0 B4R0.1 C#CC(=O)O Z104493798 [0,0,0,0,0,0|1,0,1]=2 1 B4R0.1 C#CC(C)O Z1251193370 [0,0,0,0,0,0|2,0,2]=4 2 B4R0.1 C=C(Br)CN Z600439032 [0,0,0,0,0,0|2,0,0]=2 3 B4R0.1 C=C(Br)CO Z600440434 [0,0,0,0,0,0|3,0,0]=3 4 B4R0.1 C=CC(=C)C Z104474660 [0,0,0,0,0,0|3,0,1]=4 5 B4R0.1 C=CC(=O)O Z57127944 [0,0,0,0,0,0|1,0,1]=2 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|1,0,0]=1 8 B4R0.1 CC(=O)NN Z58981787 [0,0,0,0,0,0|2,0,0]=2 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|2,0,1]=3 11 B4R0.1 CC(N)CF Z2096088772 [0,0,0,0,0,0|3,0,1]=4 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|1,0,1]=2 14 B4R0.1 CC(O)CO Z106938868 [0,0,0,0,0,0|2,0,1]=3 15 B4R0.1 CCC(=N)N Z1741969146 [0,0,0,0,0,0|3,0,0]=3 16 B4R0.1 CCC(=O)N Z33546482 [0,0,0,0,0,0|2,0,0]=2 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|2,1,0]=3 19 B4R0.1 CCC(C)N Z104472234 [0,0,0,0,0,0|3,0,1]=4 20 B4R0.1 CC[C@@H](C)O Z1203162396 [0,0,0,0,0,0|2,0,1]=3 21 B4R0.1 CNC(=N)C Z2146515751 [0,0,0,0,0,0|4,0,0]=4 22 B4R0.1 CNC(=O)C Z32016274 [0,0,0,0,0,0|3,0,0]=3 23 B4R0.1 CNC(=O)N Z56932989 [0,0,0,0,0,0|3,0,0]=3 24 B4R0.1 COC(=N)N Z1741976783 [0,0,0,0,0,0|4,0,0]=4 25 B4R0.1 COC(=O)N Z104476722 [0,0,0,0,0,0|3,0,0]=3 26 B4R0.1 CSC(=N)N Z1741980405 [0,0,0,0,0,0|4,0,0]=4 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|3,0,1]=4 29 B4R0.1 C[C@@H](O)CO Z1255486379 [0,0,0,0,0,0|2,0,1]=3 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|1,0,1]=2 32 B4R0.1 C[C@H](O)CO Z1255449993 [0,0,0,0,0,0|2,0,1]=3 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|3,0,0]=3 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|3,0,0]=3 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|2,0,0]=2 39 B4R0.1 NC(=O)CI Z1080376832 [0,0,0,0,0,0|2,0,0]=2 40 B4R0.1 NC(=O)CO Z424788508 [0,0,0,0,0,0|2,0,0]=2 41 B4R0.1 NC(=O)NO Z1203577934 [0,0,0,0,0,0|3,0,0]=3 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|0,0,0]=0 44 B4R0.1 NCC(F)F Z1295543893 [0,0,0,0,0,0|2,0,1]=3 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|1,0,0]=1 47 B4R0.1 O=C(O)CO Z104473274 [0,0,0,0,0,0|1,0,0]=1 48 B4R0.1 O=[N+]([O-])CBr Z1255485348 [0,0,0,0,0,0|2,0,1]=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|1,0,1]=3 53 B3R0.1 N/C=N/O Z156964716 [1,0,0,0,0,0|1,0,1]=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|0,0,1]=2 57 B3R0.1 NCCS Z104474494 [1,0,0,0,0,0|0,1,1]=3 58 B3R0.1 OCCS Z104473584 [1,0,0,0,0,0|1,0,1]=3 59 B3R0.2 CC(=O)N Z33546370 [1,0,0,0,0,0|1,0,0]=2 60 B3R0.2 CC(=O)O Z1954803614 [1,0,0,0,0,0|0,0,0]=1 61 B3R0.2 CC(=O)[S-] Z1142554016 [1,0,0,0,0,0|0,1,0]=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|1,0,0]=2 64 B5R0.1 C#CCC(C)O Z969111576 [0,1,0,0,0,0|2,0,1]=4 65 B5R0.1 C/C=C/C(=O)O Z104476026 [0,1,0,0,0,0|1,0,1]=3 66 B5R0.1 C=C(C)CCN Z1203582475 [0,1,0,0,0,0|2,0,0]=3 67 B5R0.1 CC#CC(=O)N Z1203579284 [0,1,0,0,0,0|2,0,1]=4 68 B5R0.1 CC(=CCN)C Z1827897919 [0,1,0,0,0,0|2,0,0]=3 69 B5R0.1 CC(=O)CCO Z906206900 [0,1,0,0,0,0|2,0,0]=3 70 B5R0.1 CC(O)CC#N Z847151284 [0,1,0,0,0,0|1,0,2]=4 71 B5R0.1 CC(O)CCN Z802904114 [0,1,0,0,0,0|1,0,1]=3 72 B5R0.1 CC(O)CCO Z104473530 [0,1,0,0,0,0|2,0,1]=4 73 B5R0.1 CCCC(=N)N Z1198394172 [0,1,0,0,0,0|3,0,0]=4 74 B5R0.1 CCCC(=O)N Z33546461 [0,1,0,0,0,0|2,0,0]=3 75 B5R0.1 CCCC(=O)O Z104495380 [0,1,0,0,0,0|1,0,0]=2 76 B5R0.1 CCNC(=N)N Z2574931373 [0,1,0,0,0,0|3,0,0]=4 77 B5R0.1 CCOC(=N)N Z1741973543 [0,1,0,0,0,0|3,0,0]=4 78 B5R0.1 CCOC(=O)N Z33546369 [0,1,0,0,0,0|2,0,0]=3 79 B5R0.1 CCSC(=N)N Z1708092306 [0,1,0,0,0,0|3,0,0]=4 80 B5R0.1 CNCC(=O)N Z415678308 [0,1,0,0,0,0|1,0,0]=2 81 B5R0.1 CNCC(=O)O Z104480276 [0,1,0,0,0,0|0,0,0]=1 82 B5R0.1 CNCC(C)C Z951367674 [0,1,0,0,0,0|2,0,1]=4 83 B5R0.1 CNCC(C)N Z1413780485 [0,1,0,0,0,0|2,0,1]=4 84 B5R0.1 CNCC(C)O Z138692700 [0,1,0,0,0,0|1,0,1]=3 85 B5R0.1 CNCC(F)F Z1259341074 [0,1,0,0,0,0|2,0,1]=4 86 B5R0.1 COCC(=N)N Z1258620054 [0,1,0,0,0,0|3,0,0]=4 87 B5R0.1 COCC(=O)N Z33546778 [0,1,0,0,0,0|2,0,0]=3 88 B5R0.1 COCC(=O)O Z104477404 [0,1,0,0,0,0|1,0,0]=2 89 B5R0.1 COCC(C)O Z825742124 [0,1,0,0,0,0|2,0,1]=4 90 B5R0.1 CS(=O)CC#N Z1198176972 [0,1,0,0,0,0|2,0,1]=4 91 B5R0.1 CS(=O)CCN Z802568576 [0,1,0,0,0,0|2,0,0]=3 92 B5R0.1 CSCC(=N)N Z1459934800 [0,1,0,0,0,0|3,0,0]=4 93 B5R0.1 CSCC(=O)N Z33545668 [0,1,0,0,0,0|2,0,0]=3 94 B5R0.1 CSCC(C)O Z732208306 [0,1,0,0,0,0|2,0,1]=4 95 B5R0.1 CSCS(=O)C Z1255438413 [0,1,0,0,0,0|3,0,0]=4 96 B5R0.1 C[C@@H](O)CCN Z1860991703 [0,1,0,0,0,0|1,0,1]=3 97 B5R0.1 N#CCC(=N)N Z1198223505 [0,1,0,0,0,0|2,0,1]=4 98 B5R0.1 N#CCC(=O)N Z56896153 [0,1,0,0,0,0|1,0,1]=3 99 B5R0.1 N#CCC(=O)O Z104476112 [0,1,0,0,0,0|0,0,1]=2 100 B5R0.1 N#CCC(=S)N Z57046941 [0,1,0,0,0,0|1,1,1]=4 101 B5R0.1 N=C(N)CCO Z1198394167 [0,1,0,0,0,0|3,0,0]=4 102 B5R0.1 NC(=O)CCO Z431951940 [0,1,0,0,0,0|2,0,0]=3 103 B5R0.1 NCC=C(Cl)Cl Z2469606492 [0,1,0,0,0,0|2,0,0]=3 104 B5R0.1 NCC=C(F)F Z4511316967 [0,1,0,0,0,0|2,0,0]=3 105 B5R0.1 NCCC(=O)N Z415728050 [0,1,0,0,0,0|1,0,0]=2 106 B5R0.1 NCCC(=O)O Z57127544 [0,1,0,0,0,0|0,0,0]=1 107 B5R0.1 NOCC(=O)O Z90662171 [0,1,0,0,0,0|0,0,0]=1 108 B5R0.1 O=C(O)/C=C/I Z2327124440 [0,1,0,0,0,0|1,0,1]=3 109 B5R0.1 O=C(O)CCCl Z203045320 [0,1,0,0,0,0|1,0,0]=2 110 B5R0.1 O=C(O)CCS Z104474322 [0,1,0,0,0,0|1,0,0]=2 111 B5R0.1 O=C(O)CNO Z1205493750 [0,1,0,0,0,0|0,0,0]=1 112 B5R0.3 C=C(CC)CN Z2238934536 [0,1,0,0,0,0|2,0,0]=3 113 B5R0.3 CC(CN)CN Z951173758 [0,1,0,0,0,0|2,0,1]=4 114 B5R0.3 CC(CN)CO Z406342068 [0,1,0,0,0,0|1,0,1]=3 115 B5R0.3 CC(CO)CS Z1262475362 [0,1,0,0,0,0|2,0,1]=4 116 B5R0.3 CC/C(=N/O)/N Z241067842 [0,1,0,0,0,0|2,0,0]=3 117 B5R0.3 CCC(=O)CC Z104476878 [0,1,0,0,0,0|2,0,0]=3 118 B5R0.3 CCC(=O)CN Z1203579016 [0,1,0,0,0,0|1,0,0]=2 119 B5R0.3 CCC(=O)NN Z56886418 [0,1,0,0,0,0|2,0,0]=3 120 B5R0.3 CCC(C)CN Z2350903977 [0,1,0,0,0,0|2,0,1]=4 121 B5R0.3 CCC(N)CN Z1263714131 [0,1,0,0,0,0|2,0,1]=4 122 B5R0.3 CCC(N)CO Z104474862 [0,1,0,0,0,0|2,0,1]=4 123 B5R0.3 CCC(O)C#N Z419078094 [0,1,0,0,0,0|2,0,1]=4 124 B5R0.3 CCC(O)CN Z419084746 [0,1,0,0,0,0|1,0,1]=3 125 B5R0.3 CCC(O)CO Z600450538 [0,1,0,0,0,0|1,0,2]=4 126 B5R0.3 CCN(C)C=O Z1258520870 [0,1,0,0,0,0|3,0,0]=4 127 B5R0.3 CCN(C)N=O Z1198147516 [0,1,0,0,0,0|3,0,0]=4 128 B5R0.3 CC[C@@H](N)CO Z1203162359 [0,1,0,0,0,0|2,0,1]=4 129 B5R0.3 CC[C@H](N)CO Z1203162358 [0,1,0,0,0,0|2,0,1]=4 130 B5R0.3 CNC(=N)NN Z2301534051 [0,1,0,0,0,0|3,0,0]=4 131 B5R0.3 CNC(=O)CCl Z56891219 [0,1,0,0,0,0|2,0,0]=3 132 B5R0.3 CNC(=O)CN Z57981102 [0,1,0,0,0,0|1,0,0]=2 133 B5R0.3 CNC(=O)CO Z431952700 [0,1,0,0,0,0|2,0,0]=3 134 B5R0.3 CNC(=O)CS Z1203730878 [0,1,0,0,0,0|2,0,0]=3 135 B5R0.3 CNC(C)CN Z941154208 [0,1,0,0,0,0|2,0,1]=4 136 B5R0.3 COC(=O)CN Z57042020 [0,1,0,0,0,0|0,0,0]=1 137 B5R0.3 COC(C)CN Z1795817756 [0,1,0,0,0,0|1,0,1]=3 138 B5R0.3 COC(C)CO Z1198150719 [0,1,0,0,0,0|2,0,1]=4 139 B5R0.3 CSC(C)CN Z844632970 [0,1,0,0,0,0|1,1,1]=4 140 B5R0.3 N=C(CN)NO Z223781376 [0,1,0,0,0,0|1,0,0]=2 141 B5R0.3 N=C(NN)NN Z90663781 [0,1,0,0,0,0|3,0,0]=4 142 B5R0.3 NC(CO)CO Z1203577940 [0,1,0,0,0,0|2,0,1]=4 143 B5R0.3 NCC(=O)CN Z1198147360 [0,1,0,0,0,0|1,0,0]=2 144 B5R0.3 NCC(F)CN Z2733320873 [0,1,0,0,0,0|2,0,1]=4 145 B5R0.3 NCC(N)CN Z1203578196 [0,1,0,0,0,0|2,0,1]=4 146 B5R0.3 NCC(O)CF Z2311274712 [0,1,0,0,0,0|1,0,1]=3 147 B5R0.3 NNC(=S)NN Z56823019 [0,1,0,0,0,0|2,1,0]=4 148 B5R0.3 O=C(CO)CO Z1255442144 [0,1,0,0,0,0|1,0,0]=2 149 B5R0.3 OC/C(=C/I)/I Z4691071538 [0,1,0,0,0,0|2,0,1]=4 150 B5R0.3 OCC(O)CO Z104473548 [0,1,0,0,0,0|1,0,2]=4 151 B5R0.3 OCC(O)CS Z1255382958 [0,1,0,0,0,0|1,0,2]=4 152 B5R0.4 CC(C)(C)CN Z291234094 [0,1,0,0,0,0|2,0,1]=4 153 B5R0.4 CC(C)(N)CN Z1266854946 [0,1,0,0,0,0|2,0,1]=4 154 B5R0.4 CC(C)(O)CO Z600454414 [0,1,0,0,0,0|2,0,1]=4 155 B5R0.4 CC(F)(F)CN Z1201623622 [0,1,0,0,0,0|2,0,1]=4 156 B5R0.4 CCC(C)(C)O Z104473496 [0,1,0,0,0,0|2,0,1]=4 157 B5R0.4 CCS(=O)(=O)N Z54886646 [0,1,0,0,0,0|2,0,1]=4 158 B5R0.4 CS(=O)(=O)NN Z283687760 [0,1,0,0,0,0|2,0,1]=4 159 B5R0.4 NCC(F)(F)Cl Z3208061227 [0,1,0,0,0,0|2,0,1]=4 160 B5R0.4 NCC(F)(F)F Z235149257 [0,1,0,0,0,0|2,0,1]=4 161 B5R0.4 O=S(=O)([O-])CCl Z104476408 [0,1,0,0,0,0|2,0,1]=4 162 B5R0.5 C=C(Cl)C(=O)O Z1201617183 [0,1,0,0,0,0|1,0,1]=3 163 B5R0.5 CC(=O)C(=O)O Z104495240 [0,1,0,0,0,0|1,0,1]=3 164 B5R0.5 CC(=O)C(C)N Z1263529525 [0,1,0,0,0,0|1,0,0]=2 165 B5R0.5 CC(Br)C(=O)O Z57127555 [0,1,0,0,0,0|1,0,0]=2 166 B5R0.5 CC(C)C(=N)N Z381357616 [0,1,0,0,0,0|3,0,0]=4 167 B5R0.5 CC(C)C(=O)N Z57046209 [0,1,0,0,0,0|2,0,0]=3 168 B5R0.5 CC(C)C(=O)O Z104473380 [0,1,0,0,0,0|1,0,0]=2 169 B5R0.5 CC(C)[N+](=O)[O-] Z104474978 [0,1,0,0,0,0|2,0,1]=4 170 B5R0.5 CC(Cl)C(=O)N Z56924427 [0,1,0,0,0,0|2,0,0]=3 171 B5R0.5 CC(Cl)C(=O)O Z147646840 [0,1,0,0,0,0|1,0,0]=2 172 B5R0.5 CC(N)C(=O)N Z54749436 [0,1,0,0,0,0|1,0,0]=2 173 B5R0.5 CC(N)C(=O)O Z57396987 [0,1,0,0,0,0|0,0,0]=1 174 B5R0.5 CC(N)C(C)N Z2335631664 [0,1,0,0,0,0|2,0,1]=4 175 B5R0.5 CC(O)C(=N)N Z2216711526 [0,1,0,0,0,0|1,0,2]=4 176 B5R0.5 CC(O)C(=O)N Z57206008 [0,1,0,0,0,0|2,0,0]=3 177 B5R0.5 CC(O)C(C)O Z104473532 [0,1,0,0,0,0|2,0,1]=4 178 B5R0.5 CC(S)C(=O)O Z104477082 [0,1,0,0,0,0|1,0,0]=2 179 B5R0.5 C[C@@H](N)C(=O)O Z802692914 [0,1,0,0,0,0|0,0,0]=1 180 B5R0.5 C[C@H](N)C(=O)N Z359371050 [0,1,0,0,0,0|1,0,0]=2 181 B5R0.5 C[C@H](N)C(=O)O Z756424912 [0,1,0,0,0,0|0,0,0]=1 182 B5R0.5 NC(=O)C(F)F Z33546481 [0,1,0,0,0,0|2,0,0]=3 183 B5R0.5 NC(=S)C(=S)N Z56347000 [0,1,0,0,0,0|1,1,1]=4 184 B5R0.5 O=C(O)C(=O)O Z1741978903 [0,1,0,0,0,0|1,0,1]=3 185 B5R0.5 O=C(O)C(Cl)Cl Z104476414 [0,1,0,0,0,0|1,0,0]=2 186 B5R0.5 O=C(O)C(F)F Z104474070 [0,1,0,0,0,0|1,0,0]=2 187 B5R1.2 O=C1CCO1 Z1089877620 [0,0,0,1,0,0|1,0,0]=2 188 B5R1.2 OC1CNC1 Z1012638850 [0,0,0,1,0,0|1,0,1]=3 189 B5R1.2 OC1COC1 Z1123686553 [0,0,0,1,0,0|2,0,1]=4 190 B5R1.3 ClCC1CO1 Z104473190 [0,0,0,1,0,0|2,0,1]=4 191 B5R1.3 OCC1CO1 Z104476180 [0,0,0,1,0,0|2,0,1]=4 192 B5R1.3 OC[C@@H]1CO1 Z1222330631 [0,0,0,1,0,0|2,0,1]=4 193 B5R1.3 OC[C@H]1CO1 Z1222330633 [0,0,0,1,0,0|2,0,1]=4 194 B5R1.4 CC1CC1N Z406520774 [0,0,0,1,0,0|2,0,1]=4 195 B5R1.4 C[C@@H]1C[C@H]1N Z993905302 [0,0,0,1,0,0|2,0,1]=4 196 B2R0.1 CNC Z57834054 [2,0,0,0,0,0|2,0,0]=4 197 B4R0.2 C#CCCN Z1267881669 [1,1,0,0,0,0|1,0,1]=4 198 B4R0.2 CC#CCN Z1713595498 [1,1,0,0,0,0|1,0,1]=4 199 B4R0.2 CCCCN Z104474314 [1,1,0,0,0,0|1,0,1]=4 200 B4R0.2 CCCCO Z104473488 [1,1,0,0,0,0|1,0,1]=4 201 B4R0.2 CCCNN Z415728048 [1,1,0,0,0,0|1,0,1]=4 202 B4R0.2 CNCC#N Z1262250834 [1,1,0,0,0,0|1,0,1]=4 203 B4R0.2 COCCO Z104473522 [1,1,0,0,0,0|1,0,1]=4 204 B4R0.2 CSCCO Z149154880 [1,1,0,0,0,0|1,0,1]=4 205 B4R0.2 N#CCCN Z1895741700 [1,1,0,0,0,0|1,0,1]=4 206 B4R0.2 NC/C=C/Cl Z2941400887 [1,1,0,0,0,0|1,0,0]=3 207 B4R0.2 NCC#CBr Z4442967693 [1,1,0,0,0,0|1,0,1]=4 208 B4R0.2 NCCCN Z104478068 [1,1,0,0,0,0|1,0,1]=4 209 B4R0.2 NCCCO Z56771034 [1,1,0,0,0,0|0,0,1]=3 210 B4R0.3 CS(=O)(=O)C Z417007936 [1,1,0,0,0,0|1,0,1]=4 211 B4R0.3 CS(=O)(=O)F Z361886230 [1,1,0,0,0,0|1,0,1]=4 212 B4R0.3 CS(=O)(=O)N Z54080282 [1,1,0,0,0,0|1,0,1]=4 213 B4R0.3 CS(=O)(=O)O Z281776238 [1,1,0,0,0,0|1,0,0]=3 214 B4R0.3 O=P(O)(O)F Z1255360409 [1,1,0,0,0,0|2,0,0]=4 215 B6R0.1 C#CC(=O)OCC Z104478880 [0,2,0,0,0,0|1,0,1]=4 216 B6R0.1 C#CCC(=O)OC Z1198160347 [0,2,0,0,0,0|1,0,0]=3 217 B6R0.1 C#CCC(O)CN Z2491498074 [0,2,0,0,0,0|1,0,1]=4 218 B6R0.1 CC(CN)CCO Z1203581915 [0,2,0,0,0,0|1,0,1]=4 219 B6R0.1 CC(CO)CCN Z5410631465 [0,2,0,0,0,0|1,0,1]=4 220 B6R0.1 CCC(=O)COC Z825742020 [0,2,0,0,0,0|1,0,0]=3 221 B6R0.1 CCC(O)CCN Z406342052 [0,2,0,0,0,0|1,0,1]=4 222 B6R0.1 CCCC(=O)CN Z1203579017 [0,2,0,0,0,0|1,0,0]=3 223 B6R0.1 CCCC(=O)NO Z59181937 [0,2,0,0,0,0|1,0,0]=3 224 B6R0.1 CCCC(O)CN Z419084742 [0,2,0,0,0,0|1,0,1]=4 225 B6R0.1 CCNC(=O)CN Z54747476 [0,2,0,0,0,0|1,0,0]=3 226 B6R0.1 CCNC(=O)CO Z431952024 [0,2,0,0,0,0|1,0,0]=3 227 B6R0.1 CCOC(=N)CC Z3033961910 [0,2,0,0,0,0|2,0,0]=4 228 B6R0.1 CCOC(=O)CN Z594038186 [0,2,0,0,0,0|0,0,0]=2 229 B6R0.1 CCOC(=O)CO Z385458066 [0,2,0,0,0,0|1,0,0]=3 230 B6R0.1 CCOC(=O)NN Z104478458 [0,2,0,0,0,0|1,0,0]=3 231 B6R0.1 CCOC(C)CN Z844631802 [0,2,0,0,0,0|1,0,1]=4 232 B6R0.1 CCS(=O)CCN Z1266854910 [0,2,0,0,0,0|2,0,0]=4 233 B6R0.1 CNC(=O)CC#N Z56945997 [0,2,0,0,0,0|1,0,1]=4 234 B6R0.1 CNC(=O)CCCl Z239813512 [0,2,0,0,0,0|2,0,0]=4 235 B6R0.1 CNC(=O)CCN Z425449754 [0,2,0,0,0,0|1,0,0]=3 236 B6R0.1 CNC(=O)CCO Z975909370 [0,2,0,0,0,0|2,0,0]=4 237 B6R0.1 CNCC(=O)NC Z57981096 [0,2,0,0,0,0|1,0,0]=3 238 B6R0.1 CNCC(=O)OC Z89264972 [0,2,0,0,0,0|0,0,0]=2 239 B6R0.1 CNCC(C)OC Z2065788390 [0,2,0,0,0,0|1,0,1]=4 240 B6R0.1 CNC[C@H](O)CO Z600533638 [0,2,0,0,0,0|0,0,2]=4 241 B6R0.1 COC(C)CCN Z802903932 [0,2,0,0,0,0|1,0,1]=4 242 B6R0.1 COCC(N)CN Z1203580237 [0,2,0,0,0,0|1,0,1]=4 243 B6R0.1 COCC(O)CN Z271097108 [0,2,0,0,0,0|0,0,2]=4 244 B6R0.1 CONC(=O)CCl Z234816732 [0,2,0,0,0,0|1,0,0]=3 245 B6R0.1 N#CCC(=O)NN Z104474618 [0,2,0,0,0,0|1,0,1]=4 246 B6R0.2 C/C(=C/C(=O)O)/I Z1508917269 [0,2,0,0,0,0|1,0,1]=4 247 B6R0.2 C=C(C)CC(=O)O Z295890066 [0,2,0,0,0,0|1,0,0]=3 248 B6R0.2 CC(=CC(=O)O)C Z104480144 [0,2,0,0,0,0|1,0,1]=4 249 B6R0.2 CC(=O)/C=C(/C)\N Z56858245 [0,2,0,0,0,0|1,0,1]=4 250 B6R0.2 CC(=O)CC(C)N Z57329385 [0,2,0,0,0,0|1,0,0]=3 251 B6R0.2 CC(=O)NC(=N)N Z1203578060 [0,2,0,0,0,0|1,0,1]=4 252 B6R0.2 CC(=O)NC(=O)N Z104476284 [0,2,0,0,0,0|1,0,1]=4 253 B6R0.2 CC(C)CC(=O)N Z33546511 [0,2,0,0,0,0|2,0,0]=4 254 B6R0.2 CC(C)CC(=O)O Z104474910 [0,2,0,0,0,0|1,0,0]=3 255 B6R0.2 CC(C)NC(=O)N Z56887677 [0,2,0,0,0,0|2,0,0]=4 256 B6R0.2 CC(N)CC(=O)N Z594220690 [0,2,0,0,0,0|1,0,0]=3 257 B6R0.2 CC(N)CC(=O)O Z147647144 [0,2,0,0,0,0|0,0,0]=2 258 B6R0.2 CC(N)CS(=O)C Z1238793449 [0,2,0,0,0,0|2,0,0]=4 259 B6R0.2 CN(C)CC(=O)N Z54750057 [0,2,0,0,0,0|1,0,0]=3 260 B6R0.2 CN(C)CC(=O)O Z235580496 [0,2,0,0,0,0|0,0,0]=2 261 B6R0.2 CS(=O)CC(=O)N Z1203581973 [0,2,0,0,0,0|2,0,0]=4 262 B6R0.2 C[C@H](N)CC(=O)O Z1741969208 [0,2,0,0,0,0|0,0,0]=2 263 B6R0.2 N=C(N)CC(=N)N Z1357774279 [0,2,0,0,0,0|2,0,0]=4 264 B6R0.2 N=C(N)CC(=O)N Z104480060 [0,2,0,0,0,0|1,0,0]=3 265 B6R0.2 NC(=O)CC(=O)N Z104473780 [0,2,0,0,0,0|1,0,0]=3 266 B6R0.2 NC(=O)CC(=O)O Z963467736 [0,2,0,0,0,0|0,0,0]=2 267 B6R0.2 NC(=O)NC(=O)N Z57206006 [0,2,0,0,0,0|1,0,1]=4 268 B6R0.2 O=C(O)C=C(Br)Br Z1416198234 [0,2,0,0,0,0|1,0,1]=4 269 B6R0.2 O=C(O)C=C(Cl)Cl Z1205493743 [0,2,0,0,0,0|1,0,1]=4 270 B6R0.2 O=C(O)CC(=O)O Z57965450 [0,2,0,0,0,0|1,0,0]=3 271 B6R0.3 C=CC(N)C(=O)O Z3244810526 [0,2,0,0,0,0|0,0,0]=2 272 B6R0.3 CC(=C(F)CN)C Z1203639272 [0,2,0,0,0,0|2,0,0]=4 273 B6R0.3 CC(C#N)C(=O)O Z852759720 [0,2,0,0,0,0|0,0,1]=3 274 B6R0.3 CC(C)C(=O)NN Z56926537 [0,2,0,0,0,0|2,0,0]=4 275 B6R0.3 CC(C)C(O)CN Z1255523288 [0,2,0,0,0,0|1,0,1]=4 276 B6R0.3 CC(CN)C(=O)O Z431542704 [0,2,0,0,0,0|0,0,0]=2 277 B6R0.3 CC(CO)C(=O)O Z431541400 [0,2,0,0,0,0|1,0,0]=3 278 B6R0.3 CC(N)C(C)CO Z1203581847 [0,2,0,0,0,0|1,0,1]=4 279 B6R0.3 CC(O)C(N)CN Z1250080890 [0,2,0,0,0,0|1,0,1]=4 280 B6R0.3 CCC(C)C(=O)N Z270978420 [0,2,0,0,0,0|2,0,0]=4 281 B6R0.3 CCC(C)C(=O)O Z237374874 [0,2,0,0,0,0|1,0,0]=3 282 B6R0.3 CCC(N)C(=O)O Z104495144 [0,2,0,0,0,0|0,0,0]=2 283 B6R0.3 CCC(O)C(=O)N Z965049008 [0,2,0,0,0,0|1,0,1]=4 284 B6R0.3 CCC(O)C(=O)O Z246073650 [0,2,0,0,0,0|1,0,0]=3 285 B6R0.3 CC[C@@H](N)C(=O)O Z904976986 [0,2,0,0,0,0|0,0,0]=2 286 B6R0.3 CC[C@H](C)C(=O)O Z1205493564 [0,2,0,0,0,0|1,0,0]=3 287 B6R0.3 CC[C@H](N)C(=O)O Z1741965569 [0,2,0,0,0,0|0,0,0]=2 288 B6R0.3 CN(C)C(=N)CN Z220638406 [0,2,0,0,0,0|2,0,0]=4 289 B6R0.3 CN(C)C(=O)CN Z54751082 [0,2,0,0,0,0|1,0,0]=3 290 B6R0.3 CN(C)C(=O)CO Z431952018 [0,2,0,0,0,0|2,0,0]=4 291 B6R0.3 CNC(=O)C(C)Cl Z104346638 [0,2,0,0,0,0|2,0,0]=4 292 B6R0.3 CNC(=O)C(C)N Z105197440 [0,2,0,0,0,0|1,0,0]=3 293 B6R0.3 CNC(=O)C(C)O Z431951884 [0,2,0,0,0,0|2,0,0]=4 294 B6R0.3 CNC(=O)C(F)F Z32016385 [0,2,0,0,0,0|2,0,0]=4 295 B6R0.3 CNC(=O)[C@@H](C)N Z1346385420 [0,2,0,0,0,0|1,0,0]=3 296 B6R0.3 CNC(=O)[C@H](C)N Z1449756238 [0,2,0,0,0,0|1,0,0]=3 297 B6R0.3 CNC(C)C(=O)O Z1278590830 [0,2,0,0,0,0|0,0,0]=2 298 B6R0.3 CN[C@@H](C)C(=O)N Z2143576643 [0,2,0,0,0,0|1,0,0]=3 299 B6R0.3 COC(=N)C(C)C Z2944341356 [0,2,0,0,0,0|2,0,0]=4 300 B6R0.3 COC(=O)C(=N)N Z1198220825 [0,2,0,0,0,0|0,0,1]=3 301 B6R0.3 COC(=O)C(C)N Z56968898 [0,2,0,0,0,0|0,0,0]=2 302 B6R0.3 COC(C)C(=O)C Z447898138 [0,2,0,0,0,0|2,0,0]=4 303 B6R0.3 COC(C)C(=O)N Z223645218 [0,2,0,0,0,0|2,0,0]=4 304 B6R0.3 COC(C)C(=O)O Z316258898 [0,2,0,0,0,0|1,0,0]=3 305 B6R0.3 COC(C)[C@@H](C)N Z2160914955 [0,2,0,0,0,0|1,0,1]=4 306 B6R0.3 COC(C)[C@H](C)N Z1795817829 [0,2,0,0,0,0|1,0,1]=4 307 B6R0.3 CSC(C)C(=O)O Z149191750 [0,2,0,0,0,0|1,0,0]=3 308 B6R0.3 N#CC(Br)C(=O)N Z431988688 [0,2,0,0,0,0|1,0,1]=4 309 B6R0.3 NC(CO)C(=O)O Z57396986 [0,2,0,0,0,0|0,0,0]=2 310 B6R0.3 NC(CS)C(=O)O Z966690626 [0,2,0,0,0,0|0,0,0]=2 311 B6R0.3 NCC(=C(Cl)Cl)Cl Z1945984228 [0,2,0,0,0,0|2,0,0]=4 312 B6R0.3 NCC(N)C(=O)O Z2465863279 [0,2,0,0,0,0|0,0,0]=2 313 B6R0.3 NCC(O)C(=O)N Z1889902538 [0,2,0,0,0,0|0,0,1]=3 314 B6R0.3 NC[C@@H](F)C(=O)O Z2695741427 [0,2,0,0,0,0|0,0,0]=2 315 B6R0.3 NNC(=O)C(=O)O Z3068042919 [0,2,0,0,0,0|0,0,1]=3 316 B6R0.3 N[C@@H](CO)C(=O)O Z756440058 [0,2,0,0,0,0|0,0,0]=2 317 B6R0.3 N[C@@H](CS)C(=O)O Z760035162 [0,2,0,0,0,0|0,0,0]=2 318 B6R0.3 N[C@H](CO)C(=O)O Z1070067572 [0,2,0,0,0,0|0,0,0]=2 319 B6R0.3 O=C(O)C(=O)CBr Z1079181768 [0,2,0,0,0,0|1,0,0]=3 320 B6R0.4 C#CCCC(=O)O Z295890062 [0,2,0,0,0,0|1,0,0]=3 321 B6R0.4 C#CCNC(=O)C Z220957448 [0,2,0,0,0,0|2,0,0]=4 322 B6R0.4 C#CCNC(=O)N Z198194920 [0,2,0,0,0,0|2,0,0]=4 323 B6R0.4 C#CCOC(=O)N Z1203578973 [0,2,0,0,0,0|2,0,0]=4 324 B6R0.4 C=CCCC(=O)C Z406376894 [0,2,0,0,0,0|2,0,0]=4 325 B6R0.4 C=CCCC(=O)O Z995028722 [0,2,0,0,0,0|1,0,0]=3 326 B6R0.4 C=CCNC(=O)C Z32064466 [0,2,0,0,0,0|2,0,0]=4 327 B6R0.4 C=CCNC(=O)N Z56904662 [0,2,0,0,0,0|2,0,0]=4 328 B6R0.4 CC(=O)CCC#N Z1251352415 [0,2,0,0,0,0|1,0,1]=4 329 B6R0.4 CC(=O)NCCCl Z57983106 [0,2,0,0,0,0|2,0,0]=4 330 B6R0.4 CC(=O)OCCN Z1973465551 [0,2,0,0,0,0|1,0,0]=3 331 B6R0.4 CC(O)CCCN Z1198178891 [0,2,0,0,0,0|1,0,1]=4 332 B6R0.4 CC/C=C/C(=O)O Z2311573931 [0,2,0,0,0,0|1,0,0]=3 333 B6R0.4 CCC#CC(=O)O Z1205493735 [0,2,0,0,0,0|1,0,0]=3 334 B6R0.4 CCCCC(=O)N Z104476278 [0,2,0,0,0,0|2,0,0]=4 335 B6R0.4 CCCCC(=O)O Z104473312 [0,2,0,0,0,0|1,0,0]=3 336 B6R0.4 CCCNC(=O)C Z33030314 [0,2,0,0,0,0|2,0,0]=4 337 B6R0.4 CCCOC(=O)N Z1198148877 [0,2,0,0,0,0|2,0,0]=4 338 B6R0.4 CCNCC(=O)N Z1459435506 [0,2,0,0,0,0|1,0,0]=3 339 B6R0.4 CCNCC(=O)O Z744593094 [0,2,0,0,0,0|0,0,0]=2 340 B6R0.4 CCNCC(C)O Z138692768 [0,2,0,0,0,0|1,0,1]=4 341 B6R0.4 CCOCC(=O)O Z104495232 [0,2,0,0,0,0|1,0,0]=3 342 B6R0.4 CNCCC(=O)C Z1536943318 [0,2,0,0,0,0|1,0,0]=3 343 B6R0.4 CNCCC(C)O Z1203731868 [0,2,0,0,0,0|1,0,1]=4 344 B6R0.4 COCCC(=O)C Z362119682 [0,2,0,0,0,0|2,0,0]=4 345 B6R0.4 COCCC(=O)N Z394696458 [0,2,0,0,0,0|2,0,0]=4 346 B6R0.4 COCCC(=O)O Z285184634 [0,2,0,0,0,0|1,0,0]=3 347 B6R0.4 CS/C=C/C(=O)O Z1868430572 [0,2,0,0,0,0|1,0,1]=4 348 B6R0.4 CSCCC(=O)O Z54719251 [0,2,0,0,0,0|1,0,0]=3 349 B6R0.4 N#CCCC(=O)N Z57160408 [0,2,0,0,0,0|1,0,1]=4 350 B6R0.4 N#CCNC(=O)N Z600498544 [0,2,0,0,0,0|1,0,1]=4 351 B6R0.4 N=C(N)NCCN Z2235813444 [0,2,0,0,0,0|2,0,0]=4 352 B6R0.4 NC(=O)CCCO Z1203578394 [0,2,0,0,0,0|2,0,0]=4 353 B6R0.4 NC(=O)NCCF Z1203582184 [0,2,0,0,0,0|2,0,0]=4 354 B6R0.4 NC(=O)OCCO Z1198158440 [0,2,0,0,0,0|2,0,0]=4 355 B6R0.4 NCCCC(=O)N Z398513418 [0,2,0,0,0,0|1,0,0]=3 356 B6R0.4 NCCCC(=O)O Z104475620 [0,2,0,0,0,0|0,0,0]=2 357 B6R0.4 NCCCS(=O)O Z1203579399 [0,2,0,0,0,0|1,0,0]=3 358 B6R0.4 NCCNC(=O)N Z1268152381 [0,2,0,0,0,0|1,0,0]=3 359 B6R0.4 NCCOC(=O)N Z1587257433 [0,2,0,0,0,0|1,0,0]=3 360 B6R0.4 O=C(O)/C=C/CO Z3178016098 [0,2,0,0,0,0|1,0,0]=3 361 B6R0.4 O=C(O)C#CCO Z1198169479 [0,2,0,0,0,0|1,0,0]=3 362 B6R0.4 O=C(O)CCCS Z147642510 [0,2,0,0,0,0|1,0,0]=3 363 B6R0.5 CNCC(C)(C)O Z600453550 [0,2,0,0,0,0|1,0,1]=4 364 B6R0.5 CS(=O)(=O)CCN Z265638750 [0,2,0,0,0,0|1,0,1]=4 365 B6R0.5 N#CCP(=O)(O)O Z3025383580 [0,2,0,0,0,0|1,0,1]=4 366 B6R0.5 NCCS(=O)(=O)N Z432066942 [0,2,0,0,0,0|1,0,1]=4 367 B6R0.5 NCCS(=O)(=O)O Z248489432 [0,2,0,0,0,0|1,0,0]=3 368 B6R0.8 CC(C)(CN)CO Z3247605488 [0,2,0,0,0,0|1,0,1]=4 369 B6R0.8 CCC(C)(O)CN Z419085064 [0,2,0,0,0,0|1,0,1]=4 370 B6R0.8 COC(C)(C)CN Z1266933932 [0,2,0,0,0,0|1,0,1]=4 371 B6R0.9 CCC(CN)OC Z2168541798 [0,2,0,0,0,0|1,0,1]=4 372 B6R0.7 CC(=O)C(C)(C)O Z939661728 [0,2,0,0,0,0|2,0,0]=4 373 B6R0.7 CC(C)(Br)C(=O)N Z1255458262 [0,2,0,0,0,0|2,0,0]=4 374 B6R0.7 CC(C)(C)C(=O)N Z56895677 [0,2,0,0,0,0|2,0,0]=4 375 B6R0.7 CC(C)(F)C(=O)O Z1201622349 [0,2,0,0,0,0|1,0,0]=3 376 B6R0.7 CC(C)(N)C(=O)N Z752371206 [0,2,0,0,0,0|1,0,0]=3 377 B6R0.7 CC(C)(N)C(=O)O Z317024776 [0,2,0,0,0,0|0,0,0]=2 378 B6R0.7 CC(Cl)(Cl)C(=O)O Z1205493591 [0,2,0,0,0,0|1,0,0]=3 379 B6R0.7 CC(O)C(C)(C)N Z3688848535 [0,2,0,0,0,0|1,0,1]=4 380 B6R0.7 NC(=O)C(Cl)(Cl)Cl Z104473774 [0,2,0,0,0,0|2,0,0]=4 381 B6R0.7 O=C(O)C(Cl)(Cl)Cl Z104473288 [0,2,0,0,0,0|1,0,0]=3 382 B6R0.7 O=C(O)C(F)(F)Br Z328621122 [0,2,0,0,0,0|1,0,0]=3 383 B6R0.7 O=C(O)C(F)(F)Cl Z1270446583 [0,2,0,0,0,0|1,0,0]=3 384 B6R0.7 O=C(O)C(F)(F)F Z1834265899 [0,2,0,0,0,0|1,0,0]=3 385 B6R0.7 O=C([O-])C(F)(Cl)Cl Z56772166 [0,2,0,0,0,0|1,0,1]=4 386 B6R1.2 C=C1CCNC1 Z3019986853 [0,1,0,1,0,0|2,0,0]=4 387 B6R1.2 C=C1CNOC1 Z3037884222 [0,1,0,1,0,0|1,0,0]=3 388 B6R1.2 CC1=CCNC1 Z1203734447 [0,1,0,1,0,0|2,0,0]=4 389 B6R1.2 NC1=NCCO1 Z336087916 [0,1,0,1,0,0|2,0,0]=4 390 B6R1.2 NC1=NNCC1 Z1569708704 [0,1,0,1,0,0|2,0,0]=4 391 B6R1.2 O=C1C=CCO1 Z1219048777 [0,1,0,1,0,0|1,0,1]=4 392 B6R1.2 O=C1C=CNN1 Z1198154338 [0,1,0,1,0,0|1,0,1]=4 393 B6R1.2 O=C1CCCN1 Z104472846 [0,1,0,1,0,0|2,0,0]=4 394 B6R1.2 O=C1CCNC1 Z1741976513 [0,1,0,1,0,0|1,0,0]=3 395 B6R1.2 O=C1CCNN1 Z2935001239 [0,1,0,1,0,0|1,0,0]=3 396 B6R1.2 O=C1CCSC1 Z104495638 [0,1,0,1,0,0|1,1,0]=4 397 B6R1.2 O=C1NCCN1 Z104494954 [0,1,0,1,0,0|2,0,0]=4 398 B6R1.2 O=C1NCCO1 Z104474784 [0,1,0,1,0,0|1,0,0]=3 399 B6R1.2 O=C1NCCS1 Z55928860 [0,1,0,1,0,0|1,1,0]=4 400 B6R1.2 O=C1OCCO1 Z1172235744 [0,1,0,1,0,0|1,0,0]=3 401 B6R1.2 O[C@@H]1CCNC1 Z1263714129 [0,1,0,1,0,0|1,0,1]=4 402 B6R1.2 O[C@H]1CCNC1 Z1263714116 [0,1,0,1,0,0|1,0,1]=4 403 B6R1.5 N[C@H]1C[C@H](C1)O Z1416282421 [0,1,0,1,0,0|1,0,1]=4 404 B6R1.8 C=C1CC1CN Z3454021936 [0,1,0,1,0,0|2,0,0]=4 405 B6R1.10 O=S1(=O)CCN1 Z415933552 [0,1,0,1,0,0|1,0,1]=4 406 B6R1.6 COC1CNC1 Z1267773781 [0,1,0,1,0,0|1,0,1]=4