pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.1	Baltruschat ChEMBL	1	0	Nc1ncnc2c1c(Sc1cccc(Cl)c1)nn2C[C@H]1CC[NH2+]CC1(F)F	Nc1ncnc2c1c(Sc1cccc(Cl)c1)nn2C[C@H]1CCNCC1(F)F	mol20820	Nc1ncnc2c1c(Sc1cccc(Cl)c1)nn2CC1CCNCC1(F)F