smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH2+]C1CN(c2cc(N)[nH+]c(NCC3CC3)n2)C1	ZINC000073157210	173324310	/nfs/dbraw/zinc/32/43/10/173324310.db2.gz	YXOUWCCLAZWGFC-UHFFFAOYSA-N	2	2	248.334	0.289	1	0		BCAFLP
NC(=[NH2+])c1cccc(-c2ccnc(C(N)=[NH2+])n2)c1	ZINC000000011930	181196524	/nfs/dbraw/zinc/19/65/24/181196524.db2.gz	BGDLTUWGRGDBIB-UHFFFAOYSA-N	2	2	240.270	0.712	1	0		BCAFLP
Nc1nc(N2CC[NH2+]CC2)cc(N2CCCC2)[nH+]1	ZINC000071405059	132392338	/nfs/dbraw/zinc/39/23/38/132392338.db2.gz	QSIPBARBLQUACT-UHFFFAOYSA-N	2	2	248.334	0.069	1	0		BCAFLP
[NH3+]C1([NH3+])C=CC(I)=CC1	ZINC000205436864	398001035	/nfs/dbraw/zinc/00/10/35/398001035.db2.gz	UAQJHNWRLLZTNH-UHFFFAOYSA-N	2	2	236.056	0.879	2	0		BCAFLP
C[NH+]1CCN(c2nccc(-n3cc[nH+]c3)n2)CC1	ZINC000013808365	132322475	/nfs/dbraw/zinc/32/24/75/132322475.db2.gz	SJXASEQOEUUBFT-UHFFFAOYSA-N	2	2	244.302	0.414	1	0		BCAFLP
[NH2+]=C1NCN(c2ccc(F)c(Cl)c2)C(=[NH2+])N1	ZINC000028128610	132333969	/nfs/dbraw/zinc/33/39/69/132333969.db2.gz	HVSPMWWSBHRICG-UHFFFAOYSA-N	2	2	241.657	0.886	1	0		BCAFLP
C[N@@H+]1CCCN(c2[nH+]c(N)nc3[nH]ccc32)CC1	ZINC000095597777	173019699	/nfs/dbraw/zinc/01/96/99/173019699.db2.gz	SUCQRXUPCXTVSO-UHFFFAOYSA-N	2	2	246.318	0.682	1	0		BCAFLP
C[N@H+]1CCCN(c2[nH+]c(N)nc3[nH]ccc32)CC1	ZINC000095597777	173019702	/nfs/dbraw/zinc/01/97/02/173019702.db2.gz	SUCQRXUPCXTVSO-UHFFFAOYSA-N	2	2	246.318	0.682	1	0		BCAFLP