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(c1ccc(-c2ccc([O-])c(Cl)c2)cc1)c1cccc(O)c1	ZINC000082153527	192362309	/nfs/dbraw/zinc/36/23/09/192362309.db2.gz	KHDREIFFVIZQAM-UHFFFAOYSA-N	-1	1	324.763	4.649	1	0		DJAFMM
COc1cc([O-])cc(C/C=C(\C)CCC=C(C)C)c1C(C)=O	ZINC000015120564	574413796	/nfs/dbraw/zinc/41/37/96/574413796.db2.gz	JUCDMGAOGQOSAG-NTEUORMPSA-N	-1	1	302.414	4.839	1	0	endogenous,in-man	DJAFMM
O=C1[N-]C(=S)SC1=Cc1csc2ccc(Cl)cc12	ZINC000084669629	192453051	/nfs/dbraw/zinc/45/30/51/192453051.db2.gz	UJPBBAQDZRGIFI-KMKOMSMNSA-N	-1	1	311.840	4.884	1	0		DJAFMM
CCc1cc(=O)oc2cc(Oc3ccc(Cl)cc3[O-])ccc12	ZINC000021263129	182270007	/nfs/dbraw/zinc/27/00/07/182270007.db2.gz	DLJFLRQDOOKMOE-UHFFFAOYSA-N	-1	1	316.740	4.507	1	0		DJAFMM
CCCCCc1cc([O-])c2cc(Cc3ccccc3)c(=O)oc2c1	ZINC000095577499	185380758	/nfs/dbraw/zinc/38/07/58/185380758.db2.gz	JDDBODGIBAEVFY-UHFFFAOYSA-N	-1	1	322.404	4.822	1	0		DJAFMM
O=c1oc2c(c([O-])c1[C@H](c1ccccc1)C1CC1)CCCCCC2	ZINC000100712882	581101615	/nfs/dbraw/zinc/10/16/15/581101615.db2.gz	KJZFBVIJZBENEN-GOSISDBHSA-N	-1	1	324.420	4.546	1	0		DJAFMM
CCc1cc(=O)oc2ccc(Oc3ccc(Cl)cc3[O-])cc12	ZINC000021263123	182270483	/nfs/dbraw/zinc/27/04/83/182270483.db2.gz	MJUVRDAMKFDZHT-UHFFFAOYSA-N	-1	1	316.740	4.507	1	0		DJAFMM
CC[C@@H](c1ccc(-c2ccc([O-])c(Cl)c2)cc1)n1ccnc1	ZINC000042989302	183326105	/nfs/dbraw/zinc/32/61/05/183326105.db2.gz	IZQNXPIWJTTZEN-KRWDZBQOSA-N	-1	1	312.800	4.909	1	0		DJAFMM
CCCCCCO[C@@H](c1cccc2ccccc21)[P@](=O)([O-])O	ZINC000040394367	183060994	/nfs/dbraw/zinc/06/09/94/183060994.db2.gz	XWPYKDFTZZTIGJ-QGZVFWFLSA-N	-1	1	322.341	4.613	1	0		DJAFMM
CCCCCCO[C@H](c1cccc2ccccc21)[P@](=O)([O-])O	ZINC000040394368	183060690	/nfs/dbraw/zinc/06/06/90/183060690.db2.gz	XWPYKDFTZZTIGJ-KRWDZBQOSA-N	-1	1	322.341	4.613	1	0		DJAFMM
CC[C@H](c1ccc(-c2ccc([O-])c(Cl)c2)cc1)n1ccnc1	ZINC000042989304	183326214	/nfs/dbraw/zinc/32/62/14/183326214.db2.gz	IZQNXPIWJTTZEN-QGZVFWFLSA-N	-1	1	312.800	4.909	1	0		DJAFMM
CC1(C)CCC(C)(C)c2cc(C(=O)c3ccccc3)c([O-])cc21	ZINC000043063282	183333928	/nfs/dbraw/zinc/33/39/28/183333928.db2.gz	DPXVRKLEVRRTBW-UHFFFAOYSA-N	-1	1	308.421	4.972	1	0		DJAFMM
O=c1oc2c(c([O-])c1[C@@H](c1ccccc1)C1CC1)CCCCCC2	ZINC000100712885	581101456	/nfs/dbraw/zinc/10/14/56/581101456.db2.gz	KJZFBVIJZBENEN-SFHVURJKSA-N	-1	1	324.420	4.546	1	0		DJAFMM