smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1oc2c(cc([O-])cc2-c2ccc([N+](=O)[O-])cc2)s1	ZINC000000533863	285228078	/nfs/dbraw/zinc/22/80/78/285228078.db2.gz	NGGKZEUPYOGAHM-UHFFFAOYSA-N	-1	1	289.268	3.135	50	5		CGBAMM
O=[N+]([O-])c1cccc(-c2nnc(-c3ccccc3[O-])o2)c1	ZINC000002847777	344858057	/nfs/dbraw/zinc/85/80/57/344858057.db2.gz	XFRLJSFCMDGDLA-UHFFFAOYSA-N	-1	1	283.243	3.017	50	5		CGBAMM
CC(C)(NCc1cc([O-])ccc1[N+](=O)[O-])c1ccccc1	ZINC000079046031	369960160	/nfs/dbraw/zinc/96/01/60/369960160.db2.gz	OFFXXEQRRGIRHZ-UHFFFAOYSA-N	-1	1	286.331	3.325	50	5		CGBAMM
O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1[O-]	ZINC000004578238	368552161	/nfs/dbraw/zinc/55/21/61/368552161.db2.gz	CTISUNSASAUMMA-UHFFFAOYSA-N	-1	1	292.678	3.206	50	5		CGBAMM
O=c1c2cc(Cl)ccc2oc2cc([O-])cc(O)c12	ZINC000026476454	285209445	/nfs/dbraw/zinc/20/94/45/285209445.db2.gz	OHWOAGAHMPEFSA-UHFFFAOYSA-N	-1	1	262.648	3.011	50	5	biogenic	CGBAMM
Cc1ccc2nc(-c3cc([N+](=O)[O-])ccc3[O-])[nH]c2c1	ZINC000390834906	392927713	/nfs/dbraw/zinc/92/77/13/392927713.db2.gz	POIWCQDTOWFBOC-UHFFFAOYSA-N	-1	1	269.260	3.152	50	5		CGBAMM
O=C1[N-]C(=S)SC1=CC=Cc1ccc([N+](=O)[O-])cc1	ZINC000001227821	285108324	/nfs/dbraw/zinc/10/83/24/285108324.db2.gz	GRHQEUZTGAMGES-XZMAOYBGSA-N	-1	1	292.341	3.480	50	5		CGBAMM
CC(=C1SC(=S)[N-]C1=O)c1cccc([N+](=O)[O-])c1	ZINC000001033047	391911822	/nfs/dbraw/zinc/91/18/22/391911822.db2.gz	FUSPSAGNTDCZEB-TWGQIWQCSA-N	-1	1	280.330	3.314	50	5		CGBAMM
O=[N+]([O-])c1cc2[nH]c(-c3ccccc3)cc2c([O-])c1	ZINC000000615372	368392802	/nfs/dbraw/zinc/39/28/02/368392802.db2.gz	IBDKPRFWZCJNMI-UHFFFAOYSA-N	-1	1	254.245	3.449	50	5		CGBAMM
O=c1c2ccc(Cl)cc2oc2cc([O-])cc(O)c12	ZINC000026476485	285210117	/nfs/dbraw/zinc/21/01/17/285210117.db2.gz	HDBLWAZZCGXSBL-UHFFFAOYSA-N	-1	1	262.648	3.011	50	5	biogenic	CGBAMM
O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1[O-]	ZINC000000162722	368306311	/nfs/dbraw/zinc/30/63/11/368306311.db2.gz	WIOATIZNIWMZNX-UHFFFAOYSA-N	-1	1	292.678	3.206	50	5		CGBAMM
Cc1ccc([N-]c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1	ZINC000015828382	368703206	/nfs/dbraw/zinc/70/32/06/368703206.db2.gz	JXFCVJMCEOXJOI-UHFFFAOYSA-N	-1	1	288.263	3.258	50	5		CGBAMM
O=C1[N-]C(=S)SC1=CC=Cc1ccccc1[N+](=O)[O-]	ZINC000002536900	285159345	/nfs/dbraw/zinc/15/93/45/285159345.db2.gz	YJHOWNVOZSVMOV-RVAGFXNCSA-N	-1	1	292.341	3.480	50	5		CGBAMM
CCc1ccc(C=C2SC(=S)[N-]C2=O)cc1[N+](=O)[O-]	ZINC000096662794	185108999	/nfs/dbraw/zinc/10/89/99/185108999.db2.gz	APQRZCDFNZPSNJ-UXBLZVDNSA-N	-1	1	294.357	3.486	50	5		CGBAMM
Cc1ccc(C=C2SC(=S)[N-]C2=O)cc1[N+](=O)[O-]	ZINC000001194183	368404601	/nfs/dbraw/zinc/40/46/01/368404601.db2.gz	UFBUMHCTBSUKDL-WEVVVXLNSA-N	-1	1	280.330	3.232	50	5		CGBAMM
O=C1[N-]C(=S)SC1=CC=Cc1cccc([N+](=O)[O-])c1	ZINC000001194057	368405300	/nfs/dbraw/zinc/40/53/00/368405300.db2.gz	YARIHJDGSKPHDV-QKZJIALXSA-N	-1	1	292.341	3.480	50	5		CGBAMM
O=[N+]([O-])c1ccc(/C=C/c2ccc([O-])c(F)c2)nc1	ZINC000095974991	185050025	/nfs/dbraw/zinc/05/00/25/185050025.db2.gz	FSKRRROYRVQPLZ-HNQUOIGGSA-N	-1	1	260.224	3.005	50	5		CGBAMM
O=C(Nc1cc(Cl)ccc1[O-])c1ccc([N+](=O)[O-])cc1	ZINC000000138896	368299981	/nfs/dbraw/zinc/29/99/81/368299981.db2.gz	WABKXUJDYXWQAT-UHFFFAOYSA-N	-1	1	292.678	3.206	50	5		CGBAMM
Cc1cc(C)cc([N-]c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])c1	ZINC000004982821	170048651	/nfs/dbraw/zinc/04/86/51/170048651.db2.gz	VFBFWGLJUSYCOF-UHFFFAOYSA-N	-1	1	288.263	3.258	50	5		CGBAMM
O=C([N-]c1cc(F)ccc1[N+](=O)[O-])c1c(F)cccc1F	ZINC000004812517	170021495	/nfs/dbraw/zinc/02/14/95/170021495.db2.gz	VJXRQOZFDROFGJ-UHFFFAOYSA-N	-1	1	296.204	3.264	50	5		CGBAMM
COC(=O)c1cc2oc(-c3ccccc3[N+](=O)[O-])cc2[n-]1	ZINC000006792885	170244490	/nfs/dbraw/zinc/24/44/90/170244490.db2.gz	GXAOATYQKJFILK-UHFFFAOYSA-N	-1	1	286.243	3.123	50	5		CGBAMM
CCOc1ccc(Oc2cc([O-])cc([N+](=O)[O-])c2)cc1	ZINC000000615373	368392223	/nfs/dbraw/zinc/39/22/23/368392223.db2.gz	JCPNGIFYWGJBFA-UHFFFAOYSA-N	-1	1	275.260	3.491	50	5		CGBAMM
O=c1oc2c(cc([O-])cc2-c2ccccc2[N+](=O)[O-])s1	ZINC000000538779	368385075	/nfs/dbraw/zinc/38/50/75/368385075.db2.gz	PKCIITVQCFGKJK-UHFFFAOYSA-N	-1	1	289.268	3.135	50	5		CGBAMM
O=C(Nc1cc([O-])cc([N+](=O)[O-])c1)OCc1ccccc1	ZINC000261494382	190039678	/nfs/dbraw/zinc/03/96/78/190039678.db2.gz	WGBJZQVMFGLCMX-UHFFFAOYSA-N	-1	1	288.259	3.049	50	5		CGBAMM
O=c1cc(-c2ccc([N+](=O)[O-])cc2)c2ccc([O-])cc2o1	ZINC000003286551	285216038	/nfs/dbraw/zinc/21/60/38/285216038.db2.gz	RDKUUACFEGXQFP-UHFFFAOYSA-N	-1	1	283.239	3.074	50	5		CGBAMM
CC(=O)c1cc2c3ccccc3c(=O)oc2c(C)c1[O-]	ZINC000012894163	541852069	/nfs/dbraw/zinc/85/20/69/541852069.db2.gz	LIBSKBZKSKRHRT-UHFFFAOYSA-N	-1	1	268.268	3.163	50	5	biogenic	CGBAMM