pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.3	Baltruschat ChEMBL	1	0	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCCn1ccn[nH+]1,COc1cc2c(Nc3ccc(Br)cc3F)[nH+]cnc2cc1OCCn1ccnn1,COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCCn1cc[nH+]n1,COc1cc2c([NH2+]c3ccc(Br)cc3F)ncnc2cc1OCCn1ccnn1,COc1cc2c(Nc3ccc(Br)cc3F)nc[nH+]c2cc1OCCn1ccnn1	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCCn1ccnn1	mol16259	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCCn1ccnn1