pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.98	Datawarrior	1	0	O=CN1CC[NH2+]CC1	O=CN1CCNCC1	mol12386	O=CN1CCNCC1
7.96999979019165	QSARToolbox	1	0	O=CN1CC[NH2+]CC1	O=CN1CCNCC1	mol12386	O=CN1CCNCC1
7.67999982833862	QSARToolbox	1	0	O=CN1CC[NH2+]CC1	O=CN1CCNCC1	mol12386	O=CN1CCNCC1
7.98000001907349	QSARToolbox	1	0	O=CN1CC[NH2+]CC1	O=CN1CCNCC1	mol12386	O=CN1CCNCC1
7.92999982833862	QSARToolbox	1	0	O=CN1CC[NH2+]CC1	O=CN1CCNCC1	mol12386	O=CN1CCNCC1
7.89	AttenGpKa training set	1	0	O=CN1CC[NH2+]CC1	O=CN1CCNCC1	mol12386	O=CN1CCNCC1