smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)Nc1c([O-])nc(SCC(=O)N2CCN(c3ccc(F)cc3)CC2)[n-]c1=O	ZINC000003659170	132267972	/nfs/dbraw/zinc/26/79/72/132267972.db2.gz	ULMXSPJZIXQBBU-UHFFFAOYSA-N	-2	3	421.454	-0.275	50	0		HBAAHL
O=c1[n-]c(=O)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)c[nH]1	ZINC000010188268	571296323	/nfs/dbraw/zinc/29/63/23/571296323.db2.gz	CQVXPZRIFPSFNS-UHFFFAOYSA-N	-3	3	424.420	-0.545	50	0		HBAAHL
Nc1[nH]c(=O)[n-]c(=O)c1-c1c(-c2ccc3c(c2)OCCO3)nc2[nH]c(=O)[nH]c([O-])c1-2	ZINC000012375215	558391622	/nfs/dbraw/zinc/39/16/22/558391622.db2.gz	YCPJCTLIINFXQW-UHFFFAOYSA-N	-2	3	410.346	-0.392	50	0		HBAAHL
O=c1[n-]c(=O)c(S(=O)(=O)[N-]Cc2ccc(S(=O)(=O)N3CCCC3)cc2)c[nH]1	ZINC000033327136	559059694	/nfs/dbraw/zinc/05/96/94/559059694.db2.gz	DDLPHXMRIKXAAB-UHFFFAOYSA-N	-2	3	414.465	-0.262	50	0		HBAAHL
Cc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)Nc1ccc(-n2nnc(C(=O)[O-])c2N)cc1	ZINC000033435972	559192482	/nfs/dbraw/zinc/19/24/82/559192482.db2.gz	BYWXAHGJHOPMNG-UHFFFAOYSA-N	-2	3	407.368	-0.966	50	0		HBAAHL
Cn1c(=O)[nH]c(=O)c2nc(CCC(=O)N[C@H](Cc3ccccc3)C(=O)[O-])c(=O)[n-]c21	ZINC000240465945	568730357	/nfs/dbraw/zinc/73/03/57/568730357.db2.gz	GBQHBSIAQLFSAZ-GFCCVEGCSA-N	-2	3	413.390	-0.121	50	0		HBAAHL
Cn1c(=O)[nH]c(=O)c2nc(CCC(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])c(=O)[n-]c21	ZINC000240465946	568730317	/nfs/dbraw/zinc/73/03/17/568730317.db2.gz	GBQHBSIAQLFSAZ-LBPRGKRZSA-N	-2	3	413.390	-0.121	50	0		HBAAHL
Cc1c(C(=O)[N-]N=C2c3ccccc3N(CC(=O)[O-])C2=O)nnn1-c1nonc1N	ZINC000253483624	569251103	/nfs/dbraw/zinc/25/11/03/569251103.db2.gz	KLPIAYMPVWEGGD-UHFFFAOYSA-N	-2	3	411.338	-0.894	50	0		HBAAHL