smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=Nc1c(O)cc(O)cc1F	115006037	573153772	/nfs/dbraw/zinc/15/37/72/573153772.db2.gz	GAUQHQVSPZGCMH-UHFFFAOYSA-N	-2	2	157.100	1.635	10	0		ADAELL
O=C([O-])c1cccc(C(=O)[O-])c1S	118199336	573390516	/nfs/dbraw/zinc/39/05/16/573390516.db2.gz	QRKINFKUIIOUTP-UHFFFAOYSA-N	-2	2	198.199	1.372	10	0		ADAELL
O=C([O-])c1cccc(S)c1C(=O)[O-]	116157940	573252905	/nfs/dbraw/zinc/25/29/05/573252905.db2.gz	PMIOLXGZINEJLR-UHFFFAOYSA-N	-2	2	198.199	1.372	10	0		ADAELL
Cc1c(O)c(N=O)c(O)c(N=O)c1O	238535507	573838192	/nfs/dbraw/zinc/83/81/92/573838192.db2.gz	HCQFYPBSIFPUKO-UHFFFAOYSA-N	-3	2	198.134	1.908	10	0		ADAELL
O=C([O-])c1cc(S)cc(C(=O)[O-])c1	34411720	169356326	/nfs/dbraw/zinc/35/63/26/169356326.db2.gz	DZAUSWZMCCLUIJ-UHFFFAOYSA-N	-2	2	198.199	1.372	10	0		ADAELL
O=C([O-])c1cc([S-])cc(S)c1	39647243	169356493	/nfs/dbraw/zinc/35/64/93/169356493.db2.gz	SZYZOUJPUFNQKS-UHFFFAOYSA-N	-2	2	186.257	1.962	10	0		ADAELL
O=C([O-])c1ccc(C(=O)[O-])c(S)c1	32600219	169357511	/nfs/dbraw/zinc/35/75/11/169357511.db2.gz	FFHNZBHCEGONDG-UHFFFAOYSA-N	-2	2	198.199	1.372	10	0		ADAELL
O=C([O-])c1[nH+]cc([S-])cc1[S-]	75577699	171219495	/nfs/dbraw/zinc/21/94/95/171219495.db2.gz	QWZHLFIMQHWSCA-UHFFFAOYSA-N	-2	2	187.245	1.357	10	0		ADAELL
O=C([O-])c1cccc(S)c1[S-]	34742763	343124506	/nfs/dbraw/zinc/12/45/06/343124506.db2.gz	CUUWAGAEOZKKCW-UHFFFAOYSA-N	-2	2	186.257	1.962	10	0		ADAELL
O=C([O-])c1cccc([S-])c1S	34742763	343124509	/nfs/dbraw/zinc/12/45/09/343124509.db2.gz	CUUWAGAEOZKKCW-UHFFFAOYSA-N	-2	2	186.257	1.962	10	0		ADAELL
O=C([O-])c1ccc(S)c(C(=O)[O-])c1	137247347	343984224	/nfs/dbraw/zinc/98/42/24/343984224.db2.gz	GEYGOJBLTAKAFS-UHFFFAOYSA-N	-2	2	198.199	1.372	10	0		ADAELL
O=C([O-])c1ccc(S)c([S-])c1	138921684	343991688	/nfs/dbraw/zinc/99/16/88/343991688.db2.gz	PUMLYCMXOUJUDM-UHFFFAOYSA-N	-2	2	186.257	1.962	10	0		ADAELL
O=C([O-])c1ccc([S-])c(S)c1	138921684	343991690	/nfs/dbraw/zinc/99/16/90/343991690.db2.gz	PUMLYCMXOUJUDM-UHFFFAOYSA-N	-2	2	186.257	1.962	10	0		ADAELL
Oc1ccc2n[nH]nc2c1Cl	95930786	351676668	/nfs/dbraw/zinc/67/66/68/351676668.db2.gz	UUEMIFYCDMGYAI-UHFFFAOYSA-N	-2	2	169.571	1.317	10	0		ADAELL