pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.38	Baltruschat ChEMBL	1	0	CC[NH+](CC)CCO/N=C1C(=C2/C(=O)Nc3cc(Br)ccc32)/Nc2ccccc2/1,CCN(CC)CCO/N=C1C(=C2/C(=O)Nc3cc(Br)ccc32)/[NH2+]c2ccccc2/1	CCN(CC)CCO/N=C1C(=C2/C(=O)Nc3cc(Br)ccc32)/Nc2ccccc2/1	mol20008	CCN(CC)CCO/N=C1C(=C2/C(=O)Nc3cc(Br)ccc32)/Nc2ccccc2/1