smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nccnc2C(C#N)C(=O)OC(C)(C)C)CC1	ZINC001164827993	720347951	/nfs/dbraw/zinc/34/79/51/720347951.db2.gz	NRBJSSOFRFWCBL-XUVXKRRUSA-N	1	3	468.602	2.337	20	30		JEEDHO
C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nccnc2C(C#N)C(=O)OC(C)(C)C)CC1	ZINC001164827992	720348204	/nfs/dbraw/zinc/34/82/04/720348204.db2.gz	NRBJSSOFRFWCBL-VAMGGRTRSA-N	1	3	468.602	2.337	20	30		JEEDHO
C[NH+](C)CCOCc1ncn2c1CN(c1nccnc1C(C#N)C(=O)OC(C)(C)C)CCC2	ZINC001165003456	722257427	/nfs/dbraw/zinc/25/74/27/722257427.db2.gz	DOXUQHGXDDEZPF-KRWDZBQOSA-N	1	3	455.563	2.110	20	30		JEEDHO
C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nccnc2C(C#N)C(=O)OC(C)(C)C)CC1	ZINC001164827991	720347448	/nfs/dbraw/zinc/34/74/48/720347448.db2.gz	NRBJSSOFRFWCBL-AQNXPRMDSA-N	1	3	468.602	2.337	20	30		JEEDHO
C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nccnc2C(C#N)C(=O)OC(C)(C)C)CC1	ZINC001164827994	720347927	/nfs/dbraw/zinc/34/79/27/720347927.db2.gz	NRBJSSOFRFWCBL-ZCNNSNEGSA-N	1	3	468.602	2.337	20	30		JEEDHO
C[NH+](C)CCOCc1ncn2c1CN(c1nccnc1C(C#N)C(=O)OC(C)(C)C)CCC2	ZINC001165003460	722257471	/nfs/dbraw/zinc/25/74/71/722257471.db2.gz	DOXUQHGXDDEZPF-QGZVFWFLSA-N	1	3	455.563	2.110	20	30		JEEDHO