smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)c1ccc2c(c1[O-])[C@@H](c1ccc(F)cc1Cl)CC(=O)O2	ZINC000218342650	534883503	/nfs/dbraw/zinc/88/35/03/534883503.db2.gz	BXJVWRMVMNAEST-GFCCVEGCSA-N	-1	3	334.730	3.828	50	70		EHIAHM
CC(=O)c1ccc2c(c1[O-])[C@H](c1cccc(OC(F)F)c1)CC(=O)O2	ZINC000218413846	534883808	/nfs/dbraw/zinc/88/38/08/534883808.db2.gz	IYFOUERVHUPCJR-ZDUSSCGKSA-N	-1	3	348.301	3.637	50	70		EHIAHM
CCc1cc(=O)[n-]c(CN[C@H](c2ccccc2)c2ccc(C)cc2)n1	ZINC000160544214	564082000	/nfs/dbraw/zinc/08/20/00/564082000.db2.gz	CSFSUUKBMSTRPC-OAQYLSRUSA-N	-1	3	333.435	3.932	50	70		EHIAHM
CC(=O)c1ccc2c(c1[O-])[C@H](c1ccc(F)cc1Cl)CC(=O)O2	ZINC000218342569	534883971	/nfs/dbraw/zinc/88/39/71/534883971.db2.gz	BXJVWRMVMNAEST-LBPRGKRZSA-N	-1	3	334.730	3.828	50	70		EHIAHM
CSc1ccc([C@@H]2CC(=O)Oc3ccc(C(C)=O)c([O-])c32)cc1	ZINC000218308880	241312342	/nfs/dbraw/zinc/31/23/42/241312342.db2.gz	WYWXTMABPFZMGR-AWEZNQCLSA-N	-1	3	328.389	3.758	50	70		EHIAHM
CC(=O)c1ccc2c(c1[O-])[C@@H](c1ccc(F)c(Cl)c1)CC(=O)O2	ZINC000218141801	534883481	/nfs/dbraw/zinc/88/34/81/534883481.db2.gz	QHSLUIZWBDFYAO-LLVKDONJSA-N	-1	3	334.730	3.828	50	70		EHIAHM
CC(=O)c1ccc2c(c1[O-])[C@@H](c1cccc(OC(F)F)c1)CC(=O)O2	ZINC000218413932	534883675	/nfs/dbraw/zinc/88/36/75/534883675.db2.gz	IYFOUERVHUPCJR-CYBMUJFWSA-N	-1	3	348.301	3.637	50	70		EHIAHM
CC(=O)c1ccc2c(c1[O-])[C@H](c1ccc(OC(C)C)cc1)CC(=O)O2	ZINC000217764504	534883669	/nfs/dbraw/zinc/88/36/69/534883669.db2.gz	LRBPDYZZHMWDKW-INIZCTEOSA-N	-1	3	340.375	3.823	50	70	biogenic	EHIAHM
CCc1cc(=O)[n-]c(CN[C@@H](c2ccccc2)c2ccc(C)cc2)n1	ZINC000160544109	564081978	/nfs/dbraw/zinc/08/19/78/564081978.db2.gz	CSFSUUKBMSTRPC-NRFANRHFSA-N	-1	3	333.435	3.932	50	70		EHIAHM
CC(=O)c1ccc2c(c1[O-])[C@H](c1ccc3ncccc3c1)CC(=O)O2	ZINC000217785147	534884080	/nfs/dbraw/zinc/88/40/80/534884080.db2.gz	SRYXOFDJHVWJBQ-HNNXBMFYSA-N	-1	3	333.343	3.584	50	70	biogenic	EHIAHM
CSc1ccc([C@H]2CC(=O)Oc3ccc(C(C)=O)c([O-])c32)cc1	ZINC000218308926	241312654	/nfs/dbraw/zinc/31/26/54/241312654.db2.gz	WYWXTMABPFZMGR-CQSZACIVSA-N	-1	3	328.389	3.758	50	70		EHIAHM
CC(=O)c1ccc2c(c1[O-])[C@@H](c1ccc(OC(C)C)cc1)CC(=O)O2	ZINC000217764575	534883689	/nfs/dbraw/zinc/88/36/89/534883689.db2.gz	LRBPDYZZHMWDKW-MRXNPFEDSA-N	-1	3	340.375	3.823	50	70	biogenic	EHIAHM
CC(=O)c1ccc2c(c1[O-])[C@H](c1ccc(F)c(Cl)c1)CC(=O)O2	ZINC000218141724	534884056	/nfs/dbraw/zinc/88/40/56/534884056.db2.gz	QHSLUIZWBDFYAO-NSHDSACASA-N	-1	3	334.730	3.828	50	70		EHIAHM
CC(=O)c1ccc2c(c1[O-])[C@@H](c1ccc3ncccc3c1)CC(=O)O2	ZINC000217785225	534883801	/nfs/dbraw/zinc/88/38/01/534883801.db2.gz	SRYXOFDJHVWJBQ-OAHLLOKOSA-N	-1	3	333.343	3.584	50	70	biogenic	EHIAHM