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=C\C(=O)c2ccc([O-])cc2)cc1COc1ccc(F)cc1	ZINC000033414274	523436239	/nfs/dbraw/zinc/43/62/39/523436239.db2.gz	RNJCYYCHKKMZQP-OIXVIMQBSA-N	-1	1	378.399	5.015	10	30		GKEEMM
C=CC(C)(C)c1cc2c([O-])c3c(c(C(C)(C)C=C)c2oc1=O)OC(C)(C)C=C3	ZINC000014927453	221318960	/nfs/dbraw/zinc/31/89/60/221318960.db2.gz	LMEKIDFKWUPZGE-UHFFFAOYSA-N	-1	1	380.484	5.610	10	30	biogenic,in-vitro	GKEEMM
Cc1cccc(Cl)c1COc1ccc(C=N[N-]c2nc3ccccc3o2)o1	ZINC000020291589	524478887	/nfs/dbraw/zinc/47/88/87/524478887.db2.gz	ONZZYAWRBHTFTH-SSDVNMTOSA-N	-1	1	381.819	5.408	10	30		GKEEMM
COc1ccc(/C=C\C(=O)c2ccc([O-])cc2)cc1COc1cccc(C)c1C	ZINC000033607329	523435371	/nfs/dbraw/zinc/43/53/71/523435371.db2.gz	QSNSYONOAUIYGL-QPEQYQDCSA-N	-1	1	388.463	5.493	10	30		GKEEMM
Cc1ccc(N=Cc2c([O-])c3ccccc3n(-c3ccccc3)c2=O)cc1Cl	ZINC000102781398	524914784	/nfs/dbraw/zinc/91/47/84/524914784.db2.gz	OUCIDWJSYYJAFG-XMHGGMMESA-N	-1	1	388.854	5.505	10	30		GKEEMM
COc1cc(/C=N/c2ccc(Nc3ccccc3)cc2)cc(Br)c1[O-]	ZINC000001215951	570931706	/nfs/dbraw/zinc/93/17/06/570931706.db2.gz	DTNZJTFWHBMVJP-LPYMAVHISA-N	-1	1	397.272	5.658	10	30		GKEEMM