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([O-])c1ccc(/C=C/C(=O)c2ccc([O-])cc2)cc1	ZINC000006338454	170193490	/nfs/dbraw/zinc/19/34/90/170193490.db2.gz	DGDPABAKVCEIJE-XCVCLJGOSA-N	-2	1	268.268	2.987	50	30		CFEAML
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccccc1[O-]	ZINC000100005586	375612116	/nfs/dbraw/zinc/61/21/16/375612116.db2.gz	ISARRSHHZPBZFI-OBGWFSINSA-N	-2	1	294.314	2.583	50	30		CFEAML
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccccc1[O-]	ZINC000100430693	375622462	/nfs/dbraw/zinc/62/24/62/375622462.db2.gz	ISARRSHHZPBZFI-SDXDJHTJSA-N	-2	1	294.314	2.583	50	30		CFEAML
O=C1c2ccc([O-])cc2O/C1=C/c1ccc([O-])c([N+](=O)[O-])c1	ZINC000016755120	304720945	/nfs/dbraw/zinc/72/09/45/304720945.db2.gz	VXXYXZZVKUPRSD-MKMNVTDBSA-N	-2	1	299.238	2.622	50	30		CFEAML
O=C([O-])c1ccc(COc2ccccc2/C=N/[O-])cc1	ZINC000000567401	371640408	/nfs/dbraw/zinc/64/04/08/371640408.db2.gz	YKKLUCYHSGZYCQ-CXUHLZMHSA-N	-2	1	271.272	2.772	50	30		CFEAML
CC(C=Cc1ccccc1)=NNc1n[n-]c(=S)[nH]1	ZINC000254616288	383469623	/nfs/dbraw/zinc/46/96/23/383469623.db2.gz	MOLRGHSEWGUZHE-ZOGOLRRHSA-N	-2	1	259.338	2.968	50	30		CFEAML
O=C([O-])Cc1ccc(/C(=N\[O-])c2cccs2)s1	ZINC000022590996	171393502	/nfs/dbraw/zinc/39/35/02/171393502.db2.gz	DUINQMGMVVHVGH-QXMHVHEDSA-N	-2	1	267.331	2.663	50	30		CFEAML
O=C([O-])c1ccc(/C=C2\Oc3cc([O-])ccc3C2=O)cc1	ZINC000016755517	304231881	/nfs/dbraw/zinc/23/18/81/304231881.db2.gz	ITXOBXSGTZJLAO-AUWJEWJLSA-N	-2	1	282.251	2.707	50	30		CFEAML
N#Cc1ccc(-c2ccc(C(=O)[O-])c(F)c2)cc1[O-]	ZINC000065341557	303186895	/nfs/dbraw/zinc/18/68/95/303186895.db2.gz	FUQIYGVUFPSIRX-UHFFFAOYSA-N	-2	1	257.220	2.768	50	30		CFEAML