pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.92000007629395	QSARToolbox	1	0	CC1(C)OC[C@H](Cc2ccccc2)N1C(=[OH+])c1cccnc1,CC1(C)OC[C@H](Cc2ccccc2)N1C(=O)c1ccc[nH+]c1	CC1(C)OC[C@H](Cc2ccccc2)N1C(=O)c1cccnc1	mol34921	CC1(C)OC[C@H](Cc2ccccc2)N1C(=O)c1cccnc1