smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H](C#N)CCC[N@@H+](Cc1ccccc1)[C@@H]1C[C@H](C)[NH+](C)C[C@H]1C	ZINC000004728599	563509300	/nfs/dbraw/zinc/50/93/00/563509300.db2.gz	XKAPFDIMCVLRIR-WERVVEIQSA-N	2	1	327.516	4.157	40	30		EIEBMP
C[C@@H](C#N)CCC[NH+](Cc1ccccc1)[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C	ZINC000004728599	563509301	/nfs/dbraw/zinc/50/93/01/563509301.db2.gz	XKAPFDIMCVLRIR-WERVVEIQSA-N	2	1	327.516	4.157	40	30		EIEBMP
C[C@@H](C#N)CCC[NH+](Cc1ccccc1)[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C	ZINC000004728599	563509305	/nfs/dbraw/zinc/50/93/05/563509305.db2.gz	XKAPFDIMCVLRIR-WERVVEIQSA-N	2	1	327.516	4.157	40	30		EIEBMP
C[C@@H](C#N)CCC[N@@H+](Cc1ccccc1)[C@@H]1C[C@@H](C)[NH+](C)C[C@@H]1C	ZINC000013509656	564020051	/nfs/dbraw/zinc/02/00/51/564020051.db2.gz	XKAPFDIMCVLRIR-RCLSDMTESA-N	2	1	327.516	4.157	40	30		EIEBMP
C[C@@H](C#N)CCC[NH+](Cc1ccccc1)[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C	ZINC000013509656	564020052	/nfs/dbraw/zinc/02/00/52/564020052.db2.gz	XKAPFDIMCVLRIR-RCLSDMTESA-N	2	1	327.516	4.157	40	30		EIEBMP
C[C@@H](C#N)CCC[NH+](Cc1ccccc1)[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C	ZINC000013509656	564020053	/nfs/dbraw/zinc/02/00/53/564020053.db2.gz	XKAPFDIMCVLRIR-RCLSDMTESA-N	2	1	327.516	4.157	40	30		EIEBMP
C[C@@H](C#N)CCC[N@@H+](Cc1ccccc1)[C@H]1C[C@H](C)[NH+](C)C[C@H]1C	ZINC000004728597	210262072	/nfs/dbraw/zinc/26/20/72/210262072.db2.gz	XKAPFDIMCVLRIR-BNDYYXHWSA-N	2	1	327.516	4.157	40	30		EIEBMP
C[C@@H](C#N)CCC[NH+](Cc1ccccc1)[C@H]1C[C@H](C)[N@H+](C)C[C@H]1C	ZINC000004728597	210262075	/nfs/dbraw/zinc/26/20/75/210262075.db2.gz	XKAPFDIMCVLRIR-BNDYYXHWSA-N	2	1	327.516	4.157	40	30		EIEBMP
C[C@@H](C#N)CCC[NH+](Cc1ccccc1)[C@H]1C[C@H](C)[N@@H+](C)C[C@H]1C	ZINC000004728597	210262079	/nfs/dbraw/zinc/26/20/79/210262079.db2.gz	XKAPFDIMCVLRIR-BNDYYXHWSA-N	2	1	327.516	4.157	40	30		EIEBMP
C[C@@H](C#N)CCC[N@@H+](Cc1ccccc1)[C@H]1C[C@@H](C)[NH+](C)C[C@H]1C	ZINC000004728596	210261459	/nfs/dbraw/zinc/26/14/59/210261459.db2.gz	XKAPFDIMCVLRIR-XCJLJZCSSA-N	2	1	327.516	4.157	40	30		EIEBMP
C[C@@H](C#N)CCC[NH+](Cc1ccccc1)[C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C	ZINC000004728596	210261463	/nfs/dbraw/zinc/26/14/63/210261463.db2.gz	XKAPFDIMCVLRIR-XCJLJZCSSA-N	2	1	327.516	4.157	40	30		EIEBMP
C[C@@H](C#N)CCC[NH+](Cc1ccccc1)[C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C	ZINC000004728596	210261466	/nfs/dbraw/zinc/26/14/66/210261466.db2.gz	XKAPFDIMCVLRIR-XCJLJZCSSA-N	2	1	327.516	4.157	40	30		EIEBMP
C[C@@H](C#N)CCC[N@@H+](Cc1ccccc1)[C@@H]1C[C@@H](C)[NH+](C)C[C@H]1C	ZINC000004728598	210262003	/nfs/dbraw/zinc/26/20/03/210262003.db2.gz	XKAPFDIMCVLRIR-ANTGDGSKSA-N	2	1	327.516	4.157	40	30		EIEBMP
C[C@@H](C#N)CCC[NH+](Cc1ccccc1)[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C	ZINC000004728598	210262006	/nfs/dbraw/zinc/26/20/06/210262006.db2.gz	XKAPFDIMCVLRIR-ANTGDGSKSA-N	2	1	327.516	4.157	40	30		EIEBMP
C[C@@H](C#N)CCC[NH+](Cc1ccccc1)[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C	ZINC000004728598	210262010	/nfs/dbraw/zinc/26/20/10/210262010.db2.gz	XKAPFDIMCVLRIR-ANTGDGSKSA-N	2	1	327.516	4.157	40	30		EIEBMP