pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.8	Baltruschat ChEMBL	1	0	C=C[C@@H]1C[NH+]2CC[C@@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12	C=C[C@@H]1CN2CC[C@@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12	mol17467	C=C[C@@H]1CN2CCC1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12