pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.5	Baltruschat ChEMBL	1	0	Clc1ccc2c(c1)N[C@@H]1C=CC=C3C=C[NH+]=C2[C@@H]31,Clc1ccc2c(c1)[NH2+][C@@H]1C=CC=C3C=CN=C2[C@@H]31	Clc1ccc2c(c1)N[C@@H]1C=CC=C3C=CN=C2[C@@H]31	mol18673	Clc1ccc2c(c1)NC1C=CC=C3C=CN=C2C31