smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)(C)c1cc(CNCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c(O)c(C(C)(C)C)c1	ZINC000729684405	1071807732	/nfs/dbraw/zinc/80/77/32/1071807732.db2.gz	OGTUDGRNCZYCEY-QGZVFWFLSA-N	1	3	403.611	3.664	20	10		HHCDHO
CC(C)(C)c1cc(CNCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c(O)c(C(C)(C)C)c1	ZINC000729684405	1071807753	/nfs/dbraw/zinc/80/77/53/1071807753.db2.gz	OGTUDGRNCZYCEY-QGZVFWFLSA-N	1	3	403.611	3.664	20	10		HHCDHO
COc1cc(C[NH+]2CCC(N3CCN(C(C)C)CC3)CC2)c(O)c(C(C)(C)C)c1	ZINC000760286386	1072183620	/nfs/dbraw/zinc/18/36/20/1072183620.db2.gz	KUSWYBCSMBJUSP-UHFFFAOYSA-N	1	3	403.611	3.689	20	10		HHCDHO
COc1cc(Cl)cc(C[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c1[O-]	ZINC000761215270	1075629466	/nfs/dbraw/zinc/62/94/66/1075629466.db2.gz	ITHDNCYAADSPEH-UHFFFAOYSA-N	1	3	415.965	3.876	20	10		HHCDHO
COc1cc(Cl)cc(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1[O-]	ZINC000761202439	1075588453	/nfs/dbraw/zinc/58/84/53/1075588453.db2.gz	DZYGVVKFQZTTIM-UHFFFAOYSA-N	1	3	410.002	3.682	20	10		HHCDHO
COc1cc(Cl)cc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1[O-]	ZINC000761202439	1075588458	/nfs/dbraw/zinc/58/84/58/1075588458.db2.gz	DZYGVVKFQZTTIM-UHFFFAOYSA-N	1	3	410.002	3.682	20	10		HHCDHO
O=C(NCCN1CCCC1)c1ccc(C[NH2+]Cc2ccc(N3CCCCC3)cc2)cc1	ZINC000238076062	970434145	/nfs/dbraw/zinc/43/41/45/970434145.db2.gz	CREKFWBJVCDZGZ-UHFFFAOYSA-N	1	3	420.601	3.792	20	10		HHCDHO
CC(C)(C)c1cc(CNCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c(O)c(C(C)(C)C)c1	ZINC000729684404	1071806476	/nfs/dbraw/zinc/80/64/76/1071806476.db2.gz	OGTUDGRNCZYCEY-KRWDZBQOSA-N	1	3	403.611	3.664	20	10		HHCDHO
CC(C)(C)c1cc(CNCCC[N@H+]2CCC[C@H](C(N)=O)C2)c(O)c(C(C)(C)C)c1	ZINC000729684404	1071806491	/nfs/dbraw/zinc/80/64/91/1071806491.db2.gz	OGTUDGRNCZYCEY-KRWDZBQOSA-N	1	3	403.611	3.664	20	10		HHCDHO