smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(CO)c(NS(=O)(=O)c2ccc(C)cc2)cc1OC	ZINC000004244686	210151026	/nfs/dbraw/zinc/15/10/26/210151026.db2.gz	ZEANMQGTAJNXPZ-UHFFFAOYSA-N	0	0	337.397	2.305	30	0		EEACRN
NNC(=S)Nc1ccc(Br)c(Br)c1	ZINC000067800225	202331540	/nfs/dbraw/zinc/33/15/40/202331540.db2.gz	TYYDGMOUXDEBME-UHFFFAOYSA-N	0	0	325.029	2.372	30	0		EEACRN
NS(=O)(=O)c1ccc(C2N=NC(=S)N2C2CCCCC2)cc1	ZINC000575449233	468144481	/nfs/dbraw/zinc/14/44/81/468144481.db2.gz	JNHQULFBVUGSBG-UHFFFAOYSA-N	0	0	338.458	2.386	30	0		EEACRN
COC(=O)N1CCC[C@H](Nc2nnn(C)n2)c2cc(C)cc(C)c21	ZINC000113143165	1358200833	/nfs/dbraw/zinc/20/08/33/1358200833.db2.gz	BVUDZYDQGITIJZ-ZDUSSCGKSA-N	0	0	330.392	2.347	30	0		EEACRN
COC(=O)N1CCC[C@@H](Nc2nnn(C)n2)c2cc(C)cc(C)c21	ZINC000206808564	1370005917	/nfs/dbraw/zinc/00/59/17/1370005917.db2.gz	BVUDZYDQGITIJZ-CYBMUJFWSA-N	0	0	330.392	2.347	30	0		EEACRN
CC(=O)O[C@@H]1C[C@@H](NC(=O)OCc2ccccc2)CC[C@@H]1OC(C)=O	ZINC000498051122	564113125	/nfs/dbraw/zinc/11/31/25/564113125.db2.gz	UHYVPOKIUIUCKO-YESZJQIVSA-N	0	0	349.383	2.329	30	0		EEACRN
COc1ccc(S(=O)(=O)c2nc(Br)ns2)cc1	ZINC000015444327	462952563	/nfs/dbraw/zinc/95/25/63/462952563.db2.gz	ONJJPSBBRCUDQU-UHFFFAOYSA-N	0	0	335.204	2.142	30	0		EEACRN