smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)=CCCc1c(O)cc2oc3cc(O)c(O)cc3c(=O)c2c1O	ZINC000095485971	290998377	/nfs/dbraw/zinc/99/83/77/290998377.db2.gz	ZJGKGOKRPNKFBK-UHFFFAOYSA-N	0	2	342.347	3.667	1	10	biogenic,in-vitro	EHCFLN
CC(C)COc1cc(O)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c12	ZINC000064448000	202813317	/nfs/dbraw/zinc/81/33/17/202813317.db2.gz	GVDJNRKPWYRFAZ-UHFFFAOYSA-N	0	2	342.347	3.612	1	10		EHCFLN
O=C([O-])c1ccc2c(c1)/C(=C\Cn1cc[nH+]c1)c1ccccc1CO2	ZINC000096209998	218686669	/nfs/dbraw/zinc/68/66/69/218686669.db2.gz	JXRWSKFOTOHQDH-IDUWFGFVSA-N	0	2	332.359	3.606	1	10		EHCFLN
NC1=Nn2c(nc3c(c2=O)CCCC3)C1=NNc1ccc(Cl)cc1	ZINC000102748110	219227414	/nfs/dbraw/zinc/22/74/14/219227414.db2.gz	AHAXNFPMQFNVNG-MRCUWXFGSA-N	0	2	342.790	3.965	1	10		EHCFLN
Nc1[nH]n2c(nc3c(c2=O)CCCC3)c1N=Nc1ccc(Cl)cc1	ZINC000102748110	219227416	/nfs/dbraw/zinc/22/74/16/219227416.db2.gz	AHAXNFPMQFNVNG-MRCUWXFGSA-N	0	2	342.790	3.965	1	10		EHCFLN
NC1=Nn2c(nc3c(c2=O)CCCC3)C1=NNc1ccc(Cl)cc1	ZINC000101830094	219165996	/nfs/dbraw/zinc/16/59/96/219165996.db2.gz	AHAXNFPMQFNVNG-QZQOTICOSA-N	0	2	342.790	3.965	1	10		EHCFLN
Nc1[nH]n2c(nc3c(c2=O)CCCC3)c1N=Nc1ccc(Cl)cc1	ZINC000101830094	219165997	/nfs/dbraw/zinc/16/59/97/219165997.db2.gz	AHAXNFPMQFNVNG-QZQOTICOSA-N	0	2	342.790	3.965	1	10		EHCFLN