smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(C(=O)[O-])c2)s1	ZINC000559602968	544739460	/nfs/dbraw/zinc/73/94/60/544739460.db2.gz	XSGCECIMSJOZSG-UHFFFAOYSA-N	-2	2	352.349	1.817	20	30		FDEDLL
O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)C(F)C(F)(F)F	ZINC001574646768	962388045	/nfs/dbraw/zinc/38/80/45/962388045.db2.gz	HMXCIWZYWWJTAR-NGJCXOISSA-N	-2	2	368.205	1.010	20	30		FDEDLL
O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)[C@@H](F)C(F)(F)F	ZINC001574646768	962388061	/nfs/dbraw/zinc/38/80/61/962388061.db2.gz	HMXCIWZYWWJTAR-NGJCXOISSA-N	-2	2	368.205	1.010	20	30		FDEDLL
O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)C(F)C(F)(F)F	ZINC001574646770	962388849	/nfs/dbraw/zinc/38/88/49/962388849.db2.gz	HMXCIWZYWWJTAR-ZLUOBGJFSA-N	-2	2	368.205	1.010	20	30		FDEDLL
O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)[C@H](F)C(F)(F)F	ZINC001574646770	962388867	/nfs/dbraw/zinc/38/88/67/962388867.db2.gz	HMXCIWZYWWJTAR-ZLUOBGJFSA-N	-2	2	368.205	1.010	20	30		FDEDLL
N#Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(C(=O)[O-])c2)c(F)c1	ZINC000548198113	542581416	/nfs/dbraw/zinc/58/14/16/542581416.db2.gz	DMXZXHUTWOOVGI-UHFFFAOYSA-N	-2	2	364.310	1.895	20	30		FDEDLL
N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])cc1	ZINC000852732727	967557523	/nfs/dbraw/zinc/55/75/23/967557523.db2.gz	GXTZDIQYNARWOU-STQMWFEESA-N	-2	2	355.316	1.654	20	30		FDEDLL
N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])cc1	ZINC000852732726	967557967	/nfs/dbraw/zinc/55/79/67/967557967.db2.gz	GXTZDIQYNARWOU-QWHCGFSZSA-N	-2	2	355.316	1.654	20	30		FDEDLL
CSc1[nH]c(=O)c(C(=O)Nc2ccc(Cc3nn[nH]n3)cc2)cc1C#N	ZINC000476489575	841402807	/nfs/dbraw/zinc/40/28/07/841402807.db2.gz	NJESNUWEFHMVJI-UHFFFAOYSA-N	-2	2	367.394	1.737	20	30		FDEDLL
N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])cc1	ZINC000852732725	967557842	/nfs/dbraw/zinc/55/78/42/967557842.db2.gz	GXTZDIQYNARWOU-OLZOCXBDSA-N	-2	2	355.316	1.654	20	30		FDEDLL
O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)C(F)C(F)(F)F	ZINC001574646767	962389497	/nfs/dbraw/zinc/38/94/97/962389497.db2.gz	HMXCIWZYWWJTAR-HCWXCVPCSA-N	-2	2	368.205	1.010	20	30		FDEDLL
O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)[C@@H](F)C(F)(F)F	ZINC001574646767	962389515	/nfs/dbraw/zinc/38/95/15/962389515.db2.gz	HMXCIWZYWWJTAR-HCWXCVPCSA-N	-2	2	368.205	1.010	20	30		FDEDLL
O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)C(F)C(F)(F)F	ZINC001574646769	962389763	/nfs/dbraw/zinc/38/97/63/962389763.db2.gz	HMXCIWZYWWJTAR-SRQIZXRXSA-N	-2	2	368.205	1.010	20	30		FDEDLL
O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)[C@H](F)C(F)(F)F	ZINC001574646769	962389776	/nfs/dbraw/zinc/38/97/76/962389776.db2.gz	HMXCIWZYWWJTAR-SRQIZXRXSA-N	-2	2	368.205	1.010	20	30		FDEDLL
N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])cc1	ZINC000852732724	967557286	/nfs/dbraw/zinc/55/72/86/967557286.db2.gz	GXTZDIQYNARWOU-CHWSQXEVSA-N	-2	2	355.316	1.654	20	30		FDEDLL