smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)nc4c3CN(C(=O)OCCCl)CC4)C[C@@H]21	ZINC001164668783	719383264	/nfs/dbraw/zinc/38/32/64/719383264.db2.gz	RWXSWMWHOZSNTL-UONOGXRCSA-N	1	0	416.309	1.383	20	50		HDGDRO
C[N@@H+]1CCO[C@H]2CN(c3nc(Cl)nc4c3CN(C(=O)OCCCl)CC4)C[C@H]21	ZINC001164668782	719383714	/nfs/dbraw/zinc/38/37/14/719383714.db2.gz	RWXSWMWHOZSNTL-KGLIPLIRSA-N	1	0	416.309	1.383	20	50		HDGDRO
C[NH+](C)CCOCc1ncn2c1CN(c1ccc(NC(=O)CCl)cn1)CCC2	ZINC001165003847	722257723	/nfs/dbraw/zinc/25/77/23/722257723.db2.gz	JLZSRWKYXVBIFV-UHFFFAOYSA-N	1	0	406.918	1.944	20	50		HDGDRO
CC(NNC(=O)C[N+](C)(C)C)=C1C=CC(=NS(=O)(=O)c2ccc(C)cc2)C=C1	ZINC000916270404	717192751	/nfs/dbraw/zinc/19/27/51/717192751.db2.gz	DIWKKJMPSAKJLP-UHFFFAOYSA-O	1	0	403.528	1.852	20	50		HDGDRO
CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ncccc3NC(=O)CCl)CC2)C1	ZINC001164873358	721284390	/nfs/dbraw/zinc/28/43/90/721284390.db2.gz	LMDPQKSXIMZEHA-UHFFFAOYSA-N	1	0	423.945	1.266	20	50		HDGDRO
C[NH+](C)CCNC(=O)c1noc2c1CN(c1ncccc1NC(=O)CCl)CC2	ZINC001164754100	720962717	/nfs/dbraw/zinc/96/27/17/720962717.db2.gz	KPWCVUPGXGWOCT-UHFFFAOYSA-N	1	0	406.874	1.101	20	50		HDGDRO
C[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)nc4c3CN(C(=O)OCCCl)CC4)C[C@H]21	ZINC001164668784	719383271	/nfs/dbraw/zinc/38/32/71/719383271.db2.gz	RWXSWMWHOZSNTL-ZIAGYGMSSA-N	1	0	416.309	1.383	20	50		HDGDRO
C[NH+]1CCN(Cc2cn3c(n2)CN(c2ncccc2NC(=O)CCl)CC3)CC1	ZINC001164797095	721517816	/nfs/dbraw/zinc/51/78/16/721517816.db2.gz	GFLGGQMGJKVMHL-UHFFFAOYSA-N	1	0	403.918	1.223	20	50		HDGDRO
C[NH+]1CCN(Cc2cn3c(n2)CN(c2ccc(NC(=O)CCl)cn2)CC3)CC1	ZINC001164795191	721521627	/nfs/dbraw/zinc/52/16/27/721521627.db2.gz	LPJUJVKJCXAFRZ-UHFFFAOYSA-N	1	0	403.918	1.223	20	50		HDGDRO
CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ccc(NC(=O)CCl)cn3)CC2)C1	ZINC001164879683	721290084	/nfs/dbraw/zinc/29/00/84/721290084.db2.gz	ZHCYDFUNZUVPJV-UHFFFAOYSA-N	1	0	423.945	1.266	20	50		HDGDRO
C[NH+](C)CCOCc1ncn2c1CN(c1ncccc1NC(=O)CCl)CCC2	ZINC001165001877	722255839	/nfs/dbraw/zinc/25/58/39/722255839.db2.gz	HUQSTNUKDLTFOW-UHFFFAOYSA-N	1	0	406.918	1.944	20	50		HDGDRO
C[N@@H+]1CCO[C@H]2CN(c3nc(Cl)nc4c3CN(C(=O)OCCCl)CC4)C[C@@H]21	ZINC001164668529	719383766	/nfs/dbraw/zinc/38/37/66/719383766.db2.gz	RWXSWMWHOZSNTL-KBPBESRZSA-N	1	0	416.309	1.383	20	50		HDGDRO
C[NH+](C)CCNC(=O)c1noc2c1CN(c1ccc(NC(=O)CCl)cn1)CC2	ZINC001164753775	720967663	/nfs/dbraw/zinc/96/76/63/720967663.db2.gz	KBFCGGVPNCOZBK-UHFFFAOYSA-N	1	0	406.874	1.101	20	50		HDGDRO