pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.9	Novartis	1	0	CCc1ccccc1N(CC)C(=O)C1CCN(c2[nH+]cnc3c2nc2n3CCCCC2)CC1,CCc1ccccc1N(CC)C(=O)C1CCN(c2nc[nH+]c3c2nc2n3CCCCC2)CC1,CCc1ccccc1N(CC)C(=O)C1CCN(c2ncnc3c2[nH+]c2n3CCCCC2)CC1,CCc1ccccc1N(CC)C(=O)C1CC[NH+](c2ncnc3c2nc2n3CCCCC2)CC1	CCc1ccccc1N(CC)C(=O)C1CCN(c2ncnc3c2nc2n3CCCCC2)CC1	mol2822	CCc1ccccc1N(CC)C(=O)C1CCN(c2ncnc3c2nc2n3CCCCC2)CC1