smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(-c2oc3c(OC)c(OC)c(O)c([O-])c3c(=O)c2O)ccc1O	ZINC000040424377	205065884	/nfs/dbraw/zinc/06/58/84/205065884.db2.gz	CTKFEOUGUQQUND-UHFFFAOYSA-N	-1	1	376.317	2.308	1	10		GECFMM
C[C@H]1O[C@@H](c2cc3oc(-c4ccccc4)cc([O-])c-3c(=O)c2O)C[C@@H](O)[C@@H]1O	ZINC000031161115	206086616	/nfs/dbraw/zinc/08/66/16/206086616.db2.gz	QCQOZKQMMJTMPI-FIILERQRSA-N	-1	1	384.384	2.443	1	10		GECFMM
C[C@H]1O[C@@H](c2cc3oc(-c4ccccc4)cc(=O)c3c([O-])c2O)C[C@@H](O)[C@@H]1O	ZINC000031161115	206086621	/nfs/dbraw/zinc/08/66/21/206086621.db2.gz	QCQOZKQMMJTMPI-FIILERQRSA-N	-1	1	384.384	2.443	1	10		GECFMM
C[C@@H]1O[C@@H](c2cc3oc(-c4ccccc4)cc([O-])c-3c(=O)c2O)C[C@@H](O)[C@@H]1O	ZINC000031161111	206086713	/nfs/dbraw/zinc/08/67/13/206086713.db2.gz	QCQOZKQMMJTMPI-GPDVZAFTSA-N	-1	1	384.384	2.443	1	10		GECFMM
C[C@@H]1O[C@@H](c2cc3oc(-c4ccccc4)cc(=O)c3c([O-])c2O)C[C@@H](O)[C@@H]1O	ZINC000031161111	206086719	/nfs/dbraw/zinc/08/67/19/206086719.db2.gz	QCQOZKQMMJTMPI-GPDVZAFTSA-N	-1	1	384.384	2.443	1	10		GECFMM
Cn1c2ccc([O-])c(CN3CCOCC3)c2nc1C[S@@](=O)c1ccccc1	ZINC000064549445	222073851	/nfs/dbraw/zinc/07/38/51/222073851.db2.gz	MSYUVXKTMDHSED-MHZLTWQESA-N	-1	1	385.489	2.419	1	10		GECFMM
Cn1c2ccc([O-])c(CN3CCOCC3)c2nc1C[S@](=O)c1ccccc1	ZINC000064549446	222074147	/nfs/dbraw/zinc/07/41/47/222074147.db2.gz	MSYUVXKTMDHSED-HHHXNRCGSA-N	-1	1	385.489	2.419	1	10		GECFMM
COc1ccc(-c2oc3cc(OC)c(O)c([O-])c3c(=O)c2OC)c(O)c1O	ZINC000015271428	560230064	/nfs/dbraw/zinc/23/00/64/560230064.db2.gz	GNHURUAFLJVHLD-UHFFFAOYSA-N	-1	1	376.317	2.308	1	10	biogenic,in-vitro	GECFMM
Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)[N-]C(=S)NC3=O)cc2)nc1	ZINC000073224346	222268733	/nfs/dbraw/zinc/26/87/33/222268733.db2.gz	JNTGJGJJBIDVQG-UHFFFAOYSA-N	-1	1	396.428	2.162	1	10		GECFMM
Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=S)NC3=O)cc2)nc1	ZINC000073224346	222268736	/nfs/dbraw/zinc/26/87/36/222268736.db2.gz	JNTGJGJJBIDVQG-UHFFFAOYSA-N	-1	1	396.428	2.162	1	10		GECFMM
Cc1ccc(NC(=O)COc2ccc(C=C3C(=O)[N-]C(=S)NC3=O)cc2)nc1	ZINC000073224346	222268740	/nfs/dbraw/zinc/26/87/40/222268740.db2.gz	JNTGJGJJBIDVQG-UHFFFAOYSA-N	-1	1	396.428	2.162	1	10		GECFMM
COc1ccc(-c2oc3c(OC)c(OC)c(O)c([O-])c3c(=O)c2OC)cc1N	ZINC000066251162	222138759	/nfs/dbraw/zinc/13/87/59/222138759.db2.gz	LBLZVWVKDFMTMA-UHFFFAOYSA-N	-1	1	389.360	2.488	1	10		GECFMM
C[C@@]1(CCc2ccc(N)cc2)Oc2cc3oc(CO)cc([O-])c-3c(=O)c2C[C@H]1O	ZINC000085593584	291116757	/nfs/dbraw/zinc/11/67/57/291116757.db2.gz	AWTAMBVBMLRCCL-KNQAVFIVSA-N	-1	1	397.427	2.260	1	10	biogenic,in-vitro	GECFMM
C[C@@]1(CCc2ccc(N)cc2)Oc2cc3oc(CO)cc(=O)c3c([O-])c2C[C@H]1O	ZINC000085593584	291116760	/nfs/dbraw/zinc/11/67/60/291116760.db2.gz	AWTAMBVBMLRCCL-KNQAVFIVSA-N	-1	1	397.427	2.260	1	10	biogenic,in-vitro	GECFMM