smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(C=C2CCCC(C(=O)C(F)(F)F)=C2[O-])cc1OC	ZINC000033526523	202267056	/nfs/dbraw/zinc/26/70/56/202267056.db2.gz	DZDLDSPWBJEZJZ-FLIBITNWSA-N	-1	3	342.313	4.215	3	30		EIEFHM
COc1cc(C=C2C(=O)c3cc(Cl)c(Cl)cc3C2=O)ccc1[O-]	ZINC000026507326	202145846	/nfs/dbraw/zinc/14/58/46/202145846.db2.gz	OFZUGTYHKFAWOY-UHFFFAOYSA-N	-1	3	349.169	4.170	1	30		EIEFHM
N#Cc1ccc(C=C2c3cccc([O-])c3C(=O)c3c(O)cccc32)cc1	ZINC000027326387	202154198	/nfs/dbraw/zinc/15/41/98/202154198.db2.gz	SLKLLNQYWRTDGS-UHFFFAOYSA-N	-1	3	339.350	4.103	1	30		EIEFHM
N#Cc1c(=O)c2c[nH]ccc-2nc1-c1ccc(-c2ccccc2[O-])cc1	ZINC000073298502	203262781	/nfs/dbraw/zinc/26/27/81/203262781.db2.gz	QTRXLPZDFVMNCI-UHFFFAOYSA-N	-1	3	339.354	4.247	1	30		EIEFHM
C=C(C)COc1ccc(-c2cnc(N)nc2-c2ccccc2[O-])cc1	ZINC000040395553	213298032	/nfs/dbraw/zinc/29/80/32/213298032.db2.gz	OKRKLOLKQILVER-UHFFFAOYSA-N	-1	3	333.391	4.053	1	30		EIEFHM
CC(=O)N([O-])[C@@H](c1ccc(OCCc2ccccc2)cc1)C(C)C	ZINC000026145173	202139176	/nfs/dbraw/zinc/13/91/76/202139176.db2.gz	SWWSDWFIXPPCLG-HXUWFJFHSA-N	-1	3	327.424	4.243	1	30		EIEFHM
CCCCOC(=O)c1c([O-])csc1Nc1ccc2ccccc2c1	ZINC000101701086	219157692	/nfs/dbraw/zinc/15/76/92/219157692.db2.gz	ZRRODPZLDCOZTE-UHFFFAOYSA-N	-1	3	341.432	4.123	1	30		EIEFHM
CCCCCCCCc1ccc(C[NH2+]CCCP(=O)([O-])[O-])cc1	ZINC000036178297	213074614	/nfs/dbraw/zinc/07/46/14/213074614.db2.gz	HXDPHSXYLHIVSE-UHFFFAOYSA-N	-1	3	341.432	4.247	1	30		EIEFHM
CCCC/N=C1\C(=O)N(C)c2cccc3c([O-])c4ccccc4c1c32	ZINC000101758698	219161546	/nfs/dbraw/zinc/16/15/46/219161546.db2.gz	DLBGBJXPKUBMKV-QOCHGBHMSA-N	-1	3	332.403	4.264	1	30		EIEFHM
CNc1c(/C=N/[O-])ccc(-c2cccc(O)c2)c1-c1cccc(O)c1	ZINC000036471356	213099959	/nfs/dbraw/zinc/09/99/59/213099959.db2.gz	NSPDLDIINXEJQR-WSDLNYQXSA-N	-1	3	334.375	4.282	1	30		EIEFHM
C=CCc1cc(NC(C)=O)c([O-])c(-c2ccc(OC)c(CC=C)c2)c1	ZINC000072113756	216011223	/nfs/dbraw/zinc/01/12/23/216011223.db2.gz	KNYQXFHNRYTONS-UHFFFAOYSA-N	-1	3	337.419	4.483	1	30		EIEFHM
CCc1cc2cc(/C(=N\[O-])[C@H]3CC[C@@H](OC)CC3)ccc2nc1OC	ZINC000101001963	219113720	/nfs/dbraw/zinc/11/37/20/219113720.db2.gz	RIEWJGMERBFNAY-AEPXNKNJSA-N	-1	3	342.439	4.189	1	30		EIEFHM
CCCCCCCCCCc1ccc(Nc2cc(=O)[n-]c(=O)[nH]2)cc1	ZINC000003653591	210072001	/nfs/dbraw/zinc/07/20/01/210072001.db2.gz	OLXPBVQHJQBLNP-UHFFFAOYSA-N	-1	3	343.471	4.490	1	30		EIEFHM
C=C1OCc2c1cc(OC)c(CC=C(C)CC(=O)C=C(C)C)c2[O-]	ZINC000095911882	291004875	/nfs/dbraw/zinc/00/48/75/291004875.db2.gz	LSOHVISLXBAOJE-AWNIVKPZSA-N	-1	3	328.408	4.316	1	30	biogenic,in-vitro	EIEFHM
CCc1cc2cc(/C(=N/[O-])[C@H]3CC[C@@H](OC)CC3)ccc2nc1OC	ZINC000103019713	219248816	/nfs/dbraw/zinc/24/88/16/219248816.db2.gz	RIEWJGMERBFNAY-NILOWHQUSA-N	-1	3	342.439	4.189	1	30		EIEFHM
CNc1c(/C=N/[O-])ccc(-c2ccc(O)cc2)c1-c1ccc(O)cc1	ZINC000040620041	213359746	/nfs/dbraw/zinc/35/97/46/213359746.db2.gz	AUNSXRHKIPOKDR-WSDLNYQXSA-N	-1	3	334.375	4.282	1	30		EIEFHM
COc1cc2c3c(ccc(-c4ccccc4)c3c1[O-])C(=O)C(OC)=C2	ZINC000014885769	211770378	/nfs/dbraw/zinc/77/03/78/211770378.db2.gz	BVIDEWFIIVXACV-UHFFFAOYSA-N	-1	3	332.355	4.405	1	30		EIEFHM
C=CC(C)(C)c1cc2cc(CC=C(C)C)c([O-])c(OC)c2oc1=O	ZINC000015263544	571738462	/nfs/dbraw/zinc/73/84/62/571738462.db2.gz	YQFOLGLNDZRLBW-UHFFFAOYSA-N	-1	3	328.408	4.480	1	30	endogenous,in-man	EIEFHM