pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.89	AttenGpKa training set	1	0	CC1(C)CC(Nc2ccccc2)=C/C(=[NH+]/c2ccccc2)C1,CC1(C)CC([NH2+]c2ccccc2)=C/C(=N/c2ccccc2)C1	CC1(C)CC(Nc2ccccc2)=C/C(=N/c2ccccc2)C1	mol31283	CC1(C)CC(Nc2ccccc2)=C/C(=N/c2ccccc2)C1