smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1cc2[nH]nc(Cl)c2c(Cl)c1	ZINC000014983719	350228644	/nfs/dbraw/zinc/22/86/44/350228644.db2.gz	KPIGSQZATGPGPF-UHFFFAOYSA-N	-1	1	232.026	2.778	10	5		BFBEMM
O=c1ccc2c(cc([O-])c3ccccc32)o1	ZINC000040834092	183000768	/nfs/dbraw/zinc/00/07/68/183000768.db2.gz	HHHNPLNCNVWLKG-UHFFFAOYSA-N	-1	1	212.204	2.652	10	5		BFBEMM
O=c1oc2cc([O-])ccc2c2cccc(F)c12	ZINC000205872654	345761136	/nfs/dbraw/zinc/76/11/36/345761136.db2.gz	XHPUPEAUKDRSDX-UHFFFAOYSA-N	-1	1	230.194	2.791	10	5		BFBEMM
O=c1oc2cc([O-])ccc2c2cc(F)ccc12	ZINC000205872605	345761193	/nfs/dbraw/zinc/76/11/93/345761193.db2.gz	QCSZAMAUQUEUJL-UHFFFAOYSA-N	-1	1	230.194	2.791	10	5		BFBEMM
Cc1cc2sc3ccccc3c([O-])c-2c(=O)n1	ZINC000584617115	358282282	/nfs/dbraw/zinc/28/22/82/358282282.db2.gz	JOAQKJPZYAYVHW-UHFFFAOYSA-N	-1	1	243.287	2.824	10	5		BFBEMM
COc1ccc2oc3c([O-])cccc3c(=O)c2c1	ZINC000015119043	385697534	/nfs/dbraw/zinc/69/75/34/385697534.db2.gz	HEOWOJWZMKMTLX-UHFFFAOYSA-N	-1	1	242.230	2.660	10	5		BFBEMM
COc1cc2c(cc1[O-])oc1ccccc1c2=O	ZINC000005999208	175019050	/nfs/dbraw/zinc/01/90/50/175019050.db2.gz	VVZBRQKEVJGCCA-UHFFFAOYSA-N	-1	1	242.230	2.660	10	5	biogenic,in-vitro	BFBEMM
COc1cccc2c(=O)c3ccc([O-])cc3oc12	ZINC000028373262	175298537	/nfs/dbraw/zinc/29/85/37/175298537.db2.gz	FBYCHEZAAUZQDB-UHFFFAOYSA-N	-1	1	242.230	2.660	10	5	biogenic,in-vitro	BFBEMM
O=c1oc2cccc([O-])c2c2ccccc12	ZINC000139589901	351155789	/nfs/dbraw/zinc/15/57/89/351155789.db2.gz	MGXLMJCKQLNNET-UHFFFAOYSA-N	-1	1	212.204	2.652	10	5		BFBEMM
Cc1ccc2oc3cc([O-])ccc3c(=O)c2c1	ZINC000005619003	188103281	/nfs/dbraw/zinc/10/32/81/188103281.db2.gz	JIXRMWNSKAVBJB-UHFFFAOYSA-N	-1	1	226.231	2.960	10	5		BFBEMM
O=c1c2ccccc2sc2cc([O-])cc(O)c12	ZINC000034445371	345833549	/nfs/dbraw/zinc/83/35/49/345833549.db2.gz	TVQVSLHCXYDJAJ-UHFFFAOYSA-N	-1	1	244.271	2.826	10	5		BFBEMM
Cc1cc([O-])c2c(c1)oc(=O)c1ccccc12	ZINC000196487325	347904689	/nfs/dbraw/zinc/90/46/89/347904689.db2.gz	YNMDBUWVCVNSNV-UHFFFAOYSA-N	-1	1	226.231	2.960	10	5		BFBEMM
O=[N+]([O-])c1ccc([O-])c(C2CCCC2)c1	ZINC000031333341	182937430	/nfs/dbraw/zinc/93/74/30/182937430.db2.gz	ABDCPGIQMBSVEO-UHFFFAOYSA-N	-1	1	207.229	2.958	10	5		BFBEMM
COc1cccc2oc3c([O-])cccc3c(=O)c12	ZINC000006485079	175308525	/nfs/dbraw/zinc/30/85/25/175308525.db2.gz	GCAMSSLNXVYMKS-UHFFFAOYSA-N	-1	1	242.230	2.660	10	5	biogenic,in-vitro	BFBEMM
O=[N+]([O-])c1ccc([O-])c(OCc2ccccc2)c1	ZINC000071618099	384225494	/nfs/dbraw/zinc/22/54/94/384225494.db2.gz	STAAMFWKDIAVEO-UHFFFAOYSA-N	-1	1	245.234	2.879	10	5		BFBEMM
COc1ccc2c(=O)oc3cc([O-])ccc3c2c1	ZINC000575399419	387000939	/nfs/dbraw/zinc/00/09/39/387000939.db2.gz	NLTJGFZKNBGIFA-UHFFFAOYSA-N	-1	1	242.230	2.660	10	5		BFBEMM
Cc1c(-c2cccc([O-])c2F)cncc1[N+](=O)[O-]	ZINC000725270380	538102185	/nfs/dbraw/zinc/10/21/85/538102185.db2.gz	JLMVDRFGNDPHOT-UHFFFAOYSA-N	-1	1	248.213	2.810	10	5		BFBEMM