0 B5R0.3 O=C(CO)CO D07841 [0,0,0,0,0,0|2,1,1]=4 1 B5R0.3 OCC(O)CO D00028 [0,0,0,0,0,0|2,1,0]=3 2 B5R0.3 OCC(O)CS D05075 [0,0,0,0,0,0|2,0,0]=2 3 B5R0.3 OCC(S)CS D00167 [0,0,0,0,0,0|2,0,0]=2 4 B4R0.1 CC(O)CO D00078 [1,0,0,0,0,0|1,1,0]=3 5 B4R0.1 CCC(=O)O D02310 [1,0,0,0,0,0|1,1,1]=4 6 B4R0.1 CCC(=O)[O-] D05872 [1,0,0,0,0,0|1,1,1]=4 7 B4R0.1 CCC(=O)[O-] D08440 [1,0,0,0,0,0|1,1,1]=4 8 B4R0.1 [*]CC([*])C D05545 [1,0,0,0,0,0|2,0,0]=3 9 B4R0.1 [*]CC([*])O D02320 [1,0,0,0,0,0|2,1,0]=4 10 B4R0.2 CCCCO D03200 [1,0,0,0,0,0|0,1,0]=2 11 B4R0.2 CCOCC D01772 [1,0,0,0,0,0|2,0,0]=3 12 B4R0.2 COCCO D05554 [1,0,0,0,0,0|1,1,0]=3 13 B6R0.3 N[C@@H](CS)C(=O)O D00026 [0,1,0,0,0,0|2,0,1]=4 14 B6R0.3 N[C@@H](CS)C(=O)O D02326 [0,1,0,0,0,0|2,0,1]=4 15 B6R0.8 C#CC(C)(O)CC D07332 [0,1,0,0,0,0|1,0,1]=3 16 B3R0.1 CCCC D03186 [2,0,0,0,0,0|0,0,0]=2 17 B3R0.1 NCCN D01114 [2,0,0,0,0,0|2,0,0]=4 18 B3R0.1 NCCO D05074 [2,0,0,0,0,0|1,1,0]=4 19 B3R0.1 NCCS D03634 [2,0,0,0,0,0|1,0,0]=3 20 B3R0.1 NCCS D03635 [2,0,0,0,0,0|1,0,0]=3 21 B3R0.1 OCCO D03370 [2,0,0,0,0,0|1,1,0]=4 22 B3R0.1 OCCO D06418 [2,0,0,0,0,0|1,1,0]=4 23 B3R0.1 OCCO D06419 [2,0,0,0,0,0|1,1,0]=4 24 B3R0.1 OCCO D06420 [2,0,0,0,0,0|1,1,0]=4 25 B3R0.1 OCCO D06421 [2,0,0,0,0,0|1,1,0]=4 26 B3R0.1 OCCO D06422 [2,0,0,0,0,0|1,1,0]=4 27 B3R0.1 OCCO D06423 [2,0,0,0,0,0|1,1,0]=4 28 B3R0.2 CC(C)=O D02311 [2,0,0,0,0,0|0,1,1]=4 29 B3R0.2 CC(C)C D04623 [2,0,0,0,0,0|0,0,0]=2 30 B3R0.2 CC(C)N D04609 [2,0,0,0,0,0|1,0,0]=3 31 B3R0.2 CC(C)O D00137 [2,0,0,0,0,0|0,1,0]=3 32 B3R0.2 CS(C)=O D01043 [2,0,0,0,0,0|1,1,0]=4 33 B5R0.1 CC(O)CCO D10695 [1,1,0,0,0,0|0,1,0]=3 34 B5R0.1 CC(O)C[197Hg]O D04940 [1,1,0,0,0,0|1,1,0]=4 35 B5R0.1 CCOC(C)=O D02319 [1,1,0,0,0,0|0,1,1]=4 36 B5R0.1 CN(C)CCO D07777 [1,1,0,0,0,0|1,0,0]=3 37 B5R0.1 CN(C)CCS D03376 [1,1,0,0,0,0|1,0,0]=3 38 B5R0.4 CCC(C)(C)O D02931 [1,1,0,0,0,0|0,0,0]=2 39 B7R0.7 CN(CCCl)CCCl D04872 [0,2,0,0,0,0|2,0,0]=4 40 B7R0.7 CN(CCCl)CCCl D07671 [0,2,0,0,0,0|2,0,0]=4 41 B7R0.10 COC(=O)[C@@H](N)CS D01574 [0,2,0,0,0,0|1,0,1]=4 42 B7R0.10 COC(=O)[C@@H](N)CS D08164 [0,2,0,0,0,0|1,0,1]=4 43 B7R0.10 OC[C@H](O)[C@H](O)CO D08915 [0,2,0,0,0,0|1,1,0]=4 44 B7R0.18 NC(CO)(CO)CO D00396 [0,2,0,0,0,0|1,1,0]=4 45 B5R1.3 ClCC1CO1 D01983 [1,0,0,1,0,0|1,1,0]=4 46 B5R1.3 ClCC1CO1 D08512 [1,0,0,1,0,0|1,1,0]=4