pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.4	Baltruschat ChEMBL	1	0	Nc1ncnc2c1c(Oc1cccc(Cl)c1)nn2CC1CC[NH2+]CC1	Nc1ncnc2c1c(Oc1cccc(Cl)c1)nn2CC1CCNCC1	mol20823	Nc1ncnc2c1c(Oc1cccc(Cl)c1)nn2CC1CCNCC1