smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)c1cc2c(cc([O-])c3c(=O)c4ccccc4n(C)c23)o1	ZINC000015266816	571738527	/nfs/dbraw/zinc/73/85/27/571738527.db2.gz	GZVRDNACRGJZNW-UHFFFAOYSA-N	-1	1	307.305	3.346	1	5	endogenous,in-man	DGBFMM
COc1cc2cc3oc(C)c(C)c([O-])c-3c(=O)c2c(OC)c1	ZINC000039174911	183014988	/nfs/dbraw/zinc/01/49/88/183014988.db2.gz	FZYRENRMDAPHEM-UHFFFAOYSA-N	-1	1	300.310	3.286	1	5	biogenic	DGBFMM
C[C@H]1Oc2c(cc(O)c3oc4c([O-])cccc4c(=O)c23)C1(C)C	ZINC000015148355	571732875	/nfs/dbraw/zinc/73/28/75/571732875.db2.gz	WJPITGSTUAHZBK-MRVPVSSYSA-N	-1	1	312.321	3.416	1	5	endogenous,in-man	DGBFMM
C[C@@H]1Oc2c(cc(O)c3oc4c([O-])cccc4c(=O)c23)C1(C)C	ZINC000015148353	571732963	/nfs/dbraw/zinc/73/29/63/571732963.db2.gz	WJPITGSTUAHZBK-QMMMGPOBSA-N	-1	1	312.321	3.416	1	5	endogenous,in-man	DGBFMM
O=[N+]([O-])c1cccc(-c2nnc(-c3ccc(O)cc3[O-])s2)c1	ZINC000095588861	185381933	/nfs/dbraw/zinc/38/19/33/185381933.db2.gz	PAJJDXNZWMLNFJ-UHFFFAOYSA-N	-1	1	315.310	3.192	1	5		DGBFMM
C[C@H]1Oc2cc(O)c3c(=O)c4cccc([O-])c4oc3c2C1(C)C	ZINC000014636691	560223398	/nfs/dbraw/zinc/22/33/98/560223398.db2.gz	SPSZQWKBQUMDPB-MRVPVSSYSA-N	-1	1	312.321	3.416	1	5	in-vitro	DGBFMM
CC1(C)CCc2cc3c(=O)c4ccc([O-])cc4oc3c(O)c2O1	ZINC000096928327	185392279	/nfs/dbraw/zinc/39/22/79/185392279.db2.gz	BEYLUVYOQJUNBE-UHFFFAOYSA-N	-1	1	312.321	3.461	1	5		DGBFMM
C[C@@H]1Oc2cc(O)c3c(=O)c4cccc([O-])c4oc3c2C1(C)C	ZINC000014636689	560223417	/nfs/dbraw/zinc/22/34/17/560223417.db2.gz	SPSZQWKBQUMDPB-QMMMGPOBSA-N	-1	1	312.321	3.416	1	5	in-vitro	DGBFMM