smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1c2c(oc3cc(O)cc(O)c13)-c1ccc(O)c(O)c1CO2	ZINC000014618306	560223240	/nfs/dbraw/zinc/22/32/40/560223240.db2.gz	XUFSGVREMRKLBR-UHFFFAOYSA-N	0	2	314.249	2.175	1	10	in-vitro	DECFLN
COc1cc(-c2cc(=O)c3c(O)c(O)c(O)cc3o2)ccc1O	ZINC000014760695	560225704	/nfs/dbraw/zinc/22/57/04/560225704.db2.gz	OZVBXGBZPZBKJO-UHFFFAOYSA-N	0	2	316.265	2.291	1	10	biogenic,in-vitro	DECFLN
COc1cc(O)c(O)cc1-c1coc2cc(O)cc(O)c2c1=O	ZINC000095099481	560062320	/nfs/dbraw/zinc/06/23/20/560062320.db2.gz	DIABWADIZQBKGQ-UHFFFAOYSA-N	0	2	316.265	2.291	1	10	biogenic,in-vitro	DECFLN
COc1cc(O)c(O)cc1-c1coc2cc(O)cc(=O)c-2c1O	ZINC000095099481	560062321	/nfs/dbraw/zinc/06/23/21/560062321.db2.gz	DIABWADIZQBKGQ-UHFFFAOYSA-N	0	2	316.265	2.291	1	10	biogenic,in-vitro	DECFLN
COc1c(=O)cc2occ(-c3ccc(O)c(O)c3)c(O)c-2c1O	ZINC000014645991	560223777	/nfs/dbraw/zinc/22/37/77/560223777.db2.gz	VYCWOMOGAIPFPW-UHFFFAOYSA-N	0	2	316.265	2.291	1	10	biogenic,in-vitro	DECFLN
CCc1cc(C)cc(CC)c1C1C(=O)N2CO[C@H](C)CN2C1=O	ZINC000103183052	185437061	/nfs/dbraw/zinc/43/70/61/185437061.db2.gz	JNKNQKNJFOCEND-WBMJQRKESA-N	0	2	316.401	2.165	1	10		DECFLN
CCc1cc(C)cc(CC)c1[C@@H]1C(=O)N2CO[C@H](C)CN2C1=O	ZINC000103183052	185437062	/nfs/dbraw/zinc/43/70/62/185437062.db2.gz	JNKNQKNJFOCEND-WBMJQRKESA-N	0	2	316.401	2.165	1	10		DECFLN
O=C1NC(=O)C(=Cc2ccc(-c3ccc(F)cc3O)o2)C(=O)N1	ZINC000015924675	182025219	/nfs/dbraw/zinc/02/52/19/182025219.db2.gz	DHYWKROGVBRSQF-UHFFFAOYSA-N	0	2	316.244	2.381	3	10		DECFLN
COc1c(O)c(O)c(O)c2c(=O)cc(-c3ccc(O)cc3)oc12	ZINC000040919160	183149187	/nfs/dbraw/zinc/14/91/87/183149187.db2.gz	PEOZKVMXPVPVBH-UHFFFAOYSA-N	0	2	316.265	2.291	1	10		DECFLN
COc1c(=O)c(O)c(O)c2c(O)cc(-c3ccc(O)cc3)oc1-2	ZINC000040919160	183149189	/nfs/dbraw/zinc/14/91/89/183149189.db2.gz	PEOZKVMXPVPVBH-UHFFFAOYSA-N	0	2	316.265	2.291	1	10		DECFLN
COc1c(=O)c(O)c(O)c2c(O)c(-c3ccc(O)cc3)coc1-2	ZINC000014646151	560223802	/nfs/dbraw/zinc/22/38/02/560223802.db2.gz	NHKRWDZHHWTCAH-UHFFFAOYSA-N	0	2	316.265	2.291	1	10	biogenic,in-vitro	DECFLN
O=c1cc(-c2ccc([N+](=O)[O-])cc2)oc2cc(O)c(O)c(O)c12	ZINC000073197582	191291189	/nfs/dbraw/zinc/29/11/89/191291189.db2.gz	OOQHFLXCURRCNW-UHFFFAOYSA-N	0	2	315.237	2.485	1	10		DECFLN
COc1ccc(-c2coc3cc(O)c(O)c(O)c3c2=O)cc1O	ZINC000039004853	560081970	/nfs/dbraw/zinc/08/19/70/560081970.db2.gz	UTMSPYXAMXSXRW-UHFFFAOYSA-N	0	2	316.265	2.291	1	10	biogenic,in-vitro	DECFLN
COc1ccc(-c2coc3cc(O)c(O)c(=O)c-3c2O)cc1O	ZINC000039004853	560081971	/nfs/dbraw/zinc/08/19/71/560081971.db2.gz	UTMSPYXAMXSXRW-UHFFFAOYSA-N	0	2	316.265	2.291	1	10	biogenic,in-vitro	DECFLN
COc1c(=O)c2c(O)cc(O)c(O)c2oc1-c1ccc(O)cc1	ZINC000014645186	290902252	/nfs/dbraw/zinc/90/22/52/290902252.db2.gz	GEZRDCGMQPFDMN-UHFFFAOYSA-N	0	2	316.265	2.291	1	10	biogenic,in-vitro	DECFLN
COc1c(=O)cc(O)c2c(O)cc(-c3ccc(O)c(O)c3)oc1-2	ZINC000014645263	560223633	/nfs/dbraw/zinc/22/36/33/560223633.db2.gz	FPSMUVCMXQTXND-UHFFFAOYSA-N	0	2	316.265	2.291	1	10	biogenic,in-vitro	DECFLN
O=c1cc(Oc2ccc(O)cc2)oc2cc(O)c(O)c(O)c12	ZINC000014811469	560226403	/nfs/dbraw/zinc/22/64/03/560226403.db2.gz	ABOYWHFIYLNFAE-UHFFFAOYSA-N	0	2	302.238	2.408	1	10	biogenic,in-vitro	DECFLN
Cc1cc(C)c(C2C(=O)N3CCOCCN3C2=O)c(C(C)C)c1	ZINC000103170173	185436614	/nfs/dbraw/zinc/43/66/14/185436614.db2.gz	HWWWCRJYTDTLLW-UHFFFAOYSA-N	0	2	316.401	2.126	1	10		DECFLN