smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(S(=O)(=O)O[C@@H]2[C@H](O)[C@H](CO)O[C@@H]2n2ncc(=O)[nH]c2=O)cc1	ZINC000009090515	1074862275	/nfs/dbraw/zinc/86/22/75/1074862275.db2.gz	NZRUIDPKWIIQOK-ASEORRQLSA-N	0	2	399.381	-1.735	50	30		GAEALN
Cn1c2nc(NN=C3C(=O)N(C)C(=O)N(C)C3=O)n(CCO)c2c(=O)[nH]c1=O	ZINC000009849194	206373533	/nfs/dbraw/zinc/37/35/33/206373533.db2.gz	ZCBSXPROWQSDJC-UHFFFAOYSA-N	0	2	392.332	-2.766	50	30		GAEALN
CC(C)n1c(NN=C2C(=O)N(C)C(=O)N(C)C2=O)nc2c1c(=O)[nH]c(=O)n2C	ZINC000009849202	212235091	/nfs/dbraw/zinc/23/50/91/212235091.db2.gz	VZMZVPCEQJTGNF-UHFFFAOYSA-N	0	2	390.360	-1.178	50	30		GAEALN
Cc1ccc(S(=O)(=O)O[C@@H]2[C@H](O)[C@@H](CO)O[C@@H]2n2ncc(=O)[nH]c2=O)cc1	ZINC000015906812	570908321	/nfs/dbraw/zinc/90/83/21/570908321.db2.gz	NZRUIDPKWIIQOK-ZRJCITRHSA-N	0	2	399.381	-1.735	50	30		GAEALN
Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1C#CCNC(=O)C(F)(F)F	ZINC000082013655	527541057	/nfs/dbraw/zinc/54/10/57/527541057.db2.gz	OKLUSVKQOCPUNW-IVZWLZJFSA-N	0	2	376.291	-1.504	50	30		GAEALN
Cc1ccc(S(=O)(=O)O[C@@H]2[C@H](O)[C@H](CO)O[C@H]2n2ncc(=O)[nH]c2=O)cc1	ZINC000102138762	570841736	/nfs/dbraw/zinc/84/17/36/570841736.db2.gz	NZRUIDPKWIIQOK-IGHBBLSQSA-N	0	2	399.381	-1.735	50	30		GAEALN
Cc1ccc(S(=O)(=O)O[C@@H]2[C@H](O)[C@@H](CO)O[C@H]2n2ncc(=O)[nH]c2=O)cc1	ZINC000102138764	570841894	/nfs/dbraw/zinc/84/18/94/570841894.db2.gz	NZRUIDPKWIIQOK-FMKGYKFTSA-N	0	2	399.381	-1.735	50	30		GAEALN
O=C(NCC#Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O)C(F)(F)F	ZINC000117826904	570292341	/nfs/dbraw/zinc/29/23/41/570292341.db2.gz	HCKMZBZCHQQZRJ-IVZWLZJFSA-N	0	2	377.275	-1.793	50	30		GAEALN