pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.2	Baltruschat ChEMBL	1	0	O=c1[nH]c(=O)n(C[C@@H]2[C@H]3CC[C@H](CC3)[C@H]2Nc2[nH+]c(-c3c[nH]c4ncc(F)cc34)ncc2F)o1,O=c1[nH]c(=O)n(C[C@@H]2[C@H]3CC[C@H](CC3)[C@H]2Nc2nc(-c3c[nH]c4[nH+]cc(F)cc34)ncc2F)o1,O=c1[nH]c(=O)n(C[C@@H]2[C@H]3CC[C@H](CC3)[C@H]2[NH2+]c2nc(-c3c[nH]c4ncc(F)cc34)ncc2F)o1,O=c1[nH]c(=O)n(C[C@@H]2[C@H]3CC[C@H](CC3)[C@H]2Nc2nc(-c3c[nH]c4ncc(F)cc34)[nH+]cc2F)o1	O=c1[nH]c(=O)n(C[C@@H]2[C@H]3CC[C@H](CC3)[C@H]2Nc2nc(-c3c[nH]c4ncc(F)cc34)ncc2F)o1	mol16111	O=c1[nH]c(=O)n(C[C@@H]2C3CCC(CC3)[C@H]2Nc2nc(-c3c[nH]c4ncc(F)cc34)ncc2F)o1