pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.34	OCHEM	2	1	Cc1c2ccccc2nc2c(C(O)=[NH+]CC[NH+](C)C)cccc12,Cc1c2ccccc2[nH+]c2c(C(O)=NCC[NH+](C)C)cccc12	Cc1c2ccccc2nc2c(C(O)=NCC[NH+](C)C)cccc12,Cc1c2ccccc2nc2c(C(O)=[NH+]CCN(C)C)cccc12	mol17214	Cc1c2ccccc2nc2c(C(O)=NCCN(C)C)cccc12
4.34000015258789	QSARToolbox	2	1	Cc1c2ccccc2nc2c(C(O)=[NH+]CC[NH+](C)C)cccc12,Cc1c2ccccc2[nH+]c2c(C(O)=NCC[NH+](C)C)cccc12	Cc1c2ccccc2nc2c(C(O)=NCC[NH+](C)C)cccc12,Cc1c2ccccc2nc2c(C(O)=[NH+]CCN(C)C)cccc12	mol17214	Cc1c2ccccc2nc2c(C(O)=NCCN(C)C)cccc12