pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.92	Manchester	1	0	NC(=O)Nc1sc(-c2ccccc2)cc1C(=O)N[C@H]1CCC[NH2+]C1	NC(=O)Nc1sc(-c2ccccc2)cc1C(=O)N[C@H]1CCCNC1	mol2623	NC(=O)Nc1sc(-c2ccccc2)cc1C(=O)N[C@H]1CCCNC1