pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.85	OCHEM	0	-1	CC(=O)Nc1ccc2nc([C@H](C)CCN(C)C)ccc2c1	CC(=O)[N-]c1ccc2nc([C@H](C)CCN(C)C)ccc2c1	mol18351	CC(=O)Nc1ccc2nc(C(C)CCN(C)C)ccc2c1
6.56	OCHEM	2	1	CC(=O)Nc1ccc2[nH+]c([C@H](C)CC[NH+](C)C)ccc2c1	CC(=O)Nc1ccc2[nH+]c([C@H](C)CCN(C)C)ccc2c1,CC(=O)Nc1ccc2nc([C@H](C)CC[NH+](C)C)ccc2c1	mol18351	CC(=O)Nc1ccc2nc(C(C)CCN(C)C)ccc2c1