smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOP(=O)(N=C([S-])Nc1ccc(NC([S-])=NP(=O)(OCC)OCC)c(OC)c1)OCC	ZINC000004213544	561694239	/nfs/dbraw/zinc/69/42/39/561694239.db2.gz	ZEFLNAWBWJVMFX-UHFFFAOYSA-N	-2	3	528.530	4.630	10	0	in-man	KJAEHL
COc1ccc([C@H]2Oc3cc([O-])cc(O)c3C(=O)[C@H]2[C@@H]2C(=O)c3c(O)cc([O-])cc3O[C@@H]2c2ccc(O)cc2)cc1	ZINC000059872590	554456705	/nfs/dbraw/zinc/45/67/05/554456705.db2.gz	QOPUSVUZHPIYER-GERHYJQASA-N	-2	3	556.523	4.789	10	0	biogenic,in-vitro	KJAEHL
COc1c(=O)cc2oc(-c3cc(CC[C@H](C)COC=O)c4c(c3)CCC(C)(C)O4)c(OC)c([O-])c-2c1[O-]	ZINC000102165645	554890363	/nfs/dbraw/zinc/89/03/63/554890363.db2.gz	BMIYNOPDDLPHPG-HNNXBMFYSA-N	-2	3	512.555	4.734	10	0		KJAEHL
COc1c(=O)cc2oc(-c3cc(CC[C@@H](C)COC=O)c4c(c3)CCC(C)(C)O4)c(OC)c([O-])c-2c1[O-]	ZINC000102165650	554890445	/nfs/dbraw/zinc/89/04/45/554890445.db2.gz	BMIYNOPDDLPHPG-OAHLLOKOSA-N	-2	3	512.555	4.734	10	0		KJAEHL
O=S(=O)([N-]CC[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl)c1cc(Cl)c(Cl)cc1Cl	ZINC000145889527	571456572	/nfs/dbraw/zinc/45/65/72/571456572.db2.gz	YSNFUXGGJAJSRB-UHFFFAOYSA-N	-2	3	547.096	4.864	10	0		KJAEHL
Cc1ccc2c(c1)C=Cc1cc(C)ccc1C2c1cn(Cc2ccc(C(=O)Nc3nn[n-]n3)o2)c(=O)[n-]c1=S	ZINC000199859408	961673713	/nfs/dbraw/zinc/67/37/13/961673713.db2.gz	PVKNPGQAFNALOI-UHFFFAOYSA-N	-2	3	537.605	4.593	10	0	in-vitro	KJAEHL
Cc1ccc2c(c1)C=Cc1cc(C)ccc1C2c1cn(Cc2ccc(C(=O)Nc3nnn[n-]3)o2)c(=O)[n-]c1=S	ZINC000199859408	961673663	/nfs/dbraw/zinc/67/36/63/961673663.db2.gz	PVKNPGQAFNALOI-UHFFFAOYSA-N	-2	3	537.605	4.593	10	0	in-vitro	KJAEHL