pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.74	Datawarrior	0	-1	COc1cc(C(N)=O)ccc1-c1nc2c(ncn2C)[nH]1	COc1cc(C(N)=O)ccc1-c1nc2c(ncn2C)[n-]1	mol14704	COc1cc(C(N)=O)ccc1-c1nc2c(ncn2C)[nH]1
3.8	Datawarrior	1	0	COc1cc(C(N)=O)ccc1-c1nc2c([nH]1)[nH+]cn2C,COc1cc(C(N)=O)ccc1-c1[nH]c2ncn(C)c2[nH+]1	COc1cc(C(N)=O)ccc1-c1nc2c(ncn2C)[nH]1	mol14704	COc1cc(C(N)=O)ccc1-c1nc2c(ncn2C)[nH]1