pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.1199999	OCHEM	1	0	COc1cc2c(cc1OC)[C@]13CC[NH+]4[C@H]1C[C@H]1C(=CCO[C@H]5CC(=O)N2[C@H]3[C@H]51)[C@@H]4S(=O)(=O)O	COc1cc2c(cc1OC)[C@]13CCN4[C@H]1C[C@H]1C(=CCO[C@H]5CC(=O)N2[C@H]3[C@H]51)[C@@H]4S(=O)(=O)O,COc1cc2c(cc1OC)[C@]13CC[NH+]4[C@H]1C[C@H]1C(=CCO[C@H]5CC(=O)N2[C@H]3[C@H]51)[C@@H]4S(=O)(=O)[O-]	mol32694	COc1cc2c(cc1OC)C13CCN4C1CC1C(=CCOC5CC(=O)N2C3C51)C4S(=O)(=O)O