smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#C/C(=C\c1cccc([O-])c1)C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000013338288	264018192	/nfs/dbraw/zinc/01/81/92/264018192.db2.gz	BQJFTFQCCRRAGJ-MDWZMJQESA-N	-2	3	308.293	2.636	20	50		DFGDHL
O=C([O-])c1ccccc1N[N-]C(=O)C(F)(F)c1ccccc1F	ZINC000833783721	605724783	/nfs/dbraw/zinc/72/47/83/605724783.db2.gz	GHYRBTZLJUSGTO-UHFFFAOYSA-N	-2	3	324.258	2.759	20	50		DFGDHL
CC(=NNC(=O)c1ccc([O-])cc1)[C@H](C)CCCCC(=O)[O-]	ZINC000814692005	604632732	/nfs/dbraw/zinc/63/27/32/604632732.db2.gz	WENJOFDQXOWYJD-LLVKDONJSA-N	-2	3	306.362	2.779	20	50		DFGDHL
CC(=NNC(=O)c1ccccc1[O-])[C@@H](C)CCCCC(=O)[O-]	ZINC000814694926	604633150	/nfs/dbraw/zinc/63/31/50/604633150.db2.gz	DZICVZROLZVPDE-NSHDSACASA-N	-2	3	306.362	2.779	20	50		DFGDHL
CC(=NNC(=O)c1ccc([O-])cc1)[C@@H](C)CCCCC(=O)[O-]	ZINC000814692006	604632890	/nfs/dbraw/zinc/63/28/90/604632890.db2.gz	WENJOFDQXOWYJD-NSHDSACASA-N	-2	3	306.362	2.779	20	50		DFGDHL
CC(=NNC(=O)c1ccc(C)cc1[O-])c1ccc(C(=O)[O-])cc1	ZINC000825804558	604638756	/nfs/dbraw/zinc/63/87/56/604638756.db2.gz	MCTREZNCNRFHQF-UHFFFAOYSA-N	-2	3	312.325	2.553	20	50		DFGDHL
N#C/C(=C\c1ccc([O-])cc1)C(=O)OCc1ccc(C(=O)[O-])cc1	ZINC000819084674	601141364	/nfs/dbraw/zinc/14/13/64/601141364.db2.gz	YZDISDFTAYCKPO-OQLLNIDSSA-N	-2	3	323.304	2.741	20	50		DFGDHL
N#C/C(=C/c1ccc([O-])cc1)C(=O)Nc1ccccc1C(=O)[O-]	ZINC000490563251	269942093	/nfs/dbraw/zinc/94/20/93/269942093.db2.gz	KRGGVQONHPCKCB-XFXZXTDPSA-N	-2	3	308.293	2.636	20	50		DFGDHL
CC(=O)c1ccc([O-])c(NC(=O)C(C#N)=Cc2ccc([O-])cc2)c1	ZINC000491163883	266846485	/nfs/dbraw/zinc/84/64/85/266846485.db2.gz	YRIFCOWDMWRLDX-RIYZIHGNSA-N	-2	3	322.320	2.846	20	50		DFGDHL
N#C/C(=C/c1ccc([O-])cc1)C(=O)OCc1cccc(C(=O)[O-])c1	ZINC000833064032	601141729	/nfs/dbraw/zinc/14/17/29/601141729.db2.gz	PBGWLXFSWFCDGJ-NVNXTCNLSA-N	-2	3	323.304	2.741	20	50		DFGDHL
N#C/C(=C\c1ccc([O-])cc1)C(=O)Nc1ccccc1C(=O)[O-]	ZINC000013345006	264018043	/nfs/dbraw/zinc/01/80/43/264018043.db2.gz	KRGGVQONHPCKCB-FMIVXFBMSA-N	-2	3	308.293	2.636	20	50		DFGDHL
N#C/C(=C/c1ccc([O-])cc1)C(=O)OCc1ccc(C(=O)[O-])cc1	ZINC000819084673	601141298	/nfs/dbraw/zinc/14/12/98/601141298.db2.gz	YZDISDFTAYCKPO-DHDCSXOGSA-N	-2	3	323.304	2.741	20	50		DFGDHL
COc1ccc(-c2ccc(C(=O)[N-]NC(=O)[O-])c(F)c2)c(F)c1	ZINC000738082405	602491116	/nfs/dbraw/zinc/49/11/16/602491116.db2.gz	JKBDYIFFPWNFGC-UHFFFAOYSA-N	-2	3	322.267	2.553	20	50		DFGDHL
O=C([O-])c1ccccc1N[N-]C(=O)C(F)(F)c1ccc(F)cc1	ZINC000833783761	605722539	/nfs/dbraw/zinc/72/25/39/605722539.db2.gz	NACHLFULNJWSSH-UHFFFAOYSA-N	-2	3	324.258	2.759	20	50		DFGDHL
N#C/C(=C\c1ccc([O-])cc1)C(=O)OCc1cccc(C(=O)[O-])c1	ZINC000833064033	601141688	/nfs/dbraw/zinc/14/16/88/601141688.db2.gz	PBGWLXFSWFCDGJ-OVCLIPMQSA-N	-2	3	323.304	2.741	20	50		DFGDHL
CC(=NNC(=O)c1ccccc1[O-])[C@H](C)CCCCC(=O)[O-]	ZINC000814694925	604632987	/nfs/dbraw/zinc/63/29/87/604632987.db2.gz	DZICVZROLZVPDE-LLVKDONJSA-N	-2	3	306.362	2.779	20	50		DFGDHL