smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(/N=C/c2cc(Br)ccc2[O-])ccc1/N=C/c1cc(Br)ccc1[O-]	ZINC000008426965	554582266	/nfs/dbraw/zinc/58/22/66/554582266.db2.gz	NNLCCQSMEVMOAF-DHSUVYDUSA-N	-2	3	488.179	6.432	10	30		JKEEHL
Cc1c(O)c([O-])cc2c1C(=O)C=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(C(=O)[O-])CC[C@]3(C)CC[C@]12C	ZINC000034209382	569639856	/nfs/dbraw/zinc/63/98/56/569639856.db2.gz	MIQDJLKXHZPMHH-CPISFEQASA-N	-2	3	466.618	6.284	10	30	biogenic,in-vitro	JKEEHL
CCCCCCCCC/C=C\C=C\[C@@H](SCCC(=O)[O-])[C@@H](O)c1cccc(-c2nnn[n-]2)c1	ZINC000008214682	562938951	/nfs/dbraw/zinc/93/89/51/562938951.db2.gz	YPHOSUPSOWQQCB-AFOLHBCXSA-N	-2	3	472.655	5.730	10	30	investigational	JKEEHL
CCCCCCCCC/C=C\C=C\[C@@H](SCCC(=O)[O-])[C@@H](O)c1cccc(-c2nn[n-]n2)c1	ZINC000008214682	562938952	/nfs/dbraw/zinc/93/89/52/562938952.db2.gz	YPHOSUPSOWQQCB-AFOLHBCXSA-N	-2	3	472.655	5.730	10	30	investigational	JKEEHL
Nc1c2ccccc2c(C([O-])(C(F)(F)F)C(F)(F)F)cc1C([O-])(C(F)(F)F)C(F)(F)F	ZINC000008685735	562952603	/nfs/dbraw/zinc/95/26/03/562952603.db2.gz	IFGCOSAMEBUJDO-UHFFFAOYSA-N	-2	3	475.229	5.046	10	30		JKEEHL
CCCCCCCCCCCCCCCC[S@+](C)CC(P(=O)([O-])[O-])P(=O)([O-])[O-]	ZINC000043569739	563170489	/nfs/dbraw/zinc/17/04/89/563170489.db2.gz	DEZBXKUVBSMQJM-MUUNZHRXSA-O	-3	3	461.562	5.397	10	30		JKEEHL
C=C1CC[C@H]2[C@H](c3ccccc3)c3c([O-])c(C=O)c([O-])c(C=O)c3O[C@]2(C)CC[C@@H]2[C@@H]1CC2(C)C	ZINC000096023724	569731908	/nfs/dbraw/zinc/73/19/08/569731908.db2.gz	NSFVENNIBGTQJE-XRXODSDBSA-N	-2	3	474.597	6.415	10	30	biogenic	JKEEHL
O=C([O-])C(Cc1ccccc1[N+](=O)[O-])=N[N-]c1nc(-c2ccc(Cl)c(Cl)c2)cs1	ZINC000254489768	570105872	/nfs/dbraw/zinc/10/58/72/570105872.db2.gz	KFRKRECSIYXARE-UHFFFAOYSA-N	-2	3	451.291	5.120	10	30		JKEEHL
C=C1CC[C@@H]2[C@@H](c3ccccc3)c3c([O-])c(C=O)c([O-])c(C=O)c3O[C@@]2(C)CC[C@@H]2[C@@H]1CC2(C)C	ZINC000169423391	290675921	/nfs/dbraw/zinc/67/59/21/290675921.db2.gz	NSFVENNIBGTQJE-RVUBIHFESA-N	-2	3	474.597	6.415	10	30	biogenic	JKEEHL
CCCCCCCCCCCCCCCC[S@@+](C)CC(P(=O)([O-])[O-])P(=O)([O-])[O-]	ZINC000043569737	563170495	/nfs/dbraw/zinc/17/04/95/563170495.db2.gz	DEZBXKUVBSMQJM-NDEPHWFRSA-O	-3	3	461.562	5.397	10	30		JKEEHL
CC(C)=CCc1cc(/C=C/C(=O)c2ccc([O-])c(CC=C(C)C)c2[O-])cc2c1OC(C)(C)C=C2	ZINC000033833762	560088038	/nfs/dbraw/zinc/08/80/38/560088038.db2.gz	AIFRLZKCLIPEMC-UKTHLTGXSA-N	-2	3	458.598	7.196	10	30	biogenic,in-vitro	JKEEHL
C=C(C)[C@@H](CC=C(C)C)Cc1c([O-])cc(OC)c2c(=O)c(O)c(-c3ccc(O)cc3[O-])oc12	ZINC000033832707	560088240	/nfs/dbraw/zinc/08/82/40/560088240.db2.gz	KNDDWJXDRIODRW-HNNXBMFYSA-N	-2	3	452.503	5.382	10	30	biogenic,in-vitro	JKEEHL
C=C(C)[C@H](CC=C(C)C)Cc1c([O-])cc(OC)c2c(=O)c(O)c(-c3ccc(O)cc3[O-])oc12	ZINC000033832708	560088274	/nfs/dbraw/zinc/08/82/74/560088274.db2.gz	KNDDWJXDRIODRW-OAHLLOKOSA-N	-2	3	452.503	5.382	10	30	biogenic,in-vitro	JKEEHL
C=C1CC[C@H]2[C@@H](c3ccccc3)c3c([O-])c(C=O)c([O-])c(C=O)c3O[C@]2(C)CC[C@@H]2[C@@H]1CC2(C)C	ZINC000096023721	569731873	/nfs/dbraw/zinc/73/18/73/569731873.db2.gz	NSFVENNIBGTQJE-LSRGYDJBSA-N	-2	3	474.597	6.415	10	30	biogenic	JKEEHL