pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.62	AttenGpKa training set	1	0	COc1ccc2cc1Oc1ccc(cc1)Cc1ccc3c4c(c(OC)c(c3c1)Oc1c3c(cc(OC)c1OC)[C@H](C2)[NH+](C)CC3)OCO4	COc1ccc2cc1Oc1ccc(cc1)Cc1ccc3c4c(c(OC)c(c3c1)Oc1c3c(cc(OC)c1OC)[C@H](C2)N(C)CC3)OCO4	mol30206	COc1ccc2cc1Oc1ccc(cc1)Cc1ccc3c4c(c(OC)c(c3c1)Oc1c3c(cc(OC)c1OC)C(C2)N(C)CC3)OCO4