0 B4R0.3 C[N+](C)(C)C S433764 [0,0,0,0,0,0|1,0,0]=1 1 B4R0.3 C[N+](C)(C)C S933384 [0,0,0,0,0,0|1,0,0]=1 2 B4R0.3 C[SH+](C)(C)O S311383 [0,0,0,0,0,0|1,0,1]=2 3 B4R0.3 NS(=O)(=O)[O-] S828300 [0,0,0,0,0,0|4,0,0]=4 4 B4R0.3 O=S(=O)([O-])[O-] CDS004010 [0,0,0,0,0,0|4,0,0]=4 5 B4R0.3 O=S(=O)([O-])[O-] S461083 [0,0,0,0,0,0|4,0,0]=4 6 B4R0.3 O=S(=O)([O-])[O-] S461768 [0,0,0,0,0,0|4,0,0]=4 7 B4R0.3 O=[Cr](=O)([O-])[O-] CDS001277 [0,0,0,0,0,0|4,0,0]=4 8 B3R0.2 CC(=O)O R252506 [1,0,0,0,0,0|2,0,1]=4 9 B3R0.2 CC(=O)O R252999 [1,0,0,0,0,0|2,0,1]=4 10 B3R0.2 CC(C)N CDS000378 [1,0,0,0,0,0|2,0,0]=3 11 B3R0.2 CN(C)C S434639 [1,0,0,0,0,0|0,0,1]=2 12 B3R0.2 CS(=O)[O-] S946621 [1,0,0,0,0,0|2,0,0]=3 13 B3R0.2 O=[N+]([O-])[O-] CDS001582 [1,0,0,0,0,0|2,0,1]=4 14 B5R0.4 CC(C)(O)CN CDS007515 [0,1,0,0,0,0|1,0,1]=3 15 B5R0.4 O=S(=O)([O-])CBr S613940 [0,1,0,0,0,0|3,0,0]=4 16 B4R0.1 C=C(C)CN CDS003053 [1,1,0,0,0,0|1,0,1]=4 17 B4R0.1 CC(=O)CN CDS020585 [1,1,0,0,0,0|1,0,1]=4 18 B4R0.1 CC(C)NN CDS002505 [1,1,0,0,0,0|2,0,0]=4 19 B4R0.1 CC(C)NN CDS002842 [1,1,0,0,0,0|2,0,0]=4 20 B4R0.1 CCC(=O)[O-] CDS000543 [1,1,0,0,0,0|2,0,0]=4 21 B4R0.1 CSC(=O)C CDS001513 [1,1,0,0,0,0|1,0,1]=4 22 B4R0.1 O=C([O-])CO CDS000626 [1,1,0,0,0,0|2,0,0]=4 23 B6R0.5 C(=C\C(C)(C)C)\C S411922 [0,2,0,0,0,0|2,0,0]=4 24 B6R0.5 C(=C\C(C)(C)C)\C S437441 [0,2,0,0,0,0|2,0,0]=4 25 B6R0.5 C=CCC(C)(C)O S437506 [0,2,0,0,0,0|1,0,1]=4 26 B6R0.5 CC(C)(C)/C=N/O PH009800 [0,2,0,0,0,0|1,0,1]=4 27 B6R0.5 CC(C)(C)CC#N PH014763 [0,2,0,0,0,0|2,0,0]=4 28 B6R0.5 CC(C)(C)CCCl S416630 [0,2,0,0,0,0|2,0,0]=4 29 B6R0.5 CC(C)(C)NC#N S435139 [0,2,0,0,0,0|2,0,0]=4 30 B6R0.5 CC(C)(Cl)CCCl S434116 [0,2,0,0,0,0|2,0,0]=4 31 B6R0.5 CC(C)(F)CCO PH018175 [0,2,0,0,0,0|2,0,0]=4 32 B6R0.5 CC(C)(O)CCCl CDS019086 [0,2,0,0,0,0|1,0,1]=4 33 B6R0.5 CC(C)(O)CCN CDS019270 [0,2,0,0,0,0|1,0,1]=4 34 B6R0.5 CCNC(C)(C)C CDS000392 [0,2,0,0,0,0|2,0,0]=4 35 B6R0.5 CNCC(C)(C)C CBR00855 [0,2,0,0,0,0|2,0,0]=4 36 B6R0.5 CNCC(C)(C)C CDS011416 [0,2,0,0,0,0|2,0,0]=4 37 B6R0.5 COCC(C)(C)N CBR00858 [0,2,0,0,0,0|2,0,0]=4 38 B6R0.7 CC(=O)C(C)(C)Br CDS022332 [0,2,0,0,0,0|2,0,0]=4 39 B6R0.7 CC(=O)C(C)(C)Cl S304212 [0,2,0,0,0,0|2,0,0]=4 40 B6R0.7 CC(C)(C)C(=N)N S168351 [0,2,0,0,0,0|2,0,0]=4 41 B6R0.7 CC(C)(Cl)[N+](=O)[O-] S565962 [0,2,0,0,0,0|2,0,0]=4 42 B6R0.7 CC(C)(O)C(=O)[O-] R288195 [0,2,0,0,0,0|2,0,0]=4 43 B6R0.7 CC(C)C(C)(C)N CBR02430 [0,2,0,0,0,0|2,0,0]=4 44 B6R0.7 CC(N)C(C)(C)C CDS001121 [0,2,0,0,0,0|2,0,0]=4 45 B6R0.7 CC(O)C(C)(C)O S937371 [0,2,0,0,0,0|1,0,1]=4 46 B6R0.7 C[Si](C)(Cl)C(Cl)Cl S570664 [0,2,0,0,0,0|2,0,0]=4 47 B6R0.8 C(=O)C(C)(C)CO R425931 [0,2,0,0,0,0|1,0,1]=4 48 B6R0.8 C=CC(C)(C)CC R289280 [0,2,0,0,0,0|2,0,0]=4 49 B6R0.8 CC(C)(C#N)CCl PH008506 [0,2,0,0,0,0|2,0,0]=4 50 B6R0.8 CC(Cl)(CCl)CCl S392057 [0,2,0,0,0,0|2,0,0]=4 51 B6R0.8 [NH2+](C)C(C)(C)CO R258164 [0,2,0,0,0,0|1,0,1]=4 52 B6R1.7 NCC1(CC1)O CDS009576 [0,1,0,1,0,0|1,0,1]=4 53 B6R1.9 CC1CC1(C)C R289639 [0,1,0,1,0,0|2,0,0]=4