pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.8	Baltruschat ChEMBL	1	0	C(=N/NC1=NCCN1)\c1c2ccccc2c(/C=[NH+]/NC2=NCCN2)c2ccccc12,C(=N/NC1=NCCN1)\c1c2ccccc2c(/C=N/NC2=[NH+]CCN2)c2ccccc12	C(=N/NC1=NCCN1)\c1c2ccccc2c(/C=N/NC2=NCCN2)c2ccccc12	mol20229	C(=N/NC1=NCCN1)\c1c2ccccc2c(/C=N/NC2=NCCN2)c2ccccc12