pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.0	Novartis	1	0	Cc1nc(N[C@H]2[C@@H]3C[C@H]4C[C@@H](C3)C[C@@H]2C4)c(-c2ccc(C(F)(F)F)cc2)c[nH+]1,Cc1ncc(-c2ccc(C(F)(F)F)cc2)c(N[C@H]2[C@@H]3C[C@H]4C[C@@H](C3)C[C@@H]2C4)[nH+]1,Cc1ncc(-c2ccc(C(F)(F)F)cc2)c([NH2+][C@H]2[C@@H]3C[C@H]4C[C@@H](C3)C[C@@H]2C4)n1	Cc1ncc(-c2ccc(C(F)(F)F)cc2)c(N[C@H]2[C@@H]3C[C@H]4C[C@@H](C3)C[C@@H]2C4)n1	mol2935	Cc1ncc(-c2ccc(C(F)(F)F)cc2)c(NC2C3CC4CC(C3)CC2C4)n1