smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1[N-]C(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc([O-])c(Cl)c1	ZINC000004992985	462642186	/nfs/dbraw/zinc/64/21/86/462642186.db2.gz	CWLSNVLKTFVOCH-YRNVUSSQSA-N	-2	3	334.759	2.450	40	10		EECBHL
C[C@H](O)Cc1cc([O-])c2c(c1)C(=O)c1cc([O-])c(Cl)c([O-])c1C2=O	ZINC000514287746	467941147	/nfs/dbraw/zinc/94/11/47/467941147.db2.gz	RILOVTGOFDASJT-LURJTMIESA-N	-3	3	348.738	2.156	40	10	biogenic,in-vitro	EECBHL
C[C@@H](O)Cc1cc([O-])c2c(c1)C(=O)c1cc([O-])c(Cl)c([O-])c1C2=O	ZINC000514287747	467941200	/nfs/dbraw/zinc/94/12/00/467941200.db2.gz	RILOVTGOFDASJT-ZCFIWIBFSA-N	-3	3	348.738	2.156	40	10	biogenic,in-vitro	EECBHL
O=C1[N-]C(=S)S/C1=C/c1cc(Br)c([O-])cc1O	ZINC000005567047	462662683	/nfs/dbraw/zinc/66/26/83/462662683.db2.gz	HHTDQWXECXTEOH-KRXBUXKQSA-N	-2	3	332.200	2.349	40	10		EECBHL
COc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C)cc1C(=O)[O-]	ZINC000226856666	242117856	/nfs/dbraw/zinc/11/78/56/242117856.db2.gz	FBYFUQZGWSMOTO-UHFFFAOYSA-N	-2	3	337.353	2.208	40	10		EECBHL
O=C([O-])CN1C(=O)/C(=C\c2cc(Cl)ccc2[O-])SC1=S	ZINC000003213176	462612339	/nfs/dbraw/zinc/61/23/39/462612339.db2.gz	ALVBEVHIYVLGOM-RUDMXATFSA-N	-2	3	329.786	2.331	40	10		EECBHL
CC(=O)c1cc([O-])ccc1[N-]S(=O)(=O)c1cn(CC(C)C)cn1	ZINC000390833428	467414336	/nfs/dbraw/zinc/41/43/36/467414336.db2.gz	HJOYBDHPFHILDJ-UHFFFAOYSA-N	-2	3	337.401	2.248	40	10		EECBHL
CCOc1cc(C=C2SC(=S)[N-]C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000003208020	462612023	/nfs/dbraw/zinc/61/20/23/462612023.db2.gz	NFZYLQTVDPDFAD-WEVVVXLNSA-N	-2	3	326.355	2.188	40	10		EECBHL
CC(=O)c1cc([O-])ccc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000390833883	467414433	/nfs/dbraw/zinc/41/44/33/467414433.db2.gz	OKXRQQGJJCQSNM-UHFFFAOYSA-N	-2	3	336.325	2.304	40	10		EECBHL
O=C1[N-]C(=O)C(=Cc2ccc(C=C3SC(=S)[N-]C3=O)o2)S1	ZINC000002689103	462599557	/nfs/dbraw/zinc/59/95/57/462599557.db2.gz	UVEFZDZGBXOHRQ-KYPMKJFLSA-N	-2	3	338.391	2.092	40	10		EECBHL
COc1ccsc1S(=O)(=O)[N-]c1ccc([O-])cc1C(C)=O	ZINC000390834204	467414471	/nfs/dbraw/zinc/41/44/71/467414471.db2.gz	UMWZMUABMNWUEO-UHFFFAOYSA-N	-2	3	327.383	2.466	40	10		EECBHL
CC(=O)[N-]C1=NC(=O)/C(=C/c2ccc([O-])c(Br)c2)S1	ZINC000408758088	466682982	/nfs/dbraw/zinc/68/29/82/466682982.db2.gz	GMBKIXVSSGSQOC-YHYXMXQVSA-N	-2	3	341.186	2.261	40	10		EECBHL
CC(=O)c1cc([O-])ccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000390835759	467415168	/nfs/dbraw/zinc/41/51/68/467415168.db2.gz	XQBVBQANAKKTIV-UHFFFAOYSA-N	-2	3	336.325	2.304	40	10		EECBHL