pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.2	Baltruschat ChEMBL	1	0	Cc1cc(C(=O)N2CCC[C@H]2c2cnc(-c3cccc(Cl)c3)cc2C)[nH+]o1,Cc1cc(C(=O)N2CCC[C@H]2c2c[nH+]c(-c3cccc(Cl)c3)cc2C)no1	Cc1cc(C(=O)N2CCC[C@H]2c2cnc(-c3cccc(Cl)c3)cc2C)no1	mol18330	Cc1cc(C(=O)N2CCCC2c2cnc(-c3cccc(Cl)c3)cc2C)no1