0 B4R0.1 C#CC(=O)O Z104493798 [0,0,0,0,0,0|1,0,2]=3 1 B4R0.1 C=C(Br)CN Z600439032 [0,0,0,0,0,0|3,0,0]=3 2 B4R0.1 C=C(Br)CO Z600440434 [0,0,0,0,0,0|3,0,0]=3 3 B4R0.1 C=CC(=C)C Z104474660 [0,0,0,0,0,0|2,0,2]=4 4 B4R0.1 C=CC(=O)O Z57127944 [0,0,0,0,0,0|1,0,2]=3 5 B4R0.1 C=CC(C)N Z1446855743 [0,0,0,0,0,0|1,0,3]=4 6 B4R0.1 CC(=O)C=O Z104495190 [0,0,0,0,0,0|2,0,1]=3 7 B4R0.1 CC(=O)CN Z1262398366 [0,0,0,0,0,0|2,0,0]=2 8 B4R0.1 CC(=O)NN Z58981787 [0,0,0,0,0,0|3,0,0]=3 9 B4R0.1 CC(=O)NO Z59181917 [0,0,0,0,0,0|3,0,0]=3 10 B4R0.1 CC(F)CN Z2941405027 [0,0,0,0,0,0|3,0,1]=4 11 B4R0.1 CC(N)CF Z2096088772 [0,0,0,0,0,0|2,0,1]=3 12 B4R0.1 CC(N)CN Z104474490 [0,0,0,0,0,0|2,0,1]=3 13 B4R0.1 CC(O)CN Z104477092 [0,0,0,0,0,0|2,0,2]=4 14 B4R0.1 CC(O)CO Z106938868 [0,0,0,0,0,0|2,0,2]=4 15 B4R0.1 CCC(=N)N Z1741969146 [0,0,0,0,0,0|1,0,0]=1 16 B4R0.1 CCC(=O)N Z33546482 [0,0,0,0,0,0|0,0,0]=0 17 B4R0.1 CCC(=O)O Z104474154 [0,0,0,0,0,0|1,0,0]=1 18 B4R0.1 CCC(=S)N Z241091446 [0,0,0,0,0,0|0,1,0]=1 19 B4R0.1 CCC(C)N Z104472234 [0,0,0,0,0,0|1,0,1]=2 20 B4R0.1 CC[C@@H](C)O Z1203162396 [0,0,0,0,0,0|1,0,2]=3 21 B4R0.1 CNC(=N)C Z2146515751 [0,0,0,0,0,0|2,0,1]=3 22 B4R0.1 CNC(=O)C Z32016274 [0,0,0,0,0,0|2,0,0]=2 23 B4R0.1 CNC(=O)N Z56932989 [0,0,0,0,0,0|1,0,0]=1 24 B4R0.1 COC(=N)N Z1741976783 [0,0,0,0,0,0|2,0,0]=2 25 B4R0.1 COC(=O)N Z104476722 [0,0,0,0,0,0|1,0,0]=1 26 B4R0.1 CSC(=N)N Z1741980405 [0,0,0,0,0,0|2,0,0]=2 27 B4R0.1 C[C@@H](N)CN Z3234812272 [0,0,0,0,0,0|2,0,1]=3 28 B4R0.1 C[C@@H](N)CO Z346076140 [0,0,0,0,0,0|2,0,1]=3 29 B4R0.1 C[C@@H](O)CO Z1255486379 [0,0,0,0,0,0|2,0,2]=4 30 B4R0.1 C[C@H](N)CN Z1741977335 [0,0,0,0,0,0|2,0,1]=3 31 B4R0.1 C[C@H](O)CN Z1203577967 [0,0,0,0,0,0|2,0,2]=4 32 B4R0.1 C[C@H](O)CO Z1255449993 [0,0,0,0,0,0|2,0,2]=4 33 B4R0.1 ClC=C(Cl)Cl Z104473870 [0,0,0,0,0,0|3,0,1]=4 34 B4R0.1 N=C(N)CCl Z204878288 [0,0,0,0,0,0|2,0,0]=2 35 B4R0.1 N=C(N)CN Z3798800325 [0,0,0,0,0,0|2,0,0]=2 36 B4R0.1 N=C(N)CO Z1259341033 [0,0,0,0,0,0|2,0,0]=2 37 B4R0.1 N=C(N)NN Z1259217988 [0,0,0,0,0,0|3,0,0]=3 38 B4R0.1 NC(=O)CF Z104475768 [0,0,0,0,0,0|1,0,0]=1 39 B4R0.1 NC(=O)CI Z1080376832 [0,0,0,0,0,0|1,0,0]=1 40 B4R0.1 NC(=O)CO Z424788508 [0,0,0,0,0,0|1,0,0]=1 41 B4R0.1 NC(=O)NO Z1203577934 [0,0,0,0,0,0|2,0,0]=2 42 B4R0.1 NCC(=O)N Z1262254285 [0,0,0,0,0,0|1,0,0]=1 43 B4R0.1 NCC(=O)O Z955123660 [0,0,0,0,0,0|2,0,0]=2 44 B4R0.1 NCC(F)F Z1295543893 [0,0,0,0,0,0|3,0,1]=4 45 B4R0.1 NNC(=O)N Z104473922 [0,0,0,0,0,0|2,0,0]=2 46 B4R0.1 O=C(O)CBr Z104473018 [0,0,0,0,0,0|2,0,0]=2 47 B4R0.1 O=C(O)CO Z104473274 [0,0,0,0,0,0|2,0,0]=2 48 B4R0.1 O=[N+]([O-])CBr Z1255485348 [0,0,0,0,0,0|3,0,0]=3 49 B4R0.1 OCC(F)F Z397587054 [0,0,0,0,0,0|3,0,1]=4 50 B3R0.1 C=CCO Z104473976 [1,0,0,0,0,0|2,0,0]=3 51 B3R0.1 I/C=C/I Z2417817184 [1,0,0,0,0,0|2,0,1]=4 52 B3R0.1 N#CCN Z1210869368 [1,0,0,0,0,0|1,0,2]=4 53 B3R0.1 N/C=N/O Z156964716 [1,0,0,0,0,0|2,0,0]=3 54 B3R0.1 NCCF Z1966571823 [1,0,0,0,0,0|1,0,1]=3 55 B3R0.1 NCCN Z104473714 [1,0,0,0,0,0|1,0,1]=3 56 B3R0.1 NCCO Z104473700 [1,0,0,0,0,0|1,0,1]=3 57 B3R0.1 NCCS Z104474494 [1,0,0,0,0,0|1,0,1]=3 58 B3R0.1 OCCS Z104473584 [1,0,0,0,0,0|1,0,2]=4 59 B3R0.2 CC(=O)N Z33546370 [1,0,0,0,0,0|0,0,0]=1 60 B3R0.2 CC(=O)O Z1954803614 [1,0,0,0,0,0|1,0,0]=2 61 B3R0.2 CC(=O)[S-] Z1142554016 [1,0,0,0,0,0|1,0,0]=2 62 B3R0.2 NC(=O)N Z104473900 [1,0,0,0,0,0|1,0,0]=2 63 B5R0.1 C#CCC(=O)O Z295890060 [0,1,0,0,0,0|1,0,1]=3 64 B5R0.1 C#CCC(C)N Z3490223481 [0,1,0,0,0,0|1,0,2]=4 65 B5R0.1 C/C(=N/C#N)/N Z2573128414 [0,1,0,0,0,0|2,0,1]=4 66 B5R0.1 C/C=C/C(=O)O Z104476026 [0,1,0,0,0,0|1,0,1]=3 67 B5R0.1 C=C(C)CCN Z1203582475 [0,1,0,0,0,0|2,0,0]=3 68 B5R0.1 C=CCC(C)N Z1269638561 [0,1,0,0,0,0|1,0,2]=4 69 B5R0.1 CC#CC(=O)N Z1203579284 [0,1,0,0,0,0|0,0,1]=2 70 B5R0.1 CC(=CCN)C Z1827897919 [0,1,0,0,0,0|2,0,1]=4 71 B5R0.1 CC(=O)CCO Z906206900 [0,1,0,0,0,0|1,0,0]=2 72 B5R0.1 CC(C)CCO Z104473558 [0,1,0,0,0,0|2,0,1]=4 73 B5R0.1 CC(N)CC#N Z1267773800 [0,1,0,0,0,0|1,0,2]=4 74 B5R0.1 CC(N)CCO Z385458430 [0,1,0,0,0,0|1,0,1]=3 75 B5R0.1 CC(O)CCN Z802904114 [0,1,0,0,0,0|1,0,2]=4 76 B5R0.1 CC(O)CCO Z104473530 [0,1,0,0,0,0|1,0,2]=4 77 B5R0.1 CCCC(=N)N Z1198394172 [0,1,0,0,0,0|1,0,0]=2 78 B5R0.1 CCCC(=O)N Z33546461 [0,1,0,0,0,0|0,0,0]=1 79 B5R0.1 CCCC(=O)O Z104495380 [0,1,0,0,0,0|1,0,0]=2 80 B5R0.1 CCCC(C)N Z2417819590 [0,1,0,0,0,0|1,0,1]=3 81 B5R0.1 CCNC(=N)N Z2574931373 [0,1,0,0,0,0|1,0,0]=2 82 B5R0.1 CCOC(=N)N Z1741973543 [0,1,0,0,0,0|1,0,0]=2 83 B5R0.1 CCOC(=O)N Z33546369 [0,1,0,0,0,0|0,0,0]=1 84 B5R0.1 CCSC(=N)N Z1708092306 [0,1,0,0,0,0|1,0,0]=2 85 B5R0.1 CN(C)CCF Z5487577684 [0,1,0,0,0,0|3,0,0]=4 86 B5R0.1 CN(C)CCO Z104473552 [0,1,0,0,0,0|3,0,0]=4 87 B5R0.1 CN(C)CCS Z362025514 [0,1,0,0,0,0|3,0,0]=4 88 B5R0.1 CNCC(=O)N Z415678308 [0,1,0,0,0,0|0,0,0]=1 89 B5R0.1 CNCC(=O)O Z104480276 [0,1,0,0,0,0|1,0,0]=2 90 B5R0.1 CNCC(C)C Z951367674 [0,1,0,0,0,0|2,0,1]=4 91 B5R0.1 CNCC(C)N Z1413780485 [0,1,0,0,0,0|1,0,1]=3 92 B5R0.1 CNCC(C)O Z138692700 [0,1,0,0,0,0|1,0,2]=4 93 B5R0.1 CNCC(F)F Z1259341074 [0,1,0,0,0,0|2,0,1]=4 94 B5R0.1 COCC(=N)N Z1258620054 [0,1,0,0,0,0|1,0,0]=2 95 B5R0.1 COCC(=O)N Z33546778 [0,1,0,0,0,0|0,0,0]=1 96 B5R0.1 COCC(=O)O Z104477404 [0,1,0,0,0,0|1,0,0]=2 97 B5R0.1 COCC(C)O Z825742124 [0,1,0,0,0,0|1,0,2]=4 98 B5R0.1 COC[C@@H](C)N Z1270482298 [0,1,0,0,0,0|1,0,1]=3 99 B5R0.1 COC[C@H](C)N Z1270502316 [0,1,0,0,0,0|1,0,1]=3 100 B5R0.1 CS(=O)CC#N Z1198176972 [0,1,0,0,0,0|2,0,1]=4 101 B5R0.1 CS(=O)CCN Z802568576 [0,1,0,0,0,0|2,0,0]=3 102 B5R0.1 CSCC(=N)N Z1459934800 [0,1,0,0,0,0|1,0,0]=2 103 B5R0.1 CSCC(=O)N Z33545668 [0,1,0,0,0,0|0,0,0]=1 104 B5R0.1 CSCC(C)O Z732208306 [0,1,0,0,0,0|1,0,2]=4 105 B5R0.1 CSCS(=O)C Z1255438413 [0,1,0,0,0,0|2,0,0]=3 106 B5R0.1 C[C@@H](N)CCO Z1526453858 [0,1,0,0,0,0|1,0,1]=3 107 B5R0.1 C[C@@H](O)CCN Z1860991703 [0,1,0,0,0,0|1,0,2]=4 108 B5R0.1 N#CCC(=N)N Z1198223505 [0,1,0,0,0,0|1,0,1]=3 109 B5R0.1 N#CCC(=O)N Z56896153 [0,1,0,0,0,0|0,0,1]=2 110 B5R0.1 N#CCC(=O)O Z104476112 [0,1,0,0,0,0|1,0,1]=3 111 B5R0.1 N#CCC(=S)N Z57046941 [0,1,0,0,0,0|0,1,1]=3 112 B5R0.1 N#CNC(=N)N Z203045078 [0,1,0,0,0,0|2,0,1]=4 113 B5R0.1 N=C(N)CCO Z1198394167 [0,1,0,0,0,0|1,0,0]=2 114 B5R0.1 N=C(N)NC=O Z1203578554 [0,1,0,0,0,0|2,0,1]=4 115 B5R0.1 NC(=O)CCO Z431951940 [0,1,0,0,0,0|0,0,0]=1 116 B5R0.1 NCC=C(Cl)Cl Z2469606492 [0,1,0,0,0,0|2,0,1]=4 117 B5R0.1 NCC=C(F)F Z4511316967 [0,1,0,0,0,0|2,0,1]=4 118 B5R0.1 NCCC(=O)N Z415728050 [0,1,0,0,0,0|0,0,0]=1 119 B5R0.1 NCCC(=O)O Z57127544 [0,1,0,0,0,0|1,0,0]=2 120 B5R0.1 NOCC(=O)O Z90662171 [0,1,0,0,0,0|2,0,0]=3 121 B5R0.1 O=C(O)/C=C/I Z2327124440 [0,1,0,0,0,0|1,0,2]=4 122 B5R0.1 O=C(O)CCCl Z203045320 [0,1,0,0,0,0|1,0,0]=2 123 B5R0.1 O=C(O)CCS Z104474322 [0,1,0,0,0,0|1,0,0]=2 124 B5R0.1 O=C(O)CNO Z1205493750 [0,1,0,0,0,0|2,0,0]=3 125 B5R0.3 C#CC(N)CO Z2235790715 [0,1,0,0,0,0|2,0,1]=4 126 B5R0.3 C/N=C(\C)/NC Z1431002714 [0,1,0,0,0,0|2,0,0]=3 127 B5R0.3 C/N=C(\N)/NC Z1089996530 [0,1,0,0,0,0|2,0,0]=3 128 B5R0.3 C/N=C(\N)/SC Z107728770 [0,1,0,0,0,0|1,1,0]=3 129 B5R0.3 C=C(CC)CN Z2238934536 [0,1,0,0,0,0|1,0,0]=2 130 B5R0.3 C=CC(N)CO Z2146514374 [0,1,0,0,0,0|2,0,1]=4 131 B5R0.3 CC(CN)CN Z951173758 [0,1,0,0,0,0|2,0,1]=4 132 B5R0.3 CC(CN)CO Z406342068 [0,1,0,0,0,0|2,0,1]=4 133 B5R0.3 CC/C(=N/O)/N Z241067842 [0,1,0,0,0,0|0,0,1]=2 134 B5R0.3 CCC(=O)CC Z104476878 [0,1,0,0,0,0|1,0,0]=2 135 B5R0.3 CCC(=O)CN Z1203579016 [0,1,0,0,0,0|0,0,0]=1 136 B5R0.3 CCC(=O)NN Z56886418 [0,1,0,0,0,0|0,0,0]=1 137 B5R0.3 CCC(C)CN Z2350903977 [0,1,0,0,0,0|1,0,1]=3 138 B5R0.3 CCC(C)NC Z594038230 [0,1,0,0,0,0|1,0,1]=3 139 B5R0.3 CCC(N)C#N Z445129502 [0,1,0,0,0,0|1,0,1]=3 140 B5R0.3 CCC(N)CN Z1263714131 [0,1,0,0,0,0|1,0,1]=3 141 B5R0.3 CCC(N)CO Z104474862 [0,1,0,0,0,0|0,0,2]=3 142 B5R0.3 CCC(O)C#N Z419078094 [0,1,0,0,0,0|0,0,3]=4 143 B5R0.3 CCC(O)CN Z419084746 [0,1,0,0,0,0|0,0,2]=3 144 B5R0.3 CCC(O)CO Z600450538 [0,1,0,0,0,0|1,0,2]=4 145 B5R0.3 CCN(C)C=O Z1258520870 [0,1,0,0,0,0|2,0,0]=3 146 B5R0.3 CCN(C)N=O Z1198147516 [0,1,0,0,0,0|2,0,0]=3 147 B5R0.3 CC[C@@H](N)C#N Z1203638467 [0,1,0,0,0,0|1,0,1]=3 148 B5R0.3 CC[C@@H](N)CO Z1203162359 [0,1,0,0,0,0|0,0,2]=3 149 B5R0.3 CC[C@H](N)CO Z1203162358 [0,1,0,0,0,0|0,0,2]=3 150 B5R0.3 CNC(=N)NN Z2301534051 [0,1,0,0,0,0|2,0,0]=3 151 B5R0.3 CNC(=O)CCl Z56891219 [0,1,0,0,0,0|1,0,0]=2 152 B5R0.3 CNC(=O)CN Z57981102 [0,1,0,0,0,0|1,0,0]=2 153 B5R0.3 CNC(=O)CO Z431952700 [0,1,0,0,0,0|1,0,0]=2 154 B5R0.3 CNC(=O)CS Z1203730878 [0,1,0,0,0,0|1,0,0]=2 155 B5R0.3 CNC(C)CN Z941154208 [0,1,0,0,0,0|2,0,1]=4 156 B5R0.3 COC(=O)CN Z57042020 [0,1,0,0,0,0|1,0,0]=2 157 B5R0.3 COC(C)CN Z1795817756 [0,1,0,0,0,0|2,0,1]=4 158 B5R0.3 CSC(C)CN Z844632970 [0,1,0,0,0,0|2,0,1]=4 159 B5R0.3 N#CC(N)CO Z2301438409 [0,1,0,0,0,0|2,0,1]=4 160 B5R0.3 N=C(CN)NO Z223781376 [0,1,0,0,0,0|2,0,0]=3 161 B5R0.3 N=C(NN)NN Z90663781 [0,1,0,0,0,0|3,0,0]=4 162 B5R0.3 NC(CO)CO Z1203577940 [0,1,0,0,0,0|1,0,2]=4 163 B5R0.3 NCC(=O)CN Z1198147360 [0,1,0,0,0,0|1,0,0]=2 164 B5R0.3 NCC(F)CN Z2733320873 [0,1,0,0,0,0|2,0,1]=4 165 B5R0.3 NCC(N)CN Z1203578196 [0,1,0,0,0,0|2,0,1]=4 166 B5R0.3 NCC(O)CF Z2311274712 [0,1,0,0,0,0|1,0,2]=4 167 B5R0.3 NNC(=S)NN Z56823019 [0,1,0,0,0,0|2,1,0]=4 168 B5R0.3 O=C(CO)CO Z1255442144 [0,1,0,0,0,0|2,0,0]=3 169 B5R0.3 OC/C(=C/I)/I Z4691071538 [0,1,0,0,0,0|3,0,0]=4 170 B5R0.4 CC(C)(N)CN Z1266854946 [0,1,0,0,0,0|2,0,1]=4 171 B5R0.4 CCC(C)(C)N Z104480062 [0,1,0,0,0,0|1,0,1]=3 172 B5R0.4 CCC(C)(C)O Z104473496 [0,1,0,0,0,0|1,0,2]=4 173 B5R0.4 CCS(=O)(=O)N Z54886646 [0,1,0,0,0,0|1,0,0]=2 174 B5R0.4 CNS(=O)(=O)C Z54078255 [0,1,0,0,0,0|3,0,0]=4 175 B5R0.4 CNS(=O)(=O)N Z56762361 [0,1,0,0,0,0|2,0,0]=3 176 B5R0.4 COS(=O)(=O)C Z133684226 [0,1,0,0,0,0|3,0,0]=4 177 B5R0.4 COS(=O)(=O)N Z300238034 [0,1,0,0,0,0|2,0,0]=3 178 B5R0.4 O=S(=O)([O-])CCl Z104476408 [0,1,0,0,0,0|3,0,0]=4 179 B5R0.5 C=C(Cl)C(=O)O Z1201617183 [0,1,0,0,0,0|1,0,2]=4 180 B5R0.5 CC(=C(Cl)Cl)Cl Z1198148250 [0,1,0,0,0,0|2,0,1]=4 181 B5R0.5 CC(=N)N(C)C Z1428159819 [0,1,0,0,0,0|2,0,1]=4 182 B5R0.5 CC(=O)C(=O)O Z104495240 [0,1,0,0,0,0|1,0,1]=3 183 B5R0.5 CC(=O)C(C)N Z1263529525 [0,1,0,0,0,0|1,0,0]=2 184 B5R0.5 CC(Br)C(=O)O Z57127555 [0,1,0,0,0,0|1,0,0]=2 185 B5R0.5 CC(C)C(=N)N Z381357616 [0,1,0,0,0,0|1,0,0]=2 186 B5R0.5 CC(C)C(=O)N Z57046209 [0,1,0,0,0,0|0,0,0]=1 187 B5R0.5 CC(C)C(=O)O Z104473380 [0,1,0,0,0,0|1,0,0]=2 188 B5R0.5 CC(C)[N+](=O)[O-] Z104474978 [0,1,0,0,0,0|2,0,0]=3 189 B5R0.5 CC(Cl)C(=O)N Z56924427 [0,1,0,0,0,0|0,0,0]=1 190 B5R0.5 CC(Cl)C(=O)O Z147646840 [0,1,0,0,0,0|1,0,0]=2 191 B5R0.5 CC(N)C(=O)N Z54749436 [0,1,0,0,0,0|0,0,0]=1 192 B5R0.5 CC(N)C(=O)O Z57396987 [0,1,0,0,0,0|1,0,0]=2 193 B5R0.5 CC(N)C(C)N Z2335631664 [0,1,0,0,0,0|1,0,1]=3 194 B5R0.5 CC(O)C(=N)N Z2216711526 [0,1,0,0,0,0|1,0,0]=2 195 B5R0.5 CC(O)C(=O)N Z57206008 [0,1,0,0,0,0|0,0,0]=1 196 B5R0.5 CC(O)C(C)O Z104473532 [0,1,0,0,0,0|1,0,2]=4 197 B5R0.5 CC(S)C(=O)O Z104477082 [0,1,0,0,0,0|1,0,0]=2 198 B5R0.5 CN(C)C(=N)N Z1839480548 [0,1,0,0,0,0|2,0,0]=3 199 B5R0.5 CN(C)C(=S)N Z56347524 [0,1,0,0,0,0|1,1,0]=3 200 B5R0.5 C[C@@H](N)C(=O)O Z802692914 [0,1,0,0,0,0|1,0,0]=2 201 B5R0.5 C[C@H](N)C(=O)N Z359371050 [0,1,0,0,0,0|0,0,0]=1 202 B5R0.5 C[C@H](N)C(=O)O Z756424912 [0,1,0,0,0,0|1,0,0]=2 203 B5R0.5 NC(=O)C(F)F Z33546481 [0,1,0,0,0,0|1,0,0]=2 204 B5R0.5 NC(=S)C(=S)N Z56347000 [0,1,0,0,0,0|1,1,1]=4 205 B5R0.5 O=C(O)C(=O)O Z1741978903 [0,1,0,0,0,0|2,0,1]=4 206 B5R0.5 O=C(O)C(Cl)Cl Z104476414 [0,1,0,0,0,0|2,0,0]=3 207 B5R0.5 O=C(O)C(F)F Z104474070 [0,1,0,0,0,0|2,0,0]=3 208 B5R1.2 NC1CCC1 Z1266823158 [0,0,0,1,0,0|1,0,1]=3 209 B5R1.2 NC1COC1 Z317054188 [0,0,0,1,0,0|2,0,1]=4 210 B5R1.2 O=C1CCO1 Z1089877620 [0,0,0,1,0,0|1,0,0]=2 211 B5R1.4 CC1CC1N Z406520774 [0,0,0,1,0,0|1,0,1]=3 212 B5R1.4 C[C@@H]1C[C@H]1N Z993905302 [0,0,0,1,0,0|1,0,1]=3 213 B2R0.1 CNC Z57834054 [2,0,0,0,0,0|1,0,1]=4 214 B4R0.2 C#CCCN Z1267881669 [1,1,0,0,0,0|0,0,2]=4 215 B4R0.2 CC#CCN Z1713595498 [1,1,0,0,0,0|0,0,2]=4 216 B4R0.2 CCCC#N Z238878246 [1,1,0,0,0,0|0,0,2]=4 217 B4R0.2 CCCCN Z104474314 [1,1,0,0,0,0|0,0,1]=3 218 B4R0.2 CCCCO Z104473488 [1,1,0,0,0,0|0,0,2]=4 219 B4R0.2 CCCNN Z415728048 [1,1,0,0,0,0|0,0,1]=3 220 B4R0.2 CNCC#N Z1262250834 [1,1,0,0,0,0|0,0,2]=4 221 B4R0.2 COCC#N Z86023357 [1,1,0,0,0,0|0,0,2]=4 222 B4R0.2 COCCO Z104473522 [1,1,0,0,0,0|0,0,2]=4 223 B4R0.2 CSCCO Z149154880 [1,1,0,0,0,0|0,0,2]=4 224 B4R0.2 N#CCCN Z1895741700 [1,1,0,0,0,0|0,0,2]=4 225 B4R0.2 NC/C=C/Cl Z2941400887 [1,1,0,0,0,0|1,0,1]=4 226 B4R0.2 NCCCN Z104478068 [1,1,0,0,0,0|0,0,1]=3 227 B4R0.2 NCCCO Z56771034 [1,1,0,0,0,0|0,0,1]=3 228 B4R0.3 CS(=O)(=O)C Z417007936 [1,1,0,0,0,0|2,0,0]=4 229 B4R0.3 CS(=O)(=O)F Z361886230 [1,1,0,0,0,0|2,0,0]=4 230 B4R0.3 CS(=O)(=O)N Z54080282 [1,1,0,0,0,0|1,0,0]=3 231 B4R0.3 CS(=O)(=O)O Z281776238 [1,1,0,0,0,0|2,0,0]=4 232 B6R0.1 C#CC(=O)OCC Z104478880 [0,2,0,0,0,0|1,0,0]=3 233 B6R0.1 C#CCC(=O)OC Z1198160347 [0,2,0,0,0,0|1,0,1]=4 234 B6R0.1 C#CCC(N)CC Z969111798 [0,2,0,0,0,0|1,0,1]=4 235 B6R0.1 C=CCC(N)CC Z1981870426 [0,2,0,0,0,0|1,0,1]=4 236 B6R0.1 CC(CN)CCO Z1203581915 [0,2,0,0,0,0|1,0,1]=4 237 B6R0.1 CCC(=O)COC Z825742020 [0,2,0,0,0,0|1,0,0]=3 238 B6R0.1 CCC(C)CNC Z1266854907 [0,2,0,0,0,0|1,0,1]=4 239 B6R0.1 CCC(N)CCO Z1258578227 [0,2,0,0,0,0|0,0,2]=4 240 B6R0.1 CCC(N)COC Z825742260 [0,2,0,0,0,0|0,0,2]=4 241 B6R0.1 CCC(O)CCN Z406342052 [0,2,0,0,0,0|0,0,2]=4 242 B6R0.1 CCCC(=O)CN Z1203579017 [0,2,0,0,0,0|0,0,0]=2 243 B6R0.1 CCCC(=O)NO Z59181937 [0,2,0,0,0,0|0,0,0]=2 244 B6R0.1 CCCC(C)NC Z394693580 [0,2,0,0,0,0|1,0,1]=4 245 B6R0.1 CCCC(N)C#N Z398513448 [0,2,0,0,0,0|1,0,1]=4 246 B6R0.1 CCCC(N)CC Z1642389626 [0,2,0,0,0,0|1,0,1]=4 247 B6R0.1 CCCC(N)CN Z425861040 [0,2,0,0,0,0|1,0,1]=4 248 B6R0.1 CCCC(O)CN Z419084742 [0,2,0,0,0,0|0,0,2]=4 249 B6R0.1 CCCN(C)N=O Z1198147496 [0,2,0,0,0,0|2,0,0]=4 250 B6R0.1 CCNC(=N)NC Z1357224692 [0,2,0,0,0,0|1,0,0]=3 251 B6R0.1 CCNC(=O)CN Z54747476 [0,2,0,0,0,0|0,0,0]=2 252 B6R0.1 CCNC(=O)CO Z431952024 [0,2,0,0,0,0|1,0,0]=3 253 B6R0.1 CCNC(=S)NN Z56965890 [0,2,0,0,0,0|0,1,0]=3 254 B6R0.1 CCNC(C)CC Z2509351098 [0,2,0,0,0,0|1,0,1]=4 255 B6R0.1 CCOC(=N)CC Z3033961910 [0,2,0,0,0,0|0,0,2]=4 256 B6R0.1 CCOC(=O)CN Z594038186 [0,2,0,0,0,0|0,0,0]=2 257 B6R0.1 CCOC(=O)CO Z385458066 [0,2,0,0,0,0|1,0,0]=3 258 B6R0.1 CCOC(=O)NN Z104478458 [0,2,0,0,0,0|0,0,0]=2 259 B6R0.1 CCOC(C)CN Z844631802 [0,2,0,0,0,0|1,0,1]=4 260 B6R0.1 CCS(=O)CCN Z1266854910 [0,2,0,0,0,0|1,0,0]=3 261 B6R0.1 CNC(=O)CC#N Z56945997 [0,2,0,0,0,0|0,0,1]=3 262 B6R0.1 CNC(=O)CCCl Z239813512 [0,2,0,0,0,0|0,0,0]=2 263 B6R0.1 CNC(=O)CCN Z425449754 [0,2,0,0,0,0|0,0,0]=2 264 B6R0.1 CNC(=O)CCO Z975909370 [0,2,0,0,0,0|0,0,0]=2 265 B6R0.1 CNC(C)CCO Z1198266877 [0,2,0,0,0,0|1,0,1]=4 266 B6R0.1 CNC(C)COC Z815264298 [0,2,0,0,0,0|1,0,1]=4 267 B6R0.1 CNC(C)CSC Z995116552 [0,2,0,0,0,0|1,0,1]=4 268 B6R0.1 CNCC(=O)NC Z57981096 [0,2,0,0,0,0|0,0,0]=2 269 B6R0.1 CNCC(=O)OC Z89264972 [0,2,0,0,0,0|1,0,0]=3 270 B6R0.1 COCC(N)C#N Z1601562385 [0,2,0,0,0,0|1,0,1]=4 271 B6R0.1 COCC(N)CN Z1203580237 [0,2,0,0,0,0|1,0,1]=4 272 B6R0.1 COCC(N)CO Z1945984156 [0,2,0,0,0,0|0,0,2]=4 273 B6R0.1 COCC(O)CN Z271097108 [0,2,0,0,0,0|0,0,2]=4 274 B6R0.1 CONC(=O)CCl Z234816732 [0,2,0,0,0,0|1,0,0]=3 275 B6R0.1 CS/C(=N/C#N)/N Z1203578988 [0,2,0,0,0,0|2,0,0]=4 276 B6R0.1 CSCC(C)CN Z732208434 [0,2,0,0,0,0|1,0,1]=4 277 B6R0.1 N#CCC(=O)NN Z104474618 [0,2,0,0,0,0|0,0,1]=3 278 B6R0.1 NCC[C@H](F)CN Z4607150940 [0,2,0,0,0,0|1,0,1]=4 279 B6R0.2 C/C(=C/C(=O)O)/I Z1508917269 [0,2,0,0,0,0|1,0,1]=4 280 B6R0.2 C=C(C)CC(=O)O Z295890066 [0,2,0,0,0,0|1,0,0]=3 281 B6R0.2 CC(=CC(=O)N)C Z33546934 [0,2,0,0,0,0|0,0,1]=3 282 B6R0.2 CC(=CC(=O)O)C Z104480144 [0,2,0,0,0,0|1,0,1]=4 283 B6R0.2 CC(=O)/C=C(/C)\N Z56858245 [0,2,0,0,0,0|1,0,1]=4 284 B6R0.2 CC(=O)CC(C)N Z57329385 [0,2,0,0,0,0|1,0,0]=3 285 B6R0.2 CC(=O)NC(=N)N Z1203578060 [0,2,0,0,0,0|1,0,1]=4 286 B6R0.2 CC(=O)NC(=O)N Z104476284 [0,2,0,0,0,0|0,0,1]=3 287 B6R0.2 CC(C)CC(=N)N Z1346385639 [0,2,0,0,0,0|1,0,0]=3 288 B6R0.2 CC(C)CC(=O)N Z33546511 [0,2,0,0,0,0|0,0,0]=2 289 B6R0.2 CC(C)CC(=O)O Z104474910 [0,2,0,0,0,0|1,0,0]=3 290 B6R0.2 CC(C)NC(=N)N Z1650168329 [0,2,0,0,0,0|1,0,0]=3 291 B6R0.2 CC(C)NC(=O)N Z56887677 [0,2,0,0,0,0|0,0,0]=2 292 B6R0.2 CC(C)NC(=S)N Z56979374 [0,2,0,0,0,0|0,1,0]=3 293 B6R0.2 CC(N)CC(=O)N Z594220690 [0,2,0,0,0,0|0,0,0]=2 294 B6R0.2 CC(N)CC(=O)O Z147647144 [0,2,0,0,0,0|1,0,0]=3 295 B6R0.2 CC(N)CS(=O)C Z1238793449 [0,2,0,0,0,0|1,0,1]=4 296 B6R0.2 CN(C)CC(=O)N Z54750057 [0,2,0,0,0,0|0,0,0]=2 297 B6R0.2 CN(C)CC(=O)O Z235580496 [0,2,0,0,0,0|1,0,0]=3 298 B6R0.2 CS(=O)CC(=O)N Z1203581973 [0,2,0,0,0,0|0,0,0]=2 299 B6R0.2 C[C@H](N)CC(=O)O Z1741969208 [0,2,0,0,0,0|1,0,0]=3 300 B6R0.2 N=C(N)CC(=N)N Z1357774279 [0,2,0,0,0,0|1,0,1]=4 301 B6R0.2 N=C(N)CC(=O)N Z104480060 [0,2,0,0,0,0|0,0,1]=3 302 B6R0.2 NC(=O)CC(=O)N Z104473780 [0,2,0,0,0,0|0,0,1]=3 303 B6R0.2 NC(=O)CC(=O)O Z963467736 [0,2,0,0,0,0|0,0,1]=3 304 B6R0.2 NC(=O)NC(=O)N Z57206006 [0,2,0,0,0,0|1,0,1]=4 305 B6R0.2 O=C(O)CC(=O)O Z57965450 [0,2,0,0,0,0|1,0,1]=4 306 B6R0.3 C#CC(=O)N(C)C Z1509741471 [0,2,0,0,0,0|0,0,2]=4 307 B6R0.3 C#CC(N)C(C)C Z1982493902 [0,2,0,0,0,0|1,0,1]=4 308 B6R0.3 C#C[C@@H](N)C(C)C Z4351247948 [0,2,0,0,0,0|1,0,1]=4 309 B6R0.3 C=CC(N)C(=O)O Z3244810526 [0,2,0,0,0,0|1,0,1]=4 310 B6R0.3 CC(=C(F)CN)C Z1203639272 [0,2,0,0,0,0|1,0,1]=4 311 B6R0.3 CC(C#N)C(=O)O Z852759720 [0,2,0,0,0,0|1,0,0]=3 312 B6R0.3 CC(C)C(=O)NN Z56926537 [0,2,0,0,0,0|0,0,0]=2 313 B6R0.3 CC(C)C(C)CN Z415654990 [0,2,0,0,0,0|1,0,1]=4 314 B6R0.3 CC(C)C(N)C#N Z1266854874 [0,2,0,0,0,0|1,0,1]=4 315 B6R0.3 CC(C)C(N)CN Z1266933925 [0,2,0,0,0,0|1,0,1]=4 316 B6R0.3 CC(C)C(O)CN Z1255523288 [0,2,0,0,0,0|0,0,2]=4 317 B6R0.3 CC(C)N(C)C=O Z1258520821 [0,2,0,0,0,0|2,0,0]=4 318 B6R0.3 CC(C)[C@@H](N)C#N Z1695797928 [0,2,0,0,0,0|1,0,1]=4 319 B6R0.3 CC(C)[C@H](N)C#N Z1708090079 [0,2,0,0,0,0|1,0,1]=4 320 B6R0.3 CC(C)[C@H](N)CO Z1741982893 [0,2,0,0,0,0|0,0,2]=4 321 B6R0.3 CC(CN)C(=O)O Z431542704 [0,2,0,0,0,0|1,0,0]=3 322 B6R0.3 CC(CO)C(=O)O Z431541400 [0,2,0,0,0,0|1,0,0]=3 323 B6R0.3 CC(N)C(C)CO Z1203581847 [0,2,0,0,0,0|1,0,1]=4 324 B6R0.3 CC(O)C(N)CN Z1250080890 [0,2,0,0,0,0|1,0,1]=4 325 B6R0.3 CCC(C)C(=N)N Z823287482 [0,2,0,0,0,0|1,0,0]=3 326 B6R0.3 CCC(C)C(=O)N Z270978420 [0,2,0,0,0,0|0,0,0]=2 327 B6R0.3 CCC(C)C(=O)O Z237374874 [0,2,0,0,0,0|1,0,0]=3 328 B6R0.3 CCC(C)C(C)N Z335455612 [0,2,0,0,0,0|1,0,1]=4 329 B6R0.3 CCC(N)C(=O)O Z104495144 [0,2,0,0,0,0|0,0,1]=3 330 B6R0.3 CCC(N)C(C)C Z823287438 [0,2,0,0,0,0|1,0,1]=4 331 B6R0.3 CCC(O)C(=O)N Z965049008 [0,2,0,0,0,0|0,0,0]=2 332 B6R0.3 CCC(O)C(=O)O Z246073650 [0,2,0,0,0,0|1,0,0]=3 333 B6R0.3 CCN(C)C(=N)N Z1718490393 [0,2,0,0,0,0|1,0,0]=3 334 B6R0.3 CC[C@@H](N)C(=O)O Z904976986 [0,2,0,0,0,0|0,0,1]=3 335 B6R0.3 CC[C@H](C)C(=O)O Z1205493564 [0,2,0,0,0,0|1,0,0]=3 336 B6R0.3 CC[C@H](N)C(=O)O Z1741965569 [0,2,0,0,0,0|0,0,1]=3 337 B6R0.3 CN(C)C(=N)CN Z220638406 [0,2,0,0,0,0|2,0,0]=4 338 B6R0.3 CN(C)C(=O)CN Z54751082 [0,2,0,0,0,0|1,0,0]=3 339 B6R0.3 CN(C)C(=O)CO Z431952018 [0,2,0,0,0,0|1,0,0]=3 340 B6R0.3 CN(N=O)C(=O)N Z104475776 [0,2,0,0,0,0|1,0,0]=3 341 B6R0.3 CNC(=N)N(C)C Z3380814034 [0,2,0,0,0,0|2,0,0]=4 342 B6R0.3 CNC(=O)C(C)Cl Z104346638 [0,2,0,0,0,0|0,0,0]=2 343 B6R0.3 CNC(=O)C(C)N Z105197440 [0,2,0,0,0,0|0,0,0]=2 344 B6R0.3 CNC(=O)C(C)O Z431951884 [0,2,0,0,0,0|0,0,0]=2 345 B6R0.3 CNC(=O)C(F)F Z32016385 [0,2,0,0,0,0|1,0,0]=3 346 B6R0.3 CNC(=O)[C@@H](C)N Z1346385420 [0,2,0,0,0,0|0,0,0]=2 347 B6R0.3 CNC(=O)[C@H](C)N Z1449756238 [0,2,0,0,0,0|0,0,0]=2 348 B6R0.3 CNC(C)C(=O)O Z1278590830 [0,2,0,0,0,0|1,0,0]=3 349 B6R0.3 CNC(C)C(C)C Z139701846 [0,2,0,0,0,0|1,0,1]=4 350 B6R0.3 CN[C@@H](C)C(=O)N Z2143576643 [0,2,0,0,0,0|0,0,0]=2 351 B6R0.3 COC(=N)C(C)C Z2944341356 [0,2,0,0,0,0|0,0,2]=4 352 B6R0.3 COC(=O)C(=N)N Z1198220825 [0,2,0,0,0,0|1,0,0]=3 353 B6R0.3 COC(=O)C(C)N Z56968898 [0,2,0,0,0,0|1,0,0]=3 354 B6R0.3 COC(C)C(=N)N Z1365534351 [0,2,0,0,0,0|1,0,0]=3 355 B6R0.3 COC(C)C(=O)C Z447898138 [0,2,0,0,0,0|1,0,0]=3 356 B6R0.3 COC(C)C(=O)N Z223645218 [0,2,0,0,0,0|0,0,0]=2 357 B6R0.3 COC(C)C(=O)O Z316258898 [0,2,0,0,0,0|1,0,0]=3 358 B6R0.3 COC(C)[C@@H](C)N Z2160914955 [0,2,0,0,0,0|1,0,1]=4 359 B6R0.3 COC(C)[C@H](C)N Z1795817829 [0,2,0,0,0,0|1,0,1]=4 360 B6R0.3 CSC(C)C(=N)N Z5622504221 [0,2,0,0,0,0|1,0,0]=3 361 B6R0.3 CSC(C)C(=O)O Z149191750 [0,2,0,0,0,0|1,0,0]=3 362 B6R0.3 N#CC(Br)C(=O)N Z431988688 [0,2,0,0,0,0|0,0,1]=3 363 B6R0.3 NC(CO)C(=O)O Z57396986 [0,2,0,0,0,0|1,0,0]=3 364 B6R0.3 NC(CS)C(=O)O Z966690626 [0,2,0,0,0,0|1,0,0]=3 365 B6R0.3 NCC(N)C(=O)O Z2465863279 [0,2,0,0,0,0|1,0,0]=3 366 B6R0.3 NCC(O)C(=O)N Z1889902538 [0,2,0,0,0,0|0,0,0]=2 367 B6R0.3 NC[C@@H](F)C(=O)O Z2695741427 [0,2,0,0,0,0|1,0,0]=3 368 B6R0.3 NNC(=O)C(=O)O Z3068042919 [0,2,0,0,0,0|1,0,1]=4 369 B6R0.3 N[C@@H](CO)C(=O)O Z756440058 [0,2,0,0,0,0|1,0,0]=3 370 B6R0.3 N[C@@H](CS)C(=O)O Z760035162 [0,2,0,0,0,0|1,0,0]=3 371 B6R0.3 N[C@H](CO)C(=O)O Z1070067572 [0,2,0,0,0,0|1,0,0]=3 372 B6R0.3 O=C(O)C(=O)CBr Z1079181768 [0,2,0,0,0,0|1,0,1]=4 373 B6R0.4 C#CCCC(=O)O Z295890062 [0,2,0,0,0,0|1,0,0]=3 374 B6R0.4 C#CCNC(=N)N Z1737940712 [0,2,0,0,0,0|1,0,1]=4 375 B6R0.4 C#CCNC(=O)C Z220957448 [0,2,0,0,0,0|1,0,1]=4 376 B6R0.4 C#CCNC(=O)N Z198194920 [0,2,0,0,0,0|0,0,1]=3 377 B6R0.4 C#CCOC(=O)N Z1203578973 [0,2,0,0,0,0|0,0,1]=3 378 B6R0.4 C#CCSC(=N)N Z2805877169 [0,2,0,0,0,0|1,0,1]=4 379 B6R0.4 C=CCCC(=O)C Z406376894 [0,2,0,0,0,0|1,0,0]=3 380 B6R0.4 C=CCCC(=O)O Z995028722 [0,2,0,0,0,0|1,0,0]=3 381 B6R0.4 C=CCCC(C)N Z3681295487 [0,2,0,0,0,0|1,0,1]=4 382 B6R0.4 C=CCNC(=O)C Z32064466 [0,2,0,0,0,0|1,0,1]=4 383 B6R0.4 C=CCNC(=O)N Z56904662 [0,2,0,0,0,0|0,0,1]=3 384 B6R0.4 C=CCNC(=S)N Z56911918 [0,2,0,0,0,0|0,1,1]=4 385 B6R0.4 CC#CCC(C)N Z975788700 [0,2,0,0,0,0|1,0,1]=4 386 B6R0.4 CC(=O)CCC#N Z1251352415 [0,2,0,0,0,0|1,0,0]=3 387 B6R0.4 CC(=O)NCCCl Z57983106 [0,2,0,0,0,0|1,0,0]=3 388 B6R0.4 CC(=O)OCCN Z1973465551 [0,2,0,0,0,0|1,0,0]=3 389 B6R0.4 CC(N)CCCN Z2230911100 [0,2,0,0,0,0|1,0,1]=4 390 B6R0.4 CC(N)CCCO Z1203578676 [0,2,0,0,0,0|1,0,1]=4 391 B6R0.4 CC/C=C/C(=O)O Z2311573931 [0,2,0,0,0,0|1,0,0]=3 392 B6R0.4 CCC#CC(=O)O Z1205493735 [0,2,0,0,0,0|1,0,0]=3 393 B6R0.4 CCCCC(=N)N Z1723418909 [0,2,0,0,0,0|1,0,0]=3 394 B6R0.4 CCCCC(=O)N Z104476278 [0,2,0,0,0,0|0,0,0]=2 395 B6R0.4 CCCCC(=O)O Z104473312 [0,2,0,0,0,0|1,0,0]=3 396 B6R0.4 CCCCC(C)N Z3300506318 [0,2,0,0,0,0|1,0,1]=4 397 B6R0.4 CCCNC(=O)C Z33030314 [0,2,0,0,0,0|1,0,0]=3 398 B6R0.4 CCCNC(=S)N Z56930715 [0,2,0,0,0,0|0,1,0]=3 399 B6R0.4 CCCOC(=O)N Z1198148877 [0,2,0,0,0,0|0,0,0]=2 400 B6R0.4 CCNCC(=O)N Z1459435506 [0,2,0,0,0,0|0,0,0]=2 401 B6R0.4 CCNCC(=O)O Z744593094 [0,2,0,0,0,0|1,0,0]=3 402 B6R0.4 CCOCC(=O)O Z104495232 [0,2,0,0,0,0|1,0,0]=3 403 B6R0.4 CCOCC(C)N Z839575202 [0,2,0,0,0,0|1,0,1]=4 404 B6R0.4 CCSCC(C)N Z1203641186 [0,2,0,0,0,0|1,0,1]=4 405 B6R0.4 CNCCC(=O)C Z1536943318 [0,2,0,0,0,0|1,0,0]=3 406 B6R0.4 COCCC(=N)N Z1592042674 [0,2,0,0,0,0|1,0,0]=3 407 B6R0.4 COCCC(=O)C Z362119682 [0,2,0,0,0,0|1,0,0]=3 408 B6R0.4 COCCC(=O)N Z394696458 [0,2,0,0,0,0|0,0,0]=2 409 B6R0.4 COCCC(=O)O Z285184634 [0,2,0,0,0,0|1,0,0]=3 410 B6R0.4 COCCC(C)N Z361881180 [0,2,0,0,0,0|1,0,1]=4 411 B6R0.4 CS/C=C/C(=O)O Z1868430572 [0,2,0,0,0,0|1,0,1]=4 412 B6R0.4 CSCCC(=N)N Z1266823407 [0,2,0,0,0,0|1,0,0]=3 413 B6R0.4 CSCCC(=O)O Z54719251 [0,2,0,0,0,0|1,0,0]=3 414 B6R0.4 N#CCCC(=N)N Z3771050569 [0,2,0,0,0,0|1,0,0]=3 415 B6R0.4 N#CCCC(=O)N Z57160408 [0,2,0,0,0,0|0,0,0]=2 416 B6R0.4 N#CCNC(=O)N Z600498544 [0,2,0,0,0,0|0,0,1]=3 417 B6R0.4 N=C(N)NCCN Z2235813444 [0,2,0,0,0,0|1,0,0]=3 418 B6R0.4 N=C(N)NCCO Z911465228 [0,2,0,0,0,0|1,0,0]=3 419 B6R0.4 N=C(N)SCCO Z57111959 [0,2,0,0,0,0|1,0,0]=3 420 B6R0.4 NC(=O)CCCO Z1203578394 [0,2,0,0,0,0|0,0,0]=2 421 B6R0.4 NC(=O)NCCF Z1203582184 [0,2,0,0,0,0|0,0,0]=2 422 B6R0.4 NC(=O)OCCO Z1198158440 [0,2,0,0,0,0|0,0,0]=2 423 B6R0.4 NCCCC(=O)N Z398513418 [0,2,0,0,0,0|0,0,0]=2 424 B6R0.4 NCCCC(=O)O Z104475620 [0,2,0,0,0,0|1,0,0]=3 425 B6R0.4 NCCCS(=O)O Z1203579399 [0,2,0,0,0,0|2,0,0]=4 426 B6R0.4 NCCNC(=O)N Z1268152381 [0,2,0,0,0,0|0,0,0]=2 427 B6R0.4 NCCOC(=O)N Z1587257433 [0,2,0,0,0,0|0,0,0]=2 428 B6R0.4 O=C(O)/C=C/CO Z3178016098 [0,2,0,0,0,0|1,0,1]=4 429 B6R0.4 O=C(O)C#CCO Z1198169479 [0,2,0,0,0,0|1,0,1]=4 430 B6R0.4 O=C(O)CCCS Z147642510 [0,2,0,0,0,0|1,0,0]=3 431 B6R0.5 CC(C)(N)CCF Z4297373689 [0,2,0,0,0,0|1,0,1]=4 432 B6R0.5 CC(C)(N)CCN Z2218555716 [0,2,0,0,0,0|1,0,1]=4 433 B6R0.5 CC(C)(N)CCO Z1198183553 [0,2,0,0,0,0|1,0,1]=4 434 B6R0.5 CCCC(C)(C)N Z1262250787 [0,2,0,0,0,0|1,0,1]=4 435 B6R0.5 CCNS(=O)(=O)C Z53825320 [0,2,0,0,0,0|2,0,0]=4 436 B6R0.5 CCOS(=O)(=O)N Z2751120716 [0,2,0,0,0,0|1,0,0]=3 437 B6R0.5 COCC(C)(C)N Z1258578421 [0,2,0,0,0,0|1,0,1]=4 438 B6R0.5 CS(=O)(=O)CCN Z265638750 [0,2,0,0,0,0|2,0,0]=4 439 B6R0.5 NCCS(=O)(=O)N Z432066942 [0,2,0,0,0,0|1,0,0]=3 440 B6R0.5 NCCS(=O)(=O)O Z248489432 [0,2,0,0,0,0|2,0,0]=4 441 B6R0.5 NS(=O)(=O)CCO Z1267897807 [0,2,0,0,0,0|1,0,0]=3 442 B6R0.5 O=S(=O)(Cl)CCCl Z56965859 [0,2,0,0,0,0|2,0,0]=4 443 B6R0.5 O=S(=O)([O-])CCS Z594284202 [0,2,0,0,0,0|2,0,0]=4 444 B6R0.8 C=CC(C)(N)CC Z3042074270 [0,2,0,0,0,0|1,0,1]=4 445 B6R0.8 C=CS(=O)(=O)CC Z448248158 [0,2,0,0,0,0|2,0,0]=4 446 B6R0.8 CCC(C)(C)NC Z335250498 [0,2,0,0,0,0|1,0,1]=4 447 B6R0.8 CCC(C)(N)CC Z1267881628 [0,2,0,0,0,0|1,0,1]=4 448 B6R0.8 CCC(C)(N)CN Z425861002 [0,2,0,0,0,0|1,0,1]=4 449 B6R0.8 CCC(C)(N)CO Z734150850 [0,2,0,0,0,0|0,0,2]=4 450 B6R0.8 CCC(C)(O)CN Z419085064 [0,2,0,0,0,0|0,0,2]=4 451 B6R0.9 C#CC(CC)CN Z5851994475 [0,2,0,0,0,0|1,0,1]=4 452 B6R0.9 C/N=C(/NC)\SC Z107728778 [0,2,0,0,0,0|1,1,0]=4 453 B6R0.9 CCC(C#N)NC Z2472860014 [0,2,0,0,0,0|1,0,1]=4 454 B6R0.9 CCC(CC)NC Z1262254286 [0,2,0,0,0,0|1,0,1]=4 455 B6R0.9 CCC(CN)OC Z2168541798 [0,2,0,0,0,0|0,0,2]=4 456 B6R0.9 CCN(CC)N=O Z1255485632 [0,2,0,0,0,0|2,0,0]=4 457 B6R0.9 CN=C(NC)NC Z1089996514 [0,2,0,0,0,0|2,0,0]=4 458 B6R0.9 CNC(=NN)NC Z1601562190 [0,2,0,0,0,0|2,0,0]=4 459 B6R0.7 CC(=O)C(C)(C)O Z939661728 [0,2,0,0,0,0|1,0,0]=3 460 B6R0.7 CC(C)(Br)C(=O)N Z1255458262 [0,2,0,0,0,0|0,0,0]=2 461 B6R0.7 CC(C)(C)C(=N)N Z56771178 [0,2,0,0,0,0|1,0,0]=3 462 B6R0.7 CC(C)(C)C(=O)N Z56895677 [0,2,0,0,0,0|0,0,0]=2 463 B6R0.7 CC(C)(C)C(=S)N Z278180216 [0,2,0,0,0,0|0,1,0]=3 464 B6R0.7 CC(C)(F)C(=O)O Z1201622349 [0,2,0,0,0,0|1,0,0]=3 465 B6R0.7 CC(C)(N)C(=O)N Z752371206 [0,2,0,0,0,0|0,0,0]=2 466 B6R0.7 CC(C)(N)C(=O)O Z317024776 [0,2,0,0,0,0|1,0,0]=3 467 B6R0.7 CC(C)(O)C(=N)N Z3244745533 [0,2,0,0,0,0|1,0,0]=3 468 B6R0.7 CC(C)C(C)(C)N Z1270446314 [0,2,0,0,0,0|1,0,1]=4 469 B6R0.7 CC(C)S(=O)(=O)N Z599618876 [0,2,0,0,0,0|1,0,0]=3 470 B6R0.7 CC(Cl)(Cl)C(=O)O Z1205493591 [0,2,0,0,0,0|1,0,0]=3 471 B6R0.7 CC(N)C(C)(C)F Z3487099771 [0,2,0,0,0,0|1,0,1]=4 472 B6R0.7 CC(N)C(C)(F)F Z2234631218 [0,2,0,0,0,0|1,0,1]=4 473 B6R0.7 CC(O)C(C)(C)N Z3688848535 [0,2,0,0,0,0|1,0,1]=4 474 B6R0.7 CC(O)S(=O)(=O)[O-] Z1198151272 [0,2,0,0,0,0|2,0,0]=4 475 B6R0.7 CN(C)S(=O)(=O)N Z300114482 [0,2,0,0,0,0|2,0,0]=4 476 B6R0.7 N=C(N)C(Cl)(Cl)Cl Z87001302 [0,2,0,0,0,0|2,0,0]=4 477 B6R0.7 NC(=O)C(Cl)(Cl)Cl Z104473774 [0,2,0,0,0,0|1,0,0]=3 478 B6R0.7 NS(=O)(=O)C(F)F Z335450076 [0,2,0,0,0,0|2,0,0]=4 479 B6R0.7 O=C(O)C(Cl)(Cl)Cl Z104473288 [0,2,0,0,0,0|2,0,0]=4 480 B6R0.7 O=C(O)C(F)(F)Br Z328621122 [0,2,0,0,0,0|2,0,0]=4 481 B6R0.7 O=C(O)C(F)(F)Cl Z1270446583 [0,2,0,0,0,0|2,0,0]=4 482 B6R0.7 O=C(O)C(F)(F)F Z1834265899 [0,2,0,0,0,0|2,0,0]=4 483 B6R0.7 O=C([O-])C(F)(Cl)Cl Z56772166 [0,2,0,0,0,0|2,0,0]=4 484 B6R1.2 C=C1CCNC1 Z3019986853 [0,1,0,1,0,0|1,0,0]=3 485 B6R1.2 C=C1CNOC1 Z3037884222 [0,1,0,1,0,0|2,0,0]=4 486 B6R1.2 CC1=CCNC1 Z1203734447 [0,1,0,1,0,0|1,0,1]=4 487 B6R1.2 CC1=NCCN1 Z204020260 [0,1,0,1,0,0|1,0,0]=3 488 B6R1.2 CC1=NCCS1 Z104480256 [0,1,0,1,0,0|1,0,1]=4 489 B6R1.2 CC1CCCN1 Z1274177652 [0,1,0,1,0,0|1,0,1]=4 490 B6R1.2 CC1CCNC1 Z729771722 [0,1,0,1,0,0|1,0,1]=4 491 B6R1.2 FC1CCNC1 Z1139751347 [0,1,0,1,0,0|1,0,1]=4 492 B6R1.2 N=C1CCCN1 Z204007506 [0,1,0,1,0,0|1,0,0]=3 493 B6R1.2 NC1=NCCO1 Z336087916 [0,1,0,1,0,0|0,0,1]=3 494 B6R1.2 NC1=NNCC1 Z1569708704 [0,1,0,1,0,0|1,0,0]=3 495 B6R1.2 NC1C=CCC1 Z2679312470 [0,1,0,1,0,0|1,0,1]=4 496 B6R1.2 NC1CCOC1 Z802544198 [0,1,0,1,0,0|0,0,2]=4 497 B6R1.2 NC1CCSC1 Z1267885911 [0,1,0,1,0,0|0,1,1]=4 498 B6R1.2 N[C@@H]1C=CCC1 Z1203585093 [0,1,0,1,0,0|1,0,1]=4 499 B6R1.2 O=C1C=CCO1 Z1219048777 [0,1,0,1,0,0|1,0,1]=4 500 B6R1.2 O=C1C=CNN1 Z1198154338 [0,1,0,1,0,0|0,0,2]=4 501 B6R1.2 O=C1C=CSN1 Z1741980421 [0,1,0,1,0,0|0,0,2]=4 502 B6R1.2 O=C1CCCN1 Z104472846 [0,1,0,1,0,0|0,0,0]=2 503 B6R1.2 O=C1CCNC1 Z1741976513 [0,1,0,1,0,0|0,0,0]=2 504 B6R1.2 O=C1CCNN1 Z2935001239 [0,1,0,1,0,0|0,0,0]=2 505 B6R1.2 O=C1CCSC1 Z104495638 [0,1,0,1,0,0|1,0,0]=3 506 B6R1.2 O=C1NC=CN1 Z1198148260 [0,1,0,1,0,0|0,0,2]=4 507 B6R1.2 O=C1NC=CS1 Z445210514 [0,1,0,1,0,0|0,0,2]=4 508 B6R1.2 O=C1NCCN1 Z104494954 [0,1,0,1,0,0|0,0,0]=2 509 B6R1.2 O=C1NCCO1 Z104474784 [0,1,0,1,0,0|0,0,0]=2 510 B6R1.2 O=C1NCCS1 Z55928860 [0,1,0,1,0,0|0,0,0]=2 511 B6R1.2 O=C1OCCO1 Z1172235744 [0,1,0,1,0,0|1,0,0]=3 512 B6R1.2 O=S1CCCC1 Z278052312 [0,1,0,1,0,0|2,0,0]=4 513 B6R1.2 O[C@@H]1CCNC1 Z1263714129 [0,1,0,1,0,0|0,0,2]=4 514 B6R1.2 O[C@H]1CCNC1 Z1263714116 [0,1,0,1,0,0|0,0,2]=4 515 B6R1.2 SC1=NCCN1 Z104497392 [0,1,0,1,0,0|0,1,0]=3 516 B6R1.5 CC1CC(C1)N Z1357823942 [0,1,0,1,0,0|1,0,1]=4 517 B6R1.5 CC1CC(N1)C Z2143576622 [0,1,0,1,0,0|1,0,1]=4 518 B6R1.5 CN1CC(C1)N Z1741969265 [0,1,0,1,0,0|1,0,1]=4 519 B6R1.5 NC1CC(C1)N Z1511513968 [0,1,0,1,0,0|1,0,1]=4 520 B6R1.5 N[C@H]1C[C@@H](C1)N Z3244521251 [0,1,0,1,0,0|1,0,1]=4 521 B6R1.5 N[C@H]1C[C@H](C1)F Z3015579885 [0,1,0,1,0,0|1,0,1]=4 522 B6R1.5 N[C@H]1C[C@H](C1)O Z1416282421 [0,1,0,1,0,0|1,0,1]=4 523 B6R1.8 C=C1CC1CN Z3454021936 [0,1,0,1,0,0|2,0,0]=4 524 B6R1.8 CC1CC1C=O Z1079442440 [0,1,0,1,0,0|1,0,1]=4 525 B6R1.8 CC1CC1CN Z415636622 [0,1,0,1,0,0|1,0,1]=4 526 B6R1.8 C[C@H]1C[C@@H]1C=O Z1511765506 [0,1,0,1,0,0|1,0,1]=4 527 B6R1.8 C[C@H]1C[C@H]1C=O Z1511760860 [0,1,0,1,0,0|1,0,1]=4 528 B6R1.8 N[C@@H]1C[C@H]1CF Z3085640372 [0,1,0,1,0,0|1,0,1]=4 529 B6R1.9 CC1(CC1N)C Z1259335876 [0,1,0,1,0,0|1,0,1]=4 530 B6R1.10 CC1(CCC1)N Z1741969618 [0,1,0,1,0,0|1,0,1]=4 531 B6R1.10 CC1(CCN1)C Z1198749898 [0,1,0,1,0,0|1,0,1]=4 532 B6R1.10 O=S1(=O)CCN1 Z415933552 [0,1,0,1,0,0|1,0,0]=3 533 B6R1.11 C=C(Cl)C1CO1 Z2574917304 [0,1,0,1,0,0|2,0,0]=4 534 B6R1.11 CC(N)C1CC1 Z89283349 [0,1,0,1,0,0|1,0,1]=4 535 B6R1.11 N=C(N)C1CC1 Z935140732 [0,1,0,1,0,0|1,0,0]=3 536 B6R1.11 O=S([O-])C1CC1 Z1741965693 [0,1,0,1,0,0|2,0,0]=4 537 B6R1.4 CC1CCC1N Z2082999653 [0,1,0,1,0,0|1,0,1]=4 538 B6R1.6 CCC1CNC1 Z1203733931 [0,1,0,1,0,0|1,0,1]=4 539 B6R1.6 CNC1CCC1 Z1263820270 [0,1,0,1,0,0|1,0,1]=4 540 B6R1.6 NCC1CCC1 Z381061564 [0,1,0,1,0,0|1,0,1]=4 541 B6R1.6 O=CC1CCC1 Z1079442452 [0,1,0,1,0,0|1,0,1]=4 542 B6R1.7 C#CC1(CC1)N Z1203653659 [0,1,0,1,0,0|1,0,1]=4 543 B6R1.7 CC1(CC1)C=O Z1263714317 [0,1,0,1,0,0|1,0,1]=4 544 B6R1.7 CC1(CC1)CN Z1335657802 [0,1,0,1,0,0|1,0,1]=4 545 B6R1.7 CCC1(CC1)N Z2234631229 [0,1,0,1,0,0|1,0,1]=4 546 B6R1.7 CNC1(CC1)C Z2310723089 [0,1,0,1,0,0|1,0,1]=4 547 B6R1.7 N#CC1(CC1)N Z1741972043 [0,1,0,1,0,0|1,0,1]=4 548 B6R1.7 NC1(CC1)CO Z1741975623 [0,1,0,1,0,0|0,0,2]=4 549 B6R1.12 C[C@H]1C([C@@H]1C)N Z4052355194 [0,1,0,1,0,0|1,0,1]=4 550 B6R1.12 C[C@H]1[C@H]([C@@H]1N)C Z3847494912 [0,1,0,1,0,0|1,0,1]=4