0 B3R0.2 CC(=O)N Z33546370 [0,0,0,0,0,0|2,0,0]=2 1 B3R0.2 CC(=O)O Z1954803614 [0,0,0,0,0,0|1,0,0]=1 2 B3R0.2 CC(=O)[S-] Z1142554016 [0,0,0,0,0,0|1,1,0]=2 3 B3R0.2 NC(=O)N Z104473900 [0,0,0,0,0,0|2,0,0]=2 4 B2R0.1 CNC Z57834054 [1,0,0,0,0,0|3,0,0]=4 5 B2R0.1 Cl[Pt]Cl Z3182781436 [1,0,0,0,0,0|3,0,0]=4 6 B4R0.1 C#CC(=O)O Z104493798 [0,1,0,0,0,0|1,0,0]=2 7 B4R0.1 C#CC(C)O Z1251193370 [0,1,0,0,0,0|2,0,1]=4 8 B4R0.1 C=C(Br)CN Z600439032 [0,1,0,0,0,0|3,0,0]=4 9 B4R0.1 C=C(Br)CO Z600440434 [0,1,0,0,0,0|2,0,0]=3 10 B4R0.1 C=CC(=C)C Z104474660 [0,1,0,0,0,0|3,0,0]=4 11 B4R0.1 C=CC(=O)O Z57127944 [0,1,0,0,0,0|1,0,0]=2 12 B4R0.1 CC(=O)C=O Z104495190 [0,1,0,0,0,0|1,0,1]=3 13 B4R0.1 CC(=O)CN Z1262398366 [0,1,0,0,0,0|2,0,0]=3 14 B4R0.1 CC(=O)NN Z58981787 [0,1,0,0,0,0|2,0,0]=3 15 B4R0.1 CC(=O)NO Z59181917 [0,1,0,0,0,0|1,0,0]=2 16 B4R0.1 CC(C)NO Z1198161074 [0,1,0,0,0,0|2,0,1]=4 17 B4R0.1 CC(O)CN Z104477092 [0,1,0,0,0,0|2,0,1]=4 18 B4R0.1 CC(O)CO Z106938868 [0,1,0,0,0,0|1,0,1]=3 19 B4R0.1 CCC(=N)N Z1741969146 [0,1,0,0,0,0|3,0,0]=4 20 B4R0.1 CCC(=O)N Z33546482 [0,1,0,0,0,0|2,0,0]=3 21 B4R0.1 CCC(=O)O Z104474154 [0,1,0,0,0,0|1,0,0]=2 22 B4R0.1 CCC(=S)N Z241091446 [0,1,0,0,0,0|2,1,0]=4 23 B4R0.1 CC[C@@H](C)O Z1203162396 [0,1,0,0,0,0|2,0,1]=4 24 B4R0.1 CN(C)N=O Z1255485177 [0,1,0,0,0,0|3,0,0]=4 25 B4R0.1 CNC(=N)C Z2146515751 [0,1,0,0,0,0|3,0,0]=4 26 B4R0.1 CNC(=O)C Z32016274 [0,1,0,0,0,0|2,0,0]=3 27 B4R0.1 CNC(=O)N Z56932989 [0,1,0,0,0,0|2,0,0]=3 28 B4R0.1 COC(=N)N Z1741976783 [0,1,0,0,0,0|2,0,0]=3 29 B4R0.1 COC(=O)N Z104476722 [0,1,0,0,0,0|1,0,0]=2 30 B4R0.1 CSC(=N)N Z1741980405 [0,1,0,0,0,0|2,1,0]=4 31 B4R0.1 C[C@@H](N)CO Z346076140 [0,1,0,0,0,0|2,0,1]=4 32 B4R0.1 C[C@@H](O)CO Z1255486379 [0,1,0,0,0,0|1,0,1]=3 33 B4R0.1 C[C@H](O)CN Z1203577967 [0,1,0,0,0,0|2,0,1]=4 34 B4R0.1 C[C@H](O)CO Z1255449993 [0,1,0,0,0,0|1,0,1]=3 35 B4R0.1 ClC=C(Cl)Cl Z104473870 [0,1,0,0,0,0|3,0,0]=4 36 B4R0.1 N=C(N)CCl Z204878288 [0,1,0,0,0,0|3,0,0]=4 37 B4R0.1 N=C(N)CN Z3798800325 [0,1,0,0,0,0|3,0,0]=4 38 B4R0.1 N=C(N)CO Z1259341033 [0,1,0,0,0,0|2,0,0]=3 39 B4R0.1 N=C(N)NN Z1259217988 [0,1,0,0,0,0|3,0,0]=4 40 B4R0.1 NC(=O)CF Z104475768 [0,1,0,0,0,0|2,0,0]=3 41 B4R0.1 NC(=O)CI Z1080376832 [0,1,0,0,0,0|2,0,0]=3 42 B4R0.1 NC(=O)CO Z424788508 [0,1,0,0,0,0|1,0,0]=2 43 B4R0.1 NC(=O)NO Z1203577934 [0,1,0,0,0,0|1,0,0]=2 44 B4R0.1 NCC(=O)N Z1262254285 [0,1,0,0,0,0|2,0,0]=3 45 B4R0.1 NCC(=O)O Z955123660 [0,1,0,0,0,0|1,0,0]=2 46 B4R0.1 NNC(=O)N Z104473922 [0,1,0,0,0,0|2,0,0]=3 47 B4R0.1 O=C(O)CBr Z104473018 [0,1,0,0,0,0|1,0,0]=2 48 B4R0.1 O=C(O)CO Z104473274 [0,1,0,0,0,0|0,0,0]=1 49 B4R0.1 O=[N+]([O-])CBr Z1255485348 [0,1,0,0,0,0|2,0,1]=4 50 B4R0.1 OCC(F)F Z397587054 [0,1,0,0,0,0|2,0,1]=4 51 B4R0.3 CS(=O)(=O)C Z417007936 [0,1,0,0,0,0|2,0,1]=4 52 B4R0.3 CS(=O)(=O)F Z361886230 [0,1,0,0,0,0|2,0,1]=4 53 B4R0.3 CS(=O)(=O)N Z54080282 [0,1,0,0,0,0|2,0,1]=4 54 B4R0.3 CS(=O)(=O)O Z281776238 [0,1,0,0,0,0|1,0,1]=3 55 B4R0.3 O=P(O)(O)F Z1255360409 [0,1,0,0,0,0|1,0,0]=2 56 B3R0.1 C=CCO Z104473976 [1,1,0,0,0,0|1,0,0]=3 57 B3R0.1 I/C=C/I Z2417817184 [1,1,0,0,0,0|2,0,0]=4 58 B3R0.1 N/C=N/O Z156964716 [1,1,0,0,0,0|1,0,0]=3 59 B3R0.1 NCCO Z104473700 [1,1,0,0,0,0|1,0,1]=4 60 B3R0.1 OCCS Z104473584 [1,1,0,0,0,0|0,1,1]=4 61 B5R0.1 C#CCC(=O)O Z295890060 [0,2,0,0,0,0|1,0,0]=3 62 B5R0.1 C/C=C/C(=O)O Z104476026 [0,2,0,0,0,0|1,0,0]=3 63 B5R0.1 CC#CC(=O)N Z1203579284 [0,2,0,0,0,0|2,0,0]=4 64 B5R0.1 CC(=O)CCO Z906206900 [0,2,0,0,0,0|1,0,0]=3 65 B5R0.1 CC(O)CCO Z104473530 [0,2,0,0,0,0|1,0,1]=4 66 B5R0.1 CCCC(=O)N Z33546461 [0,2,0,0,0,0|2,0,0]=4 67 B5R0.1 CCCC(=O)O Z104495380 [0,2,0,0,0,0|1,0,0]=3 68 B5R0.1 CCOC(=N)N Z1741973543 [0,2,0,0,0,0|2,0,0]=4 69 B5R0.1 CCOC(=O)N Z33546369 [0,2,0,0,0,0|1,0,0]=3 70 B5R0.1 CNCC(=O)N Z415678308 [0,2,0,0,0,0|2,0,0]=4 71 B5R0.1 CNCC(=O)O Z104480276 [0,2,0,0,0,0|1,0,0]=3 72 B5R0.1 COCC(=N)N Z1258620054 [0,2,0,0,0,0|2,0,0]=4 73 B5R0.1 COCC(=O)N Z33546778 [0,2,0,0,0,0|1,0,0]=3 74 B5R0.1 COCC(=O)O Z104477404 [0,2,0,0,0,0|0,0,0]=2 75 B5R0.1 COCC(C)O Z825742124 [0,2,0,0,0,0|1,0,1]=4 76 B5R0.1 CSCC(=O)N Z33545668 [0,2,0,0,0,0|1,1,0]=4 77 B5R0.1 N#CCC(=O)N Z56896153 [0,2,0,0,0,0|2,0,0]=4 78 B5R0.1 N#CCC(=O)O Z104476112 [0,2,0,0,0,0|1,0,0]=3 79 B5R0.1 N=C(N)CCO Z1198394167 [0,2,0,0,0,0|2,0,0]=4 80 B5R0.1 N=C(N)NC=O Z1203578554 [0,2,0,0,0,0|2,0,0]=4 81 B5R0.1 NC(=O)CCO Z431951940 [0,2,0,0,0,0|1,0,0]=3 82 B5R0.1 NCCC(=O)N Z415728050 [0,2,0,0,0,0|2,0,0]=4 83 B5R0.1 NCCC(=O)O Z57127544 [0,2,0,0,0,0|1,0,0]=3 84 B5R0.1 NOCC(=O)O Z90662171 [0,2,0,0,0,0|0,0,0]=2 85 B5R0.1 O=C(O)/C=C/I Z2327124440 [0,2,0,0,0,0|1,0,0]=3 86 B5R0.1 O=C(O)CCCl Z203045320 [0,2,0,0,0,0|1,0,0]=3 87 B5R0.1 O=C(O)CCS Z104474322 [0,2,0,0,0,0|0,1,0]=3 88 B5R0.1 O=C(O)CNO Z1205493750 [0,2,0,0,0,0|0,0,0]=2 89 B5R0.3 CC/C(=N/O)/N Z241067842 [0,2,0,0,0,0|2,0,0]=4 90 B5R0.3 CCC(=O)CC Z104476878 [0,2,0,0,0,0|2,0,0]=4 91 B5R0.3 CCC(=O)CN Z1203579016 [0,2,0,0,0,0|2,0,0]=4 92 B5R0.3 CCC(=O)NN Z56886418 [0,2,0,0,0,0|2,0,0]=4 93 B5R0.3 CCC(O)CO Z600450538 [0,2,0,0,0,0|1,0,1]=4 94 B5R0.3 CNC(=O)CCl Z56891219 [0,2,0,0,0,0|2,0,0]=4 95 B5R0.3 CNC(=O)CN Z57981102 [0,2,0,0,0,0|2,0,0]=4 96 B5R0.3 CNC(=O)CO Z431952700 [0,2,0,0,0,0|1,0,0]=3 97 B5R0.3 CNC(=O)CS Z1203730878 [0,2,0,0,0,0|1,1,0]=4 98 B5R0.3 COC(=O)CN Z57042020 [0,2,0,0,0,0|1,0,0]=3 99 B5R0.3 COC(C)CO Z1198150719 [0,2,0,0,0,0|1,0,1]=4 100 B5R0.3 N=C(CN)NO Z223781376 [0,2,0,0,0,0|2,0,0]=4 101 B5R0.3 NC(CO)CO Z1203577940 [0,2,0,0,0,0|1,0,1]=4 102 B5R0.3 NCC(=O)CN Z1198147360 [0,2,0,0,0,0|2,0,0]=4 103 B5R0.3 O=C(CO)CO Z1255442144 [0,2,0,0,0,0|0,0,0]=2 104 B5R0.3 OC/C(=C/I)/I Z4691071538 [0,2,0,0,0,0|2,0,0]=4 105 B5R0.3 OCC(O)CO Z104473548 [0,2,0,0,0,0|0,0,2]=4 106 B5R0.3 OCC(O)CS Z1255382958 [0,2,0,0,0,0|0,1,1]=4 107 B5R0.4 CC(C)(O)CO Z600454414 [0,2,0,0,0,0|1,0,1]=4 108 B5R0.4 COS(=O)(=O)C Z133684226 [0,2,0,0,0,0|1,0,1]=4 109 B5R0.4 COS(=O)(=O)N Z300238034 [0,2,0,0,0,0|1,0,1]=4 110 B5R0.5 C=C(Cl)C(=O)O Z1201617183 [0,2,0,0,0,0|1,0,0]=3 111 B5R0.5 CC(=O)C(=O)O Z104495240 [0,2,0,0,0,0|0,0,1]=3 112 B5R0.5 CC(=O)C(C)N Z1263529525 [0,2,0,0,0,0|2,0,0]=4 113 B5R0.5 CC(Br)C(=O)O Z57127555 [0,2,0,0,0,0|1,0,0]=3 114 B5R0.5 CC(C)C(=O)N Z57046209 [0,2,0,0,0,0|2,0,0]=4 115 B5R0.5 CC(C)C(=O)O Z104473380 [0,2,0,0,0,0|1,0,0]=3 116 B5R0.5 CC(Cl)C(=O)N Z56924427 [0,2,0,0,0,0|2,0,0]=4 117 B5R0.5 CC(Cl)C(=O)O Z147646840 [0,2,0,0,0,0|1,0,0]=3 118 B5R0.5 CC(N)C(=O)N Z54749436 [0,2,0,0,0,0|2,0,0]=4 119 B5R0.5 CC(N)C(=O)O Z57396987 [0,2,0,0,0,0|1,0,0]=3 120 B5R0.5 CC(O)C(=N)N Z2216711526 [0,2,0,0,0,0|2,0,0]=4 121 B5R0.5 CC(O)C(=O)N Z57206008 [0,2,0,0,0,0|1,0,0]=3 122 B5R0.5 CC(O)C(C)O Z104473532 [0,2,0,0,0,0|1,0,1]=4 123 B5R0.5 CC(S)C(=O)O Z104477082 [0,2,0,0,0,0|0,1,0]=3 124 B5R0.5 C[C@@H](N)C(=O)O Z802692914 [0,2,0,0,0,0|1,0,0]=3 125 B5R0.5 C[C@H](N)C(=O)N Z359371050 [0,2,0,0,0,0|2,0,0]=4 126 B5R0.5 C[C@H](N)C(=O)O Z756424912 [0,2,0,0,0,0|1,0,0]=3 127 B5R0.5 NC(=O)C(F)F Z33546481 [0,2,0,0,0,0|2,0,0]=4 128 B5R0.5 O=C(O)C(=O)O Z1741978903 [0,2,0,0,0,0|0,0,0]=2 129 B5R0.5 O=C(O)C(Cl)Cl Z104476414 [0,2,0,0,0,0|1,0,0]=3 130 B5R0.5 O=C(O)C(F)F Z104474070 [0,2,0,0,0,0|1,0,0]=3 131 B5R1.2 O=C1CCO1 Z1089877620 [0,1,0,1,0,0|1,0,0]=3 132 B5R1.2 OC1COC1 Z1123686553 [0,1,0,1,0,0|1,0,1]=4 133 B5R1.3 OCC1CO1 Z104476180 [0,1,0,1,0,0|1,0,1]=4 134 B5R1.3 OC[C@@H]1CO1 Z1222330631 [0,1,0,1,0,0|1,0,1]=4 135 B5R1.3 OC[C@H]1CO1 Z1222330633 [0,1,0,1,0,0|1,0,1]=4