smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccccc1OCc1ccccc1Cl	ZINC000515331173	1071120351	/nfs/dbraw/zinc/12/03/51/1071120351.db2.gz	DYZFRWLLGNFNMP-UHFFFAOYSA-N	0	2	500.001	5.429	20	0		KKADLN
O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)[C@H](Oc1ccc(Cl)cc1)c1ccccc1	ZINC000520972566	1071127513	/nfs/dbraw/zinc/12/75/13/1071127513.db2.gz	BOCHQTCGCWCRFP-OAQYLSRUSA-N	0	2	500.001	5.356	20	0		KKADLN
O=C(COc1ccc(-c2ccccc2)cc1Cl)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1	ZINC000498667572	1071188514	/nfs/dbraw/zinc/18/85/14/1071188514.db2.gz	OIVVXYVPAPRQPB-UHFFFAOYSA-N	0	2	500.001	5.282	20	0		KKADLN
O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccccc1OCc1ccc(Cl)cc1	ZINC000014906601	1071191833	/nfs/dbraw/zinc/19/18/33/1071191833.db2.gz	OIGKUNWRUDDTEO-UHFFFAOYSA-N	0	2	500.001	5.429	20	0		KKADLN
COc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1-c1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)ccc1O	ZINC000044351165	291971297	/nfs/dbraw/zinc/97/12/97/291971297.db2.gz	OIFVLHZEBAXHPM-UHFFFAOYSA-N	0	2	552.491	5.437	20	0	biogenic,in-vitro	KKADLN
O=C(NCc1ccc(S(=O)(=O)Nc2ccc(Oc3ccnc(Cl)c3)cc2)s1)c1ccccc1	ZINC001260123136	1072918466	/nfs/dbraw/zinc/91/84/66/1072918466.db2.gz	HMYFVDCJWSQTGK-UHFFFAOYSA-N	0	2	500.001	5.320	20	0		KKADLN
Cc1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1S(=O)(=O)Nc1csc(-c2ccncc2)n1	ZINC001259557031	1072918391	/nfs/dbraw/zinc/91/83/91/1072918391.db2.gz	LAEXRLJPPZZHLW-UHFFFAOYSA-N	0	2	500.005	5.612	20	0		KKADLN
O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)[C@@H](Oc1ccc(Cl)cc1)c1ccccc1	ZINC000520972565	1071127594	/nfs/dbraw/zinc/12/75/94/1071127594.db2.gz	BOCHQTCGCWCRFP-NRFANRHFSA-N	0	2	500.001	5.356	20	0		KKADLN
O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc(COc2ccc(Cl)cc2)cc1	ZINC000641926133	1072832017	/nfs/dbraw/zinc/83/20/17/1072832017.db2.gz	TUHYEOZHQMFDDC-UHFFFAOYSA-N	0	2	500.001	5.429	20	0		KKADLN
Cc1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1S(=O)(=O)Nc1cc(-c2ccncn2)cs1	ZINC001259556079	1072918492	/nfs/dbraw/zinc/91/84/92/1072918492.db2.gz	KRHUXOHDVVOAKE-UHFFFAOYSA-N	0	2	500.005	5.612	20	0		KKADLN
COc1cc(-c2cc3[nH]c(Cc4nc5cc(Cl)ccc5s4)nc(=O)c3s2)cc(OC)c1OC	ZINC000614443037	1071084137	/nfs/dbraw/zinc/08/41/37/1071084137.db2.gz	ONRFTGHTABLOJC-UHFFFAOYSA-N	0	2	500.001	5.531	20	0		KKADLN
O=C(CSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)NC12CC3CC(CC(C3)C1)C2	ZINC000514379989	1071101758	/nfs/dbraw/zinc/10/17/58/1071101758.db2.gz	GONMEUJWALNHBK-UHFFFAOYSA-N	0	2	582.773	5.373	20	0		KKADLN