pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.40000009536743	QSARToolbox	2	1	CCN(CC)c1ccc2[nH+]c3c(cc(N)c4cc(C(=O)c5ccc6ccccc6c5)ccc43)[o+]c2c1,CC[NH+](CC)c1ccc2nc3c(cc(N)c4cc(C(=O)c5ccc6ccccc6c5)ccc43)[o+]c2c1	CCN(CC)c1ccc2nc3c(cc(N)c4cc(C(=O)c5ccc6ccccc6c5)ccc43)[o+]c2c1	mol35655	CCN(CC)c1ccc2nc3c(cc(N)c4cc(C(=O)c5ccc6ccccc6c5)ccc43)[o+]c2c1