0 B4R0.2 CCCCO D03200 [0,0,0,0,0,0|2,0,0]=2 1 B4R0.2 CCOCC D01772 [0,0,0,0,0,0|0,1,0]=1 2 B4R0.2 COCCO D05554 [0,0,0,0,0,0|3,0,0]=3 3 B3R0.1 CCCC D03186 [1,0,0,0,0,0|0,0,0]=1 4 B3R0.1 NCCN D01114 [1,0,0,0,0,0|2,0,0]=3 5 B3R0.1 NCCO D05074 [1,0,0,0,0,0|2,0,0]=3 6 B3R0.1 NCCS D03634 [1,0,0,0,0,0|2,0,0]=3 7 B3R0.1 NCCS D03635 [1,0,0,0,0,0|2,0,0]=3 8 B3R0.1 OCCO D03370 [1,0,0,0,0,0|2,0,0]=3 9 B3R0.1 OCCO D06418 [1,0,0,0,0,0|2,0,0]=3 10 B3R0.1 OCCO D06419 [1,0,0,0,0,0|2,0,0]=3 11 B3R0.1 OCCO D06420 [1,0,0,0,0,0|2,0,0]=3 12 B3R0.1 OCCO D06421 [1,0,0,0,0,0|2,0,0]=3 13 B3R0.1 OCCO D06422 [1,0,0,0,0,0|2,0,0]=3 14 B3R0.1 OCCO D06423 [1,0,0,0,0,0|2,0,0]=3 15 B5R0.1 CC(O)CCO D10695 [0,1,0,0,0,0|2,0,0]=3 16 B5R0.1 CC(O)C[197Hg]O D04940 [0,1,0,0,0,0|3,0,0]=4 17 B5R0.1 CCCC(=O)[O-] D08998 [0,1,0,0,0,0|2,0,1]=4 18 B5R0.1 CCOC(C)=O D02319 [0,1,0,0,0,0|0,1,1]=3 19 B5R0.1 CN(C)CCO D07777 [0,1,0,0,0,0|3,0,0]=4 20 B5R0.1 CN(C)CCS D03376 [0,1,0,0,0,0|3,0,0]=4 21 B5R0.3 O=C(CO)CO D07841 [0,1,0,0,0,0|3,0,0]=4 22 B5R0.3 OCC(O)CO D00028 [0,1,0,0,0,0|3,0,0]=4 23 B5R0.3 OCC(O)CS D05075 [0,1,0,0,0,0|3,0,0]=4 24 B5R0.3 OCC(S)CS D00167 [0,1,0,0,0,0|3,0,0]=4 25 B5R1.2 O=C1CCO1 D05630 [0,0,0,1,0,0|1,1,1]=4 26 B5R1.3 ClCC1CO1 D01983 [0,0,0,1,0,0|3,0,0]=4 27 B5R1.3 ClCC1CO1 D08512 [0,0,0,1,0,0|3,0,0]=4 28 B2R0.1 CCC D05625 [2,0,0,0,0,0|0,0,0]=2 29 B2R0.1 CCCl D04088 [2,0,0,0,0,0|1,0,0]=3 30 B2R0.1 CCO D00068 [2,0,0,0,0,0|0,1,0]=3 31 B2R0.1 ClCCl D02330 [2,0,0,0,0,0|2,0,0]=4 32 B2R0.1 [Na]S[Na] D09001 [2,0,0,0,0,0|2,0,0]=4 33 B4R0.1 CC(O)CO D00078 [1,1,0,0,0,0|1,0,0]=3 34 B4R0.1 CCC(=O)O D02310 [1,1,0,0,0,0|1,0,1]=4 35 B4R0.1 CCC(=O)[O-] D05872 [1,1,0,0,0,0|1,0,1]=4 36 B4R0.1 CCC(=O)[O-] D08440 [1,1,0,0,0,0|1,0,1]=4 37 B4R0.1 [*]CC([*])C D05545 [1,1,0,0,0,0|1,0,0]=3 38 B4R0.1 [*]CC([*])O D02320 [1,1,0,0,0,0|2,0,0]=4 39 B6R0.2 CC(=O)CC(C)C D04989 [0,2,0,0,0,0|1,0,1]=4 40 B6R0.2 CC(C)NC(C)C D01816 [0,2,0,0,0,0|1,0,0]=3 41 B6R0.2 CC(C)[NH2+]C(C)C D07842 [0,2,0,0,0,0|1,0,0]=3 42 B6R0.6 OCCNCCO D02337 [0,2,0,0,0,0|1,0,0]=3 43 B4R1.2 CC1CO1 D01941 [1,0,0,1,0,0|0,1,0]=3 44 B4R1.2 CC1CO1 D09803 [1,0,0,1,0,0|0,1,0]=3 45 B4R1.2 CC1CO1 D10680 [1,0,0,1,0,0|0,1,0]=3 46 B6R1.1 C1CNCCN1 D00807 [0,1,0,1,0,0|1,0,0]=3 47 B6R1.1 C1CNCCN1 D01393 [0,1,0,1,0,0|1,0,0]=3 48 B6R1.1 C1CNCCN1 D08381 [0,1,0,1,0,0|1,0,0]=3 49 B6R1.1 C1CNCCN1 D09653 [0,1,0,1,0,0|1,0,0]=3