smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc([S-])c(Cl)cc1Cl	ZINC000002584568	342979120	/nfs/dbraw/zinc/97/91/20/342979120.db2.gz	SHBIPXMJAAVLGL-UHFFFAOYSA-N	-1	0	193.098	3.591	40	0		AHABRM
[S-]c1ccccc1-c1ccccc1	ZINC000004269985	171011806	/nfs/dbraw/zinc/01/18/06/171011806.db2.gz	UECUPGFJVNJNQA-UHFFFAOYSA-N	-1	0	186.279	3.642	40	0		AHABRM
O=C([O-])CCCCCC1=CCCCC1	ZINC000004403437	169337077	/nfs/dbraw/zinc/33/70/77/169337077.db2.gz	DYWZBQJZMJPHKD-UHFFFAOYSA-N	-1	0	196.290	3.522	40	0		AHABRM
CCCCCOc1ccc([S-])cc1	ZINC000036533045	343146690	/nfs/dbraw/zinc/14/66/90/343146690.db2.gz	WCNYVNGKHVOZMS-UHFFFAOYSA-N	-1	0	196.315	3.544	40	0		AHABRM
Cc1cc(Cl)cc(Cl)c1[S-]	ZINC000036533094	343146631	/nfs/dbraw/zinc/14/66/31/343146631.db2.gz	GCHOVFPRKOSQCO-UHFFFAOYSA-N	-1	0	193.098	3.591	40	0		AHABRM
CC(C)CCc1ccc([S-])cc1	ZINC000040571356	351508809	/nfs/dbraw/zinc/50/88/09/351508809.db2.gz	YZSLRTFZEUDLDQ-UHFFFAOYSA-N	-1	0	180.316	3.564	40	0		AHABRM
CCCCCOc1ccccc1[S-]	ZINC000060236357	343352114	/nfs/dbraw/zinc/35/21/14/343352114.db2.gz	PZEPHEBEJKGATR-UHFFFAOYSA-N	-1	0	196.315	3.544	40	0		AHABRM
Cc1c(Cl)ccc([S-])c1Cl	ZINC000071792190	343558667	/nfs/dbraw/zinc/55/86/67/343558667.db2.gz	GMTRCIAYQIOAQG-UHFFFAOYSA-N	-1	0	193.098	3.591	40	0		AHABRM
CCCCCOc1cccc([S-])c1	ZINC000080351233	343591463	/nfs/dbraw/zinc/59/14/63/343591463.db2.gz	MSBWHAYRQAXZDJ-UHFFFAOYSA-N	-1	0	196.315	3.544	40	0		AHABRM
O=C([O-])CCCCCCC1CCCC1	ZINC000095611361	169337645	/nfs/dbraw/zinc/33/76/45/169337645.db2.gz	YPKDXXUBAYLACD-UHFFFAOYSA-N	-1	0	198.306	3.602	40	0		AHABRM
CCCCSc1ccc([S-])cc1	ZINC000095731467	343686570	/nfs/dbraw/zinc/68/65/70/343686570.db2.gz	IAIFQYCINHEYAM-UHFFFAOYSA-N	-1	0	198.356	3.868	40	0		AHABRM
CCCCSc1cccc([S-])c1	ZINC000095731471	343686544	/nfs/dbraw/zinc/68/65/44/343686544.db2.gz	MZAOVDPSMCBPHU-UHFFFAOYSA-N	-1	0	198.356	3.868	40	0		AHABRM
CCCCSc1ccccc1[S-]	ZINC000095731474	343686559	/nfs/dbraw/zinc/68/65/59/343686559.db2.gz	XWXAKCPKOITTOX-UHFFFAOYSA-N	-1	0	198.356	3.868	40	0		AHABRM
CC(C)CSc1ccc([S-])cc1	ZINC000095731653	166479953	/nfs/dbraw/zinc/47/99/53/166479953.db2.gz	GYEPOCYSTQARPG-UHFFFAOYSA-N	-1	0	198.356	3.723	40	0		AHABRM
CC(C)CSc1cccc([S-])c1	ZINC000095731657	351672896	/nfs/dbraw/zinc/67/28/96/351672896.db2.gz	FRLUGXMOVVJHMI-UHFFFAOYSA-N	-1	0	198.356	3.723	40	0		AHABRM
CC(C)CSc1ccccc1[S-]	ZINC000095731659	351672694	/nfs/dbraw/zinc/67/26/94/351672694.db2.gz	AMMVNVFGVJZUJV-UHFFFAOYSA-N	-1	0	198.356	3.723	40	0		AHABRM