smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CS(=O)(=O)N[C@@H]1CCN(C(=O)c2ccc(Br)c([O-])c2)C1	ZINC000160613569	488792870	/nfs/dbraw/zinc/79/28/70/488792870.db2.gz	XDVFJQMMPUPUCF-SECBINFHSA-N	-1	1	363.233	0.918	10	70		FCIEMM
Cc1cccc2nc(CNC(=O)c3c[nH]c4nc(=O)[n-]c(=O)c-4c3)[nH]c21	ZINC000160533979	488792129	/nfs/dbraw/zinc/79/21/29/488792129.db2.gz	MSSGCXBIPUJSTP-UHFFFAOYSA-N	-1	1	350.338	0.726	10	70		FCIEMM
Cc1ccc([C@H](C)C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1	ZINC000159681690	488786825	/nfs/dbraw/zinc/78/68/25/488786825.db2.gz	MDTIEUKFRDGOEZ-GFCCVEGCSA-N	-1	1	351.428	0.474	10	70		FCIEMM
Cc1ccc([C@@H](C)C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1	ZINC000159681568	488786817	/nfs/dbraw/zinc/78/68/17/488786817.db2.gz	MDTIEUKFRDGOEZ-LBPRGKRZSA-N	-1	1	351.428	0.474	10	70		FCIEMM
C[N-]S(=O)(=O)c1cc(C(=O)NCc2cn(C)nc2C(F)(F)F)co1	ZINC000161212991	208835330	/nfs/dbraw/zinc/83/53/30/208835330.db2.gz	DTYBYDMDZLWDSL-UHFFFAOYSA-N	-1	1	366.321	0.870	10	70		FCIEMM
CS(=O)(=O)N[C@H]1CCN(C(=O)c2ccc(Br)c([O-])c2)C1	ZINC000160613707	488792752	/nfs/dbraw/zinc/79/27/52/488792752.db2.gz	XDVFJQMMPUPUCF-VIFPVBQESA-N	-1	1	363.233	0.918	10	70		FCIEMM