pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.8	Baltruschat ChEMBL	1	0	Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)N2CC[C@H](NC(=O)C1CCC1)c1ccccc1,Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CC[C@H](NC(=O)C1CCC1)c1ccccc1	Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)N2CC[C@H](NC(=O)C1CCC1)c1ccccc1	mol17298	Cc1nc2ccccc2n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC1)c1ccccc1