pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.34	AttenGpKa training set	0	-1	N=C1NCCNC(=N)N1	N=C1[N-]C(=N)NCCN1,N=C1[N-]CCNC(=N)N1,[N-]=C1NCCNC(=N)N1	mol28013	N=C1NCCNC(=N)N1
11.76	AttenGpKa training set	0	-1	N=C1NCCNC(=N)N1	N=C1[N-]C(=N)NCCN1,N=C1[N-]CCNC(=N)N1,[N-]=C1NCCNC(=N)N1	mol28013	N=C1NCCNC(=N)N1
1.74	AttenGpKa training set	2	1	[NH2+]=C1NCCNC(=[NH2+])N1	N=C1NCCNC(=[NH2+])N1	mol28013	N=C1NCCNC(=N)N1
2.88	AttenGpKa training set	2	1	[NH2+]=C1NCCNC(=[NH2+])N1	N=C1NCCNC(=[NH2+])N1	mol28013	N=C1NCCNC(=N)N1