smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1nc(C[NH+]2CCC(C[NH2+]Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)CC2)cs1	ZINC001461210165	1067800127	/nfs/dbraw/zinc/80/01/27/1067800127.db2.gz	QNCBNHSIVISVPY-UHFFFAOYSA-N	2	1	457.625	4.739	20	5		JJBDMP
CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)ccn1	ZINC001462460627	1068079528	/nfs/dbraw/zinc/07/95/28/1068079528.db2.gz	YKBKEASLJAUTBD-FQEVSTJZSA-N	2	1	452.477	4.502	20	5		JJBDMP
CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)ccn1	ZINC001462460627	1068079542	/nfs/dbraw/zinc/07/95/42/1068079542.db2.gz	YKBKEASLJAUTBD-FQEVSTJZSA-N	2	1	452.477	4.502	20	5		JJBDMP
CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)ccn1	ZINC001462460627	1068079554	/nfs/dbraw/zinc/07/95/54/1068079554.db2.gz	YKBKEASLJAUTBD-FQEVSTJZSA-N	2	1	452.477	4.502	20	5		JJBDMP
CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)ccn1	ZINC001462460627	1068079564	/nfs/dbraw/zinc/07/95/64/1068079564.db2.gz	YKBKEASLJAUTBD-FQEVSTJZSA-N	2	1	452.477	4.502	20	5		JJBDMP
CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)ccn1	ZINC001462460633	1068079652	/nfs/dbraw/zinc/07/96/52/1068079652.db2.gz	YKBKEASLJAUTBD-HXUWFJFHSA-N	2	1	452.477	4.502	20	5		JJBDMP
CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)ccn1	ZINC001462460633	1068079666	/nfs/dbraw/zinc/07/96/66/1068079666.db2.gz	YKBKEASLJAUTBD-HXUWFJFHSA-N	2	1	452.477	4.502	20	5		JJBDMP
CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)ccn1	ZINC001462460633	1068079676	/nfs/dbraw/zinc/07/96/76/1068079676.db2.gz	YKBKEASLJAUTBD-HXUWFJFHSA-N	2	1	452.477	4.502	20	5		JJBDMP
CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)ccn1	ZINC001462460633	1068079690	/nfs/dbraw/zinc/07/96/90/1068079690.db2.gz	YKBKEASLJAUTBD-HXUWFJFHSA-N	2	1	452.477	4.502	20	5		JJBDMP
CC(C)[N@H+](C)Cc1nn(C(F)(F)c2cnc(Cl)c(-c3cccc([N+](=O)[O-])c3)c2)c2c1CC[NH2+]C2	ZINC001164680998	719653425	/nfs/dbraw/zinc/65/34/25/719653425.db2.gz	KZNIOCOVOGSPQK-UHFFFAOYSA-N	2	1	490.942	4.590	20	5		JJBDMP
CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2cnc(Cl)c(-c3cccc([N+](=O)[O-])c3)c2)c2c1CC[NH2+]C2	ZINC001164680998	719653433	/nfs/dbraw/zinc/65/34/33/719653433.db2.gz	KZNIOCOVOGSPQK-UHFFFAOYSA-N	2	1	490.942	4.590	20	5		JJBDMP
C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1	ZINC001460540920	1067653890	/nfs/dbraw/zinc/65/38/90/1067653890.db2.gz	GXSHTXHRSBNTLF-YADARESESA-N	2	1	450.583	4.544	20	5		JJBDMP
C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1	ZINC001460540920	1067653891	/nfs/dbraw/zinc/65/38/91/1067653891.db2.gz	GXSHTXHRSBNTLF-YADARESESA-N	2	1	450.583	4.544	20	5		JJBDMP
COc1cc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC001461404934	1067847557	/nfs/dbraw/zinc/84/75/57/1067847557.db2.gz	GLKIIVBZQRGFRI-UHFFFAOYSA-N	2	1	453.583	4.927	20	5		JJBDMP
CC(C)(C)OC(=O)CC[C@@H]1CCC[N@@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)C1	ZINC001462358280	1068058695	/nfs/dbraw/zinc/05/86/95/1068058695.db2.gz	WSCAHCRAMMPPJJ-QFIPXVFZSA-N	2	1	459.631	4.683	20	5		JJBDMP
C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1	ZINC001460540903	1067653851	/nfs/dbraw/zinc/65/38/51/1067653851.db2.gz	GXSHTXHRSBNTLF-CYFREDJKSA-N	2	1	450.583	4.544	20	5		JJBDMP
C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1	ZINC001460540903	1067653855	/nfs/dbraw/zinc/65/38/55/1067653855.db2.gz	GXSHTXHRSBNTLF-CYFREDJKSA-N	2	1	450.583	4.544	20	5		JJBDMP
C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1	ZINC001460540914	1067653894	/nfs/dbraw/zinc/65/38/94/1067653894.db2.gz	GXSHTXHRSBNTLF-NTKDMRAZSA-N	2	1	450.583	4.544	20	5		JJBDMP
C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1	ZINC001460540914	1067653896	/nfs/dbraw/zinc/65/38/96/1067653896.db2.gz	GXSHTXHRSBNTLF-NTKDMRAZSA-N	2	1	450.583	4.544	20	5		JJBDMP
CC(C)(C)OC(=O)CC[C@H]1CCC[N@@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)C1	ZINC001462358274	1068058854	/nfs/dbraw/zinc/05/88/54/1068058854.db2.gz	WSCAHCRAMMPPJJ-JOCHJYFZSA-N	2	1	459.631	4.683	20	5		JJBDMP
C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1	ZINC001460540909	1067653872	/nfs/dbraw/zinc/65/38/72/1067653872.db2.gz	GXSHTXHRSBNTLF-DVECYGJZSA-N	2	1	450.583	4.544	20	5		JJBDMP
C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1	ZINC001460540909	1067653877	/nfs/dbraw/zinc/65/38/77/1067653877.db2.gz	GXSHTXHRSBNTLF-DVECYGJZSA-N	2	1	450.583	4.544	20	5		JJBDMP