pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.89	IUPAC digitized pKa	1	0	CC1(C)CC([NH2+]c2ccccc2)=CC(=Nc2ccccc2)C1,CC1(C)CC(Nc2ccccc2)=CC(=[NH+]c2ccccc2)C1	CC1(C)CC(Nc2ccccc2)=CC(=Nc2ccccc2)C1	mol3302	CC1(C)CC(Nc2ccccc2)=CC(=Nc2ccccc2)C1
9.8900003	OCHEM	1	0	CC1(C)CC([NH2+]c2ccccc2)=CC(=Nc2ccccc2)C1,CC1(C)CC(Nc2ccccc2)=CC(=[NH+]c2ccccc2)C1	CC1(C)CC(Nc2ccccc2)=CC(=Nc2ccccc2)C1	mol3302	CC1(C)CC(Nc2ccccc2)=CC(=Nc2ccccc2)C1
9.89000034332275	QSARToolbox	1	0	CC1(C)CC([NH2+]c2ccccc2)=CC(=Nc2ccccc2)C1,CC1(C)CC(Nc2ccccc2)=CC(=[NH+]c2ccccc2)C1	CC1(C)CC(Nc2ccccc2)=CC(=Nc2ccccc2)C1	mol3302	CC1(C)CC(Nc2ccccc2)=CC(=Nc2ccccc2)C1