0 B5R0.5 CN(C)C(=S)[S-] KS-5358 [0,0,0,0,0,0|2,2,0]=4 1 B5R0.5 O=C(O)C(=O)O STR01359 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.5 O=C([O-])C(Cl)Cl AS-58721 [0,0,0,0,0,0|2,0,1]=3 3 B4R0.1 CC(=O)NO STR08084 [1,0,0,0,0,0|2,0,1]=4 4 B4R0.1 CSC(=N)N STR00989 [1,0,0,0,0,0|3,0,0]=4 5 B4R0.1 N=C(N)NN AS-11811 [1,0,0,0,0,0|3,0,0]=4 6 B4R0.1 NCC(=O)O STR01063 [1,0,0,0,0,0|0,0,0]=1 7 B4R0.1 NCC(=O)[O-] AS-19944 [1,0,0,0,0,0|0,0,1]=2 8 B6R0.3 CC(=O)\C(C)=N\O AS-58741 [0,1,0,0,0,0|1,0,2]=4 9 B6R0.3 CC(CN)C(=O)O BS-12724 [0,1,0,0,0,0|0,0,0]=1 10 B6R0.3 CC[C@@H](N)C(=O)O DS-13951 [0,1,0,0,0,0|0,0,0]=1 11 B6R0.3 NC[C@H](N)C(=O)O DS-10772 [0,1,0,0,0,0|0,0,0]=1 12 B6R0.3 NC[C@H](N)C(=O)O FS-3898 [0,1,0,0,0,0|0,0,0]=1 13 B6R0.3 N[C@@H](CCl)C(=O)O AS-12232 [0,1,0,0,0,0|0,0,0]=1 14 B6R0.3 N[C@@H](CO)C(=O)O STR02557 [0,1,0,0,0,0|0,0,0]=1 15 B6R0.3 N[C@@H](CS)C(=O)O AS-11682 [0,1,0,0,0,0|0,0,0]=1 16 B6R0.3 O=C([O-])C(=O)CS EK-0017 [0,1,0,0,0,0|1,0,2]=4 17 B6R0.7 CC(C)(N)C(=O)O AS-15790 [0,1,0,0,0,0|0,0,0]=1 18 B6R0.7 CC(C)(O)C(=O)O STR04462 [0,1,0,0,0,0|1,0,0]=2 19 B6R0.2 CC(C)=CC(=O)O STR03265 [0,0,0,0,0,1|1,0,1]=3 20 B6R0.2 CC(C)CC(=O)O STR08356 [0,0,0,0,0,1|1,0,0]=2 21 B6R0.2 CC(C)CC(N)=O AS-14001 [0,0,0,0,0,1|2,0,0]=3 22 B6R0.2 CC(O)CC(=O)O VS-08544 [0,0,0,0,0,1|1,0,0]=2 23 B6R0.2 CN(C)CC(=O)O STR05828 [0,0,0,0,0,1|2,0,0]=3 24 B3R0.1 NCCS AS-12111 [2,0,0,0,0,0|0,1,1]=4 25 B3R0.2 N=C(N)N STR00188 [2,0,0,0,0,0|2,0,0]=4 26 B3R0.2 NC(N)=O STR00449 [2,0,0,0,0,0|1,0,0]=3 27 B5R0.1 CCCC(=O)[O-] AS-13929 [1,1,0,0,0,0|0,0,1]=3 28 B5R0.1 CNCC(=O)O STR01554 [1,1,0,0,0,0|0,0,0]=2 29 B5R0.1 NCCC(=O)O STR03358 [1,1,0,0,0,0|0,0,0]=2 30 B5R0.1 NOCC(=O)O AS-67289 [1,1,0,0,0,0|0,0,0]=2 31 B5R0.4 NCP(=O)(O)O DG-0043 [1,1,0,0,0,0|1,0,0]=3 32 B7R0.16 CC(C)[C@H](N)C(=O)O AS-12787 [0,1,0,0,0,1|1,0,0]=3 33 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O AS-12789 [0,1,0,0,0,1|1,0,0]=3 34 B7R0.5 CCCC(N)C(=O)O AS-56356 [0,2,0,0,0,0|0,0,0]=2 35 B7R0.5 CSC[C@H](N)C(=O)O GS-3468 [0,2,0,0,0,0|0,0,0]=2 36 B7R0.5 N[C@@H](CCO)C(=O)O STR06869 [0,2,0,0,0,0|0,0,0]=2 37 B7R0.10 COC(=O)[C@@H](N)CS AS-12760 [0,2,0,0,0,0|0,0,0]=2 38 B7R1.4 N[C@@H]1CONC1=O HS-0079 [0,1,0,1,0,0|0,0,0]=2 39 B7R1.4 N[C@H]1CONC1=O DS-18395 [0,1,0,1,0,0|0,0,0]=2 40 B7R0.6 CC(=O)CCC(=O)O VS-08535 [0,0,0,0,0,2|1,0,1]=4 41 B7R0.6 CC(=O)NCC(=O)O AS-12785 [0,0,0,0,0,2|1,0,1]=4