smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1nc(C=Cc2ccc(OCCOc3ccccc3)cc2)c([N+](=O)[O-])c([O-])[n-]1	ZINC000409310133	231189080	/nfs/dbraw/zinc/18/90/80/231189080.db2.gz	QVOUBUJYBKPSBH-FLIBITNWSA-N	-2	3	395.371	3.424	40	5		GGBBHL
CC(C)(O)CCc1ccc(=O)c2c([O-])c3c([O-])c4c(cc3oc1-2)O[C@@H]1OC=C[C@H]41	ZINC000013374563	560215472	/nfs/dbraw/zinc/21/54/72/560215472.db2.gz	JWPAJVNQGTWPMI-FIKIJFGZSA-N	-2	3	396.395	3.407	40	5	biogenic,in-vitro	GGBBHL
CC(C)(O)CCc1ccc([O-])c2c([O-])c3c(=O)c4c(cc-3oc12)O[C@@H]1OC=C[C@H]41	ZINC000013374563	560215475	/nfs/dbraw/zinc/21/54/75/560215475.db2.gz	JWPAJVNQGTWPMI-FIKIJFGZSA-N	-2	3	396.395	3.407	40	5	biogenic,in-vitro	GGBBHL
O=[N+]([O-])c1cccnc1Sc1nc(-c2cc(Br)ccc2[O-])n[n-]1	ZINC000408608968	231079168	/nfs/dbraw/zinc/07/91/68/231079168.db2.gz	XYOYHGUPZBNKQM-UHFFFAOYSA-N	-2	3	394.210	3.394	40	5		GGBBHL
O=C([O-])c1cc(Cl)c(Cl)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000226354513	534543589	/nfs/dbraw/zinc/54/35/89/534543589.db2.gz	CAMJGQSSEWCFGH-UHFFFAOYSA-N	-2	3	391.188	3.401	40	5		GGBBHL
O=[N+]([O-])c1ccc(Sc2nc(-c3cc(Br)ccc3[O-])n[n-]2)nc1	ZINC000408608940	534882782	/nfs/dbraw/zinc/88/27/82/534882782.db2.gz	XTTVLZOHCBPEQC-UHFFFAOYSA-N	-2	3	394.210	3.394	40	5		GGBBHL
CC(C)(O)CCc1ccc(=O)c2c([O-])c3c([O-])c4c(cc3oc1-2)O[C@@H]1OC=C[C@@H]41	ZINC000013374560	560215430	/nfs/dbraw/zinc/21/54/30/560215430.db2.gz	JWPAJVNQGTWPMI-MQJDWESPSA-N	-2	3	396.395	3.407	40	5	biogenic,in-vitro	GGBBHL
CC(C)(O)CCc1ccc([O-])c2c([O-])c3c(=O)c4c(cc-3oc12)O[C@@H]1OC=C[C@@H]41	ZINC000013374560	560215432	/nfs/dbraw/zinc/21/54/32/560215432.db2.gz	JWPAJVNQGTWPMI-MQJDWESPSA-N	-2	3	396.395	3.407	40	5	biogenic,in-vitro	GGBBHL
CC(C)(O)CCc1ccc(=O)c2c([O-])c3c([O-])c4c(cc3oc1-2)O[C@H]1OC=C[C@@H]41	ZINC000014858282	560227261	/nfs/dbraw/zinc/22/72/61/560227261.db2.gz	JWPAJVNQGTWPMI-WIUDPPPLSA-N	-2	3	396.395	3.407	40	5	biogenic,in-vitro	GGBBHL
CC(C)(O)CCc1ccc([O-])c2c([O-])c3c(=O)c4c(cc-3oc12)O[C@H]1OC=C[C@@H]41	ZINC000014858282	560227263	/nfs/dbraw/zinc/22/72/63/560227263.db2.gz	JWPAJVNQGTWPMI-WIUDPPPLSA-N	-2	3	396.395	3.407	40	5	biogenic,in-vitro	GGBBHL
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(Cl)c2)ccc1[O-]	ZINC000014246935	207017647	/nfs/dbraw/zinc/01/76/47/207017647.db2.gz	ZXYKMECWHVVVDB-UHFFFAOYSA-N	-2	3	394.739	3.356	40	5		GGBBHL
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)cc2)ccc1[O-]	ZINC000012544935	570846356	/nfs/dbraw/zinc/84/63/56/570846356.db2.gz	UYGNLPASRGMXAG-UHFFFAOYSA-N	-2	3	378.406	3.423	40	5		GGBBHL
O=c1nc(C=Cc2ccccc2OCCOc2ccccc2)c([N+](=O)[O-])c([O-])[n-]1	ZINC000409317767	231189703	/nfs/dbraw/zinc/18/97/03/231189703.db2.gz	SEXROJCRWLYZLO-KHPPLWFESA-N	-2	3	395.371	3.424	40	5		GGBBHL
CC(C)(O)CCc1ccc(=O)c2c([O-])c3c([O-])c4c(cc3oc1-2)O[C@H]1OC=C[C@H]41	ZINC000013374559	560215528	/nfs/dbraw/zinc/21/55/28/560215528.db2.gz	JWPAJVNQGTWPMI-WSVYEEACSA-N	-2	3	396.395	3.407	40	5	biogenic,in-vitro	GGBBHL
CC(C)(O)CCc1ccc([O-])c2c([O-])c3c(=O)c4c(cc-3oc12)O[C@H]1OC=C[C@H]41	ZINC000013374559	560215529	/nfs/dbraw/zinc/21/55/29/560215529.db2.gz	JWPAJVNQGTWPMI-WSVYEEACSA-N	-2	3	396.395	3.407	40	5	biogenic,in-vitro	GGBBHL