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)Nc2cn(C)nc2C(F)(F)F)c(C)c1C(=O)[O-]	ZINC000463433402	564881546	/nfs/dbraw/zinc/88/15/46/564881546.db2.gz	XCBMUFFZNYPIPK-UHFFFAOYSA-N	-1	2	377.344	2.555	40	0		GFABLM
COc1cc(C2=CC(=O)O[C@H]2CC(=O)[O-])c(OC)c(O)c1-c1ccc(O)cc1	ZINC000031170153	560090147	/nfs/dbraw/zinc/09/01/47/560090147.db2.gz	CLNCCYGZTAZYLJ-AWEZNQCLSA-N	-1	2	386.356	2.566	40	0	biogenic,in-vitro	GFABLM
COc1cc(C2=CC(=O)O[C@@H]2CC(=O)[O-])c(OC)c(O)c1-c1ccc(O)cc1	ZINC000031170150	560090135	/nfs/dbraw/zinc/09/01/35/560090135.db2.gz	CLNCCYGZTAZYLJ-CQSZACIVSA-N	-1	2	386.356	2.566	40	0	biogenic,in-vitro	GFABLM
CCn1ncc(NS(=O)(=O)c2cccc(C(=O)[O-])c2C)c1C(F)(F)F	ZINC000410406566	563589958	/nfs/dbraw/zinc/58/99/58/563589958.db2.gz	LPTYYZCMOLCBJL-UHFFFAOYSA-N	-1	2	377.344	2.729	40	0		GFABLM
COc1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)c(C(C)=O)cc1OC	ZINC000223370979	570462299	/nfs/dbraw/zinc/46/22/99/570462299.db2.gz	XVBVJESVCBUYAR-UHFFFAOYSA-N	-1	2	397.380	2.545	40	0		GFABLM
CCn1ncc(NS(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)c1C(F)(F)F	ZINC000507986619	564250140	/nfs/dbraw/zinc/25/01/40/564250140.db2.gz	UVJVCZKRANXABM-UHFFFAOYSA-N	-1	2	377.344	2.729	40	0		GFABLM
Cc1c(NS(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)cnn1[C@@H]1CCOC1	ZINC000451094532	570836191	/nfs/dbraw/zinc/83/61/91/570836191.db2.gz	ICNYEASGUKJKIP-LLVKDONJSA-N	-1	2	399.856	2.614	40	0		GFABLM
COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)c2cccnc12	ZINC000223370898	570462268	/nfs/dbraw/zinc/46/22/68/570462268.db2.gz	ZMQJKEKPMCBDEG-UHFFFAOYSA-N	-1	2	376.365	2.882	40	0		GFABLM
Cc1cc(S(=O)(=O)Nc2nc(-c3ccccn3)n[nH]2)c([S-])cc1Cl	ZINC000031862153	210569265	/nfs/dbraw/zinc/56/92/65/210569265.db2.gz	WXPHALLOHYTUIX-UHFFFAOYSA-N	-1	2	381.870	2.918	40	0		GFABLM
Cc1c(NS(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)cnn1[C@H]1CCOC1	ZINC000451094535	570836418	/nfs/dbraw/zinc/83/64/18/570836418.db2.gz	ICNYEASGUKJKIP-NSHDSACASA-N	-1	2	399.856	2.614	40	0		GFABLM
Cn1c(=O)c(Sc2c(O)c3ccccc3n(C)c2=O)c([O-])c2ccccc21	ZINC000006816934	570495431	/nfs/dbraw/zinc/49/54/31/570495431.db2.gz	MVXHNVBQCLRGAF-UHFFFAOYSA-N	-1	2	380.425	2.953	40	0		GFABLM
CCc1nnc(C2=C(O)C(=Cc3cccc(OCC(=O)[O-])c3)SC2=N)s1	ZINC000135950307	570493879	/nfs/dbraw/zinc/49/38/79/570493879.db2.gz	AAPJBVAZQTZMMQ-LXPVWXOKSA-N	-1	2	389.458	2.982	40	0		GFABLM