pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.1000003814697	QSARToolbox	0	-1	O=C(NCCCCCO)C(=S)NCCCCCO	O=C(NCCCCCO)C(=S)[N-]CCCCCO,O=C([N-]CCCCCO)C(=S)NCCCCCO	mol34343	O=C(NCCCCCO)C(=S)NCCCCCO
12.1099996566772	QSARToolbox	0	-1	O=C(NCCCCCO)C(=S)NCCCCCO	O=C(NCCCCCO)C(=S)[N-]CCCCCO,O=C([N-]CCCCCO)C(=S)NCCCCCO	mol34343	O=C(NCCCCCO)C(=S)NCCCCCO