smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc([O-])c2c(=O)c3c(cccc3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc-2o1	ZINC000006069586	569039329	/nfs/dbraw/zinc/03/93/29/569039329.db2.gz	SBVZTBIAKFTNIJ-CZNQJBLBSA-N	-1	1	404.371	0.139	40	5	biogenic	HCBBMM
CC(=O)Nc1nc(C)c(CCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(=O)[n-]1	ZINC000017025387	569271897	/nfs/dbraw/zinc/27/18/97/569271897.db2.gz	CNSMTLSWUUGXKS-UHFFFAOYSA-N	-1	1	409.424	0.856	40	5		HCBBMM
O=C(Nc1ccccc1[N+](=O)[O-])[C@@H]1CC(=O)Nc2nc(N3CCOCC3)[n-]c(=O)c21	ZINC000019961070	568586170	/nfs/dbraw/zinc/58/61/70/568586170.db2.gz	NNNIQINAYFXLTB-SNVBAGLBSA-N	-1	1	414.378	0.579	40	5		HCBBMM
O=C(Nc1ccccc1[N+](=O)[O-])[C@H]1CC(=O)Nc2nc(N3CCOCC3)[n-]c(=O)c21	ZINC000019961074	568586092	/nfs/dbraw/zinc/58/60/92/568586092.db2.gz	NNNIQINAYFXLTB-JTQLQIEISA-N	-1	1	414.378	0.579	40	5		HCBBMM
O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CC(=O)Nc2nc(N3CCOCC3)[n-]c(=O)c21	ZINC000020800122	527375280	/nfs/dbraw/zinc/37/52/80/527375280.db2.gz	NQLQBSRDLCQHGA-GFCCVEGCSA-N	-1	1	414.378	0.579	40	5		HCBBMM
O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CC(=O)Nc2nc(N3CCOCC3)[n-]c(=O)c21	ZINC000020800126	527375620	/nfs/dbraw/zinc/37/56/20/527375620.db2.gz	NQLQBSRDLCQHGA-LBPRGKRZSA-N	-1	1	414.378	0.579	40	5		HCBBMM
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CC(=O)Nc2nc(N3CCOCC3)[n-]c(=O)c21	ZINC000020800130	527260357	/nfs/dbraw/zinc/26/03/57/527260357.db2.gz	XSCKYBMGDZSLIW-GFCCVEGCSA-N	-1	1	414.378	0.579	40	5		HCBBMM
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1CC(=O)Nc2nc(N3CCOCC3)[n-]c(=O)c21	ZINC000020800134	527261638	/nfs/dbraw/zinc/26/16/38/527261638.db2.gz	XSCKYBMGDZSLIW-LBPRGKRZSA-N	-1	1	414.378	0.579	40	5		HCBBMM
Nc1nc(SCC(=O)[O-])[nH]c(=O)c1NS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000031772401	568930830	/nfs/dbraw/zinc/93/08/30/568930830.db2.gz	NOANZWJPDCKCQO-UHFFFAOYSA-N	-1	1	401.382	0.238	40	5		HCBBMM
O=C(COc1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)cc1)N1CCOCC1	ZINC000098031142	559022862	/nfs/dbraw/zinc/02/28/62/559022862.db2.gz	JAFZQBDWPUORQO-UTCJRWHESA-N	-1	1	402.363	0.792	40	5		HCBBMM
COC(=O)C([O-])=C(C(=O)OC)C(=O)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	ZINC000102957816	560835816	/nfs/dbraw/zinc/83/58/16/560835816.db2.gz	DADXGQMAOSSLEK-QMMMGPOBSA-N	-1	1	421.145	0.941	40	5		HCBBMM
COC(=O)C([O-])=C(C(=O)OC)C(=O)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	ZINC000102957819	560835809	/nfs/dbraw/zinc/83/58/09/560835809.db2.gz	DADXGQMAOSSLEK-MRVPVSSYSA-N	-1	1	421.145	0.941	40	5		HCBBMM
O=C(Nc1c(Cl)cc([N+](=O)[O-])cc1Cl)C([O-])=C1C(=O)NC(=S)NC1=O	ZINC000102970990	560836186	/nfs/dbraw/zinc/83/61/86/560836186.db2.gz	VKYZUTWNVKMMBR-UHFFFAOYSA-N	-1	1	405.175	0.556	40	5		HCBBMM