pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.0	Baltruschat ChEMBL	1	0	Cc1cc(C)cc(C(=[OH+])N(NC(=O)c2ccc3c(c2C)CCCO3)C(C)(C)C)c1,Cc1cc(C)cc(C(=O)N(NC(=[OH+])c2ccc3c(c2C)CCCO3)C(C)(C)C)c1	Cc1cc(C)cc(C(=O)N(NC(=O)c2ccc3c(c2C)CCCO3)C(C)(C)C)c1	mol17591	Cc1cc(C)cc(C(=O)N(NC(=O)c2ccc3c(c2C)CCCO3)C(C)(C)C)c1