smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[O-]c1c(Cl)cccc1-c1ccccc1	ZINC000001641025	383914492	/nfs/dbraw/zinc/91/44/92/383914492.db2.gz	XBILVINOJVKEHG-UHFFFAOYSA-N	-1	1	204.656	3.713	40	0		BHABMM
Cc1cccc(C(=O)c2ccccc2Cl)c1[O-]	ZINC000001712753	179026925	/nfs/dbraw/zinc/02/69/25/179026925.db2.gz	LEELUMOXNADSHA-UHFFFAOYSA-N	-1	1	246.693	3.585	40	0		BHABMM
Cc1ccc([O-])c(C(=O)c2cccc(Cl)c2)c1	ZINC000001712755	342710715	/nfs/dbraw/zinc/71/07/15/342710715.db2.gz	LGAUSQYBRVKFEO-UHFFFAOYSA-N	-1	1	246.693	3.585	40	0		BHABMM
Cc1cccc(C(=O)c2ccc(Cl)cc2)c1[O-]	ZINC000001712757	179027362	/nfs/dbraw/zinc/02/73/62/179027362.db2.gz	RTAQNUUHINNFBO-UHFFFAOYSA-N	-1	1	246.693	3.585	40	0		BHABMM
Cc1cccc(C(=O)c2cccc(Cl)c2)c1[O-]	ZINC000001712839	179026829	/nfs/dbraw/zinc/02/68/29/179026829.db2.gz	JCSQCQSCPJILQR-UHFFFAOYSA-N	-1	1	246.693	3.585	40	0		BHABMM
[S-]c1nc2c3ccccc3sc2s1	ZINC000004713698	342751016	/nfs/dbraw/zinc/75/10/16/342751016.db2.gz	SKESCGRXTXJXIN-UHFFFAOYSA-N	-1	1	223.347	3.800	40	0		BHABMM
CCCCCC(=O)c1cccc(Cl)c1[O-]	ZINC000005417905	342763632	/nfs/dbraw/zinc/76/36/32/342763632.db2.gz	INQOKHKJAIGLET-UHFFFAOYSA-N	-1	1	226.703	3.809	40	0		BHABMM
CCCCCC(=O)c1ccc([O-])c2ncccc12	ZINC000005460042	342764278	/nfs/dbraw/zinc/76/42/78/342764278.db2.gz	CEPBMPZMPWJWRK-UHFFFAOYSA-N	-1	1	243.306	3.703	40	0		BHABMM
CCCCc1c(C)[n-]n(-c2cccc(C)c2)c1=O	ZINC000010157359	187249545	/nfs/dbraw/zinc/24/95/45/187249545.db2.gz	ZNMVALYSWKEMCM-UHFFFAOYSA-N	-1	1	244.338	3.537	40	0		BHABMM
CCCCc1c(C)[n-]n(-c2ccccc2C)c1=O	ZINC000010157380	187249566	/nfs/dbraw/zinc/24/95/66/187249566.db2.gz	NWXRUXDMMVEQSS-UHFFFAOYSA-N	-1	1	244.338	3.537	40	0		BHABMM
CC(C)(C)c1cc([O-])cc(C(C)(C)C)c1C=O	ZINC000034751495	711979121	/nfs/dbraw/zinc/97/91/21/711979121.db2.gz	FVZKXCAURJYJGJ-UHFFFAOYSA-N	-1	1	234.339	3.800	40	0		BHABMM
Cc1cccc(NCc2ccc([O-])c(Cl)c2)c1	ZINC000043476611	179150535	/nfs/dbraw/zinc/15/05/35/179150535.db2.gz	YEHNPSFQTVHISK-UHFFFAOYSA-N	-1	1	247.725	3.966	40	0		BHABMM
[O-]c1ccc(CNc2ccccc2)cc1Cl	ZINC000043476622	183271839	/nfs/dbraw/zinc/27/18/39/183271839.db2.gz	OIASWLUDDBXQBK-UHFFFAOYSA-N	-1	1	233.698	3.658	40	0		BHABMM
Cc1ccc(NCc2ccc([O-])c(Cl)c2)cc1	ZINC000043476957	344518639	/nfs/dbraw/zinc/51/86/39/344518639.db2.gz	KDFVEPXURFPDST-UHFFFAOYSA-N	-1	1	247.725	3.966	40	0		BHABMM
Cc1ccccc1NCc1ccc([O-])c(Cl)c1	ZINC000043476972	179306298	/nfs/dbraw/zinc/30/62/98/179306298.db2.gz	JDFAKJYHXUFKPG-UHFFFAOYSA-N	-1	1	247.725	3.966	40	0		BHABMM
O=Cc1cc(-c2ccc(Cl)s2)ccc1[O-]	ZINC000096312824	182861097	/nfs/dbraw/zinc/86/10/97/182861097.db2.gz	AYXBMZGWERTXRR-UHFFFAOYSA-N	-1	1	238.695	3.587	40	0		BHABMM
[O-]c1ccc(Cl)c2scc(Cl)c21	ZINC000228941585	526346889	/nfs/dbraw/zinc/34/68/89/526346889.db2.gz	DZVDBPFBFVQHEV-UHFFFAOYSA-N	-1	1	219.092	3.914	40	0		BHABMM