pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.04999995231628	QSARToolbox	2	1	CCCN(CCC)C(=[OH+])CNc1c(C(O)=[OH+])cnc2ccc(OC)cc12,CCCN(CCC)C(=[OH+])CNc1c(C(=O)O)c[nH+]c2ccc(OC)cc12	CCCN(CCC)C(=O)CNc1c(C(O)=[OH+])cnc2ccc(OC)cc12,CCCN(CCC)C(=O)CNc1c(C(=O)O)c[nH+]c2ccc(OC)cc12,CCCN(CCC)C(=[OH+])CNc1c(C(=O)O)cnc2ccc(OC)cc12,CCCN(CCC)C(=O)C[NH2+]c1c(C(=O)O)cnc2ccc(OC)cc12	mol35437	CCCN(CCC)C(=O)CNc1c(C(=O)O)cnc2ccc(OC)cc12