pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.5	AttenGpKa training set	0	-1	O=c1[nH]ncc(NCCN2CCOCC2)c1Cl	O=c1[nH]ncc([N-]CCN2CCOCC2)c1Cl,O=c1[n-]ncc(NCCN2CCOCC2)c1Cl	mol29687	O=c1[nH]ncc(NCCN2CCOCC2)c1Cl
6.29	AttenGpKa training set	1	0	O=c1[nH]ncc(NCC[NH+]2CCOCC2)c1Cl	O=c1[nH]ncc(NCCN2CCOCC2)c1Cl	mol29687	O=c1[nH]ncc(NCCN2CCOCC2)c1Cl