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)c1cc2c(cc1[O-])[C@@]1(C)CCCC(C)(C)C1=CC2=O	ZINC000001711826	560184241	/nfs/dbraw/zinc/18/42/41/560184241.db2.gz	HUMGJQLBBAYPNM-HXUWFJFHSA-N	-1	3	298.426	5.106	1	30	biogenic,in-vitro	CKEFHM
CCCCCCCCc1ccc(Oc2ccccc2)c([O-])c1	ZINC000014961116	581095301	/nfs/dbraw/zinc/09/53/01/581095301.db2.gz	JOWYBLIPWAMIHM-UHFFFAOYSA-N	-1	3	298.426	6.088	1	30	in-vivo	CKEFHM
Cc1cc(/N=C/c2ccc(Cl)cc2)c(C(C)C)cc1[O-]	ZINC000095593280	185013996	/nfs/dbraw/zinc/01/39/96/185013996.db2.gz	RAFYSQOWEZJICP-VXLYETTFSA-N	-1	3	287.790	5.228	1	30		CKEFHM
CCCc1ccc(/C=N/c2cc(C)c([O-])cc2C(C)C)cc1	ZINC000095593848	185014109	/nfs/dbraw/zinc/01/41/09/185014109.db2.gz	UDELGHVRJUOIQO-FYJGNVAPSA-N	-1	3	295.426	5.527	1	30		CKEFHM
CCc1ccc(/C=N/c2cc(C)c([O-])cc2C(C)C)cc1	ZINC000095594451	185013719	/nfs/dbraw/zinc/01/37/19/185013719.db2.gz	PTPZNYOKNTWDIC-UDWIEESQSA-N	-1	3	281.399	5.137	1	30		CKEFHM
Cc1cc(/N=C/c2ccc(C(C)C)cc2)c(C(C)C)cc1[O-]	ZINC000095595246	185013655	/nfs/dbraw/zinc/01/36/55/185013655.db2.gz	CTTBMTXNABBDJO-CIAFOILYSA-N	-1	3	295.426	5.698	1	30		CKEFHM
CCCc1ccc(/C=N/c2cc(C(C)C)c([O-])cc2C)cc1	ZINC000095596161	185015736	/nfs/dbraw/zinc/01/57/36/185015736.db2.gz	NJVSOEAMYISKBT-FYJGNVAPSA-N	-1	3	295.426	5.527	1	30		CKEFHM
CCc1ccc(/C=N/c2cc(C(C)C)c([O-])cc2C)cc1	ZINC000095597313	185015068	/nfs/dbraw/zinc/01/50/68/185015068.db2.gz	DMFTXCZGXSLVRH-UDWIEESQSA-N	-1	3	281.399	5.137	1	30		CKEFHM
CCCCCCC[C@@H]1CC([O-])=C(CCCCCC)C(=O)O1	ZINC000101573818	185747918	/nfs/dbraw/zinc/74/79/18/185747918.db2.gz	PZWUINGHLHNXOM-OAHLLOKOSA-N	-1	3	296.451	5.445	1	30		CKEFHM