pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.18	Novartis	1	0	Cc1ncccc1Oc1nc[nH+]c(OC2CCN(C(=O)OC(C)C)CC2)c1C,Cc1ncccc1Oc1[nH+]cnc(OC2CCN(C(=O)OC(C)C)CC2)c1C,Cc1[nH+]cccc1Oc1ncnc(OC2CCN(C(=O)OC(C)C)CC2)c1C	Cc1ncccc1Oc1ncnc(OC2CCN(C(=O)OC(C)C)CC2)c1C	mol2937	Cc1ncccc1Oc1ncnc(OC2CCN(C(=O)OC(C)C)CC2)c1C