smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1c2c(cc3oc4c(CCC(C)(C)O)ccc(=O)c-4c([O-])c31)O[C@H]1OC=C[C@@]21O	ZINC000013374575	291345173	/nfs/dbraw/zinc/34/51/73/291345173.db2.gz	ICLRNDIRYAEKCT-FYYLOGMGSA-N	-1	3	426.421	2.814	10	5		IFBEHM
COc1c2c(cc3oc4c(CCC(C)(C)O)ccc([O-])c4c(=O)c31)O[C@H]1OC=C[C@@]21O	ZINC000013374575	291345176	/nfs/dbraw/zinc/34/51/76/291345176.db2.gz	ICLRNDIRYAEKCT-FYYLOGMGSA-N	-1	3	426.421	2.814	10	5		IFBEHM
COc1ccc(-c2nn3c(nnc3SCC(=O)c3ccc([N+](=O)[O-])cc3)[n-]c2=O)cc1	ZINC000022720519	523249788	/nfs/dbraw/zinc/24/97/88/523249788.db2.gz	SSSHGLVYJAKULY-UHFFFAOYSA-N	-1	3	438.425	2.784	10	5		IFBEHM
COc1c2c(cc3oc4c(CCC(C)(C)O)ccc(=O)c-4c([O-])c31)O[C@@H]1OC=C[C@]21O	ZINC000013374582	291345189	/nfs/dbraw/zinc/34/51/89/291345189.db2.gz	ICLRNDIRYAEKCT-GMAHTHKFSA-N	-1	3	426.421	2.814	10	5		IFBEHM
COc1c2c(cc3oc4c(CCC(C)(C)O)ccc([O-])c4c(=O)c31)O[C@@H]1OC=C[C@]21O	ZINC000013374582	291345192	/nfs/dbraw/zinc/34/51/92/291345192.db2.gz	ICLRNDIRYAEKCT-GMAHTHKFSA-N	-1	3	426.421	2.814	10	5		IFBEHM
CN(CCCCCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1nsc2nccn21	ZINC000013641276	562998440	/nfs/dbraw/zinc/99/84/40/562998440.db2.gz	KVEWIDVUDOCYLN-UHFFFAOYSA-N	-1	3	438.535	2.674	10	5		IFBEHM
COc1c2c(cc3oc4c(CCC(C)(C)O)ccc(=O)c-4c([O-])c31)O[C@@H]1OC=C[C@@]21O	ZINC000013374580	291345198	/nfs/dbraw/zinc/34/51/98/291345198.db2.gz	ICLRNDIRYAEKCT-JTHBVZDNSA-N	-1	3	426.421	2.814	10	5		IFBEHM
COc1c2c(cc3oc4c(CCC(C)(C)O)ccc([O-])c4c(=O)c31)O[C@@H]1OC=C[C@@]21O	ZINC000013374580	291345201	/nfs/dbraw/zinc/34/52/01/291345201.db2.gz	ICLRNDIRYAEKCT-JTHBVZDNSA-N	-1	3	426.421	2.814	10	5		IFBEHM
COc1c2c(cc3oc4c(CCC(C)(C)O)ccc(=O)c-4c([O-])c31)O[C@H]1OC=C[C@]21O	ZINC000013374578	291345160	/nfs/dbraw/zinc/34/51/60/291345160.db2.gz	ICLRNDIRYAEKCT-GGAORHGYSA-N	-1	3	426.421	2.814	10	5		IFBEHM
COc1c2c(cc3oc4c(CCC(C)(C)O)ccc([O-])c4c(=O)c31)O[C@H]1OC=C[C@]21O	ZINC000013374578	291345164	/nfs/dbraw/zinc/34/51/64/291345164.db2.gz	ICLRNDIRYAEKCT-GGAORHGYSA-N	-1	3	426.421	2.814	10	5		IFBEHM