0 B4R0.3 C[N+](C)(C)C S433764 [0,0,0,0,0,0|2,0,0]=2 1 B4R0.3 C[N+](C)(C)C S933384 [0,0,0,0,0,0|2,0,0]=2 2 B4R0.3 C[SH+](C)(C)O S311383 [0,0,0,0,0,0|1,0,0]=1 3 B4R0.3 O=S(=O)(O)O R278998 [0,0,0,0,0,0|4,0,0]=4 4 B3R0.2 BC(=O)O R277436 [1,0,0,0,0,0|2,0,1]=4 5 B3R0.2 CC(=O)O R252506 [1,0,0,0,0,0|1,0,1]=3 6 B3R0.2 CC(=O)O R252999 [1,0,0,0,0,0|1,0,1]=3 7 B3R0.2 CC(C)N CDS000378 [1,0,0,0,0,0|1,0,0]=2 8 B3R0.2 CN(C)C S434639 [1,0,0,0,0,0|1,0,0]=2 9 B3R0.2 CS(=O)[O-] S946621 [1,0,0,0,0,0|2,0,1]=4 10 B5R0.4 CC(C)(O)CN CDS007515 [0,1,0,0,0,0|0,0,0]=1 11 B5R0.4 CNP(=S)(O)O PH013342 [0,1,0,0,0,0|3,0,0]=4 12 B4R0.1 C#CC(C)N CDS010388 [1,1,0,0,0,0|1,0,1]=4 13 B4R0.1 C=C(C)CN CDS003053 [1,1,0,0,0,0|0,0,2]=4 14 B4R0.1 CC(=O)CN CDS020585 [1,1,0,0,0,0|0,0,2]=4 15 B4R0.1 CC(C)NN CDS002505 [1,1,0,0,0,0|1,0,0]=3 16 B4R0.1 CC(C)NN CDS002842 [1,1,0,0,0,0|1,0,0]=3 17 B4R0.1 CCB(O)O CDS003542 [1,1,0,0,0,0|2,0,0]=4 18 B4R0.1 CSC(=O)C CDS001513 [1,1,0,0,0,0|0,0,2]=4 19 B4R0.1 NCC(F)F CDS002768 [1,1,0,0,0,0|2,0,0]=4 20 B4R0.1 O=C(O)CS CDS000504 [1,1,0,0,0,0|1,0,1]=4 21 B6R0.5 C(=C\C(C)(C)C)\C S411922 [0,2,0,0,0,0|1,0,0]=3 22 B6R0.5 C(=C\C(C)(C)C)\C S437441 [0,2,0,0,0,0|1,0,0]=3 23 B6R0.5 C=CCC(C)(C)O S437506 [0,2,0,0,0,0|0,0,0]=2 24 B6R0.5 CC(C)(C)/C=N/O PH009800 [0,2,0,0,0,0|0,0,0]=2 25 B6R0.5 CC(C)(C)CC#N PH014763 [0,2,0,0,0,0|1,0,0]=3 26 B6R0.5 CC(C)(C)CCCl S416630 [0,2,0,0,0,0|1,0,0]=3 27 B6R0.5 CC(C)(C)NC#N S435139 [0,2,0,0,0,0|1,0,0]=3 28 B6R0.5 CC(C)(Cl)CCCl S434116 [0,2,0,0,0,0|1,0,0]=3 29 B6R0.5 CC(C)(F)CCO PH018175 [0,2,0,0,0,0|1,0,0]=3 30 B6R0.5 CC(C)(O)C#CBr S881309 [0,2,0,0,0,0|0,0,1]=3 31 B6R0.5 CC(C)(O)CCCl CDS019086 [0,2,0,0,0,0|0,0,0]=2 32 B6R0.5 CC(C)(O)CCN CDS019270 [0,2,0,0,0,0|0,0,0]=2 33 B6R0.5 CCNC(C)(C)C CDS000392 [0,2,0,0,0,0|1,0,0]=3 34 B6R0.5 CNCC(C)(C)C CBR00855 [0,2,0,0,0,0|1,0,0]=3 35 B6R0.5 CNCC(C)(C)C CDS011416 [0,2,0,0,0,0|1,0,0]=3 36 B6R0.5 COCC(C)(C)N CBR00858 [0,2,0,0,0,0|1,0,0]=3 37 B6R0.7 CC(=O)C(C)(C)Br CDS022332 [0,2,0,0,0,0|1,0,0]=3 38 B6R0.7 CC(=O)C(C)(C)Cl S304212 [0,2,0,0,0,0|1,0,0]=3 39 B6R0.7 CC(C)(C)C(=N)N S168351 [0,2,0,0,0,0|1,0,0]=3 40 B6R0.7 CC(C)(Cl)[N+](=O)[O-] S565962 [0,2,0,0,0,0|1,0,1]=4 41 B6R0.7 CC(C)(N)C(=O)N CBR00900 [0,2,0,0,0,0|1,0,1]=4 42 B6R0.7 CC(C)(O)C(=O)[O-] R288195 [0,2,0,0,0,0|0,0,1]=3 43 B6R0.7 CC(C)C(C)(C)N CBR02430 [0,2,0,0,0,0|1,0,0]=3 44 B6R0.7 CC(N)C(C)(C)C CDS001121 [0,2,0,0,0,0|1,0,0]=3 45 B6R0.7 CC(O)C(C)(C)O S937371 [0,2,0,0,0,0|0,0,0]=2 46 B6R0.7 C[Si](C)(Cl)C(Cl)Cl S570664 [0,2,0,0,0,0|1,1,0]=4 47 B6R0.8 C(=O)C(C)(C)CO R425931 [0,2,0,0,0,0|0,0,1]=3 48 B6R0.8 C=CC(C)(C)CC R289280 [0,2,0,0,0,0|1,0,0]=3 49 B6R0.8 CC(C)(C#N)CCl PH008506 [0,2,0,0,0,0|1,0,0]=3 50 B6R0.8 CC(Cl)(C=O)CCl PH007234 [0,2,0,0,0,0|1,0,1]=4 51 B6R0.8 CC(Cl)(CCl)CCl S392057 [0,2,0,0,0,0|1,0,0]=3 52 B6R0.8 COP(=O)(O)OC CDS014665 [0,2,0,0,0,0|2,0,0]=4 53 B6R0.8 ClCC(Cl)(Br)CBr S373303 [0,2,0,0,0,0|2,0,0]=4 54 B6R0.8 ClCC(Cl)(Cl)CCl PH011447 [0,2,0,0,0,0|2,0,0]=4 55 B6R0.8 O=P(O)(CO)CO S406821 [0,2,0,0,0,0|2,0,0]=4 56 B6R0.8 [NH2+](C)C(C)(C)CO R258164 [0,2,0,0,0,0|0,0,0]=2 57 B6R1.7 NCC1(CC1)O CDS009576 [0,1,0,1,0,0|0,0,0]=2 58 B6R1.9 CC1CC1(C)C R289639 [0,1,0,1,0,0|1,0,0]=3 59 B6R1.9 NC1CC1(F)F CDS001959 [0,1,0,1,0,0|2,0,0]=4