smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[O-]c1ccc(/C=N/c2ccccc2/N=C/c2ccc([O-])cc2)cc1	ZINC000059457229	184138901	/nfs/dbraw/zinc/13/89/01/184138901.db2.gz	OIKUWXTZBMCQSJ-JFMUQQRKSA-N	-2	3	316.360	4.599	50	30		DJEAHL
Cc1cc([O-])c(/N=C/c2cc(Cl)cc(Cl)c2[O-])cc1C	ZINC000000224030	563579203	/nfs/dbraw/zinc/57/92/03/563579203.db2.gz	WAHDKGRUKZFKRW-CNHKJKLMSA-N	-2	3	310.180	4.772	50	30		DJEAHL
[O-]c1ccccc1/C=N/c1ccc(/N=C/c2ccccc2[O-])cc1	ZINC000016891020	182062212	/nfs/dbraw/zinc/06/22/12/182062212.db2.gz	CJTQTLHLELHKEM-JFMUQQRKSA-N	-2	3	316.360	4.599	50	30		DJEAHL
[O-]c1ccccc1N=Cc1ccc(C=Nc2ccccc2[O-])cc1	ZINC000254765743	563784945	/nfs/dbraw/zinc/78/49/45/563784945.db2.gz	VVMRPNQOQNNHGI-UHFFFAOYSA-N	-2	3	316.360	4.599	50	30		DJEAHL
CCc1ccc([O-])c(/N=C/c2cc(Cl)cc(Cl)c2[O-])c1	ZINC000000224002	563579545	/nfs/dbraw/zinc/57/95/45/563579545.db2.gz	CQSDCWINAYHZPI-QGMBQPNBSA-N	-2	3	310.180	4.718	50	30		DJEAHL
[O-]c1ccccc1/C=N/c1ccccc1/N=C/c1ccccc1[O-]	ZINC000018177229	182096589	/nfs/dbraw/zinc/09/65/89/182096589.db2.gz	HXFYGSOGECBSOY-JFMUQQRKSA-N	-2	3	316.360	4.599	50	30		DJEAHL
[O-]c1cccc(/N=C/c2ccc(/C=N/c3cccc([O-])c3)cc2)c1	ZINC000001512034	563846780	/nfs/dbraw/zinc/84/67/80/563846780.db2.gz	HFCQUMYVNXZYDL-JFMUQQRKSA-N	-2	3	316.360	4.599	50	30		DJEAHL
CC(C)(C)c1cc(Cl)c([O-])c(/N=C/c2ccccc2[O-])c1	ZINC000001953805	563886127	/nfs/dbraw/zinc/88/61/27/563886127.db2.gz	KFBVMXGVKKLWKW-VXLYETTFSA-N	-2	3	303.789	4.799	50	30		DJEAHL
[O-]c1cccc2sc(/N=C/c3c([O-])ccc4ccccc43)nc21	ZINC000000138939	563572558	/nfs/dbraw/zinc/57/25/58/563572558.db2.gz	DTEBBJIEEYVVNJ-VXLYETTFSA-N	-2	3	320.373	4.611	50	30		DJEAHL
[O-]c1ccc(/C=N/c2ccc(/N=C/c3ccc([O-])cc3)cc2)cc1	ZINC000000272563	563878735	/nfs/dbraw/zinc/87/87/35/563878735.db2.gz	MKWLHZZHWQHHGA-JFMUQQRKSA-N	-2	3	316.360	4.599	50	30		DJEAHL
Cc1cc([O-])c(/C=N/c2cc(Cl)ccc2[O-])c(C)c1Cl	ZINC000000059435	563515911	/nfs/dbraw/zinc/51/59/11/563515911.db2.gz	JKLMQQLAMWBLRD-CNHKJKLMSA-N	-2	3	310.180	4.772	50	30		DJEAHL