pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.4	Baltruschat ChEMBL	1	0	Nc1ncnc2c1c(Sc1cccc(Cl)c1)nn2CC1CC[NH2+]CC1,[NH3+]c1ncnc2c1c(Sc1cccc(Cl)c1)nn2CC1CCNCC1	Nc1ncnc2c1c(Sc1cccc(Cl)c1)nn2CC1CCNCC1	mol20822	Nc1ncnc2c1c(Sc1cccc(Cl)c1)nn2CC1CCNCC1