pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.99	Manchester	1	0	C#CCNC1=Nc2ncccc2C(c2cccs2)=[NH+][C@H]1c1cccs1,C#CCNC1=Nc2[nH+]cccc2C(c2cccs2)=N[C@H]1c1cccs1,C#CCNC1=[NH+]c2ncccc2C(c2cccs2)=N[C@H]1c1cccs1	C#CCNC1=Nc2ncccc2C(c2cccs2)=N[C@H]1c1cccs1	mol2628	C#CCNC1=Nc2ncccc2C(c2cccs2)=NC1c1cccs1