pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.845	Novartis	1	0	O=NC(=O)CCc1ccc(C[NH2+]C[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)cc1	O=NC(=O)CCc1ccc(CNC[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)cc1	mol3017	O=NC(=O)CCc1ccc(CNCC23CC4CC(CC(C4)C2)C3)cc1