smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)C[C@H](c1cc2cccc(C)c2[nH]c1=O)c1c(O)c(C(C)=O)c([O-])c2c(C)cc(=O)oc21	ZINC000218020397	569882422	/nfs/dbraw/zinc/88/24/22/569882422.db2.gz	GOUBNUOOTICJNV-OAHLLOKOSA-N	-1	0	477.469	3.560	50	70	biogenic	JHIARM
CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@@H]2c1cc2cccc3c2n(c1=O)CCC3	ZINC000218023204	569882425	/nfs/dbraw/zinc/88/24/25/569882425.db2.gz	KVOFUASWYCLKIG-MRXNPFEDSA-N	-1	0	471.465	3.712	50	70	biogenic	JHIARM
COC(=O)C[C@@H](c1ccc(O)c(Cl)c1)c1c(O)cc(C)n(CCc2ccc(O)cc2)c1=O	ZINC000217606923	569880497	/nfs/dbraw/zinc/88/04/97/569880497.db2.gz	IJXDSVOIVZSFMK-SFHVURJKSA-N	-1	0	457.910	3.865	50	70	biogenic	JHIARM
COC(=O)C[C@@H](c1cc(Br)cc2c1OCOC2)c1c([O-])c2ccccc2oc1=O	ZINC000217780132	569881484	/nfs/dbraw/zinc/88/14/84/569881484.db2.gz	GALNQXSVZJBXOS-AWEZNQCLSA-N	-1	0	461.264	3.823	50	70	biogenic	JHIARM
COC(=O)C[C@H](c1ccc(OC)c(COc2ccc(NC(C)=O)cc2)c1)c1c([O-])cc(C)oc1=O	ZINC000218028541	569882427	/nfs/dbraw/zinc/88/24/27/569882427.db2.gz	MXROOXPRSZRZRG-OAQYLSRUSA-N	-1	0	481.501	3.895	50	70	biogenic	JHIARM
COC(=O)C[C@H](c1ccc(O)c(Cl)c1)c1c(O)cc(C)n(CCc2ccc(O)cc2)c1=O	ZINC000217606844	569880503	/nfs/dbraw/zinc/88/05/03/569880503.db2.gz	IJXDSVOIVZSFMK-GOSISDBHSA-N	-1	0	457.910	3.865	50	70	biogenic	JHIARM
COC(=O)C[C@H](c1cc(Br)cc2c1OCOC2)c1c([O-])c2ccccc2oc1=O	ZINC000217780047	569881521	/nfs/dbraw/zinc/88/15/21/569881521.db2.gz	GALNQXSVZJBXOS-CQSZACIVSA-N	-1	0	461.264	3.823	50	70	biogenic	JHIARM
COc1ccc(-c2n[nH]cc2[C@H]2CC(=O)Oc3c(C(C)=O)c([O-])c4c(C)cc(=O)oc4c32)cc1	ZINC000218024896	569882451	/nfs/dbraw/zinc/88/24/51/569882451.db2.gz	IZEDUFLVZPZAFN-OAHLLOKOSA-N	-1	0	460.442	3.849	50	70	biogenic	JHIARM
CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@H]2c1cc2cccc3c2n(c1=O)CCC3	ZINC000218023288	569882476	/nfs/dbraw/zinc/88/24/76/569882476.db2.gz	KVOFUASWYCLKIG-INIZCTEOSA-N	-1	0	471.465	3.712	50	70	biogenic	JHIARM
COC(=O)C[C@@H](c1ccc(OC)c(COc2ccc(NC(C)=O)cc2)c1)c1c([O-])cc(C)oc1=O	ZINC000218028628	569882445	/nfs/dbraw/zinc/88/24/45/569882445.db2.gz	MXROOXPRSZRZRG-NRFANRHFSA-N	-1	0	481.501	3.895	50	70	biogenic	JHIARM
COc1ccc(-c2n[nH]cc2[C@@H]2CC(=O)Oc3c(C(C)=O)c([O-])c4c(C)cc(=O)oc4c32)cc1	ZINC000218024813	569882411	/nfs/dbraw/zinc/88/24/11/569882411.db2.gz	IZEDUFLVZPZAFN-HNNXBMFYSA-N	-1	0	460.442	3.849	50	70	biogenic	JHIARM
COC(=O)C[C@@H](c1cc2cccc(C)c2[nH]c1=O)c1c(O)c(C(C)=O)c([O-])c2c(C)cc(=O)oc21	ZINC000218020481	569882473	/nfs/dbraw/zinc/88/24/73/569882473.db2.gz	GOUBNUOOTICJNV-HNNXBMFYSA-N	-1	0	477.469	3.560	50	70	biogenic	JHIARM