pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.7600002288818	QSARToolbox	0	-1	CN(C)c1ccc2c(c1)C(c1ccccc1)=NCC(=O)N2	CN(C)c1ccc2c(c1)C(c1ccccc1)=NCC(=O)[N-]2	mol36413	CN(C)c1ccc2c(c1)C(c1ccccc1)=NCC(=O)N2
4.59999990463257	QSARToolbox	2	1	C[NH+](C)c1ccc2c(c1)C(c1ccccc1)=[NH+]CC(=O)N2	CN(C)c1ccc2c(c1)C(c1ccccc1)=[NH+]CC(=O)N2,C[NH+](C)c1ccc2c(c1)C(c1ccccc1)=NCC(=O)N2	mol36413	CN(C)c1ccc2c(c1)C(c1ccccc1)=NCC(=O)N2