pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.71000003814697	QSARToolbox	1	0	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)[nH+]1,CCN(CC)c1nc(OP(=S)(OC)OC)cc(C)[nH+]1,CC[NH+](CC)c1nc(C)cc(OP(=S)(OC)OC)n1	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	mol29817	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1
3.7	AttenGpKa training set	1	0	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)[nH+]1,CCN(CC)c1nc(OP(=S)(OC)OC)cc(C)[nH+]1,CC[NH+](CC)c1nc(C)cc(OP(=S)(OC)OC)n1	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	mol29817	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1