0 B6R0.5 NCCP(=O)(O)O T4703 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.5 NCCS(=O)(=O)O T0022 [0,0,0,0,0,0|1,0,0]=1 2 B6R0.5 O=S(=O)([O-])CCO T5303 [0,0,0,0,0,0|0,1,1]=2 3 B6R0.5 O=S(=O)([O-])CCS T1414 [0,0,0,0,0,0|0,0,1]=1 4 B5R0.1 CCCC(=O)[O-] T1393 [1,0,0,0,0,0|2,0,1]=4 5 B5R0.1 CNCC(=O)O T6975 [1,0,0,0,0,0|3,0,0]=4 6 B5R0.1 C[C@@H](O)CCO T19538 [1,0,0,0,0,0|2,1,0]=4 7 B5R0.1 NCCC(=O)O T0627 [1,0,0,0,0,0|2,0,0]=3 8 B5R0.1 NCCS(=O)O T5225 [1,0,0,0,0,0|1,0,1]=3 9 B5R0.1 NOCC(=O)O T5880 [1,0,0,0,0,0|3,0,0]=4 10 B7R0.8 CS(=O)(=O)CCC#N T15052 [0,1,0,0,0,0|2,0,0]=3 11 B7R0.8 C[P@@](=O)(O)CCCN T23368 [0,1,0,0,0,0|3,0,0]=4 12 B7R0.8 NCCCS(=O)(=O)O T0883 [0,1,0,0,0,0|1,0,0]=2 13 B7R0.8 NCCOP(=O)(O)O T4881 [0,1,0,0,0,0|2,0,1]=4 14 B7R1.14 O=S1(=O)CCCN1 T8615 [0,0,0,1,0,0|2,0,0]=3 15 B4R0.1 NCC(=O)O T2O2728 [2,0,0,0,0,0|2,0,0]=4 16 B4R0.1 O=C(O)CO T5985 [2,0,0,0,0,0|1,1,0]=4 17 B4R0.1 O=C([O-])CS T8530 [2,0,0,0,0,0|1,0,1]=4 18 B6R0.1 COC(=O)CCN T8097 [1,1,0,0,0,0|2,0,0]=4 19 B6R0.2 CC(C)CC(=O)O T5609 [1,1,0,0,0,0|2,0,0]=4 20 B6R0.2 CC(O)CC(=O)O T4947 [1,1,0,0,0,0|1,1,0]=4 21 B6R0.2 C[C@@H](O)CC(=O)O T5248 [1,1,0,0,0,0|1,1,0]=4 22 B6R0.2 C[C@H](O)CC(=O)O T13979 [1,1,0,0,0,0|1,1,0]=4 23 B6R0.3 CC(CN)C(=O)O T4887 [1,1,0,0,0,0|2,0,0]=4 24 B6R0.3 CC(CO)C(=O)O T19619 [1,1,0,0,0,0|1,1,0]=4 25 B6R0.3 CC[C@@H](N)C(=O)O T19302 [1,1,0,0,0,0|2,0,0]=4 26 B6R0.3 CC[C@H](N)C(=O)O T5306 [1,1,0,0,0,0|2,0,0]=4 27 B6R0.3 C[C@@H](CN)C(=O)O T7357 [1,1,0,0,0,0|2,0,0]=4 28 B6R0.3 NC(CO)C(=O)O T8363 [1,1,0,0,0,0|1,1,0]=4 29 B6R0.3 NC(CS)C(=O)O T8141 [1,1,0,0,0,0|1,0,0]=3 30 B6R0.3 NCC(N)C(=O)O T4755 [1,1,0,0,0,0|2,0,0]=4 31 B6R0.3 NC[C@H](N)C(=O)O T5978 [1,1,0,0,0,0|2,0,0]=4 32 B6R0.3 NC[C@H](N)C(=O)O T7335 [1,1,0,0,0,0|2,0,0]=4 33 B6R0.3 N[C@@H](CCl)C(=O)O T6987 [1,1,0,0,0,0|2,0,0]=4 34 B6R0.3 N[C@@H](CO)C(=O)O T2O2730 [1,1,0,0,0,0|1,1,0]=4 35 B6R0.3 N[C@@H](CS)C(=O)O T2O2721 [1,1,0,0,0,0|1,0,0]=3 36 B6R0.3 N[C@H](CO)C(=O)O T8394 [1,1,0,0,0,0|1,1,0]=4 37 B6R0.4 C#CCCC(=O)O T0580 [1,1,0,0,0,0|2,0,0]=4 38 B6R0.4 CSCCC(=O)O T5285 [1,1,0,0,0,0|1,0,0]=3 39 B6R0.4 NCCCC(=O)O T0508 [1,1,0,0,0,0|2,0,0]=4 40 B6R0.7 CN(C)S(=O)(=O)Cl T0661 [1,1,0,0,0,0|2,0,0]=4