0 B4R0.3 C[N+](C)(C)C S433764 [0,0,0,0,0,0|3,0,0]=3 1 B4R0.3 C[N+](C)(C)C S933384 [0,0,0,0,0,0|3,0,0]=3 2 B4R0.3 C[SH+](C)(C)O S311383 [0,0,0,0,0,0|1,0,2]=3 3 B4R0.3 NS(=O)(=O)[O-] S828300 [0,0,0,0,0,0|2,0,0]=2 4 B4R0.3 O=S(=O)(O)O R278998 [0,0,0,0,0,0|2,0,0]=2 5 B4R0.3 O=S(=O)([O-])[O-] CDS004010 [0,0,0,0,0,0|2,0,0]=2 6 B4R0.3 O=S(=O)([O-])[O-] S461083 [0,0,0,0,0,0|2,0,0]=2 7 B4R0.3 O=S(=O)([O-])[O-] S461768 [0,0,0,0,0,0|2,0,0]=2 8 B4R0.3 O=[Cr](=O)([O-])[O-] CDS001277 [0,0,0,0,0,0|3,0,0]=3 9 B3R0.2 BC(=O)O R277436 [1,0,0,0,0,0|2,0,1]=4 10 B3R0.2 CC(=O)O R252506 [1,0,0,0,0,0|1,0,1]=3 11 B3R0.2 CC(=O)O R252999 [1,0,0,0,0,0|1,0,1]=3 12 B3R0.2 CC(C)N CDS000378 [1,0,0,0,0,0|2,0,0]=3 13 B3R0.2 CN(C)C S434639 [1,0,0,0,0,0|2,0,0]=3 14 B3R0.2 CS(=O)[O-] S946621 [1,0,0,0,0,0|0,0,2]=3 15 B3R0.2 O=[N+]([O-])[O-] CDS001582 [1,0,0,0,0,0|2,0,1]=4 16 B5R0.4 CC(C)(O)CN CDS007515 [0,1,0,0,0,0|2,0,1]=4 17 B5R0.4 CCS(=O)(=O)[S-] S47822 [0,1,0,0,0,0|1,0,0]=2 18 B5R0.4 CNS(=O)(=O)Cl CDS007250 [0,1,0,0,0,0|1,0,0]=2 19 B5R0.4 O=S(=O)([O-])CBr S613940 [0,1,0,0,0,0|1,0,0]=2 20 B4R0.1 C(=O)C(=O)[O-] S573140 [1,1,0,0,0,0|2,0,0]=4 21 B4R0.1 C=C(C)CN CDS003053 [1,1,0,0,0,0|2,0,0]=4 22 B4R0.1 CC(=O)CN CDS020585 [1,1,0,0,0,0|1,0,0]=3 23 B4R0.1 CC(C)NN CDS002505 [1,1,0,0,0,0|2,0,0]=4 24 B4R0.1 CC(C)NN CDS002842 [1,1,0,0,0,0|2,0,0]=4 25 B4R0.1 CCC(=O)[O-] CDS000543 [1,1,0,0,0,0|1,0,1]=4 26 B4R0.1 CNC(=O)Cl CDS009330 [1,1,0,0,0,0|2,0,0]=4 27 B4R0.1 CSC(=O)C CDS001513 [1,1,0,0,0,0|1,0,0]=3 28 B4R0.1 O=C(O)CS CDS000504 [1,1,0,0,0,0|1,0,1]=4 29 B4R0.1 O=C([O-])CO CDS000626 [1,1,0,0,0,0|1,0,1]=4 30 B6R0.5 C=CCS(=O)(=O)Cl CDS002116 [0,2,0,0,0,0|1,0,0]=3 31 B6R0.5 C=CCS(=O)(=O)O PH008546 [0,2,0,0,0,0|1,0,0]=3 32 B6R0.5 C=CCS(=O)(=O)[O-] CDS010541 [0,2,0,0,0,0|1,0,0]=3 33 B6R0.5 CCCS(=O)(=O)[S-] S47857 [0,2,0,0,0,0|1,0,0]=3 34 B6R0.5 CCNS(=O)(=O)Cl CDS007313 [0,2,0,0,0,0|1,0,0]=3 35 B6R0.5 CCNS(=O)(=O)[O-] R464244 [0,2,0,0,0,0|1,0,0]=3 36 B6R0.5 CS(=O)(=O)CCN CDS005167 [0,2,0,0,0,0|0,0,0]=2 37 B6R0.5 O=S(=O)(Cl)CCBr PH016099 [0,2,0,0,0,0|1,0,0]=3 38 B6R0.5 O=S(=O)([O-])CCO CDS003508 [0,2,0,0,0,0|1,0,0]=3 39 B6R0.7 CC(=O)C(C)(C)Br CDS022332 [0,2,0,0,0,0|2,0,0]=4 40 B6R0.7 CC(=O)C(C)(C)Cl S304212 [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)(N)C(=O)N CBR00900 [0,2,0,0,0,0|2,0,0]=4 43 B6R0.7 CC(C)(O)C(=O)[O-] R288195 [0,2,0,0,0,0|1,0,1]=4 44 B6R0.7 CN(C)S(=O)(=O)C S616672 [0,2,0,0,0,0|0,0,0]=2 45 B6R0.8 C(=O)C(C)(C)CO R425931 [0,2,0,0,0,0|1,0,1]=4 46 B6R0.8 CC(Cl)(C=O)CCl PH007234 [0,2,0,0,0,0|2,0,0]=4 47 B6R0.8 COP(=O)(O)OC CDS014665 [0,2,0,0,0,0|1,0,1]=4 48 B6R0.8 O=P(O)(CO)CO S406821 [0,2,0,0,0,0|1,0,1]=4 49 B6R1.10 O=S1(=O)CCC1 S620734 [0,1,0,1,0,0|0,0,0]=2