pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.84	Datawarrior	1	0	COc1cc(OC)c(OC)c(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)c1	COc1cc(OC)c(OC)c(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1	mol14380	COc1cc(OC)c(OC)c(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1