C=C/C(=O)O Z104476026 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.1 C=C(C)CCN Z1203582475 [0,0,0,0,0,0|3,0,0]=3 4 B5R0.1 CC#CC(=O)N Z1203579284 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.1 CC(=CCN)C Z1827897919 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.1 CC(=O)CCO Z906206900 [0,0,0,0,0,0|3,0,0]=3 7 B5R0.1 CC(O)CC#N Z847151284 [0,0,0,0,0,0|2,0,2]=4 8 B5R0.1 CC(O)CCN Z802904114 [0,0,0,0,0,0|2,0,1]=3 9 B5R0.1 CC(O)CCO Z104473530 [0,0,0,0,0,0|3,0,1]=4 10 B5R0.1 CCCC(=N)N Z1198394172 [0,0,0,0,0,0|4,0,0]=4 11 B5R0.1 CCCC(=O)N Z33546461 [0,0,0,0,0,0|3,0,0]=3 12 B5R0.1 CCCC(=O)O Z104495380 [0,0,0,0,0,0|2,0,0]=2 13 B5R0.1 CCOC(=O)N Z33546369 [0,0,0,0,0,0|4,0,0]=4 14 B5R0.1 CNCC(=O)N Z415678308 [0,0,0,0,0,0|3,0,0]=3 15 B5R0.1 CNCC(=O)O Z104480276 [0,0,0,0,0,0|2,0,0]=2 16 B5R0.1 CNCC(C)O Z138692700 [0,0,0,0,0,0|3,0,1]=4 17 B5R0.1 COCC(=N)N Z1258620054 [0,0,0,0,0,0|3,0,0]=3 18 B5R0.1 COCC(=O)N Z33546778 [0,0,0,0,0,0|2,0,0]=2 19 B5R0.1 COCC(=O)O Z104477404 [0,0,0,0,0,0|1,0,0]=1 20 B5R0.1 COCC(C)O Z825742124 [0,0,0,0,0,0|2,0,1]=3 21 B5R0.1 COC[C@@H](C)N Z1270482298 [0,0,0,0,0,0|3,0,1]=4 22 B5R0.1 COC[C@H](C)N Z1270502316 [0,0,0,0,0,0|3,0,1]=4 23 B5R0.1 CS(=O)CC#N Z1198176972 [0,0,0,0,0,0|3,0,1]=4 24 B5R0.1 CS(=O)CCN Z802568576 [0,0,0,0,0,0|3,0,0]=3 25 B5R0.1 CSCC(=N)N Z1459934800 [0,0,0,0,0,0|3,1,0]=4 26 B5R0.1 CSCC(=O)N Z33545668 [0,0,0,0,0,0|2,1,0]=3 27 B5R0.1 CSCC(C)O Z732208306 [0,0,0,0,0,0|2,1,1]=4 28 B5R0.1 CSCS(=O)C Z1255438413 [0,0,0,0,0,0|3,1,0]=4 29 B5R0.1 C[C@@H](O)CCN Z1860991703 [0,0,0,0,0,0|2,0,1]=3 30 B5R0.1 N#CCC(=N)N Z1198223505 [0,0,0,0,0,0|3,0,1]=4 31 B5R0.1 N#CCC(=O)N Z56896153 [0,0,0,0,0,0|2,0,1]=3 32 B5R0.1 N#CCC(=O)O Z104476112 [0,0,0,0,0,0|1,0,1]=2 33 B5R0.1 N#CCC(=S)N Z57046941 [0,0,0,0,0,0|2,1,1]=4 34 B5R0.1 N=C(N)CCO Z1198394167 [0,0,0,0,0,0|4,0,0]=4 35 B5R0.1 NC(=O)CCO Z431951940 [0,0,0,0,0,0|3,0,0]=3 36 B5R0.1 NCC=C(Cl)Cl Z2469606492 [0,0,0,0,0,0|3,0,1]=4 37 B5R0.1 NCC=C(F)F Z4511316967 [0,0,0,0,0,0|3,0,1]=4 38 B5R0.1 NCCC(=O)N Z415728050 [0,0,0,0,0,0|2,0,0]=2 39 B5R0.1 NCCC(=O)O Z57127544 [0,0,0,0,0,0|1,0,0]=1 40 B5R0.1 NOCC(=O)O Z90662171 [0,0,0,0,0,0|0,0,0]=0 41 B5R0.1 O=C(O)/C=C/I Z2327124440 [0,0,0,0,0,0|2,0,1]=3 42 B5R0.1 O=C(O)CCCl Z203045320 [0,0,0,0,0,0|2,0,0]=2 43 B5R0.1 O=C(O)CCS Z104474322 [0,0,0,0,0,0|2,0,0]=2 44 B5R0.1 O=C(O)CNO Z1205493750 [0,0,0,0,0,0|2,0,0]=2 45 B4R0.1 C#CC(=O)O Z104493798 [1,0,0,0,0,0|1,0,1]=3 46 B4R0.1 C=C(Br)CN Z600439032 [1,0,0,0,0,0|2,0,0]=3 47 B4R0.1 C=C(Br)CO Z600440434 [1,0,0,0,0,0|2,0,0]=3 48 B4R0.1 C=CC(=O)O Z57127944 [1,0,0,0,0,0|1,0,1]=3 49 B4R0.1 CC(=O)C=O Z104495190 [1,0,0,0,0,0|1,0,2]=4 50 B4R0.1 CC(=O)CN Z1262398366 [1,0,0,0,0,0|1,0,0]=2 51 B4R0.1 CC(=O)NN Z58981787 [1,0,0,0,0,0|2,0,0]=3 52 B4R0.1 CC(=O)NO Z59181917 [1,0,0,0,0,0|2,0,0]=3 53 B4R0.1 CC(F)CN Z2941405027 [1,0,0,0,0,0|2,0,1]=4 54 B4R0.1 CC(N)CN Z104474490 [1,0,0,0,0,0|2,0,1]=4 55 B4R0.1 CC(O)CN Z104477092 [1,0,0,0,0,0|1,0,1]=3 56 B4R0.1 CC(O)CO Z106938868 [1,0,0,0,0,0|1,0,1]=3 57 B4R0.1 CCC(=N)N Z1741969146 [1,0,0,0,0,0|3,0,0]=4 58 B4R0.1 CCC(=O)N Z33546482 [1,0,0,0,0,0|2,0,0]=3 59 B4R0.1 CCC(=O)O Z104474154 [1,0,0,0,0,0|1,0,0]=2 60 B4R0.1 CCC(=S)N Z241091446 [1,0,0,0,0,0|2,1,0]=4 61 B4R0.1 CC[C@@H](C)O Z1203162396 [1,0,0,0,0,0|2,0,1]=4 62 B4R0.1 CNC(=O)C Z32016274 [1,0,0,0,0,0|3,0,0]=4 63 B4R0.1 CNC(=O)N Z56932989 [1,0,0,0,0,0|3,0,0]=4 64 B4R0.1 COC(=N)N Z1741976783 [1,0,0,0,0,0|3,0,0]=4 65 B4R0.1 COC(=O)N Z104476722 [1,0,0,0,0,0|2,0,0]=3 66 B4R0.1 C[C@@H](N)CN Z3234812272 [1,0,0,0,0,0|2,0,1]=4 67 B4R0.1 C[C@@H](N)CO Z346076140 [1,0,0,0,0,0|2,0,1]=4 68 B4R0.1 C[C@@H](O)CO Z1255486379 [1,0,0,0,0,0|1,0,1]=3 69 B4R0.1 C[C@H](N)CN Z1741977335 [1,0,0,0,0,0|2,0,1]=4 70 B4R0.1 C[C@H](O)CN Z1203577967 [1,0,0,0,0,0|1,0,1]=3 71 B4R0.1 C[C@H](O)CO Z1255449993 [1,0,0,0,0,0|1,0,1]=3 72 B4R0.1 N=C(N)CCl Z204878288 [1,0,0,0,0,0|3,0,0]=4 73 B4R0.1 N=C(N)CN Z3798800325 [1,0,0,0,0,0|2,0,0]=3 74 B4R0.1 N=C(N)CO Z1259341033 [1,0,0,0,0,0|2,0,0]=3 75 B4R0.1 N=C(N)NN Z1259217988 [1,0,0,0,0,0|3,0,0]=4 76 B4R0.1 NC(=O)CF Z104475768 [1,0,0,0,0,0|2,0,0]=3 77 B4R0.1 NC(=O)CI Z1080376832 [1,0,0,0,0,0|2,0,0]=3 78 B4R0.1 NC(=O)CO Z424788508 [1,0,0,0,0,0|1,0,0]=2 79 B4R0.1 NC(=O)NO Z1203577934 [1,0,0,0,0,0|2,0,0]=3 80 B4R0.1 NCC(=O)N Z1262254285 [1,0,0,0,0,0|1,0,0]=2 81 B4R0.1 NCC(=O)O Z955123660 [1,0,0,0,0,0|0,0,0]=1 82 B4R0.1 NCC(F)F Z1295543893 [1,0,0,0,0,0|2,0,1]=4 83 B4R0.1 NNC(=O)N Z104473922 [1,0,0,0,0,0|2,0,0]=3 84 B4R0.1 O=C(O)CBr Z104473018 [1,0,0,0,0,0|1,0,0]=2 85 B4R0.1 O=C(O)CO Z104473274 [1,0,0,0,0,0|0,0,0]=1 86 B4R0.1 O=[N+]([O-])CBr Z1255485348 [1,0,0,0,0,0|2,0,1]=4 87 B4R0.1 OCC(F)F Z397587054 [1,0,0,0,0,0|2,0,1]=4 88 B4R0.2 C#CCCN Z1267881669 [1,0,0,0,0,0|2,0,1]=4 89 B4R0.2 CCCCN Z104474314 [1,0,0,0,0,0|2,0,1]=4 90 B4R0.2 CCCCO Z104473488 [1,0,0,0,0,0|2,0,1]=4 91 B4R0.2 CCCNN Z415728048 [1,0,0,0,0,0|2,0,1]=4 92 B4R0.2 COCC#N Z86023357 [1,0,0,0,0,0|2,0,1]=4 93 B4R0.2 COCCO Z104473522 [1,0,0,0,0,0|1,0,1]=3 94 B4R0.2 CSCCO Z149154880 [1,0,0,0,0,0|1,1,1]=4 95 B4R0.2 N#CCCN Z1895741700 [1,0,0,0,0,0|2,0,1]=4 96 B4R0.2 NC/C=C/Cl Z2941400887 [1,0,0,0,0,0|2,0,1]=4 97 B4R0.2 NCCCN Z104478068 [1,0,0,0,0,0|2,0,1]=4 98 B4R0.2 NCCCO Z56771034 [1,0,0,0,0,0|1,0,1]=3 99 B6R0.1 C#CCC(=O)OC Z1198160347 [0,1,0,0,0,0|2,0,0]=3 100 B6R0.1 CC(CO)CCN Z5410631465 [0,1,0,0,0,0|2,0,1]=4 101 B6R0.1 CCC(=O)COC Z825742020 [0,1,0,0,0,0|2,0,0]=3 102 B6R0.1 CCC(O)CCN Z406342052 [0,1,0,0,0,0|2,0,1]=4 103 B6R0.1 CCCC(=O)CN Z1203579017 [0,1,0,0,0,0|3,0,0]=4 104 B6R0.1 CCCC(=O)NO Z59181937 [0,1,0,0,0,0|2,0,0]=3 105 B6R0.1 CCNC(=O)CO Z431952024 [0,1,0,0,0,0|3,0,0]=4 106 B6R0.1 CCOC(=O)CO Z385458066 [0,1,0,0,0,0|3,0,0]=4 107 B6R0.1 CCS(=O)CCN Z1266854910 [0,1,0,0,0,0|3,0,0]=4 108 B6R0.1 CNC(=O)CC#N Z56945997 [0,1,0,0,0,0|2,0,1]=4 109 B6R0.1 CNC(=O)CCCl Z239813512 [0,1,0,0,0,0|3,0,0]=4 110 B6R0.1 CNC(=O)CCN Z425449754 [0,1,0,0,0,0|2,0,0]=3 111 B6R0.1 CNC(=O)CCO Z975909370 [0,1,0,0,0,0|3,0,0]=4 112 B6R0.1 CNCC(=O)NC Z57981096 [0,1,0,0,0,0|3,0,0]=4 113 B6R0.1 CNCC(=O)OC Z89264972 [0,1,0,0,0,0|2,0,0]=3 114 B6R0.1 COC(C)CCN Z802903932 [0,1,0,0,0,0|2,0,1]=4 115 B6R0.1 COCC(C)CO Z1192375999 [0,1,0,0,0,0|2,0,1]=4 116 B6R0.1 COCC(N)CO Z1945984156 [0,1,0,0,0,0|2,0,1]=4 117 B6R0.1 COCC(O)CN Z271097108 [0,1,0,0,0,0|2,0,1]=4 118 B6R0.1 CONC(=O)CCl Z234816732 [0,1,0,0,0,0|3,0,0]=4 119 B6R0.1 N#CCC(=O)NN Z104474618 [0,1,0,0,0,0|2,0,1]=4 120 B6R0.2 C/C(=C/C(=O)O)/I Z1508917269 [0,1,0,0,0,0|2,0,1]=4 121 B6R0.2 C=C(C)CC(=O)O Z295890066 [0,1,0,0,0,0|2,0,0]=3 122 B6R0.2 CC(=CC(=O)O)C Z104480144 [0,1,0,0,0,0|2,0,1]=4 123 B6R0.2 CC(=O)/C=C(/C)\N Z56858245 [0,1,0,0,0,0|2,0,1]=4 124 B6R0.2 CC(=O)CC(C)N Z57329385 [0,1,0,0,0,0|2,0,0]=3 125 B6R0.2 CC(=O)NC(=N)N Z1203578060 [0,1,0,0,0,0|3,0,0]=4 126 B6R0.2 CC(=O)NC(=O)N Z104476284 [0,1,0,0,0,0|3,0,0]=4 127 B6R0.2 CC(C)CC(=O)N Z33546511 [0,1,0,0,0,0|3,0,0]=4 128 B6R0.2 CC(C)CC(=O)O Z104474910 [0,1,0,0,0,0|2,0,0]=3 129 B6R0.2 CC(N)CC(=O)N Z594220690 [0,1,0,0,0,0|2,0,0]=3 130 B6R0.2 CC(N)CC(=O)O Z147647144 [0,1,0,0,0,0|1,0,0]=2 131 B6R0.2 CC(N)CS(=O)C Z1238793449 [0,1,0,0,0,0|3,0,0]=4 132 B6R0.2 CN(C)CC(=O)N Z54750057 [0,1,0,0,0,0|3,0,0]=4 133 B6R0.2 CN(C)CC(=O)O Z235580496 [0,1,0,0,0,0|2,0,0]=3 134 B6R0.2 CS(=O)CC(=O)N Z1203581973 [0,1,0,0,0,0|2,1,0]=4 135 B6R0.2 C[C@H](N)CC(=O)O Z1741969208 [0,1,0,0,0,0|1,0,0]=2 136 B6R0.2 N=C(N)CC(=N)N Z1357774279 [0,1,0,0,0,0|3,0,0]=4 137 B6R0.2 N=C(N)CC(=O)N Z104480060 [0,1,0,0,0,0|2,0,0]=3 138 B6R0.2 NC(=O)CC(=O)N Z104473780 [0,1,0,0,0,0|2,0,0]=3 139 B6R0.2 NC(=O)CC(=O)O Z963467736 [0,1,0,0,0,0|1,0,0]=2 140 B6R0.2 NC(=O)NC(=O)N Z57206006 [0,1,0,0,0,0|3,0,0]=4 141 B6R0.2 O=C(O)C=C(Br)Br Z1416198234 [0,1,0,0,0,0|2,0,1]=4 142 B6R0.2 O=C(O)C=C(Cl)Cl Z1205493743 [0,1,0,0,0,0|2,0,1]=4 143 B6R0.2 O=C(O)CC(=O)O Z57965450 [0,1,0,0,0,0|2,0,0]=3 144 B6R0.3 C=CC(N)C(=O)O Z3244810526 [0,1,0,0,0,0|2,0,0]=3 145 B6R0.3 CC(C#N)C(=O)O Z852759720 [0,1,0,0,0,0|1,0,1]=3 146 B6R0.3 CC(CN)C(=O)O Z431542704 [0,1,0,0,0,0|1,0,0]=2 147 B6R0.3 CC(CO)C(=O)O Z431541400 [0,1,0,0,0,0|2,0,0]=3 148 B6R0.3 CC(O)C(N)CN Z1250080890 [0,1,0,0,0,0|2,0,1]=4 149 B6R0.3 CCC(C)C(=O)N Z270978420 [0,1,0,0,0,0|3,0,0]=4 150 B6R0.3 CCC(C)C(=O)O Z237374874 [0,1,0,0,0,0|2,0,0]=3 151 B6R0.3 CCC(N)C(=O)O Z104495144 [0,1,0,0,0,0|2,0,0]=3 152 B6R0.3 CCC(O)C(=O)N Z965049008 [0,1,0,0,0,0|3,0,0]=4 153 B6R0.3 CCC(O)C(=O)O Z246073650 [0,1,0,0,0,0|2,0,0]=3 154 B6R0.3 CC[C@@H](N)C(=O)O Z904976986 [0,1,0,0,0,0|2,0,0]=3 155 B6R0.3 CC[C@H](C)C(=O)O Z1205493564 [0,1,0,0,0,0|2,0,0]=3 156 B6R0.3 CC[C@H](N)C(=O)O Z1741965569 [0,1,0,0,0,0|2,0,0]=3 157 B6R0.3 CNC(C)C(=O)O Z1278590830 [0,1,0,0,0,0|2,0,0]=3 158 B6R0.3 CN[C@@H](C)C(=O)N Z2143576643 [0,1,0,0,0,0|3,0,0]=4 159 B6R0.3 COC(C)C(=N)N Z1365534351 [0,1,0,0,0,0|3,0,0]=4 160 B6R0.3 COC(C)C(=O)C Z447898138 [0,1,0,0,0,0|2,0,0]=3 161 B6R0.3 COC(C)C(=O)N Z223645218 [0,1,0,0,0,0|2,0,0]=3 162 B6R0.3 COC(C)C(=O)O Z316258898 [0,1,0,0,0,0|1,0,0]=2 163 B6R0.3 CSC(C)C(=O)O Z149191750 [0,1,0,0,0,0|1,1,0]=3 164 B6R0.3 N#CC(Br)C(=O)N Z431988688 [0,1,0,0,0,0|2,0,1]=4 165 B6R0.3 NC(CO)C(=O)O Z57396986 [0,1,0,0,0,0|2,0,0]=3 166 B6R0.3 NC(CS)C(=O)O Z966690626 [0,1,0,0,0,0|2,0,0]=3 167 B6R0.3 NCC(N)C(=O)O Z2465863279 [0,1,0,0,0,0|1,0,0]=2 168 B6R0.3 NCC(O)C(=O)N Z1889902538 [0,1,0,0,0,0|2,0,0]=3 169 B6R0.3 NC[C@@H](F)C(=O)O Z2695741427 [0,1,0,0,0,0|1,0,0]=2 170 B6R0.3 NNC(=O)C(=O)O Z3068042919 [0,1,0,0,0,0|1,0,1]=3 171 B6R0.3 N[C@@H](CO)C(=O)O Z756440058 [0,1,0,0,0,0|2,0,0]=3 172 B6R0.3 N[C@@H](CS)C(=O)O Z760035162 [0,1,0,0,0,0|2,0,0]=3 173 B6R0.3 N[C@H](CO)C(=O)O Z1070067572 [0,1,0,0,0,0|2,0,0]=3 174 B6R0.3 O=C(O)C(=O)CBr Z1079181768 [0,1,0,0,0,0|2,0,1]=4 175 B6R0.4 C#CCCC(=O)O Z295890062 [0,1,0,0,0,0|2,0,0]=3 176 B6R0.4 C#CCNC(=O)C Z220957448 [0,1,0,0,0,0|3,0,0]=4 177 B6R0.4 C#CCNC(=O)N Z198194920 [0,1,0,0,0,0|3,0,0]=4 178 B6R0.4 C#CCOC(=O)N Z1203578973 [0,1,0,0,0,0|3,0,0]=4 179 B6R0.4 C=CCCC(=O)C Z406376894 [0,1,0,0,0,0|3,0,0]=4 180 B6R0.4 C=CCCC(=O)O Z995028722 [0,1,0,0,0,0|2,0,0]=3 181 B6R0.4 C=CCNC(=O)C Z32064466 [0,1,0,0,0,0|3,0,0]=4 182 B6R0.4 C=CCNC(=O)N Z56904662 [0,1,0,0,0,0|3,0,0]=4 183 B6R0.4 CC(=O)CCC#N Z1251352415 [0,1,0,0,0,0|2,0,1]=4 184 B6R0.4 CC(=O)NCCCl Z57983106 [0,1,0,0,0,0|3,0,0]=4 185 B6R0.4 CC(=O)OCCN Z1973465551 [0,1,0,0,0,0|2,0,0]=3 186 B6R0.4 CC(O)CCCN Z1198178891 [0,1,0,0,0,0|2,0,1]=4 187 B6R0.4 CC/C=C/C(=O)O Z2311573931 [0,1,0,0,0,0|2,0,1]=4 188 B6R0.4 CCC#CC(=O)O Z1205493735 [0,1,0,0,0,0|2,0,1]=4 189 B6R0.4 CCCCC(=O)N Z104476278 [0,1,0,0,0,0|3,0,0]=4 190 B6R0.4 CCCCC(=O)O Z104473312 [0,1,0,0,0,0|2,0,0]=3 191 B6R0.4 CCCNC(=O)C Z33030314 [0,1,0,0,0,0|3,0,0]=4 192 B6R0.4 CCCOC(=O)N Z1198148877 [0,1,0,0,0,0|3,0,0]=4 193 B6R0.4 CCNCC(=O)N Z1459435506 [0,1,0,0,0,0|3,0,0]=4 194 B6R0.4 CCNCC(=O)O Z744593094 [0,1,0,0,0,0|2,0,0]=3 195 B6R0.4 CCOCC(=O)O Z104495232 [0,1,0,0,0,0|1,0,0]=2 196 B6R0.4 CNCCC(=O)C Z1536943318 [0,1,0,0,0,0|2,0,0]=3 197 B6R0.4 CNCCC(C)O Z1203731868 [0,1,0,0,0,0|2,0,1]=4 198 B6R0.4 COCCC(=N)N Z1592042674 [0,1,0,0,0,0|3,0,0]=4 199 B6R0.4 COCCC(=O)C Z362119682 [0,1,0,0,0,0|2,0,0]=3 200 B6R0.4 COCCC(=O)N Z394696458 [0,1,0,0,0,0|2,0,0]=3 201 B6R0.4 COCCC(=O)O Z285184634 [0,1,0,0,0,0|1,0,0]=2 202 B6R0.4 COCCC(C)O Z818738042 [0,1,0,0,0,0|2,0,1]=4 203 B6R0.4 CS/C=C/C(=O)O Z1868430572 [0,1,0,0,0,0|1,1,1]=4 204 B6R0.4 CSCCC(=O)O Z54719251 [0,1,0,0,0,0|1,1,0]=3 205 B6R0.4 N#CCCC(=O)N Z57160408 [0,1,0,0,0,0|2,0,1]=4 206 B6R0.4 N#CCNC(=O)N Z600498544 [0,1,0,0,0,0|2,0,1]=4 207 B6R0.4 N=C(N)NCCN Z2235813444 [0,1,0,0,0,0|3,0,0]=4 208 B6R0.4 NC(=O)CCCO Z1203578394 [0,1,0,0,0,0|3,0,0]=4 209 B6R0.4 NC(=O)NCCF Z1203582184 [0,1,0,0,0,0|3,0,0]=4 210 B6R0.4 NC(=O)OCCO Z1198158440 [0,1,0,0,0,0|3,0,0]=4 211 B6R0.4 NCCCC(=O)N Z398513418 [0,1,0,0,0,0|2,0,0]=3 212 B6R0.4 NCCCC(=O)O Z104475620 [0,1,0,0,0,0|1,0,0]=2 213 B6R0.4 NCCCS(=O)O Z1203579399 [0,1,0,0,0,0|2,0,0]=3 214 B6R0.4 NCCNC(=O)N Z1268152381 [0,1,0,0,0,0|2,0,0]=3 215 B6R0.4 NCCOC(=O)N Z1587257433 [0,1,0,0,0,0|2,0,0]=3 216 B6R0.4 O=C(O)/C=C/CO Z3178016098 [0,1,0,0,0,0|2,0,1]=4 217 B6R0.4 O=C(O)C#CCO Z1198169479 [0,1,0,0,0,0|2,0,1]=4 218 B6R0.4 O=C(O)CCCS Z147642510 [0,1,0,0,0,0|2,0,0]=3 219 B6R0.5 CS(=O)(=O)CCN Z265638750 [0,1,0,0,0,0|2,0,1]=4 220 B6R0.5 N#CCP(=O)(O)O Z3025383580 [0,1,0,0,0,0|2,0,1]=4 221 B6R0.5 NCCS(=O)(=O)N Z432066942 [0,1,0,0,0,0|2,0,1]=4 222 B6R0.5 NCCS(=O)(=O)O Z248489432 [0,1,0,0,0,0|2,0,0]=3 223 B6R1.2 C=C1CCNC1 Z3019986853 [0,0,0,1,0,0|3,0,0]=4 224 B6R1.2 C=C1CNOC1 Z3037884222 [0,0,0,1,0,0|2,0,0]=3 225 B6R1.2 NC1=NNCC1 Z1569708704 [0,0,0,1,0,0|3,0,0]=4 226 B6R1.2 O=C1C=CCO1 Z1219048777 [0,0,0,1,0,0|2,0,1]=4 227 B6R1.2 O=C1C=CNN1 Z1198154338 [0,0,0,1,0,0|2,0,1]=4 228 B6R1.2 O=C1CCCN1 Z104472846 [0,0,0,1,0,0|3,0,0]=4 229 B6R1.2 O=C1CCNC1 Z1741976513 [0,0,0,1,0,0|2,0,0]=3 230 B6R1.2 O=C1CCNN1 Z2935001239 [0,0,0,1,0,0|2,0,0]=3 231 B6R1.2 O=C1CCSC1 Z104495638 [0,0,0,1,0,0|2,1,0]=4 232 B6R1.2 O=C1NCCO1 Z104474784 [0,0,0,1,0,0|3,0,0]=4 233 B6R1.2 O=C1OCCO1 Z1172235744 [0,0,0,1,0,0|3,0,0]=4 234 B6R1.2 OC1=NOC=C1 Z1255501207 [0,0,0,1,0,0|3,0,0]=4 235 B6R1.2 OC1CCOC1 Z1124541349 [0,0,0,1,0,0|2,0,1]=4 236 B6R1.2 O[C@@H]1CCNC1 Z1263714129 [0,0,0,1,0,0|2,0,1]=4 237 B6R1.2 O[C@H]1CCNC1 Z1263714116 [0,0,0,1,0,0|2,0,1]=4 238 B6R1.5 N[C@H]1C[C@H](C1)O Z1416282421 [0,0,0,1,0,0|2,0,1]=4 239 B6R1.8 C=C1CC1CN Z3454021936 [0,0,0,1,0,0|3,0,0]=4 240 B6R1.10 O=S1(=O)CCN1 Z415933552 [0,0,0,1,0,0|2,0,1]=4 241 B6R1.11 C=C(Cl)C1CO1 Z2574917304 [0,0,0,1,0,0|3,0,0]=4 242 B3R0.1 C=CCO Z104473976 [2,0,0,0,0,0|1,0,0]=3 243 B3R0.1 N#CCN Z1210869368 [2,0,0,0,0,0|1,0,1]=4 244 B3R0.1 N/C=N/O Z156964716 [2,0,0,0,0,0|1,0,1]=4 245 B3R0.1 NCCF Z1966571823 [2,0,0,0,0,0|1,0,1]=4 246 B3R0.1 NCCN Z104473714 [2,0,0,0,0,0|1,0,1]=4 247 B3R0.1 NCCO Z104473700 [2,0,0,0,0,0|0,0,1]=3 248 B3R0.1 NCCS Z104474494 [2,0,0,0,0,0|0,1,1]=4 249 B3R0.1 OCCS Z104473584 [2,0,0,0,0,0|0,1,1]=4 250 B3R0.2 CC(=O)N Z33546370 [2,0,0,0,0,0|1,0,0]=3 251 B3R0.2 CC(=O)O Z1954803614 [2,0,0,0,0,0|0,0,0]=2 252 B3R0.2 CC(=O)[S-] Z1142554016 [2,0,0,0,0,0|0,1,0]=3 253 B3R0.2 NC(=O)N Z104473900 [2,0,0,0,0,0|1,0,0]=3 254 B5R0.3 C=C(CC)CN Z2238934536 [1,1,0,0,0,0|2,0,0]=4 255 B5R0.3 CC(CN)CO Z406342068 [1,1,0,0,0,0|1,0,1]=4 256 B5R0.3 CC/C(=N/O)/N Z241067842 [1,1,0,0,0,0|2,0,0]=4 257 B5R0.3 CCC(=O)CC Z104476878 [1,1,0,0,0,0|2,0,0]=4 258 B5R0.3 CCC(=O)CN Z1203579016 [1,1,0,0,0,0|1,0,0]=3 259 B5R0.3 CCC(=O)NN Z56886418 [1,1,0,0,0,0|2,0,0]=4 260 B5R0.3 CCC(O)CN Z419084746 [1,1,0,0,0,0|1,0,1]=4 261 B5R0.3 CCC(O)CO Z600450538 [1,1,0,0,0,0|1,0,1]=4 262 B5R0.3 CNC(=O)CCl Z56891219 [1,1,0,0,0,0|2,0,0]=4 263 B5R0.3 CNC(=O)CN Z57981102 [1,1,0,0,0,0|1,0,0]=3 264 B5R0.3 CNC(=O)CO Z431952700 [1,1,0,0,0,0|1,0,0]=3 265 B5R0.3 CNC(=O)CS Z1203730878 [1,1,0,0,0,0|1,1,0]=4 266 B5R0.3 COC(=O)CN Z57042020 [1,1,0,0,0,0|0,0,0]=2 267 B5R0.3 COC(C)CN Z1795817756 [1,1,0,0,0,0|1,0,1]=4 268 B5R0.3 COC(C)CO Z1198150719 [1,1,0,0,0,0|1,0,1]=4 269 B5R0.3 N=C(CN)NO Z223781376 [1,1,0,0,0,0|1,0,0]=3 270 B5R0.3 NC(CO)CO Z1203577940 [1,1,0,0,0,0|1,0,1]=4 271 B5R0.3 NCC(=O)CN Z1198147360 [1,1,0,0,0,0|1,0,0]=3 272 B5R0.3 NCC(O)CF Z2311274712 [1,1,0,0,0,0|1,0,1]=4 273 B5R0.3 O=C(CO)CO Z1255442144 [1,1,0,0,0,0|0,0,0]=2 274 B5R0.3 OC/C(=C/I)/I Z4691071538 [1,1,0,0,0,0|2,0,0]=4 275 B5R0.3 OCC(O)CO Z104473548 [1,1,0,0,0,0|0,0,2]=4 276 B5R0.3 OCC(O)CS Z1255382958 [1,1,0,0,0,0|0,1,1]=4 277 B5R0.4 CC(C)(O)CO Z600454414 [1,1,0,0,0,0|1,0,1]=4 278 B5R0.5 C=C(Cl)C(=O)O Z1201617183 [1,1,0,0,0,0|1,0,1]=4 279 B5R0.5 CC(=O)C(=O)O Z104495240 [1,1,0,0,0,0|0,0,2]=4 280 B5R0.5 CC(=O)C(C)N Z1263529525 [1,1,0,0,0,0|1,0,0]=3 281 B5R0.5 CC(Br)C(=O)O Z57127555 [1,1,0,0,0,0|1,0,0]=3 282 B5R0.5 CC(C)C(=O)N Z57046209 [1,1,0,0,0,0|2,0,0]=4 283 B5R0.5 CC(C)C(=O)O Z104473380 [1,1,0,0,0,0|1,0,0]=3 284 B5R0.5 CC(Cl)C(=O)N Z56924427 [1,1,0,0,0,0|2,0,0]=4 285 B5R0.5 CC(Cl)C(=O)O Z147646840 [1,1,0,0,0,0|1,0,0]=3 286 B5R0.5 CC(N)C(=O)N Z54749436 [1,1,0,0,0,0|1,0,0]=3 287 B5R0.5 CC(N)C(=O)O Z57396987 [1,1,0,0,0,0|0,0,0]=2 288 B5R0.5 CC(O)C(=N)N Z2216711526 [1,1,0,0,0,0|2,0,0]=4 289 B5R0.5 CC(O)C(=O)N Z57206008 [1,1,0,0,0,0|1,0,0]=3 290 B5R0.5 CC(O)C(C)O Z104473532 [1,1,0,0,0,0|1,0,1]=4 291 B5R0.5 CC(S)C(=O)O Z104477082 [1,1,0,0,0,0|0,1,0]=3 292 B5R0.5 C[C@@H](N)C(=O)O Z802692914 [1,1,0,0,0,0|0,0,0]=2 293 B5R0.5 C[C@H](N)C(=O)N Z359371050 [1,1,0,0,0,0|1,0,0]=3 294 B5R0.5 C[C@H](N)C(=O)O Z756424912 [1,1,0,0,0,0|0,0,0]=2 295 B5R0.5 NC(=O)C(F)F Z33546481 [1,1,0,0,0,0|2,0,0]=4 296 B5R0.5 O=C(O)C(=O)O Z1741978903 [1,1,0,0,0,0|0,0,1]=3 297 B5R0.5 O=C(O)C(Cl)Cl Z104476414 [1,1,0,0,0,0|1,0,0]=3 298 B5R0.5 O=C(O)C(F)F Z104474070 [1,1,0,0,0,0|1,0,0]=3 299 B5R0.2 C/C=C/CCN Z1268152372 [1,1,0,0,0,0|2,0,0]=4 300 B5R0.2 C=CCCCN Z993058434 [1,1,0,0,0,0|2,0,0]=4 301 B5R0.2 CCCCC=O Z104472992 [1,1,0,0,0,0|2,0,0]=4 302 B5R0.2 CCOCCO Z104473122 [1,1,0,0,0,0|1,0,1]=4 303 B5R0.2 CNCCCO Z104756980 [1,1,0,0,0,0|1,0,1]=4 304 B5R0.2 COCCCO Z431517702 [1,1,0,0,0,0|1,0,1]=4 305 B5R0.2 COCCOC Z104473014 [1,1,0,0,0,0|1,0,1]=4 306 B7R0.2 CC(CN)CC(=O)O Z1436472873 [0,2,0,0,0,0|1,0,0]=3 307 B7R0.2 CCC(C)CC(=O)O Z352782882 [0,2,0,0,0,0|2,0,0]=4 308 B7R0.2 CCC(N)CC(=O)O Z1708090940 [0,2,0,0,0,0|1,0,0]=3 309 B7R0.2 CCN(C)CC(=O)O Z1459897022 [0,2,0,0,0,0|2,0,0]=4 310 B7R0.2 CN(CC(=O)O)N=O Z1198151307 [0,2,0,0,0,0|1,0,1]=4 311 B7R0.2 CNC(=O)CC(=N)N Z3024198799 [0,2,0,0,0,0|2,0,0]=4 312 B7R0.2 CNC(=O)CC(=O)O Z963467722 [0,2,0,0,0,0|1,0,0]=3 313 B7R0.2 CNC(=O)CC(C)N Z1457935170 [0,2,0,0,0,0|2,0,0]=4 314 B7R0.2 CNC(C)CC(=O)N Z3070230004 [0,2,0,0,0,0|2,0,0]=4 315 B7R0.2 COC(=O)/C=C(/C)\N Z104472884 [0,2,0,0,0,0|1,0,1]=4 316 B7R0.2 COC(=O)CC(C)N Z169856728 [0,2,0,0,0,0|1,0,0]=3 317 B7R0.2 COC(C)CC(=O)O Z431536426 [0,2,0,0,0,0|1,0,0]=3 318 B7R0.2 NC(=O)NC(=O)CO Z431952046 [0,2,0,0,0,0|2,0,0]=4 319 B7R0.2 NCC(O)CC(=O)O Z1255390571 [0,2,0,0,0,0|1,0,0]=3 320 B7R0.2 NC[C@@H](O)CC(=O)O Z1203578293 [0,2,0,0,0,0|1,0,0]=3 321 B7R0.2 NC[C@H](O)CC(=O)O Z1198160294 [0,2,0,0,0,0|1,0,0]=3 322 B7R0.3 C#CC(=O)NCCN Z3038435158 [0,2,0,0,0,0|2,0,0]=4 323 B7R0.3 CCC(=O)NCCN Z1455674775 [0,2,0,0,0,0|2,0,0]=4 324 B7R0.3 CCNCC(=O)OC Z138464962 [0,2,0,0,0,0|2,0,0]=4 325 B7R0.3 CNC(=O)CCCN Z451350656 [0,2,0,0,0,0|2,0,0]=4 326 B7R0.3 CNCCC(=O)NC Z852427258 [0,2,0,0,0,0|2,0,0]=4 327 B7R0.3 CNCCC(=O)OC Z140562916 [0,2,0,0,0,0|1,0,0]=3 328 B7R0.3 COC(=O)CCC#N Z1179894109 [0,2,0,0,0,0|1,0,1]=4 329 B7R0.3 COC(=O)NCCN Z2237317343 [0,2,0,0,0,0|1,0,0]=3 330 B7R0.3 NCCCC(=O)NO Z3488307998 [0,2,0,0,0,0|1,0,0]=3 331 B7R0.3 O=C(CO)NCCO Z1203732626 [0,2,0,0,0,0|2,0,0]=4 332 B7R0.5 C/C=C/C(O)C(=O)O Z2515207189 [0,2,0,0,0,0|2,0,0]=4 333 B7R0.5 C=CCC(N)C(=O)O Z317024964 [0,2,0,0,0,0|2,0,0]=4 334 B7R0.5 C=CC[C@@H](N)C(=O)O Z1374884973 [0,2,0,0,0,0|2,0,0]=4 335 B7R0.5 CC(CCN)C(=O)O Z2298167292 [0,2,0,0,0,0|1,0,0]=3 336 B7R0.5 CC(NC=O)C(=O)O Z56757230 [0,2,0,0,0,0|2,0,0]=4 337 B7R0.5 CCCC(C)C(=O)O Z104477112 [0,2,0,0,0,0|2,0,0]=4 338 B7R0.5 CCCC(N)C(=O)O Z317024724 [0,2,0,0,0,0|2,0,0]=4 339 B7R0.5 CCC[C@@H](N)C(=O)O Z763365012 [0,2,0,0,0,0|2,0,0]=4 340 B7R0.5 CCC[C@H](N)C(=O)O Z1033300662 [0,2,0,0,0,0|2,0,0]=4 341 B7R0.5 CCNC(C)C(=O)O Z3181996310 [0,2,0,0,0,0|2,0,0]=4 342 B7R0.5 CCOC(C)C(=O)O Z316258934 [0,2,0,0,0,0|1,0,0]=3 343 B7R0.5 CN(C)C(=O)CCN Z802671460 [0,2,0,0,0,0|2,0,0]=4 344 B7R0.5 CNCC(C)C(=O)O Z1270387301 [0,2,0,0,0,0|1,0,0]=3 345 B7R0.5 COCC(=O)C(C)C Z825742022 [0,2,0,0,0,0|2,0,0]=4 346 B7R0.5 COCC(C)C(=O)O Z431541094 [0,2,0,0,0,0|1,0,0]=3 347 B7R0.5 COCC(N)C(=O)O Z1613478163 [0,2,0,0,0,0|1,0,0]=3 348 B7R0.5 CSCC(C)C(=O)O Z732206684 [0,2,0,0,0,0|1,1,0]=4 349 B7R0.5 CSCC(N)C(=O)O Z317025996 [0,2,0,0,0,0|1,1,0]=4 350 B7R0.5 NC(CCF)C(=O)O Z2470036329 [0,2,0,0,0,0|2,0,0]=4 351 B7R0.5 NC(CCO)C(=O)O Z234896487 [0,2,0,0,0,0|2,0,0]=4 352 B7R0.5 NCCC(F)C(=O)O Z3235903750 [0,2,0,0,0,0|1,0,0]=3 353 B7R0.5 NCC[C@H](N)C(=O)O Z1741978716 [0,2,0,0,0,0|1,0,0]=3 354 B7R0.5 NCC[C@H](O)C(=O)O Z1203578154 [0,2,0,0,0,0|1,0,0]=3 355 B7R0.5 N[C@@H](CCO)C(=O)O Z1172369006 [0,2,0,0,0,0|2,0,0]=4 356 B7R0.5 N[C@H](CCO)C(=O)O Z608345098 [0,2,0,0,0,0|2,0,0]=4 357 B7R0.7 CCNC(=O)CCN Z1449756826 [0,2,0,0,0,0|2,0,0]=4 358 B7R0.7 CCOC(=O)CC#N Z104473162 [0,2,0,0,0,0|1,0,1]=4 359 B7R0.7 CCOC(=O)CNC Z1262237263 [0,2,0,0,0,0|2,0,0]=4 360 B7R0.10 CNC(=O)C(C)CN Z2079695013 [0,2,0,0,0,0|2,0,0]=4 361 B7R0.10 CNC(=O)C(O)CN Z2418537068 [0,2,0,0,0,0|2,0,0]=4 362 B7R0.10 COC(=O)C(C)CN Z1357902409 [0,2,0,0,0,0|1,0,0]=3 363 B7R0.10 COC(=O)C(C)SC Z821313006 [0,2,0,0,0,0|1,1,0]=4 364 B7R0.10 COC(=O)C(N)CF Z1255489945 [0,2,0,0,0,0|2,0,0]=4 365 B7R0.10 COC(=O)C(N)CO Z104479480 [0,2,0,0,0,0|2,0,0]=4 366 B7R0.10 COC(=O)C(N)CS Z56917374 [0,2,0,0,0,0|2,0,0]=4 367 B7R0.10 COC(=O)[C@@H](F)CN Z2830704461 [0,2,0,0,0,0|1,0,0]=3 368 B7R0.10 COC(=O)[C@@H](N)CS Z1741970632 [0,2,0,0,0,0|2,0,0]=4 369 B7R0.10 COC(=O)[C@@H](O)CN Z1540004832 [0,2,0,0,0,0|1,0,0]=3 370 B7R0.9 CC(C)(Br)CC(=O)O Z1262512457 [0,2,0,0,0,0|2,0,0]=4 371 B7R0.9 CC(C)(C)CC(=O)O Z104478420 [0,2,0,0,0,0|2,0,0]=4 372 B7R0.9 CC(C)(N)CC(=O)N Z1459435491 [0,2,0,0,0,0|2,0,0]=4 373 B7R0.9 CC(C)(N)CC(=O)O Z1255523279 [0,2,0,0,0,0|1,0,0]=3 374 B7R0.9 CC(C)(O)CC(=O)O Z982131798 [0,2,0,0,0,0|2,0,0]=4 375 B7R0.9 CC(F)(F)CC(=O)O Z1205496030 [0,2,0,0,0,0|2,0,0]=4 376 B7R0.9 CS(=O)(=O)CC(=O)O Z295402410 [0,2,0,0,0,0|1,1,0]=4 377 B7R0.9 C[N+](C)(N)CC(=O)[O-] Z56832246 [0,2,0,0,0,0|1,0,1]=4 378 B7R0.9 NC(=O)CS(=O)(=O)N Z1203582027 [0,2,0,0,0,0|1,1,0]=4 379 B7R0.9 NS(=O)(=O)CC(=O)O Z331472332 [0,2,0,0,0,0|0,1,0]=3 380 B7R0.9 O=C(O)CP(=O)(O)O Z277558864 [0,2,0,0,0,0|2,0,0]=4 381 B7R0.16 CC(C(=O)N)C(=O)N Z1203578231 [0,2,0,0,0,0|2,0,0]=4 382 B7R0.16 CC(C(=O)O)C(=O)O Z787653408 [0,2,0,0,0,0|2,0,0]=4 383 B7R0.16 CC(C)C(Br)C(=O)O Z203888738 [0,2,0,0,0,0|2,0,0]=4 384 B7R0.16 CC(C)C(C)C(=O)O Z756391682 [0,2,0,0,0,0|2,0,0]=4 385 B7R0.16 CC(C)C(Cl)C(=O)O Z336080700 [0,2,0,0,0,0|2,0,0]=4 386 B7R0.16 CC(C)C(N)C(=O)O Z57127382 [0,2,0,0,0,0|2,0,0]=4 387 B7R0.16 CC(C)C(S)C(=O)O Z808230896 [0,2,0,0,0,0|2,0,0]=4 388 B7R0.16 CC(C)[C@@H](N)C(=O)O Z813018028 [0,2,0,0,0,0|2,0,0]=4 389 B7R0.16 CC(C)[C@H](N)C(=O)O Z756430564 [0,2,0,0,0,0|2,0,0]=4 390 B7R0.16 CC(N)C(C)C(=O)O Z1198162847 [0,2,0,0,0,0|1,0,0]=3 391 B7R0.16 CC(O)C(C)C(=O)O Z982137146 [0,2,0,0,0,0|2,0,0]=4 392 B7R0.16 C[C@@H](C(=O)O)N(C)C Z1350606494 [0,2,0,0,0,0|2,0,0]=4 393 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O Z1201618669 [0,2,0,0,0,0|2,0,0]=4 394 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Z813019058 [0,2,0,0,0,0|2,0,0]=4 395 B7R0.16 C[C@H](C(=O)O)N(C)C Z1205493968 [0,2,0,0,0,0|2,0,0]=4 396 B7R0.16 C[C@H](O)[C@H](N)C(=O)O Z1162448524 [0,2,0,0,0,0|2,0,0]=4 397 B7R0.16 NC(=O)C(N)C(=O)N Z235333079 [0,2,0,0,0,0|2,0,0]=4 398 B7R0.16 O=C(O)C(O)C(=O)O Z90123595 [0,2,0,0,0,0|2,0,0]=4 399 B7R0.13 C=CC(C)(O)C(=O)O Z1198182953 [0,2,0,0,0,0|2,0,0]=4 400 B7R0.13 CC(Br)(CBr)C(=O)O Z104503534 [0,2,0,0,0,0|2,0,0]=4 401 B7R0.13 CC(C)(C#N)C(=O)O Z426041322 [0,2,0,0,0,0|1,0,1]=4 402 B7R0.13 CC(C)(CF)C(=O)O Z1205495490 [0,2,0,0,0,0|2,0,0]=4 403 B7R0.13 CC(C)(CN)C(=O)N Z431519836 [0,2,0,0,0,0|2,0,0]=4 404 B7R0.13 CC(C)(CN)C(=O)O Z2235387237 [0,2,0,0,0,0|1,0,0]=3 405 B7R0.13 CC(C)(CO)C(=O)O Z997726628 [0,2,0,0,0,0|2,0,0]=4 406 B7R0.13 CC(N)(CN)C(=O)O Z2050725177 [0,2,0,0,0,0|1,0,0]=3 407 B7R0.13 CC(N)(CO)C(=O)O Z1509051726 [0,2,0,0,0,0|2,0,0]=4 408 B7R0.13 CC(O)(CO)C(=O)O Z1205493767 [0,2,0,0,0,0|2,0,0]=4 409 B7R0.13 CCC(C)(Br)C(=O)O Z1198221945 [0,2,0,0,0,0|2,0,0]=4 410 B7R0.13 CCC(C)(C)C(=O)O Z995036360 [0,2,0,0,0,0|2,0,0]=4 411 B7R0.13 CCC(C)(N)C(=O)O Z317024736 [0,2,0,0,0,0|2,0,0]=4 412 B7R0.13 CCC(C)(O)C(=O)O Z788000964 [0,2,0,0,0,0|2,0,0]=4 413 B7R0.13 CNC(C)(C)C(=O)O Z2381576028 [0,2,0,0,0,0|2,0,0]=4 414 B7R0.13 COC(C)(C)C(=O)C Z1216835214 [0,2,0,0,0,0|2,0,0]=4 415 B7R0.13 COC(C)(C)C(=O)O Z803492148 [0,2,0,0,0,0|1,0,0]=3 416 B7R0.13 CSC(C)(C)C(=O)O Z803544000 [0,2,0,0,0,0|1,1,0]=4 417 B7R0.13 NCC(F)(F)C(=O)N Z3006034789 [0,2,0,0,0,0|2,0,0]=4 418 B7R0.15 CCC(C#N)C(=O)O Z1117899421 [0,2,0,0,0,0|1,0,1]=4 419 B7R0.15 CCC(NC)C(=O)O Z818727142 [0,2,0,0,0,0|2,0,0]=4 420 B7R0.15 CCC(OC)C(=O)O Z449367058 [0,2,0,0,0,0|1,0,0]=3 421 B7R0.15 CCC(SC)C(=O)O Z732206700 [0,2,0,0,0,0|1,1,0]=4 422 B7R0.15 CNC(CN)C(=O)O Z1982493964 [0,2,0,0,0,0|1,0,0]=3 423 B7R0.15 COC(CN)C(=O)O Z1603778808 [0,2,0,0,0,0|1,0,0]=3 424 B7R0.15 COC(OC)C(=O)N Z56754520 [0,2,0,0,0,0|2,0,0]=4 425 B7R0.15 NCC(CN)C(=O)O Z5183354524 [0,2,0,0,0,0|1,0,0]=3 426 B7R0.4 C#CCNCC(=O)O Z2513337624 [0,2,0,0,0,0|2,0,0]=4 427 B7R0.4 C#CCOCC(=O)O Z362807246 [0,2,0,0,0,0|1,0,0]=3 428 B7R0.4 C#CCSCC(=O)O Z149151642 [0,2,0,0,0,0|1,1,0]=4 429 B7R0.4 C=CCCCC(=O)O Z1205493561 [0,2,0,0,0,0|2,0,0]=4 430 B7R0.4 C=CCNCC(=O)O Z803145546 [0,2,0,0,0,0|2,0,0]=4 431 B7R0.4 C=CCOCC(=O)O Z362807794 [0,2,0,0,0,0|1,0,0]=3 432 B7R0.4 C=CCSCC(=O)O Z149151274 [0,2,0,0,0,0|1,1,0]=4 433 B7R0.4 CC#CCCC(=O)O Z1205493674 [0,2,0,0,0,0|2,0,0]=4 434 B7R0.4 CC(=O)NCCCN Z295405102 [0,2,0,0,0,0|2,0,0]=4 435 B7R0.4 CCC/C=C/C(=O)O Z104506794 [0,2,0,0,0,0|2,0,0]=4 436 B7R0.4 CCCCCC(=O)O Z104503532 [0,2,0,0,0,0|2,0,0]=4 437 B7R0.4 CCCNCC(=O)O Z744582718 [0,2,0,0,0,0|2,0,0]=4 438 B7R0.4 CCCOCC(=O)O Z406677750 [0,2,0,0,0,0|1,0,0]=3 439 B7R0.4 CCCSCC(=O)O Z228425458 [0,2,0,0,0,0|1,1,0]=4 440 B7R0.4 CCNCCC(=O)N Z2681234913 [0,2,0,0,0,0|2,0,0]=4 441 B7R0.4 CCNCCC(=O)O Z1869802098 [0,2,0,0,0,0|1,0,0]=3 442 B7R0.4 CCOCCC(=O)O Z316258938 [0,2,0,0,0,0|1,0,0]=3 443 B7R0.4 CCSCCC(=O)O Z197206046 [0,2,0,0,0,0|1,1,0]=4 444 B7R0.4 CNCCCC(=O)O Z57043473 [0,2,0,0,0,0|1,0,0]=3 445 B7R0.4 CNCCNC(=O)C Z1456777974 [0,2,0,0,0,0|2,0,0]=4 446 B7R0.4 COCCCC(=O)C Z406376722 [0,2,0,0,0,0|2,0,0]=4 447 B7R0.4 COCCCC(=O)O Z316258912 [0,2,0,0,0,0|1,0,0]=3 448 B7R0.4 COCCNC(=O)N Z56904572 [0,2,0,0,0,0|2,0,0]=4 449 B7R0.4 CSCCCC(=O)O Z54602911 [0,2,0,0,0,0|1,1,0]=4 450 B7R0.4 N#CCCCC(=O)O Z1198152304 [0,2,0,0,0,0|1,0,1]=4 451 B7R0.4 N#CCSCC(=O)O Z19691779 [0,2,0,0,0,0|0,1,1]=4 452 B7R0.4 NC(=O)COCCO Z1198148880 [0,2,0,0,0,0|2,0,0]=4 453 B7R0.4 NCCCCC(=O)N Z1639630947 [0,2,0,0,0,0|2,0,0]=4 454 B7R0.4 NCCCCC(=O)O Z271111992 [0,2,0,0,0,0|1,0,0]=3 455 B7R0.4 NCCCOC(=O)N Z3337481796 [0,2,0,0,0,0|2,0,0]=4 456 B7R0.4 NCCNCC(=O)O Z2692249907 [0,2,0,0,0,0|1,0,0]=3 457 B7R0.4 NCCOCC(=O)N Z1428158847 [0,2,0,0,0,0|1,0,0]=3 458 B7R0.4 NCCOCC(=O)O Z1650039500 [0,2,0,0,0,0|0,0,0]=2 459 B7R0.4 NCCSCC(=O)O Z1381287295 [0,2,0,0,0,0|0,1,0]=3 460 B7R0.4 O=C(O)CCCCBr Z104479696 [0,2,0,0,0,0|2,0,0]=4 461 B7R0.4 O=C(O)CCCCS Z808230828 [0,2,0,0,0,0|2,0,0]=4 462 B7R0.4 O=C(O)CNCCO Z425411352 [0,2,0,0,0,0|2,0,0]=4 463 B7R0.4 O=C([O-])COCCO Z1744715804 [0,2,0,0,0,0|1,0,1]=4 464 B7R0.6 CC(=O)CCC(=O)O Z104477318 [0,2,0,0,0,0|2,0,0]=4 465 B7R0.6 CC(=O)NCC(=O)O Z85886676 [0,2,0,0,0,0|2,0,0]=4 466 B7R0.6 CC(=O)OCC(=S)N Z411884132 [0,2,0,0,0,0|2,0,0]=4 467 B7R0.6 CC(C)CCC(=O)O Z56347204 [0,2,0,0,0,0|2,0,0]=4 468 B7R0.6 CC(C)NCC(=O)O Z359419672 [0,2,0,0,0,0|2,0,0]=4 469 B7R0.6 CC(C)OCC(=O)O Z316259244 [0,2,0,0,0,0|1,0,0]=3 470 B7R0.6 CC(C)SCC(=O)O Z214812600 [0,2,0,0,0,0|1,1,0]=4 471 B7R0.6 CC(N)CCC(=O)O Z1235963367 [0,2,0,0,0,0|1,0,0]=3 472 B7R0.6 CC(O)CCC(=O)O Z838959470 [0,2,0,0,0,0|2,0,0]=4 473 B7R0.6 CN(C)CCC(=O)N Z168912842 [0,2,0,0,0,0|2,0,0]=4 474 B7R0.6 CN(C)CCC(=O)O Z168912830 [0,2,0,0,0,0|1,0,0]=3 475 B7R0.6 CS(=O)CCC(=O)O Z667974346 [0,2,0,0,0,0|1,1,0]=4 476 B7R0.6 N=C(N)NCC(=O)O Z586248684 [0,2,0,0,0,0|1,0,0]=3 477 B7R0.6 N=C(N)SCC(=O)O Z2944342055 [0,2,0,0,0,0|0,1,0]=3 478 B7R0.6 NC(=O)NCC(=O)O Z57009586 [0,2,0,0,0,0|1,0,0]=3 479 B7R0.6 O=C(O)CCC(=O)O Z57127453 [0,2,0,0,0,0|2,0,0]=4 480 B7R0.6 O=C(O)CN[N+](=O)[O-] Z1198158238 [0,2,0,0,0,0|1,0,1]=4 481 B7R0.8 CNCCS(=O)(=O)O Z3989262607 [0,2,0,0,0,0|2,0,0]=4 482 B7R0.8 NCCCS(=O)(=O)O Z1203578094 [0,2,0,0,0,0|2,0,0]=4 483 B5R1.2 O=C1CCO1 Z1089877620 [1,0,0,1,0,0|1,0,0]=3 484 B5R1.2 OC1CNC1 Z1012638850 [1,0,0,1,0,0|1,0,1]=4 485 B5R1.2 OC1COC1 Z1123686553 [1,0,0,1,0,0|1,0,1]=4 486 B5R1.3 OCC1CO1 Z104476180 [1,0,0,1,0,0|1,0,1]=4 487 B5R1.3 OC[C@@H]1CO1 Z1222330631 [1,0,0,1,0,0|1,0,1]=4 488 B5R1.3 OC[C@H]1CO1 Z1222330633 [1,0,0,1,0,0|1,0,1]=4 489 B7R1.2 CC1CC(=O)CN1 Z1509349081 [0,1,0,1,0,0|2,0,0]=4 490 B7R1.2 CC1CC(=O)NN1 Z217165562 [0,1,0,1,0,0|2,0,0]=4 491 B7R1.2 CC1CCC(=O)O1 Z963595138 [0,1,0,1,0,0|2,0,0]=4 492 B7R1.2 CC1CNC(=O)O1 Z1198149952 [0,1,0,1,0,0|2,0,0]=4 493 B7R1.2 CN1CCC(=O)C1 Z415646350 [0,1,0,1,0,0|2,0,0]=4 494 B7R1.2 CN1CCC(=O)N1 Z1618125551 [0,1,0,1,0,0|2,0,0]=4 495 B7R1.2 NC1=CC(=O)CC1 Z1124125496 [0,1,0,1,0,0|2,0,0]=4 496 B7R1.2 NC1=CCC(=O)N1 Z1203591710 [0,1,0,1,0,0|2,0,0]=4 497 B7R1.2 NC1=NC(=O)CS1 Z57104428 [0,1,0,1,0,0|1,1,0]=4 498 B7R1.2 NC1=NCC(=O)N1 Z203038534 [0,1,0,1,0,0|2,0,0]=4 499 B7R1.2 NC1CNC(=O)C1 Z1198329759 [0,1,0,1,0,0|2,0,0]=4 500 B7R1.2 O=C1CC(=O)NN1 Z1278925673 [0,1,0,1,0,0|2,0,0]=4 501 B7R1.2 O=C1CCC(=O)O1 Z57127506 [0,1,0,1,0,0|2,0,0]=4 502 B7R1.2 O=C1COC(=O)N1 Z56762271 [0,1,0,1,0,0|2,0,0]=4 503 B7R1.3 O=C1CCCCO1 Z432085120 [0,1,0,1,0,0|2,0,0]=4 504 B7R1.3 O=C1CCCNC1 Z3063726909 [0,1,0,1,0,0|2,0,0]=4 505 B7R1.3 O=C1CCCNN1 Z1416174508 [0,1,0,1,0,0|2,0,0]=4 506 B7R1.3 O=C1CCNCC1 Z1741959513 [0,1,0,1,0,0|2,0,0]=4 507 B7R1.3 O=C1CNCCN1 Z56968535 [0,1,0,1,0,0|2,0,0]=4 508 B7R1.3 O=C1NCCCO1 Z1198312172 [0,1,0,1,0,0|2,0,0]=4 509 B7R1.3 O=C1NNCCO1 Z2732442016 [0,1,0,1,0,0|2,0,0]=4 510 B7R1.3 OC1CCONC1 Z3325124334 [0,1,0,1,0,0|1,0,1]=4 511 B7R1.4 CC1NCCC1=O Z2733314209 [0,1,0,1,0,0|2,0,0]=4 512 B7R1.4 NC1CCOC1=O Z56921763 [0,1,0,1,0,0|2,0,0]=4 513 B7R1.4 NC1CONC1=O Z336087816 [0,1,0,1,0,0|1,0,1]=4 514 B7R1.4 N[C@@H]1CONC1=O Z1198154206 [0,1,0,1,0,0|1,0,1]=4 515 B7R1.4 N[C@H]1CONC1=O Z1201618622 [0,1,0,1,0,0|1,0,1]=4 516 B7R1.22 O=C(CO)C1CC1 Z1172087188 [0,1,0,1,0,0|2,0,0]=4 517 B7R1.22 O=C(NO)C1CC1 Z59183989 [0,1,0,1,0,0|2,0,0]=4 518 B7R1.12 C[C@@H]1C[C@H]1C(=O)O Z1205493848 [0,1,0,1,0,0|2,0,0]=4 519 B7R1.12 C[C@H]1C[C@@H]1C(=O)O Z1205494110 [0,1,0,1,0,0|2,0,0]=4 520 B7R1.20 O=C(O)CC1CC1 Z234893653 [0,1,0,1,0,0|2,0,0]=4 521 B7R1.18 NC(=O)C1CNC1 Z2754447740 [0,1,0,1,0,0|2,0,0]=4 522 B7R1.18 O=C(O)C1CCC1 Z104472264 [0,1,0,1,0,0|2,0,0]=4 523 B7R1.18 O=C(O)C1CCN1 Z168878270 [0,1,0,1,0,0|1,0,0]=3 524 B7R1.18 O=C(O)C1CNC1 Z1171217434 [0,1,0,1,0,0|1,0,0]=3 525 B7R1.18 O=C(O)C1CSC1 Z1205495555 [0,1,0,1,0,0|1,1,0]=4 526 B7R1.19 CC(=O)C1(CO1)C Z1201620091 [0,1,0,1,0,0|2,0,0]=4 527 B7R1.19 CC1(CC1)C(=O)O Z1205493633 [0,1,0,1,0,0|2,0,0]=4 528 B7R1.19 NC1(CC1)C(=O)O Z235362779 [0,1,0,1,0,0|2,0,0]=4 529 B7R1.19 O=C(O)C1(CC1)O Z216340524 [0,1,0,1,0,0|2,0,0]=4 530 B7R1.14 CC1(CNOC1)O Z3035808330 [0,1,0,1,0,0|1,0,1]=4