smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1c(=O)[n-]c(-c2ccsc2)cc1-c1ccccc1[O-]	ZINC000045321177	175359088	/nfs/dbraw/zinc/35/90/88/175359088.db2.gz	AFUPHXBFJOGFIF-UHFFFAOYSA-N	-2	3	294.335	3.348	1	30		CGEFHL
[O-]/N=C/c1c(O)ccc(-c2ccc([O-])c(F)c2)c1Cl	ZINC000071294751	176112150	/nfs/dbraw/zinc/11/21/50/176112150.db2.gz	CWBFECUIDZXHBY-OMCISZLKSA-N	-2	3	281.670	3.365	1	30	in-vitro	CGEFHL
Cc1ccc(/C=C/C(=O)c2ccc([O-])c(O)c2[O-])s1	ZINC000040410107	174254431	/nfs/dbraw/zinc/25/44/31/174254431.db2.gz	XSYDHOQAJRPEKW-GQCTYLIASA-N	-2	3	276.313	3.069	1	30		CGEFHL
C=CCc1c([O-])c2c([O-])c3cc(OC)ccc3oc-2cc1=O	ZINC000095485919	560062000	/nfs/dbraw/zinc/06/20/00/560062000.db2.gz	FRBYDWUPZOHHTN-UHFFFAOYSA-N	-2	3	298.294	3.095	1	30	biogenic,in-vitro	CGEFHL
C=C(C(=O)c1ccc([O-])cc1)C(C)C(=O)c1ccc([O-])cc1	ZINC000015222315	290860017	/nfs/dbraw/zinc/86/00/17/290860017.db2.gz	MEZXYSSUYJRMBP-QXMHVHEDSA-N	-2	3	296.322	3.500	1	30	biogenic,in-vitro	CGEFHL
COc1cc([O-])cc([O-])c1C(=O)/C=C/c1ccc(F)cc1	ZINC000045339125	175361151	/nfs/dbraw/zinc/36/11/51/175361151.db2.gz	ROKRINPAINFXQK-QPJJXVBHSA-N	-2	3	288.274	3.142	1	30		CGEFHL
COc1cc([O-])cc([O-])c1C(=O)/C=C/c1ccc(C)cc1	ZINC000045354666	175361978	/nfs/dbraw/zinc/36/19/78/175361978.db2.gz	AKMLJGLXRDIUIP-BQYQJAHWSA-N	-2	3	284.311	3.311	1	30		CGEFHL
COc1cc([O-])cc([O-])c1C(=O)/C=C/c1ccccc1F	ZINC000045339127	175361169	/nfs/dbraw/zinc/36/11/69/175361169.db2.gz	RVFUULXFSQJTTA-VOTSOKGWSA-N	-2	3	288.274	3.142	1	30		CGEFHL
COc1ccc(/C=C/C(=O)c2ccc([O-])cc2)c([O-])c1	ZINC000213818556	560044161	/nfs/dbraw/zinc/04/41/61/560044161.db2.gz	LOUBKMCKRZABQN-WEVVVXLNSA-N	-2	3	270.284	3.003	1	30	biogenic	CGEFHL
C=C(C(=O)c1ccc([O-])cc1)C(C)C(=O)c1ccc([O-])cc1	ZINC000100077415	290860014	/nfs/dbraw/zinc/86/00/14/290860014.db2.gz	MEZXYSSUYJRMBP-VAWYXSNFSA-N	-2	3	296.322	3.500	1	30	biogenic,in-vitro	CGEFHL