pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.4	Baltruschat ChEMBL	1	0	O=C(Nc1cc(-c2cc3c([nH]2)[C@@]2(CC[NH2+]C2)CNC3=O)ccn1)c1cccc(OC(F)(F)F)c1,O=C(Nc1cc(-c2cc3c([nH]2)[C@@]2(CCNC2)CNC3=O)cc[nH+]1)c1cccc(OC(F)(F)F)c1	O=C(Nc1cc(-c2cc3c([nH]2)[C@@]2(CCNC2)CNC3=O)ccn1)c1cccc(OC(F)(F)F)c1	mol19708	O=C(Nc1cc(-c2cc3c([nH]2)C2(CCNC2)CNC3=O)ccn1)c1cccc(OC(F)(F)F)c1