pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.97	Baltruschat ChEMBL	1	0	Cc1nc2c([NH2+][C@H]3c4ccccc4C[C@@H]3O)cc(C(N)=O)cn2c1C,Cc1[nH+]c2c(N[C@H]3c4ccccc4C[C@@H]3O)cc(C(N)=O)cn2c1C	Cc1nc2c(N[C@H]3c4ccccc4C[C@@H]3O)cc(C(N)=O)cn2c1C	mol19480	Cc1nc2c(N[C@H]3c4ccccc4C[C@@H]3O)cc(C(N)=O)cn2c1C
5.96999979019165	QSARToolbox	1	0	Cc1nc2c([NH2+][C@H]3c4ccccc4C[C@@H]3O)cc(C(N)=O)cn2c1C,Cc1[nH+]c2c(N[C@H]3c4ccccc4C[C@@H]3O)cc(C(N)=O)cn2c1C	Cc1nc2c(N[C@H]3c4ccccc4C[C@@H]3O)cc(C(N)=O)cn2c1C	mol19480	Cc1nc2c(N[C@H]3c4ccccc4C[C@@H]3O)cc(C(N)=O)cn2c1C