pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.74	Baltruschat ChEMBL	1	0	O=C(NCCCC[NH+]1CCN(c2ccccc2OCCF)CC1)c1ccc(-n2ccnc2)cc1,O=C(NCCCCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-n2cc[nH+]c2)cc1	O=C(NCCCCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-n2ccnc2)cc1	mol17536	O=C(NCCCCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-n2ccnc2)cc1