smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nc(-c2ccc(P(=O)([O-])[O-])o2)c(CC(C)C)s1	ZINC000066101654	184389996	/nfs/dbraw/zinc/38/99/96/184389996.db2.gz	DCDMCCKVTDICCM-UHFFFAOYSA-N	-2	0	301.304	2.713	1	0		DFAFRL
CO[C@]12c3ccccc3-c3ccccc3[C@H]1[C@H](C(=O)[O-])[C@H]2C(=O)[O-]	ZINC000016958095	182066381	/nfs/dbraw/zinc/06/63/81/182066381.db2.gz	ASGRTYKWASRDOG-IUVQAAGXSA-N	-2	0	324.332	2.708	1	0		DFAFRL
O=C([O-])c1ccc(/C=C/c2ccc(O)c(C(=O)[O-])c2)cc1O	ZINC000040845144	183141204	/nfs/dbraw/zinc/14/12/04/183141204.db2.gz	ADOBRESLNOQZTQ-OWOJBTEDSA-N	-2	0	300.266	2.665	1	0		DFAFRL
CO[C@@]12c3ccccc3-c3ccccc3[C@H]1[C@@H](C(=O)[O-])[C@@H]2C(=O)[O-]	ZINC000105502703	194107341	/nfs/dbraw/zinc/10/73/41/194107341.db2.gz	ASGRTYKWASRDOG-OLMMMNRUSA-N	-2	0	324.332	2.708	1	0		DFAFRL
O=C([O-])c1ccc2[nH]c(-c3cc4ccc([O-])cc4oc3=O)nc2c1	ZINC000004370967	181103543	/nfs/dbraw/zinc/10/35/43/181103543.db2.gz	BTZWQRDXXRSNHO-UHFFFAOYSA-N	-2	0	322.276	2.740	1	0		DFAFRL
Cn1c2ccc(Oc3ccccc3)cc2c([O-])c(C(=O)[O-])c1=O	ZINC000040867176	183144606	/nfs/dbraw/zinc/14/46/06/183144606.db2.gz	JTEHEYWXHYJVNR-UHFFFAOYSA-N	-2	0	311.293	2.735	1	0		DFAFRL
O=C([O-])c1ccc(Nc2nc3ccccc3nc2C(=O)[O-])cc1	ZINC000001855919	180899364	/nfs/dbraw/zinc/89/93/64/180899364.db2.gz	LWQATOCZIYNKOK-UHFFFAOYSA-N	-2	0	309.281	2.770	1	0		DFAFRL
CO[C@]12c3ccccc3-c3ccccc3[C@H]1[C@@H](C(=O)[O-])[C@H]2C(=O)[O-]	ZINC000005824311	181287201	/nfs/dbraw/zinc/28/72/01/181287201.db2.gz	ASGRTYKWASRDOG-PASDCYSWSA-N	-2	0	324.332	2.708	1	0		DFAFRL
CCc1nc(-c2ccc(P(=O)([O-])[O-])o2)c(CC(C)C)s1	ZINC000066101958	184389549	/nfs/dbraw/zinc/38/95/49/184389549.db2.gz	JOFOHLDOXMLGST-UHFFFAOYSA-N	-2	0	315.331	2.967	1	0		DFAFRL
O=C([O-])c1ccccc1Nc1c(C(=O)[O-])cccc1C(=O)[O-]	ZINC000095775703	304271003	/nfs/dbraw/zinc/27/10/03/304271003.db2.gz	WRNAFLRCIVPKNY-UHFFFAOYSA-N	-3	0	301.254	2.525	2	0		DFAFRL
CCCCC/C(C)=C/CO[P@@](=O)([O-])OP(=O)([O-])[O-]	ZINC000040651485	183114494	/nfs/dbraw/zinc/11/44/94/183114494.db2.gz	LLVVYUSZQNRGKM-VQHVLOKHSA-N	-3	0	302.200	2.739	1	0		DFAFRL
O=C([O-])CCc1c(C(=O)[O-])[nH]c2cccc(Br)c21	ZINC000103297409	185445376	/nfs/dbraw/zinc/44/53/76/185445376.db2.gz	IYQYMJSPJGTPKN-UHFFFAOYSA-N	-2	0	312.119	2.646	1	0		DFAFRL
CO[C@@]12c3ccccc3-c3ccccc3[C@@H]1[C@@H](C(=O)[O-])[C@@H]2C(=O)[O-]	ZINC000105502700	194107769	/nfs/dbraw/zinc/10/77/69/194107769.db2.gz	ASGRTYKWASRDOG-NNFUDEMPSA-N	-2	0	324.332	2.708	1	0		DFAFRL
CCCOC(=O)N=c1[n-]nc(-c2ccc(C(=O)[O-])cc2)s1	ZINC000084730433	192463265	/nfs/dbraw/zinc/46/32/65/192463265.db2.gz	IQEADNPONBCXRS-UHFFFAOYSA-N	-2	0	307.331	2.862	1	0		DFAFRL
Cc1sc([N-]S(=O)(=O)c2ccc(C)cc2)cc1C(=O)[O-]	ZINC000003881286	560191223	/nfs/dbraw/zinc/19/12/23/560191223.db2.gz	TUOXKCZHQVZSQB-UHFFFAOYSA-N	-2	0	311.384	2.864	1	0	in-vitro	DFAFRL
O=C([O-])c1cc(C(=O)[O-])n(Cc2ccc(Cl)cc2Cl)n1	ZINC000004808502	181154573	/nfs/dbraw/zinc/15/45/73/181154573.db2.gz	FIUGGBBCGGFVRL-UHFFFAOYSA-N	-2	0	315.112	2.635	1	0	in-vitro	DFAFRL
O=C([O-])Cc1ccc(Oc2nc3ccccc3nc2C(=O)[O-])cc1	ZINC000006584303	181357044	/nfs/dbraw/zinc/35/70/44/181357044.db2.gz	ZIZCJUGHKARBLM-UHFFFAOYSA-N	-2	0	324.292	2.747	1	0		DFAFRL
CO[C@@]12c3ccccc3-c3ccccc3[C@H]1[C@H](C(=O)[O-])[C@H]2C(=O)[O-]	ZINC000017215167	182079942	/nfs/dbraw/zinc/07/99/42/182079942.db2.gz	ASGRTYKWASRDOG-FPXQBCRKSA-N	-2	0	324.332	2.708	1	0		DFAFRL