smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)CN(CC(=O)[O-])C(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000737606340	599754052	/nfs/dbraw/zinc/75/40/52/599754052.db2.gz	YBIXBNALUJDBDW-UHFFFAOYSA-N	-2	3	369.355	-1.189	20	30		FAEDHL
O=C(CN=C1[N-]S(=O)(=O)c2ccccc21)NCCc1nc(=O)o[n-]1	ZINC000790076632	658566243	/nfs/dbraw/zinc/56/62/43/658566243.db2.gz	IZFHSYYQTSATPB-UHFFFAOYSA-N	-2	3	351.344	-1.240	20	30		FAEDHL
O=C([O-])CNC(=O)COC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC000821531447	597825185	/nfs/dbraw/zinc/82/51/85/597825185.db2.gz	HUINVUGZAHSDHF-UHFFFAOYSA-N	-2	3	355.328	-1.531	20	30		FAEDHL
N#Cc1cnc(NC(=O)C([O-])=C([O-])[C@H](O)[C@@H](O)CO)c(Br)c1	ZINC001144893135	790899780	/nfs/dbraw/zinc/89/97/80/790899780.db2.gz	MAPJOZIYJDIANI-DJLDLDEBSA-N	-2	3	374.147	-1.702	20	30		FAEDHL
N#Cc1cnc(NC(=O)C([O-])=C([O-])[C@@H](O)[C@H](O)CO)c(Br)c1	ZINC001144893136	790900143	/nfs/dbraw/zinc/90/01/43/790900143.db2.gz	MAPJOZIYJDIANI-HRDYMLBCSA-N	-2	3	374.147	-1.702	20	30		FAEDHL
N#Cc1cnc(NC(=O)C([O-])=C([O-])[C@H](O)[C@H](O)CO)c(Br)c1	ZINC001144893137	790900193	/nfs/dbraw/zinc/90/01/93/790900193.db2.gz	MAPJOZIYJDIANI-IWSPIJDZSA-N	-2	3	374.147	-1.702	20	30		FAEDHL
N#Cc1cnc(NC(=O)C([O-])=C([O-])[C@@H](O)[C@@H](O)CO)c(Br)c1	ZINC001144893138	790900061	/nfs/dbraw/zinc/90/00/61/790900061.db2.gz	MAPJOZIYJDIANI-XHNCKOQMSA-N	-2	3	374.147	-1.702	20	30		FAEDHL
C=C[C@@H]1C[C@]1([N-]S(=O)(=O)CC(=O)OC)C(=O)[N-]S(=O)(=O)C1CC1	ZINC001259031370	794025893	/nfs/dbraw/zinc/02/58/93/794025893.db2.gz	KQQJFGQYGUEDFV-PRHODGIISA-N	-2	3	366.417	-1.368	20	30		FAEDHL