pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.0	AttenGpKa training set	1	0	CC[NH2+]c1nc(N[C@H](C)CC)nc(OC)n1,CCNc1nc(OC)nc(N[C@H](C)CC)[nH+]1,CCNc1nc(N[C@H](C)CC)nc(OC)[nH+]1,CCNc1nc(N[C@H](C)CC)[nH+]c(OC)n1,CCNc1nc([NH2+][C@H](C)CC)nc(OC)n1	CCNc1nc(N[C@H](C)CC)nc(OC)n1	mol25821	CCNc1nc(NC(C)CC)nc(OC)n1