smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])CNC(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000037433461	597025477	/nfs/dbraw/zinc/02/54/77/597025477.db2.gz	JDTBBLVWMCPTRR-UHFFFAOYSA-N	-1	0	228.164	-1.008	20	5		BABDRM
O=C([O-])CNC(=O)Cn1ccc([N+](=O)[O-])n1	ZINC000050162209	597022371	/nfs/dbraw/zinc/02/23/71/597022371.db2.gz	HTCRVGUGRRKTIW-UHFFFAOYSA-N	-1	0	228.164	-1.008	20	5		BABDRM
O=C([O-])C(=O)NCCn1cc([N+](=O)[O-])cn1	ZINC000274154699	182418957	/nfs/dbraw/zinc/41/89/57/182418957.db2.gz	JGUDZTVUENSKMR-UHFFFAOYSA-N	-1	0	228.164	-1.008	20	5		BABDRM
O=C([O-])CNC(=O)Cn1cnc([N+](=O)[O-])c1	ZINC000309805628	597751373	/nfs/dbraw/zinc/75/13/73/597751373.db2.gz	XNBZACZLWDGOGM-UHFFFAOYSA-N	-1	0	228.164	-1.008	20	5		BABDRM
O=C([O-])[C@@H]1COCCN1C(=O)[C@H]1C[C@@H]1[N+](=O)[O-]	ZINC000378180194	388727669	/nfs/dbraw/zinc/72/76/69/388727669.db2.gz	RTFOAMSFYQUBEX-ACZMJKKPSA-N	-1	0	244.203	-1.036	20	5		BABDRM
O=C([O-])[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000378180195	388726570	/nfs/dbraw/zinc/72/65/70/388726570.db2.gz	RTFOAMSFYQUBEX-QYNIQEEDSA-N	-1	0	244.203	-1.036	20	5		BABDRM
O=C([O-])[C@@H]1COCCN1C(=O)[C@@H]1C[C@@H]1[N+](=O)[O-]	ZINC000378180196	388727284	/nfs/dbraw/zinc/72/72/84/388727284.db2.gz	RTFOAMSFYQUBEX-VQVTYTSYSA-N	-1	0	244.203	-1.036	20	5		BABDRM
O=C([O-])[C@@H]1COCCN1C(=O)[C@H]1C[C@H]1[N+](=O)[O-]	ZINC000378180197	388727249	/nfs/dbraw/zinc/72/72/49/388727249.db2.gz	RTFOAMSFYQUBEX-XVMARJQXSA-N	-1	0	244.203	-1.036	20	5		BABDRM
Cn1[n-]nnc1=NCCn1cc([N+](=O)[O-])cn1	ZINC000531763875	323112783	/nfs/dbraw/zinc/11/27/83/323112783.db2.gz	UOLCWHZKZJLUOB-UHFFFAOYSA-N	-1	0	238.211	-1.151	20	5		BABDRM
O=C([O-])CNC(=O)Cn1nccc1[N+](=O)[O-]	ZINC000564798951	384572769	/nfs/dbraw/zinc/57/27/69/384572769.db2.gz	BSDOVAQVBHUFQR-UHFFFAOYSA-N	-1	0	228.164	-1.008	20	5		BABDRM
O=C(NCc1nnn[n-]1)c1cc([N+](=O)[O-])n[nH]1	ZINC000586779318	346100166	/nfs/dbraw/zinc/10/01/66/346100166.db2.gz	GRZMCKYDOFQANZ-UHFFFAOYSA-N	-1	0	238.167	-1.239	20	5		BABDRM
CN(CC(=O)[O-])C(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000737982890	582843412	/nfs/dbraw/zinc/84/34/12/582843412.db2.gz	PREOIAHCMXUGDQ-UHFFFAOYSA-N	-1	0	243.179	-1.271	20	5		BABDRM
C[C@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)C(=O)[O-]	ZINC000738966283	597311236	/nfs/dbraw/zinc/31/12/36/597311236.db2.gz	ZDKLRKYPUSKNFR-BYPYZUCNSA-N	-1	0	243.179	-1.224	20	5		BABDRM
C[C@@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)C(=O)[O-]	ZINC000738966284	597183045	/nfs/dbraw/zinc/18/30/45/597183045.db2.gz	ZDKLRKYPUSKNFR-SCSAIBSYSA-N	-1	0	243.179	-1.224	20	5		BABDRM
O=C([O-])CCNC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000740481887	597114145	/nfs/dbraw/zinc/11/41/45/597114145.db2.gz	VKTHXGGAYKLRLQ-UHFFFAOYSA-N	-1	0	243.179	-1.223	20	5		BABDRM
O=C(Cn1ccc([N+](=O)[O-])n1)[N-]OCCO	ZINC000776581089	585701392	/nfs/dbraw/zinc/70/13/92/585701392.db2.gz	CQVSXNRKAGVCEK-UHFFFAOYSA-N	-1	0	230.180	-1.169	20	5		BABDRM
O=C([N-]N1CN=NC1=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000782125146	585808073	/nfs/dbraw/zinc/80/80/73/585808073.db2.gz	HVWIENDVYUTUJM-UHFFFAOYSA-N	-1	0	239.151	-1.001	20	5		BABDRM
O=C(Cn1cc([N+](=O)[O-])cn1)[N-]OCCO	ZINC000787295356	585903982	/nfs/dbraw/zinc/90/39/82/585903982.db2.gz	FVIKXUWJEXYPQI-UHFFFAOYSA-N	-1	0	230.180	-1.169	20	5		BABDRM
O=C([N-]N1CN=NC1=O)c1c[nH]nc1[N+](=O)[O-]	ZINC000801640566	586267170	/nfs/dbraw/zinc/26/71/70/586267170.db2.gz	MQHSEDHWUGTMMX-UHFFFAOYSA-N	-1	0	239.151	-1.001	20	5		BABDRM
CCO[N-]C(=O)CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000846492225	588268012	/nfs/dbraw/zinc/26/80/12/588268012.db2.gz	YWXIQLVZKILWPH-PHDIDXHHSA-N	-1	0	231.208	-1.165	20	5		BABDRM
O=C(Nn1c(=O)[n-][nH]c1=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000854613028	588797464	/nfs/dbraw/zinc/79/74/64/588797464.db2.gz	SOVCHNCESFUKNV-PWNYCUMCSA-N	-1	0	229.152	-1.575	20	5		BABDRM