smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=O)CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000070249272	345553090	/nfs/dbraw/zinc/55/30/90/345553090.db2.gz	ZNSWQFWRVCRJPU-UHFFFAOYSA-N	-1	1	240.175	-1.502	20	5		BABDMM
NC(=O)CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000362348521	181236053	/nfs/dbraw/zinc/23/60/53/181236053.db2.gz	JZFXRZVXOULAJY-UHFFFAOYSA-N	-1	1	240.175	-1.090	20	5		BABDMM
O=C([O-])[C@@H]1COCCN1C(=O)[C@H]1CC1[N+](=O)[O-]	ZINC000378180194	388727672	/nfs/dbraw/zinc/72/76/72/388727672.db2.gz	RTFOAMSFYQUBEX-ACZMJKKPSA-N	-1	1	244.203	-1.036	20	5		BABDMM
O=C([O-])[C@@H]1COCCN1C(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000378180195	388726577	/nfs/dbraw/zinc/72/65/77/388726577.db2.gz	RTFOAMSFYQUBEX-QYNIQEEDSA-N	-1	1	244.203	-1.036	20	5		BABDMM
O=C([O-])[C@@H]1COCCN1C(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000378180196	388727287	/nfs/dbraw/zinc/72/72/87/388727287.db2.gz	RTFOAMSFYQUBEX-VQVTYTSYSA-N	-1	1	244.203	-1.036	20	5		BABDMM
O=C([O-])[C@@H]1COCCN1C(=O)[C@H]1CC1[N+](=O)[O-]	ZINC000378180197	388727251	/nfs/dbraw/zinc/72/72/51/388727251.db2.gz	RTFOAMSFYQUBEX-XVMARJQXSA-N	-1	1	244.203	-1.036	20	5		BABDMM
O=C(NCc1nn[n-]n1)c1cc([N+](=O)[O-])n[nH]1	ZINC000586779318	346100170	/nfs/dbraw/zinc/10/01/70/346100170.db2.gz	GRZMCKYDOFQANZ-UHFFFAOYSA-N	-1	1	238.167	-1.239	20	5		BABDMM
O=C([N-]N1CN=NC1=O)c1[nH]ncc1[N+](=O)[O-]	ZINC000782125146	585808074	/nfs/dbraw/zinc/80/80/74/585808074.db2.gz	HVWIENDVYUTUJM-UHFFFAOYSA-N	-1	1	239.151	-1.001	20	5		BABDMM
O=C([N-]N1CN=NC1=O)c1cc([N+](=O)[O-])n[nH]1	ZINC000807186775	586425018	/nfs/dbraw/zinc/42/50/18/586425018.db2.gz	VUMUQEFWWOJQNH-UHFFFAOYSA-N	-1	1	239.151	-1.001	20	5		BABDMM
CCO[N-]C(=O)CNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000846492225	588268013	/nfs/dbraw/zinc/26/80/13/588268013.db2.gz	YWXIQLVZKILWPH-PHDIDXHHSA-N	-1	1	231.208	-1.165	20	5		BABDMM
O=C(Nn1c(=O)[n-][nH]c1=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000854613028	588797465	/nfs/dbraw/zinc/79/74/65/588797465.db2.gz	SOVCHNCESFUKNV-PWNYCUMCSA-N	-1	1	229.152	-1.575	20	5		BABDMM