smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(c1nc2cc([O-])c(O)cc2[nH]1)N1CCC(Cc2ccc(F)cc2)CC1	ZINC000036294476	205008171	/nfs/dbraw/zinc/00/81/71/205008171.db2.gz	YNLLMIQTRYSAKL-UHFFFAOYSA-N	-1	3	369.396	3.208	1	10		FGCFHM
O=C(c1nc2cc(O)c([O-])cc2[nH]1)N1CCC(Cc2ccc(F)cc2)CC1	ZINC000036294476	205008176	/nfs/dbraw/zinc/00/81/76/205008176.db2.gz	YNLLMIQTRYSAKL-UHFFFAOYSA-N	-1	3	369.396	3.208	1	10		FGCFHM
O=CN1CCN(Cc2c3cc(Cc4ccccc4)oc3ccc2[O-])CC1	ZINC000103262340	209250569	/nfs/dbraw/zinc/25/05/69/209250569.db2.gz	DHCBKVBLDHBKGW-UHFFFAOYSA-N	-1	3	350.418	3.003	1	10		FGCFHM
CO[C@]12C=C(c3ccc([O-])c4ncccc34)[C@@H]1C(=O)c1ccccc1C2=O	ZINC000096934676	209162898	/nfs/dbraw/zinc/16/28/98/209162898.db2.gz	XQMYAZMXKADSPO-XMSQKQJNSA-N	-1	3	357.365	3.418	1	10		FGCFHM
COc1cc(OC)c2c(=O)c(C)c(-c3ccc([O-])c(O)c3)oc2c1OC	ZINC000013822651	211062095	/nfs/dbraw/zinc/06/20/95/211062095.db2.gz	FYXDJSGCPMQPLO-UHFFFAOYSA-N	-1	3	358.346	3.205	1	10		FGCFHM
Nc1ccc(CC(=O)C2c3cccc([O-])c3C(=O)c3c(O)cccc32)cc1	ZINC000013862158	220098375	/nfs/dbraw/zinc/09/83/75/220098375.db2.gz	HIBAKABFMSYTTR-UHFFFAOYSA-N	-1	3	359.381	3.168	1	10		FGCFHM
COc1cc2c(=O)cc(-c3ccc([O-])c(O)c3)oc2c(C(C)=O)c1OC	ZINC000096929559	222142389	/nfs/dbraw/zinc/14/23/89/222142389.db2.gz	NZKPEOCLCJZICW-UHFFFAOYSA-N	-1	3	356.330	3.091	1	10		FGCFHM
CO[C@@]12C=C(c3ccc([O-])c4ncccc34)[C@@H]1C(=O)c1ccccc1C2=O	ZINC000096934675	222142895	/nfs/dbraw/zinc/14/28/95/222142895.db2.gz	XQMYAZMXKADSPO-GCJKJVERSA-N	-1	3	357.365	3.418	1	10		FGCFHM
Cc1cc2c(=O)c(O)c(-c3ccc([O-])c(O)c3)oc2c(N2CCCC2)c1	ZINC000028822430	204889922	/nfs/dbraw/zinc/88/99/22/204889922.db2.gz	RMLDMCRTWNEELE-UHFFFAOYSA-N	-1	3	353.374	3.485	1	10		FGCFHM
Nc1cccc(S(=O)(=O)[N-]c2ccc(O)c(-c3ccccc3O)c2)c1	ZINC000035000936	208117139	/nfs/dbraw/zinc/11/71/39/208117139.db2.gz	NPANFVHAWOBQEB-UHFFFAOYSA-N	-1	3	356.403	3.148	1	10		FGCFHM
CO[C@]12C=C(c3ccc([O-])c4ncccc34)[C@H]1C(=O)c1ccccc1C2=O	ZINC000096934678	222142308	/nfs/dbraw/zinc/14/23/08/222142308.db2.gz	XQMYAZMXKADSPO-PGRDOPGGSA-N	-1	3	357.365	3.418	1	10		FGCFHM
O=C(OCc1cc([O-])c2c(c1)C(=O)c1cccc(O)c1C2=O)c1ccccc1	ZINC000103235118	222327786	/nfs/dbraw/zinc/32/77/86/222327786.db2.gz	MSPWCCZZOGHZHE-UHFFFAOYSA-N	-1	3	374.348	3.230	1	10		FGCFHM
COc1cc(O)c2c(c1)C(=O)c1cc(OC)c(CC=C(C)C)c([O-])c1C2=O	ZINC000069482539	291070804	/nfs/dbraw/zinc/07/08/04/291070804.db2.gz	JQJKOHAQEAORRU-UHFFFAOYSA-N	-1	3	368.385	3.399	1	10	biogenic,in-vitro	FGCFHM
CC(C)C(=O)Nc1cc(NC(=O)/C=C/c2ccc(O)c(O)c2)ccc1[O-]	ZINC000096929295	222142432	/nfs/dbraw/zinc/14/24/32/222142432.db2.gz	DPYXRQRKNCJDAN-XBXARRHUSA-N	-1	3	356.378	3.050	1	10		FGCFHM