smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C/C(=N/[O-])c1ccc(C)cc1OCc1cc(Br)cs1	ZINC000104334389	219374947	/nfs/dbraw/zinc/37/49/47/219374947.db2.gz	MKXKQPYRLQTOSJ-YBEGLDIGSA-N	-1	1	340.242	4.596	10	30		EJEEMM
CCCCCCCc1c([O-])c2cccc3c4c(n(c32)c1=O)CCCC4	ZINC000100294993	563982499	/nfs/dbraw/zinc/98/24/99/563982499.db2.gz	ZJFBENCGWUZQCF-UHFFFAOYSA-N	-1	1	337.463	4.988	10	30		EJEEMM
C/C(=N/[O-])c1cc(C)ccc1OCc1sccc1Br	ZINC000104185383	219357529	/nfs/dbraw/zinc/35/75/29/219357529.db2.gz	QILIHYQCJJUHJG-YBEGLDIGSA-N	-1	1	340.242	4.596	10	30		EJEEMM
COc1c(/C=C\C(=O)c2ccc([O-])cc2)ccc(O)c1CC=C(C)C	ZINC000095912836	291012344	/nfs/dbraw/zinc/01/23/44/291012344.db2.gz	WBDNTJSRHDSPSR-GHXNOFRVSA-N	-1	1	338.403	4.511	10	30	biogenic,in-vitro	EJEEMM
C=C(C)[C@H](C)c1cc(/C=C/C(=O)c2ccc([O-])cc2)c(OC)cc1O	ZINC000038342865	213207456	/nfs/dbraw/zinc/20/74/56/213207456.db2.gz	SWPKMTGYQGHLJS-RNVIBTMRSA-N	-1	1	338.403	4.682	10	30		EJEEMM
O=C(/C=C/c1ccccc1)c1cc(OCc2ccccc2)ccc1[O-]	ZINC000022065609	202078457	/nfs/dbraw/zinc/07/84/57/202078457.db2.gz	LYKZDRDBDNAWGK-ACCUITESSA-N	-1	1	330.383	4.867	10	30	in-vitro	EJEEMM
[O-]c1c(Cl)cc(C=NN=c2[nH]c3ccccc3s2)cc1Cl	ZINC000103105586	219255624	/nfs/dbraw/zinc/25/56/24/219255624.db2.gz	UKNRBTLCZIUIKV-IDUWFGFVSA-N	-1	1	338.219	4.755	10	30		EJEEMM
C=CCn1c(COc2ccc(-c3ccc(C)cc3)cc2)n[n-]c1=S	ZINC000026469175	201060332	/nfs/dbraw/zinc/06/03/32/201060332.db2.gz	XVFUMMNYKIJRLV-UHFFFAOYSA-N	-1	1	337.448	4.681	10	30		EJEEMM
O=C1c2ccccc2C(=O)C(C2CCC(c3ccccc3)CC2)=C1[O-]	ZINC000022056063	212274113	/nfs/dbraw/zinc/27/41/13/212274113.db2.gz	CIEUSZBTKKXKPA-UHFFFAOYSA-N	-1	1	332.399	4.852	10	30	in-vitro	EJEEMM
C=CCn1c(CSCc2cccc3ccccc32)n[n-]c1=S	ZINC000038536758	519190514	/nfs/dbraw/zinc/19/05/14/519190514.db2.gz	AYPMTOCBKHXHDB-UHFFFAOYSA-N	-1	1	327.478	4.713	10	30		EJEEMM