smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1ccc(NCc2cccc(Br)c2O)cc1	ZINC000048795497	431932255	/nfs/dbraw/zinc/93/22/55/431932255.db2.gz	VCQYDLJYRRJXIA-UHFFFAOYSA-N	-2	0	322.158	3.465	50	10		DGCARL
O=S(=O)([N-]c1cc(Cl)c([O-])c(Cl)c1)c1ccccc1	ZINC000004006310	181061417	/nfs/dbraw/zinc/06/14/17/181061417.db2.gz	KFPBEVFQCXRYIR-UHFFFAOYSA-N	-2	0	318.181	3.500	50	10		DGCARL
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(C(=O)[O-])cc1	ZINC000101229110	281701451	/nfs/dbraw/zinc/70/14/51/281701451.db2.gz	RCYTWTBFGNSMQC-MJWGMMHASA-N	-2	0	322.324	3.260	50	10		DGCARL
Cc1[n-]n(-c2ccccc2C(=O)[O-])c(=O)c1N=Nc1ccccc1	ZINC000252622938	432384436	/nfs/dbraw/zinc/38/44/36/432384436.db2.gz	OGFXKWDLRDEHMI-OAHLLOKOSA-N	-2	0	322.324	3.260	50	10		DGCARL
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccc(C(=O)[O-])cc1	ZINC000102580635	431995590	/nfs/dbraw/zinc/99/55/90/431995590.db2.gz	XJUFJVQNPISTMC-LFIBNONCSA-N	-2	0	321.336	3.103	50	10		DGCARL
Cc1[n-]n(-c2ccccc2C(=O)[O-])c(=O)c1N=Nc1ccccc1	ZINC000100529964	431981936	/nfs/dbraw/zinc/98/19/36/431981936.db2.gz	OGFXKWDLRDEHMI-AMGRQBIBSA-N	-2	0	322.324	3.260	50	10		DGCARL
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(C(=O)[O-])cc1	ZINC000101229106	431984159	/nfs/dbraw/zinc/98/41/59/431984159.db2.gz	RCYTWTBFGNSMQC-AMGRQBIBSA-N	-2	0	322.324	3.260	50	10		DGCARL
O=C([O-])CCc1ccc(-c2ccc(Cl)cc2)n1CCC(=O)[O-]	ZINC000004124337	304064016	/nfs/dbraw/zinc/06/40/16/304064016.db2.gz	CEMNKMIIJIGMDQ-UHFFFAOYSA-N	-2	0	321.760	3.300	50	10		DGCARL
Cc1[n-]n(-c2ccccc2C(=O)[O-])c(=O)c1N=Nc1ccccc1	ZINC000252622937	432384595	/nfs/dbraw/zinc/38/45/95/432384595.db2.gz	OGFXKWDLRDEHMI-HNNXBMFYSA-N	-2	0	322.324	3.260	50	10		DGCARL
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1cccc(C(=O)[O-])c1	ZINC000102572226	431995174	/nfs/dbraw/zinc/99/51/74/431995174.db2.gz	RMRJNBMFMDQSGD-AMGRQBIBSA-N	-2	0	322.324	3.260	50	10		DGCARL
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccccc1C(=O)[O-]	ZINC000100049348	431980282	/nfs/dbraw/zinc/98/02/82/431980282.db2.gz	JHMOLDMNRXZOMQ-AMGRQBIBSA-N	-2	0	322.324	3.260	50	10		DGCARL
Cc1[n-]n(-c2ccccc2C(=O)[O-])c(=O)c1N=Nc1ccccc1	ZINC000008435211	431400480	/nfs/dbraw/zinc/40/04/80/431400480.db2.gz	OGFXKWDLRDEHMI-MJWGMMHASA-N	-2	0	322.324	3.260	50	10		DGCARL
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccccc1C(=O)[O-]	ZINC000100049347	431980729	/nfs/dbraw/zinc/98/07/29/431980729.db2.gz	JHMOLDMNRXZOMQ-MJWGMMHASA-N	-2	0	322.324	3.260	50	10		DGCARL
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1cccc(C(=O)[O-])c1	ZINC000012412943	431506632	/nfs/dbraw/zinc/50/66/32/431506632.db2.gz	RMRJNBMFMDQSGD-MJWGMMHASA-N	-2	0	322.324	3.260	50	10		DGCARL