0 B6R0.1 CNC(=S)NCO D07426 [0,0,0,0,0,0|3,1,0]=4 1 B5R0.1 CC(O)CCO D10695 [1,0,0,0,0,0|1,0,2]=4 2 B5R0.1 CCCC(=O)[O-] D08998 [1,0,0,0,0,0|0,0,1]=2 3 B5R0.1 CCOC(C)=O D02319 [1,0,0,0,0,0|1,0,0]=2 4 B5R0.1 CN(C)CCO D07777 [1,0,0,0,0,0|3,0,0]=4 5 B5R0.1 CN(C)CCS D03376 [1,0,0,0,0,0|3,0,0]=4 6 B5R0.1 NCCC(=O)O D07561 [1,0,0,0,0,0|1,0,0]=2 7 B5R0.3 O=C(CO)CO D07841 [1,0,0,0,0,0|3,0,0]=4 8 B5R0.3 [*]CC(=O)O[*] D05557 [1,0,0,0,0,0|2,0,0]=3 9 B7R0.10 C=C(C#N)C(=O)OC D03460 [0,1,0,0,0,0|1,0,2]=4 10 B7R0.10 COC(=O)[C@@H](N)CS D01574 [0,1,0,0,0,0|1,0,0]=2 11 B7R0.10 COC(=O)[C@@H](N)CS D08164 [0,1,0,0,0,0|1,0,0]=2 12 B7R1.2 CC1COC(=O)O1 D05633 [0,0,0,1,0,0|1,0,0]=2 13 B4R0.1 C=CC(=O)O D03392 [2,0,0,0,0,0|0,0,2]=4 14 B4R0.1 C=CC(=O)O D03393 [2,0,0,0,0,0|0,0,2]=4 15 B4R0.1 C=CC(=O)O D03394 [2,0,0,0,0,0|0,0,2]=4 16 B4R0.1 C=CC(=O)O D03395 [2,0,0,0,0,0|0,0,2]=4 17 B4R0.1 C=CC(=O)O D03396 [2,0,0,0,0,0|0,0,2]=4 18 B4R0.1 C=CC(=O)O D03397 [2,0,0,0,0,0|0,0,2]=4 19 B4R0.1 CC(=O)NO D00220 [2,0,0,0,0,0|2,0,0]=4 20 B4R0.1 CC(=O)OO D03467 [2,0,0,0,0,0|1,0,0]=3 21 B4R0.1 CCC(=O)O D02310 [2,0,0,0,0,0|0,0,0]=2 22 B4R0.1 CCC(=O)[O-] D05872 [2,0,0,0,0,0|0,0,1]=3 23 B4R0.1 CCC(=O)[O-] D08440 [2,0,0,0,0,0|0,0,1]=3 24 B4R0.1 NCC(=O)O D00011 [2,0,0,0,0,0|1,0,0]=3 25 B4R0.1 NCC(=O)[O-] D08016 [2,0,0,0,0,0|1,0,1]=4 26 B4R0.1 O=C(O)CCl D07677 [2,0,0,0,0,0|1,0,0]=3 27 B4R0.1 O=S(O)C[O-] D05861 [2,0,0,0,0,0|2,0,0]=4 28 B4R0.2 CCCCO D03200 [2,0,0,0,0,0|0,0,1]=3 29 B4R0.2 CCOCC D01772 [2,0,0,0,0,0|1,0,1]=4 30 B4R0.2 COCCO D05554 [2,0,0,0,0,0|1,0,0]=3 31 B6R0.2 CC(=O)CC(C)C D04989 [1,1,0,0,0,0|0,0,0]=2 32 B6R0.2 CC(C)CC(N)=O D04637 [1,1,0,0,0,0|1,0,0]=3 33 B6R0.3 N[C@@H](CO)C(=O)O D00016 [1,1,0,0,0,0|1,0,0]=3 34 B6R0.3 N[C@@H](CS)C(=O)O D00026 [1,1,0,0,0,0|1,0,0]=3 35 B6R0.3 N[C@@H](CS)C(=O)O D02326 [1,1,0,0,0,0|1,0,0]=3 36 B6R0.4 NCCCC(=O)O D00058 [1,1,0,0,0,0|0,0,0]=2 37 B6R0.4 O=C([O-])CCCO D05866 [1,1,0,0,0,0|0,0,1]=3 38 B6R0.5 NCCS(=O)(=O)O D00047 [1,1,0,0,0,0|2,0,0]=4 39 B8R0.3 CCOC(=O)[C@@H](N)CS D01559 [0,2,0,0,0,0|1,0,0]=3 40 B8R0.6 [*]CCOCC(=O)O[*] D05552 [0,2,0,0,0,0|1,0,0]=3 41 B8R1.3 O=C1COC(=O)CO1 D05558 [0,1,0,1,0,0|1,0,1]=4 42 B8R1.22 O=C1CCCCCO1 D05540 [0,1,0,1,0,0|0,0,0]=2