0 B3R0.2 BC(=O)O R277436 [0,0,0,0,0,0|2,0,0]=2 1 B3R0.2 CC(=O)O R252506 [0,0,0,0,0,0|2,0,0]=2 2 B3R0.2 CC(=O)O R252999 [0,0,0,0,0,0|2,0,0]=2 3 B3R0.2 CC(C)N CDS000378 [0,0,0,0,0,0|2,0,1]=3 4 B3R0.2 CN(C)C S434639 [0,0,0,0,0,0|4,0,0]=4 5 B3R0.2 CS(=O)[O-] S946621 [0,0,0,0,0,0|3,0,0]=3 6 B3R0.2 O=[N+]([O-])[O-] CDS001582 [0,0,0,0,0,0|3,0,0]=3 7 B2R0.1 Cl[Cu]Cl CDS007432 [1,0,0,0,0,0|3,0,0]=4 8 B4R0.1 C#CC(C)N CDS010388 [0,1,0,0,0,0|2,0,1]=4 9 B4R0.1 C(=O)C(=O)[O-] S573140 [0,1,0,0,0,0|2,0,0]=3 10 B4R0.1 C=C(C)CN CDS003053 [0,1,0,0,0,0|2,0,0]=3 11 B4R0.1 CC(=O)CN CDS020585 [0,1,0,0,0,0|1,0,0]=2 12 B4R0.1 CC(C)NN CDS002505 [0,1,0,0,0,0|2,0,1]=4 13 B4R0.1 CC(C)NN CDS002842 [0,1,0,0,0,0|2,0,1]=4 14 B4R0.1 CCC(=N)N CBR01339 [0,1,0,0,0,0|1,0,1]=3 15 B4R0.1 CCC(=O)[O-] CDS000543 [0,1,0,0,0,0|2,0,0]=3 16 B4R0.1 CCC(=S)N CDS000328 [0,1,0,0,0,0|1,1,0]=3 17 B4R0.1 CNC(=O)Cl CDS009330 [0,1,0,0,0,0|1,0,0]=2 18 B4R0.1 CSC(=O)C CDS001513 [0,1,0,0,0,0|2,0,0]=3 19 B4R0.1 NCC(F)F CDS002768 [0,1,0,0,0,0|2,0,1]=4 20 B4R0.1 O=C(O)CS CDS000504 [0,1,0,0,0,0|2,0,0]=3 21 B4R0.1 O=C([O-])CO CDS000626 [0,1,0,0,0,0|2,0,0]=3 22 B4R0.1 O=S(O)O[TlH2] S826111 [0,1,0,0,0,0|3,0,0]=4 23 B4R0.3 NS(=O)(=O)[O-] S828300 [0,1,0,0,0,0|2,0,0]=3 24 B4R0.3 O=S(=O)(O)O R278998 [0,1,0,0,0,0|3,0,0]=4 25 B4R0.3 O=S(=O)([O-])[O-] CDS004010 [0,1,0,0,0,0|3,0,0]=4 26 B4R0.3 O=S(=O)([O-])[O-] S461083 [0,1,0,0,0,0|3,0,0]=4 27 B4R0.3 O=S(=O)([O-])[O-] S461768 [0,1,0,0,0,0|3,0,0]=4 28 B4R0.3 O=[Cr](=O)([O-])[O-] CDS001277 [0,1,0,0,0,0|3,0,0]=4 29 B3R0.1 C=CCN CDS000416 [1,1,0,0,0,0|1,0,0]=3 30 B3R0.1 C=C[Hg]Cl S881899 [1,1,0,0,0,0|2,0,0]=4 31 B3R0.1 CCNC CDS013740 [1,1,0,0,0,0|1,0,1]=4 32 B3R0.1 N#CCN R288616 [1,1,0,0,0,0|0,0,2]=4 33 B3R0.1 NCCN S573019 [1,1,0,0,0,0|0,0,1]=3 34 B5R0.1 C=COC(=O)C S458201 [0,2,0,0,0,0|2,0,0]=4 35 B5R0.1 CC(=O)/C=C\N S312274 [0,2,0,0,0,0|1,0,0]=3 36 B5R0.1 CC(=O)CCN OTV000740 [0,2,0,0,0,0|1,0,0]=3 37 B5R0.1 CCNC(=N)N PH018983 [0,2,0,0,0,0|1,0,0]=3 38 B5R0.1 CCOC(=S)N PH003667 [0,2,0,0,0,0|1,0,1]=4 39 B5R0.1 CNCC(=O)C CBR02406 [0,2,0,0,0,0|1,0,0]=3 40 B5R0.1 COCC(=N)N CBR01671 [0,2,0,0,0,0|0,0,2]=4 41 B5R0.1 COCC(=O)N S371874 [0,2,0,0,0,0|1,0,0]=3 42 B5R0.1 CONC(=O)N S802999 [0,2,0,0,0,0|0,0,0]=2 43 B5R0.1 CSCC(=N)N OTV000870 [0,2,0,0,0,0|0,1,1]=4 44 B5R0.1 N=C(N)CCO PH014361 [0,2,0,0,0,0|0,0,2]=4 45 B5R0.1 NCCC(=O)N CDS000027 [0,2,0,0,0,0|0,0,0]=2 46 B5R0.1 O=C(O)/C=C/Cl R426903 [0,2,0,0,0,0|2,0,0]=4 47 B5R0.1 O=C(O)/C=C\I PH010791 [0,2,0,0,0,0|2,0,0]=4 48 B5R0.1 O=C(O)C[Hg]Cl S881910 [0,2,0,0,0,0|2,0,0]=4 49 B5R0.1 O=C([O-])/C=C\Cl T234753 [0,2,0,0,0,0|2,0,0]=4 50 B5R0.3 CCC(=O)CO R277614 [0,2,0,0,0,0|2,0,0]=4 51 B5R0.3 CNC(=O)CCl OTV000964 [0,2,0,0,0,0|1,0,0]=3 52 B5R0.3 CNC(=O)NN CDS019843 [0,2,0,0,0,0|0,0,0]=2 53 B5R0.3 CSC(=S)NN PH008635 [0,2,0,0,0,0|1,1,0]=4 54 B5R0.3 NCC(CN)N S741841 [0,2,0,0,0,0|1,0,1]=4 55 B5R0.4 CNS(=O)(=O)Cl CDS007250 [0,2,0,0,0,0|2,0,0]=4 56 B5R0.5 C=C(C)C(=O)C CDS000556 [0,2,0,0,0,0|2,0,0]=4 57 B5R0.5 C=C(C)C(=O)[O-] S457930 [0,2,0,0,0,0|2,0,0]=4 58 B5R0.5 C=C(C)C(=O)[O-] S460389 [0,2,0,0,0,0|2,0,0]=4 59 B5R0.5 C=C(C)C(=O)[O-] S461806 [0,2,0,0,0,0|2,0,0]=4 60 B5R0.5 CC(=O)C(C)F CDS002853 [0,2,0,0,0,0|2,0,0]=4 61 B5R0.5 CC(=S)N(C)C S622877 [0,2,0,0,0,0|1,1,0]=4 62 B5R0.5 CC(C)C(=N)N CDS015019 [0,2,0,0,0,0|1,0,1]=4 63 B5R0.5 CC(C)C(=S)N PH006913 [0,2,0,0,0,0|1,1,0]=4 64 B5R0.5 CC(O)C(=O)[O-] S933260 [0,2,0,0,0,0|2,0,0]=4 65 B5R0.5 O=C(O)C(=O)O S647829 [0,2,0,0,0,0|2,0,0]=4 66 B5R1.2 O=C1CSC1 SYX00053 [0,1,0,1,0,0|2,0,0]=4