smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCCCCCCCCCCC(=O)NC[C@H](O)CP(=O)([O-])[O-]	ZINC000043628283	205083199	/nfs/dbraw/zinc/08/31/99/205083199.db2.gz	FFOKDXWZQOOQIU-SFHVURJKSA-N	-2	3	393.505	4.123	1	30		GIEFHL
CC(C)[C@@H](C(=O)[O-])C1=C([O-])C(=Cc2ccc(Br)cc2)SC1=S	ZINC000049784213	205130366	/nfs/dbraw/zinc/13/03/66/205130366.db2.gz	XRZYVSLYHSCKMQ-CUOXCHRPSA-N	-2	3	399.331	4.406	1	30		GIEFHL
C=C(C)[C@H](O)CC/C(C)=C/Cc1c(O)cc([O-])c(C(=O)c2ccccc2)c1[O-]	ZINC000015120691	206261496	/nfs/dbraw/zinc/26/14/96/206261496.db2.gz	SQVLUKXMKYWAOR-IKFRKZOMSA-N	-2	3	382.456	4.240	1	30		GIEFHL
COc1cc(/C=C/C(=O)c2ccc3c(c2[O-])C=CC(C)(C)O3)cc(OC)c1[O-]	ZINC000084739050	208097224	/nfs/dbraw/zinc/09/72/24/208097224.db2.gz	YMUMPJDPYYXGAM-FNORWQNLSA-N	-2	3	382.412	4.195	1	30		GIEFHL
C=C(C)[C@@H]1Cc2c(c([O-])cc3oc4cc(O)c(CC=C(C)C)c(=O)c-4c([O-])c23)O1	ZINC000062225493	206279877	/nfs/dbraw/zinc/27/98/77/206279877.db2.gz	SEGCUVJLNASWOR-INIZCTEOSA-N	-2	3	394.423	4.451	1	30	in-vivo	GIEFHL
C=C(C)[C@@H]1Cc2c(c([O-])cc3oc4cc([O-])c(CC=C(C)C)c(O)c4c(=O)c23)O1	ZINC000062225493	206279880	/nfs/dbraw/zinc/27/98/80/206279880.db2.gz	SEGCUVJLNASWOR-INIZCTEOSA-N	-2	3	394.423	4.451	1	30	in-vivo	GIEFHL
C=CC(C)(C)c1c([O-])cc([O-])c2c1oc(-c1ccc(OC)cc1)c(OC)c2=O	ZINC000028472890	209179350	/nfs/dbraw/zinc/17/93/50/209179350.db2.gz	RVASISYJOGEBHB-UHFFFAOYSA-N	-2	3	382.412	4.352	1	30		GIEFHL
C=C(C)C[C@@H](O)C/C(C)=C/COc1cc([O-])c(C(=O)c2ccccc2)c([O-])c1	ZINC000014775924	291135061	/nfs/dbraw/zinc/13/50/61/291135061.db2.gz	QDLLLVHQQOHZHP-QJKHOBJASA-N	-2	3	382.456	4.371	1	30	biogenic,in-vitro	GIEFHL
C=C(CCC=C(C)C)[C@H](O)Cc1c(O)cc([O-])c(C(=O)c2ccccc2)c1[O-]	ZINC000015120689	209192206	/nfs/dbraw/zinc/19/22/06/209192206.db2.gz	VGLKZKNLQQGYHR-GOSISDBHSA-N	-2	3	382.456	4.240	1	30		GIEFHL
O=C([O-])c1cc(Br)cc(C(=O)/C=C/c2ccccc2Cl)c1[O-]	ZINC000066103034	211001519	/nfs/dbraw/zinc/00/15/19/211001519.db2.gz	YMNXSYYXRNDTQM-AATRIKPKSA-N	-2	3	381.609	4.402	1	30		GIEFHL
COc1cc([O-])c(CC=C(C)C)c([O-])c1C(=O)/C=C/c1ccc(OC(C)=O)cc1	ZINC000049808411	291138146	/nfs/dbraw/zinc/13/81/46/291138146.db2.gz	SETJXTDZSDYIJJ-XYOKQWHBSA-N	-2	3	396.439	4.437	1	30	biogenic,in-vitro	GIEFHL
O=S(=O)([O-])c1cc([O-])c(/N=C/c2c([O-])ccc3ccccc32)c2ccccc21	ZINC000013864585	221293135	/nfs/dbraw/zinc/29/31/35/221293135.db2.gz	DONNZBSCDYKMLS-WSDLNYQXSA-N	-3	3	393.420	4.402	1	30		GIEFHL
C=CCc1cc(C(=O)/C=C/c2cc(Br)c([O-])cc2OC)ccc1[O-]	ZINC000071340390	222183523	/nfs/dbraw/zinc/18/35/23/222183523.db2.gz	WDJBMBVBTXJZLZ-SOFGYWHQSA-N	-2	3	389.245	4.494	1	30		GIEFHL
Cc1cc(C)cc(/C=C/C(=O)c2cc(Br)cc(C(=O)[O-])c2[O-])c1	ZINC000066077118	222136290	/nfs/dbraw/zinc/13/62/90/222136290.db2.gz	NUELFFSBQVQCIE-ONEGZZNKSA-N	-2	3	375.218	4.366	1	30		GIEFHL
N#Cc1ccccc1COc1cc(=O)c2c([O-])c([O-])c(-c3ccccc3)oc-2c1	ZINC000064548409	222072996	/nfs/dbraw/zinc/07/29/96/222072996.db2.gz	QJENBLAIQKISIC-UHFFFAOYSA-N	-2	3	385.375	4.322	1	30		GIEFHL
CC(C)[C@@H](C(=O)[O-])C1=C([O-])C(=Cc2ccc(Br)cc2)SC1=S	ZINC000049784215	222001912	/nfs/dbraw/zinc/00/19/12/222001912.db2.gz	XRZYVSLYHSCKMQ-MENMGGHXSA-N	-2	3	399.331	4.406	1	30		GIEFHL
C=C(C)[C@H]1Cc2c(c([O-])cc3oc4cc(O)c(CC=C(C)C)c(=O)c-4c([O-])c23)O1	ZINC000058591788	222054644	/nfs/dbraw/zinc/05/46/44/222054644.db2.gz	SEGCUVJLNASWOR-MRXNPFEDSA-N	-2	3	394.423	4.451	1	30	in-vivo	GIEFHL
C=C(C)[C@H]1Cc2c(c([O-])cc3oc4cc([O-])c(CC=C(C)C)c(O)c4c(=O)c23)O1	ZINC000058591788	222054648	/nfs/dbraw/zinc/05/46/48/222054648.db2.gz	SEGCUVJLNASWOR-MRXNPFEDSA-N	-2	3	394.423	4.451	1	30	in-vivo	GIEFHL
N#Cc1ccccc1COc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccccc1	ZINC000064527746	222072605	/nfs/dbraw/zinc/07/26/05/222072605.db2.gz	PABIRVMPUWNWJY-UHFFFAOYSA-N	-2	3	385.375	4.322	1	30		GIEFHL
O=C([O-])c1cc(Br)cc(C(=O)/C=C/c2ccc(Cl)cc2)c1[O-]	ZINC000066074348	222136712	/nfs/dbraw/zinc/13/67/12/222136712.db2.gz	IJHQQPXOILOVAP-ZZXKWVIFSA-N	-2	3	381.609	4.402	1	30		GIEFHL
N#Cc1cccc(COc2c(=O)c3c([O-])cc([O-])cc3oc2-c2ccccc2)c1	ZINC000064527350	222071786	/nfs/dbraw/zinc/07/17/86/222071786.db2.gz	IDMMCQLNDXIKBL-UHFFFAOYSA-N	-2	3	385.375	4.322	1	30		GIEFHL