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)(C)c1ccc([O-])c(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])c1	ZINC000004991609	210352238	/nfs/dbraw/zinc/35/22/38/210352238.db2.gz	ZHRYJOAQUNYQDX-DJKKODMXSA-N	-2	3	348.786	4.708	50	30		EJEAHL
Cc1ccc2nc(-c3cc(/N=C\c4ccccc4[O-])ccc3[O-])oc2c1	ZINC000000217887	563829455	/nfs/dbraw/zinc/82/94/55/563829455.db2.gz	YDLJWMBIYXQQQQ-UUYOSTAYSA-N	-2	3	344.370	4.965	50	30		EJEAHL
[O-]/N=C(\CCCCC/C(=N/[O-])c1ccc(F)cc1)c1ccc(F)cc1	ZINC000013764168	258056335	/nfs/dbraw/zinc/05/63/35/258056335.db2.gz	BPTXERYOMRDLST-URMAKSPSSA-N	-2	3	346.377	4.972	50	30		EJEAHL
CCc1ccc([O-])c(/N=C/c2cc(C)c(C)c(Br)c2[O-])c1	ZINC000000225360	563988899	/nfs/dbraw/zinc/98/88/99/563988899.db2.gz	VPAJSFYLJLGEGZ-DJKKODMXSA-N	-2	3	348.240	4.790	50	30		EJEAHL
[O-]c1ccc2ccccc2c1/C=N/N=C/c1c([O-])ccc2ccccc21	ZINC000001718863	563406844	/nfs/dbraw/zinc/40/68/44/563406844.db2.gz	SYRBOMODLUADBZ-RNIAWFEPSA-N	-2	3	340.382	4.857	50	30		EJEAHL
CCCCCCCCCCN[C@@H](c1ccccc1)P(=O)([O-])[O-]	ZINC000100706063	563994986	/nfs/dbraw/zinc/99/49/86/563994986.db2.gz	JRUCEIRKFMFRKI-QGZVFWFLSA-N	-2	3	327.405	4.593	50	30		EJEAHL
[O-]c1ccccc1/C=N/c1ccc(-c2nc3ccccc3o2)c([O-])c1	ZINC000003118211	564006099	/nfs/dbraw/zinc/00/60/99/564006099.db2.gz	NDFCFBQYSTUGFF-CIAFOILYSA-N	-2	3	330.343	4.657	50	30		EJEAHL
[O-]c1ccc2ccccc2c1C=NN=Cc1c([O-])ccc2ccccc21	ZINC000254523623	564116681	/nfs/dbraw/zinc/11/66/81/564116681.db2.gz	SYRBOMODLUADBZ-UHFFFAOYSA-N	-2	3	340.382	4.857	50	30		EJEAHL
Cc1ccc(/N=C/c2cc(Br)cc(Cl)c2[O-])c([O-])c1	ZINC000000061788	209395714	/nfs/dbraw/zinc/39/57/14/209395714.db2.gz	HEFGKQZJDOSGEV-REZTVBANSA-N	-2	3	340.604	4.573	50	30		EJEAHL
Cc1cc(Br)c([O-])c(/C=N/c2cc(Cl)ccc2[O-])c1	ZINC000103753986	219322671	/nfs/dbraw/zinc/32/26/71/219322671.db2.gz	COMOADLCDWOFKF-REZTVBANSA-N	-2	3	340.604	4.573	50	30		EJEAHL
CCCCCCCCCCN[C@H](c1ccccc1)P(=O)([O-])[O-]	ZINC000100706065	563994991	/nfs/dbraw/zinc/99/49/91/563994991.db2.gz	JRUCEIRKFMFRKI-KRWDZBQOSA-N	-2	3	327.405	4.593	50	30		EJEAHL
CC[C@@H](C)c1ccc([O-])c(N=Cc2cc([N+](=O)[O-])cc(C)c2[O-])c1	ZINC000252623053	564122926	/nfs/dbraw/zinc/12/29/26/564122926.db2.gz	OIXZAJTWMCBLDU-LLVKDONJSA-N	-2	3	328.368	4.579	50	30		EJEAHL
Cc1cccc2oc(-c3cc(/N=C/c4ccccc4[O-])ccc3[O-])nc21	ZINC000000226531	563988955	/nfs/dbraw/zinc/98/89/55/563988955.db2.gz	MLQNTCHVWIJDTK-WSDLNYQXSA-N	-2	3	344.370	4.965	50	30	biogenic	EJEAHL
CC[C@H](C)c1ccc([O-])c(N=Cc2cc([N+](=O)[O-])cc(C)c2[O-])c1	ZINC000252623054	564122906	/nfs/dbraw/zinc/12/29/06/564122906.db2.gz	OIXZAJTWMCBLDU-NSHDSACASA-N	-2	3	328.368	4.579	50	30		EJEAHL
Cc1ccc([O-])c(/N=C/c2cc(C)c(C)c(Br)c2[O-])c1	ZINC000008556628	564165701	/nfs/dbraw/zinc/16/57/01/564165701.db2.gz	UNUYWNOALOLSFY-QGMBQPNBSA-N	-2	3	334.213	4.536	50	30		EJEAHL
Cc1cccc([O-])c1/N=C/c1cc(Cl)cc(Br)c1[O-]	ZINC000000059994	209394385	/nfs/dbraw/zinc/39/43/85/209394385.db2.gz	GEYQWAARPQQBCY-REZTVBANSA-N	-2	3	340.604	4.573	50	30		EJEAHL
Cc1ccc2oc(-c3cc(/N=C/c4ccccc4[O-])ccc3[O-])nc2c1	ZINC000003066478	563631863	/nfs/dbraw/zinc/63/18/63/563631863.db2.gz	MBOCPQVOPRLSHA-WSDLNYQXSA-N	-2	3	344.370	4.965	50	30		EJEAHL
CC(C)c1ccc(-c2cc(-c3ccccc3[O-])[n-]c(=O)c2C#N)cc1	ZINC000044604845	564027039	/nfs/dbraw/zinc/02/70/39/564027039.db2.gz	SUGKWPIGJRTMIZ-UHFFFAOYSA-N	-2	3	330.387	4.822	50	30		EJEAHL
Cc1cc(Br)c([O-])c(C=Nc2cc(Cl)ccc2[O-])c1	ZINC000252597055	564121112	/nfs/dbraw/zinc/12/11/12/564121112.db2.gz	COMOADLCDWOFKF-UHFFFAOYSA-N	-2	3	340.604	4.573	50	30		EJEAHL
Cc1cccc([O-])c1/N=C/c1cc(Br)cc(Cl)c1[O-]	ZINC000000061815	209396163	/nfs/dbraw/zinc/39/61/63/209396163.db2.gz	XJWAFJUWTDDRAD-REZTVBANSA-N	-2	3	340.604	4.573	50	30		EJEAHL