pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.6	SAMPL6	1	0	COc1ccc(-c2oc3ncnc([NH2+]CCO)c3c2-c2ccc(OC)cc2)cc1,COc1ccc(-c2oc3nc[nH+]c(NCCO)c3c2-c2ccc(OC)cc2)cc1,COc1ccc(-c2oc3[nH+]cnc(NCCO)c3c2-c2ccc(OC)cc2)cc1	COc1ccc(-c2oc3ncnc(NCCO)c3c2-c2ccc(OC)cc2)cc1	SM24	COc1ccc(-c2oc3ncnc(NCCO)c3c2-c2ccc(OC)cc2)cc1