smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)C[C@H]1c2ccc([O-])cc2OC(=O)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000001642495	204014629	/nfs/dbraw/zinc/01/46/29/204014629.db2.gz	WPLFDBWMNQEMQG-YJBOKZPZSA-N	-1	3	371.345	3.040	1	5		FGBFHM
O=C([N-]C(=O)c1nc2cc(Cl)ccc2[nH]1)Nc1ccc([N+](=O)[O-])cc1	ZINC000103290463	209252542	/nfs/dbraw/zinc/25/25/42/209252542.db2.gz	YGJRVTDDLQLRGE-UHFFFAOYSA-N	-1	3	359.729	3.086	1	5		FGBFHM
COc1ccc2c(=O)c3c([O-])cc4c(c3n(C)c2c1O)C=CC(C)(C)O4	ZINC000013397657	574413239	/nfs/dbraw/zinc/41/32/39/574413239.db2.gz	AOYGNVHBYGMHGR-UHFFFAOYSA-N	-1	3	353.374	3.296	1	5	endogenous,in-man	FGBFHM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc3nc4cc[nH]cc-4c3c2)c1	ZINC000064548884	221147232	/nfs/dbraw/zinc/14/72/32/221147232.db2.gz	UANHPGXDIJVKHK-UHFFFAOYSA-N	-1	3	368.374	3.425	1	5		FGBFHM
COc1cc([O-])c2c(cc(C)c3c4c(c(=O)oc32)C[C@H](C(C)(C)O)O4)c1	ZINC000014883263	291070747	/nfs/dbraw/zinc/07/07/47/291070747.db2.gz	ODUQIJIFQQMYFS-CQSZACIVSA-N	-1	3	356.374	3.043	1	5	biogenic,in-vitro	FGBFHM
CCOC(=O)C[C@@H]1c2ccc([O-])cc2OC(=O)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000001642498	204014520	/nfs/dbraw/zinc/01/45/20/204014520.db2.gz	WPLFDBWMNQEMQG-CRAIPNDOSA-N	-1	3	371.345	3.040	1	5		FGBFHM
CCOC(=O)C[C@@H]1c2ccc([O-])cc2OC(=O)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000001642496	204015451	/nfs/dbraw/zinc/01/54/51/204015451.db2.gz	WPLFDBWMNQEMQG-QAPCUYQASA-N	-1	3	371.345	3.040	1	5		FGBFHM
CCCCCOCc1nc2ccc([N+](=O)[O-])cc2c([O-])c1C(=O)OCC	ZINC000169308228	206248517	/nfs/dbraw/zinc/24/85/17/206248517.db2.gz	CHIHBHXHPRVOHC-UHFFFAOYSA-N	-1	3	362.382	3.320	1	5		FGBFHM
CNc1nc(C)c(-c2nc(Nc3cccc([N+](=O)[O-])c3)ncc2[O-])s1	ZINC000095604245	209085133	/nfs/dbraw/zinc/08/51/33/209085133.db2.gz	XGOGJKVSHQHTDQ-UHFFFAOYSA-N	-1	3	358.383	3.308	1	5		FGBFHM
O=C1[N-]C(=O)c2c1c1c(cc2-c2ccccc2[N+](=O)[O-])[nH]c2ccc(O)cc21	ZINC000034804065	208111257	/nfs/dbraw/zinc/11/12/57/208111257.db2.gz	ZICPUCCVCNBZJC-UHFFFAOYSA-N	-1	3	373.324	3.486	1	5		FGBFHM
COc1ccc2oc3c([O-])cc(/C=C\C(C)(C)O)c(OC)c3c(=O)c2c1	ZINC000035930710	291072917	/nfs/dbraw/zinc/07/29/17/291072917.db2.gz	IWSMDIJQXFUPPE-FPLPWBNLSA-N	-1	3	356.374	3.453	1	5	biogenic,in-vitro	FGBFHM
O=C1[N-]C(=O)c2c1c1c3cccc(O)c3[nH]c1c1[nH]c3c(cccc3O)c12	ZINC000000597516	210180144	/nfs/dbraw/zinc/18/01/44/210180144.db2.gz	FETFZHLVPOJEBR-UHFFFAOYSA-N	-1	3	357.325	3.250	1	5		FGBFHM
COC(=O)c1cc2c(c3c4cc([O-])cc(OC)c4cc([N+](=O)[O-])c13)OCO2	ZINC000095909648	291069581	/nfs/dbraw/zinc/06/95/81/291069581.db2.gz	QMESNXUOUIOQTL-UHFFFAOYSA-N	-1	3	371.301	3.131	1	5	biogenic,in-vitro	FGBFHM
O=c1[n-]c2c3ccccc3oc(=O)c2nc1NC12CC3CC(CC(C3)C1)C2	ZINC000017219081	220210999	/nfs/dbraw/zinc/21/09/99/220210999.db2.gz	LCRTYFSWUXCOCY-UHFFFAOYSA-N	-1	3	363.417	3.410	1	5		FGBFHM