pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.1999998092651	QSARToolbox	1	0	COc1ccccc1N1CC[NH+](CCNC[C@H](O)CON=C(C2CC2)C2CC2)CC1,COc1ccccc1[NH+]1CCN(CCNC[C@H](O)CON=C(C2CC2)C2CC2)CC1,COc1ccccc1N1CCN(CC[NH2+]C[C@H](O)CON=C(C2CC2)C2CC2)CC1	COc1ccccc1N1CCN(CCNC[C@H](O)CON=C(C2CC2)C2CC2)CC1	mol38083	COc1ccccc1N1CCN(CCNCC(O)CON=C(C2CC2)C2CC2)CC1