smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])[C@H]1CC(c2ccccc2)=NN1/C=C1\SC(=S)[N-]C1=O	ZINC000256027883	244066765	/nfs/dbraw/zinc/06/67/65/244066765.db2.gz	HYQCCICNCXPUNR-PAKSIRSJSA-N	-2	1	333.394	1.539	40	10		EDCBML
O=C([O-])C(=O)[C@@H]1C(=O)C([O-])=C(CCc2cccc3ccccc32)C1=O	ZINC000104141526	219350875	/nfs/dbraw/zinc/35/08/75/219350875.db2.gz	BDDHKPIFPIJFSV-KBPBESRZSA-N	-2	1	338.315	1.379	40	10		EDCBML
O=C([O-])c1nc(/N=N/c2ccc(S(=O)(=O)[O-])cc2)[n-]c1C(=O)O	ZINC000004353381	210176865	/nfs/dbraw/zinc/17/68/65/210176865.db2.gz	OWXHZQOFBPBHNX-CCEZHUSRSA-N	-3	1	340.273	1.468	40	10		EDCBML
Cc1ccc(C2=NN(C=C3SC(=S)[N-]C3=O)[C@@H](C(=O)[O-])C2)cc1	ZINC000256028136	244067324	/nfs/dbraw/zinc/06/73/24/244067324.db2.gz	VHWKRVNWQAENAG-HBZGRHIISA-N	-2	1	347.421	1.847	40	10		EDCBML
C[C@@]1(O)CC(=O)c2c(cc([O-])c3c2C(=O)c2cccc([O-])c2C3=O)C1	ZINC000006032158	440978181	/nfs/dbraw/zinc/97/81/81/440978181.db2.gz	JJOLHRYZQSDLSA-IBGZPJMESA-N	-2	1	338.315	1.753	40	10	biogenic,in-vitro	EDCBML
O=C([O-])[C@@H]1CC(c2ccccc2)=NN1/C=C1\SC(=S)[N-]C1=O	ZINC000256027884	244066586	/nfs/dbraw/zinc/06/65/86/244066586.db2.gz	HYQCCICNCXPUNR-QBQSQJOESA-N	-2	1	333.394	1.539	40	10		EDCBML
Cc1ccc(C2=NN(C=C3SC(=S)[N-]C3=O)[C@H](C(=O)[O-])C2)cc1	ZINC000256028137	244067206	/nfs/dbraw/zinc/06/72/06/244067206.db2.gz	VHWKRVNWQAENAG-ZWIPKHHJSA-N	-2	1	347.421	1.847	40	10		EDCBML
O=C([O-])C(=O)[C@H]1C(=O)C([O-])=C(CCc2cccc3ccccc32)C1=O	ZINC000104141533	204098887	/nfs/dbraw/zinc/09/88/87/204098887.db2.gz	BDDHKPIFPIJFSV-UONOGXRCSA-N	-2	1	338.315	1.379	40	10		EDCBML
N=C1C=CC(=S(=O)([O-])Nc2c(C(=O)[O-])nc3ccccn32)C=C1	ZINC000409415847	447684427	/nfs/dbraw/zinc/68/44/27/447684427.db2.gz	OUBBHZPYSGEVSB-UHFFFAOYSA-N	-2	1	332.341	1.435	40	10		EDCBML
O=C([O-])[C@@H]1CC(c2cccs2)=NN1/C=C1\SC(=S)[N-]C1=O	ZINC000256027904	244066321	/nfs/dbraw/zinc/06/63/21/244066321.db2.gz	JFACAXQFEQOQLE-VYVBZAQUSA-N	-2	1	339.423	1.600	40	10		EDCBML