pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.21	Manchester	1	0	CNC1=Nc2[nH+]cccc2C(c2ccccc2)=N[C@H]1c1cccs1,CNC1=[NH+]c2ncccc2C(c2ccccc2)=N[C@H]1c1cccs1,CNC1=Nc2ncccc2C(c2ccccc2)=[NH+][C@H]1c1cccs1	CNC1=Nc2ncccc2C(c2ccccc2)=N[C@H]1c1cccs1	mol2620	CNC1=Nc2ncccc2C(c2ccccc2)=NC1c1cccs1