0 B3R0.1 C=CCO Z104473976 [0,0,0,0,0,0|0,0,2]=2 1 B3R0.1 I/C=C/I Z2417817184 [0,0,0,0,0,0|2,0,0]=2 2 B3R0.1 N#CCN Z1210869368 [0,0,0,0,0,0|2,0,2]=4 3 B3R0.1 N/C=N/O Z156964716 [0,0,0,0,0,0|2,0,1]=3 4 B3R0.1 NCCF Z1966571823 [0,0,0,0,0,0|2,0,2]=4 5 B3R0.1 NCCN Z104473714 [0,0,0,0,0,0|2,0,2]=4 6 B3R0.1 NCCO Z104473700 [0,0,0,0,0,0|1,0,3]=4 7 B3R0.1 NCCS Z104474494 [0,0,0,0,0,0|1,1,2]=4 8 B3R0.1 OCCS Z104473584 [0,0,0,0,0,0|1,0,3]=4 9 B2R0.1 CNC Z57834054 [1,0,0,0,0,0|1,0,2]=4 10 B2R0.1 Cl[Pt]Cl Z3182781436 [1,0,0,0,0,0|3,0,0]=4 11 B4R0.1 C#CC(=O)O Z104493798 [0,1,0,0,0,0|0,0,2]=3 12 B4R0.1 C=C(Br)CN Z600439032 [0,1,0,0,0,0|1,0,1]=3 13 B4R0.1 C=C(Br)CO Z600440434 [0,1,0,0,0,0|0,0,2]=3 14 B4R0.1 C=CC(=C)C Z104474660 [0,1,0,0,0,0|1,0,0]=2 15 B4R0.1 C=CC(=O)O Z57127944 [0,1,0,0,0,0|0,0,0]=1 16 B4R0.1 C=CC(C)N Z1446855743 [0,1,0,0,0,0|1,0,1]=3 17 B4R0.1 CC(=O)C=O Z104495190 [0,1,0,0,0,0|0,0,1]=2 18 B4R0.1 CC(=O)CN Z1262398366 [0,1,0,0,0,0|1,0,1]=3 19 B4R0.1 CC(=O)NN Z58981787 [0,1,0,0,0,0|2,0,0]=3 20 B4R0.1 CC(=O)NO Z59181917 [0,1,0,0,0,0|2,0,0]=3 21 B4R0.1 CCC(=N)N Z1741969146 [0,1,0,0,0,0|1,0,2]=4 22 B4R0.1 CCC(=O)N Z33546482 [0,1,0,0,0,0|0,0,2]=3 23 B4R0.1 CCC(=O)O Z104474154 [0,1,0,0,0,0|0,0,2]=3 24 B4R0.1 CCC(=S)N Z241091446 [0,1,0,0,0,0|0,1,2]=4 25 B4R0.1 CN(C)N=O Z1255485177 [0,1,0,0,0,0|2,0,1]=4 26 B4R0.1 CNC(=N)C Z2146515751 [0,1,0,0,0,0|2,0,1]=4 27 B4R0.1 CNC(=O)C Z32016274 [0,1,0,0,0,0|1,0,1]=3 28 B4R0.1 CNC(=O)N Z56932989 [0,1,0,0,0,0|1,0,1]=3 29 B4R0.1 COC(=N)N Z1741976783 [0,1,0,0,0,0|2,0,1]=4 30 B4R0.1 COC(=O)N Z104476722 [0,1,0,0,0,0|1,0,1]=3 31 B4R0.1 CSC(=N)N Z1741980405 [0,1,0,0,0,0|2,0,1]=4 32 B4R0.1 ClC=C(Cl)Cl Z104473870 [0,1,0,0,0,0|2,0,0]=3 33 B4R0.1 N=C(N)CCl Z204878288 [0,1,0,0,0,0|2,0,1]=4 34 B4R0.1 N=C(N)CN Z3798800325 [0,1,0,0,0,0|2,0,1]=4 35 B4R0.1 N=C(N)CO Z1259341033 [0,1,0,0,0,0|1,0,2]=4 36 B4R0.1 N=C(N)NN Z1259217988 [0,1,0,0,0,0|3,0,0]=4 37 B4R0.1 NC(=O)CF Z104475768 [0,1,0,0,0,0|1,0,1]=3 38 B4R0.1 NC(=O)CI Z1080376832 [0,1,0,0,0,0|1,0,1]=3 39 B4R0.1 NC(=O)CO Z424788508 [0,1,0,0,0,0|1,0,1]=3 40 B4R0.1 NC(=O)NO Z1203577934 [0,1,0,0,0,0|2,0,0]=3 41 B4R0.1 NCC(=O)N Z1262254285 [0,1,0,0,0,0|1,0,1]=3 42 B4R0.1 NCC(=O)O Z955123660 [0,1,0,0,0,0|1,0,1]=3 43 B4R0.1 NNC(=O)N Z104473922 [0,1,0,0,0,0|2,0,0]=3 44 B4R0.1 O=C(O)CBr Z104473018 [0,1,0,0,0,0|1,0,1]=3 45 B4R0.1 O=C(O)CO Z104473274 [0,1,0,0,0,0|1,0,1]=3 46 B4R0.1 O=[N+]([O-])CBr Z1255485348 [0,1,0,0,0,0|2,0,1]=4 47 B4R0.2 C=NCC#N Z425450894 [0,1,0,0,0,0|1,0,2]=4 48 B4R0.2 NC/C=C/Cl Z2941400887 [0,1,0,0,0,0|1,0,1]=3 49 B3R0.2 CC(=O)N Z33546370 [1,1,0,0,0,0|0,0,1]=3 50 B3R0.2 CC(=O)O Z1954803614 [1,1,0,0,0,0|0,0,1]=3 51 B3R0.2 CC(=O)[S-] Z1142554016 [1,1,0,0,0,0|0,0,1]=3 52 B3R0.2 NC(=O)N Z104473900 [1,1,0,0,0,0|1,0,0]=3 53 B5R0.1 C#CCC(=O)O Z295890060 [0,2,0,0,0,0|0,0,2]=4 54 B5R0.1 C/C(=C\C#N)/[O-] Z90662985 [0,2,0,0,0,0|0,0,2]=4 55 B5R0.1 C/C=C/C(=O)O Z104476026 [0,2,0,0,0,0|0,0,0]=2 56 B5R0.1 C=C(C)CCN Z1203582475 [0,2,0,0,0,0|1,0,1]=4 57 B5R0.1 C=CCC(C)N Z1269638561 [0,2,0,0,0,0|1,0,1]=4 58 B5R0.1 CC#CC(=O)N Z1203579284 [0,2,0,0,0,0|0,0,2]=4 59 B5R0.1 CC(=CC#N)C Z851014248 [0,2,0,0,0,0|1,0,1]=4 60 B5R0.1 CC(=CCN)C Z1827897919 [0,2,0,0,0,0|1,0,1]=4 61 B5R0.1 CC(=O)CCO Z906206900 [0,2,0,0,0,0|0,0,2]=4 62 B5R0.1 CC(C)NC=O Z1201617634 [0,2,0,0,0,0|0,0,2]=4 63 B5R0.1 CCCC(=O)N Z33546461 [0,2,0,0,0,0|0,0,2]=4 64 B5R0.1 CCCC(=O)O Z104495380 [0,2,0,0,0,0|0,0,2]=4 65 B5R0.1 CCOC(=O)N Z33546369 [0,2,0,0,0,0|0,0,2]=4 66 B5R0.1 CNCC(=O)N Z415678308 [0,2,0,0,0,0|0,0,2]=4 67 B5R0.1 CNCC(=O)O Z104480276 [0,2,0,0,0,0|0,0,2]=4 68 B5R0.1 COCC(=O)N Z33546778 [0,2,0,0,0,0|0,0,2]=4 69 B5R0.1 COCC(=O)O Z104477404 [0,2,0,0,0,0|0,0,2]=4 70 B5R0.1 CSCC(=O)N Z33545668 [0,2,0,0,0,0|0,0,2]=4 71 B5R0.1 N#CCC(=O)N Z56896153 [0,2,0,0,0,0|0,0,2]=4 72 B5R0.1 N#CCC(=O)O Z104476112 [0,2,0,0,0,0|0,0,2]=4 73 B5R0.1 N=C(N)NC=O Z1203578554 [0,2,0,0,0,0|1,0,0]=3 74 B5R0.1 NC(=O)CCO Z431951940 [0,2,0,0,0,0|0,0,2]=4 75 B5R0.1 NCC=C(Cl)Cl Z2469606492 [0,2,0,0,0,0|1,0,1]=4 76 B5R0.1 NCC=C(F)F Z4511316967 [0,2,0,0,0,0|1,0,1]=4 77 B5R0.1 NCCC(=O)N Z415728050 [0,2,0,0,0,0|0,0,2]=4 78 B5R0.1 NCCC(=O)O Z57127544 [0,2,0,0,0,0|0,0,2]=4 79 B5R0.1 NOCC(=O)O Z90662171 [0,2,0,0,0,0|1,0,1]=4 80 B5R0.1 O=C(O)/C=C/I Z2327124440 [0,2,0,0,0,0|0,0,0]=2 81 B5R0.1 O=C(O)CCCl Z203045320 [0,2,0,0,0,0|0,0,2]=4 82 B5R0.1 O=C(O)CCS Z104474322 [0,2,0,0,0,0|0,0,2]=4 83 B5R0.1 O=C(O)CNO Z1205493750 [0,2,0,0,0,0|1,0,1]=4 84 B5R0.3 C=C(CC)CN Z2238934536 [0,2,0,0,0,0|1,0,1]=4 85 B5R0.3 C=CC(N)CO Z2146514374 [0,2,0,0,0,0|0,0,2]=4 86 B5R0.3 CCC(=O)CC Z104476878 [0,2,0,0,0,0|0,0,2]=4 87 B5R0.3 CCC(=O)CN Z1203579016 [0,2,0,0,0,0|0,0,2]=4 88 B5R0.3 CCC(=O)NN Z56886418 [0,2,0,0,0,0|0,0,2]=4 89 B5R0.3 CCN(C)C=O Z1258520870 [0,2,0,0,0,0|0,0,2]=4 90 B5R0.3 CNC(=O)CCl Z56891219 [0,2,0,0,0,0|1,0,1]=4 91 B5R0.3 CNC(=O)CN Z57981102 [0,2,0,0,0,0|1,0,1]=4 92 B5R0.3 CNC(=O)CO Z431952700 [0,2,0,0,0,0|1,0,1]=4 93 B5R0.3 CNC(=O)CS Z1203730878 [0,2,0,0,0,0|1,0,1]=4 94 B5R0.3 COC(=O)CN Z57042020 [0,2,0,0,0,0|1,0,1]=4 95 B5R0.3 NCC(=O)CN Z1198147360 [0,2,0,0,0,0|1,0,1]=4 96 B5R0.3 O=C(CO)CO Z1255442144 [0,2,0,0,0,0|1,0,1]=4 97 B5R0.3 OC/C(=C/I)/I Z4691071538 [0,2,0,0,0,0|0,0,2]=4 98 B5R0.4 C=CC(C)(C)N Z2940715337 [0,2,0,0,0,0|1,0,1]=4 99 B5R0.4 C=CS(=O)(=O)C Z608051272 [0,2,0,0,0,0|1,0,0]=3 100 B5R0.5 C=C(Cl)C(=O)O Z1201617183 [0,2,0,0,0,0|0,0,0]=2 101 B5R0.5 CC(=C(Cl)Cl)Cl Z1198148250 [0,2,0,0,0,0|1,0,1]=4 102 B5R0.5 CC(=O)C(=O)O Z104495240 [0,2,0,0,0,0|0,0,1]=3 103 B5R0.5 CC(=O)C(C)N Z1263529525 [0,2,0,0,0,0|0,0,2]=4 104 B5R0.5 CC(Br)C(=O)O Z57127555 [0,2,0,0,0,0|0,0,2]=4 105 B5R0.5 CC(C)C(=O)N Z57046209 [0,2,0,0,0,0|0,0,2]=4 106 B5R0.5 CC(C)C(=O)O Z104473380 [0,2,0,0,0,0|0,0,2]=4 107 B5R0.5 CC(Cl)C(=O)N Z56924427 [0,2,0,0,0,0|0,0,2]=4 108 B5R0.5 CC(Cl)C(=O)O Z147646840 [0,2,0,0,0,0|0,0,2]=4 109 B5R0.5 CC(N)C(=O)N Z54749436 [0,2,0,0,0,0|0,0,2]=4 110 B5R0.5 CC(N)C(=O)O Z57396987 [0,2,0,0,0,0|0,0,2]=4 111 B5R0.5 CC(O)C(=O)N Z57206008 [0,2,0,0,0,0|0,0,2]=4 112 B5R0.5 CC(S)C(=O)O Z104477082 [0,2,0,0,0,0|0,0,2]=4 113 B5R0.5 C[C@@H](N)C(=O)O Z802692914 [0,2,0,0,0,0|0,0,2]=4 114 B5R0.5 C[C@H](N)C(=O)N Z359371050 [0,2,0,0,0,0|0,0,2]=4 115 B5R0.5 C[C@H](N)C(=O)O Z756424912 [0,2,0,0,0,0|0,0,2]=4 116 B5R0.5 NC(=O)C(F)F Z33546481 [0,2,0,0,0,0|1,0,1]=4 117 B5R0.5 NC(=S)C(=S)N Z56347000 [0,2,0,0,0,0|1,1,0]=4 118 B5R0.5 O=C(O)C(=O)O Z1741978903 [0,2,0,0,0,0|1,0,0]=3 119 B5R0.5 O=C(O)C(Cl)Cl Z104476414 [0,2,0,0,0,0|1,0,1]=4 120 B5R0.5 O=C(O)C(F)F Z104474070 [0,2,0,0,0,0|1,0,1]=4 121 B5R0.2 C/C=C/CCN Z1268152372 [0,2,0,0,0,0|1,0,1]=4 122 B5R0.2 C/C=C/OCC Z281777810 [0,2,0,0,0,0|0,0,2]=4 123 B5R0.2 C=C/C=C/CN Z3270208113 [0,2,0,0,0,0|1,0,0]=3 124 B5R0.2 C=CCCC#N Z1219746591 [0,2,0,0,0,0|1,0,1]=4 125 B5R0.2 C=CCCCN Z993058434 [0,2,0,0,0,0|1,0,1]=4 126 B5R0.2 C=CCN=C=S Z104472178 [0,2,0,0,0,0|0,1,1]=4 127 B5R0.2 C=CCNCC Z2044769224 [0,2,0,0,0,0|1,0,1]=4 128 B5R0.2 CCCCC=O Z104472992 [0,2,0,0,0,0|0,0,2]=4 129 B5R0.2 NC/C=C/CN Z2235386837 [0,2,0,0,0,0|1,0,1]=4 130 B5R0.2 OC/C=C/CO Z237581088 [0,2,0,0,0,0|0,0,2]=4 131 B5R1.2 O=C1CCO1 Z1089877620 [0,1,0,1,0,0|0,0,2]=4 132 B5R1.1 C1=CCNC1 Z2306624771 [0,1,0,1,0,0|1,0,1]=4 133 B5R1.1 C1=CNC=C1 Z104479036 [0,1,0,1,0,0|1,0,0]=3 134 B5R1.1 C1=CNC=N1 Z104472692 [0,1,0,1,0,0|1,0,0]=3 135 B5R1.1 C1=CNN=C1 Z104507728 [0,1,0,1,0,0|1,0,0]=3 136 B5R1.1 C1=CNN=N1 Z237528494 [0,1,0,1,0,0|2,0,0]=4 137 B5R1.1 C1=NN=CN1 Z104479156 [0,1,0,1,0,0|2,0,0]=4 138 B5R1.1 C1=NN=CS1 Z1198156558 [0,1,0,1,0,0|1,1,0]=4