smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCCCc1c(C)nc(SCC(=O)[O-])[n-]c1=O	ZINC000002873815	431275520	/nfs/dbraw/zinc/27/55/20/431275520.db2.gz	KSNWUGVSVGNGIB-UHFFFAOYSA-N	-2	1	312.435	3.158	50	30		DGEAML
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1cccc(C(=O)[O-])c1	ZINC000016607431	182053187	/nfs/dbraw/zinc/05/31/87/182053187.db2.gz	YLFXKKSVOKZFPN-ZVCOJXFSSA-N	-2	1	321.336	3.126	50	30		DGEAML
O=C1c2ccc([O-])cc2CC/C1=C/c1ccc([O-])c([N+](=O)[O-])c1	ZINC000098009334	431975827	/nfs/dbraw/zinc/97/58/27/431975827.db2.gz	ZIOYXASAGHCGPT-GHXNOFRVSA-N	-2	1	311.293	3.219	50	30		DGEAML
COc1cc([N+](=O)[O-])cc(/C=N/c2cc(Cl)ccc2[O-])c1[O-]	ZINC000002756230	431267668	/nfs/dbraw/zinc/26/76/68/431267668.db2.gz	XKSLSHARIBSTHQ-FRKPEAEDSA-N	-2	1	322.704	3.419	50	30		DGEAML
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1cccc(C(=O)[O-])c1	ZINC000100944422	431983289	/nfs/dbraw/zinc/98/32/89/431983289.db2.gz	YLFXKKSVOKZFPN-YDDPGSGASA-N	-2	1	321.336	3.126	50	30		DGEAML
O=C1c2ccc([O-])cc2CC/C1=C\c1ccc([O-])c([N+](=O)[O-])c1	ZINC000058166345	431995837	/nfs/dbraw/zinc/99/58/37/431995837.db2.gz	ZIOYXASAGHCGPT-KPKJPENVSA-N	-2	1	311.293	3.219	50	30		DGEAML
O=C([O-])CCOc1cccc(/C=C/C(=O)c2ccc([O-])cc2)c1	ZINC000058344398	184106997	/nfs/dbraw/zinc/10/69/97/184106997.db2.gz	UMHBLXQTPXTXLV-RUDMXATFSA-N	-2	1	312.321	3.142	50	30		DGEAML
CC1=Nc2ccccc2C1=NNc1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000100891896	431983136	/nfs/dbraw/zinc/98/31/36/431983136.db2.gz	YCKLQNWEBXTQFJ-HKWRFOASSA-N	-2	1	323.308	3.005	50	30		DGEAML
CC(=Nc1ccc2ccccc2c1)c1c([O-])nc([O-])sc1=O	ZINC000253534743	432399230	/nfs/dbraw/zinc/39/92/30/432399230.db2.gz	UZZCNLDAOHEEGI-UHFFFAOYSA-N	-2	1	312.350	3.208	50	30		DGEAML