pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.0	Baltruschat ChEMBL	1	0	COc1cccc(C(=O)NN(C(=[OH+])c2cc(C)cc(C)c2)C(C)(C)C)c1C	COc1cccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)c1C	mol17585	COc1cccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)c1C