smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCc1ccc(-c2ccc(S)cc2)cc1	ZINC000015441833	169019033	/nfs/dbraw/zinc/01/90/33/169019033.db2.gz	AOOWOXHZADCSDT-UHFFFAOYSA-N	0	2	242.387	4.985	40	0		BJABLN
CCCCc1ccc(-c2cccc(S)c2)cc1	ZINC000015441834	169019287	/nfs/dbraw/zinc/01/92/87/169019287.db2.gz	PDKNPTQEAXFNKT-UHFFFAOYSA-N	0	2	242.387	4.985	40	0		BJABLN
CCCc1ccc(-c2ccc(S)cc2)cc1	ZINC000015441850	169568506	/nfs/dbraw/zinc/56/85/06/169568506.db2.gz	CRTRPRGGKHZXAR-UHFFFAOYSA-N	0	2	228.360	4.595	40	0		BJABLN
CCCc1ccc(-c2cccc(S)c2)cc1	ZINC000015441852	344204400	/nfs/dbraw/zinc/20/44/00/344204400.db2.gz	ZIEJHXGRHKXWLZ-UHFFFAOYSA-N	0	2	228.360	4.595	40	0		BJABLN
CC(C)(C)c1ccc(-c2ccc(S)cc2)cc1	ZINC000095728282	387000356	/nfs/dbraw/zinc/00/03/56/387000356.db2.gz	BRCJLLKYYQLXIT-UHFFFAOYSA-N	0	2	242.387	4.940	40	0		BJABLN
CCCCCCSc1ccc(S)cc1	ZINC000095731477	385615240	/nfs/dbraw/zinc/61/52/40/385615240.db2.gz	JHYSBFUBEQYENM-UHFFFAOYSA-N	0	2	226.410	4.648	40	0		BJABLN
CCCCCCSc1cccc(S)c1	ZINC000095731481	385617241	/nfs/dbraw/zinc/61/72/41/385617241.db2.gz	ZZHOXSSSJJCNOK-UHFFFAOYSA-N	0	2	226.410	4.648	40	0		BJABLN
CCCCCCSc1ccccc1S	ZINC000095731483	385615752	/nfs/dbraw/zinc/61/57/52/385615752.db2.gz	MBRVILAEHLNRPA-UHFFFAOYSA-N	0	2	226.410	4.648	40	0		BJABLN