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]1C[C@@H]([N@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)CCN1	ZINC001246443376	1314629916	/nfs/dbraw/zinc/62/99/16/1314629916.db2.gz	SJMGWABCKWSIDV-XLNTUCKNSA-N	2	3	326.488	2.771	20	30		EFEDHP
C[C@@H]1C[C@@H]([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)CCN1	ZINC001246443376	1314629919	/nfs/dbraw/zinc/62/99/19/1314629919.db2.gz	SJMGWABCKWSIDV-XLNTUCKNSA-N	2	3	326.488	2.771	20	30		EFEDHP
C[C@@H]1C[C@H]([N@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)CCN1	ZINC001246444875	1314629714	/nfs/dbraw/zinc/62/97/14/1314629714.db2.gz	ZIOJRCLQVXXERG-HUYLIWGRSA-N	2	3	326.488	2.771	20	30		EFEDHP
C[C@@H]1C[C@H]([N@@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)CCN1	ZINC001246444875	1314629718	/nfs/dbraw/zinc/62/97/18/1314629718.db2.gz	ZIOJRCLQVXXERG-HUYLIWGRSA-N	2	3	326.488	2.771	20	30		EFEDHP
C[C@H]1C[C@@H]([N@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)CCN1	ZINC001246444876	1314629762	/nfs/dbraw/zinc/62/97/62/1314629762.db2.gz	ZIOJRCLQVXXERG-KNTRFNDTSA-N	2	3	326.488	2.771	20	30		EFEDHP
C[C@H]1C[C@@H]([N@@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)CCN1	ZINC001246444876	1314629765	/nfs/dbraw/zinc/62/97/65/1314629765.db2.gz	ZIOJRCLQVXXERG-KNTRFNDTSA-N	2	3	326.488	2.771	20	30		EFEDHP
C[C@@H]1C[C@@H]([N@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)CCN1	ZINC001246444878	1314630173	/nfs/dbraw/zinc/63/01/73/1314630173.db2.gz	ZIOJRCLQVXXERG-XLNTUCKNSA-N	2	3	326.488	2.771	20	30		EFEDHP
C[C@@H]1C[C@@H]([N@@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)CCN1	ZINC001246444878	1314630178	/nfs/dbraw/zinc/63/01/78/1314630178.db2.gz	ZIOJRCLQVXXERG-XLNTUCKNSA-N	2	3	326.488	2.771	20	30		EFEDHP
C[C@H]1C[C@H]([N@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)CCN1	ZINC001246443375	1314630309	/nfs/dbraw/zinc/63/03/09/1314630309.db2.gz	SJMGWABCKWSIDV-MVJPYGJCSA-N	2	3	326.488	2.771	20	30		EFEDHP
C[C@H]1C[C@H]([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)CCN1	ZINC001246443375	1314630310	/nfs/dbraw/zinc/63/03/10/1314630310.db2.gz	SJMGWABCKWSIDV-MVJPYGJCSA-N	2	3	326.488	2.771	20	30		EFEDHP
C[C@@H]1C[C@H]([N@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)CCN1	ZINC001246443373	1314629816	/nfs/dbraw/zinc/62/98/16/1314629816.db2.gz	SJMGWABCKWSIDV-HUYLIWGRSA-N	2	3	326.488	2.771	20	30		EFEDHP
C[C@@H]1C[C@H]([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)CCN1	ZINC001246443373	1314629820	/nfs/dbraw/zinc/62/98/20/1314629820.db2.gz	SJMGWABCKWSIDV-HUYLIWGRSA-N	2	3	326.488	2.771	20	30		EFEDHP
C[C@H]1C[C@@H]([N@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)CCN1	ZINC001246443374	1314630206	/nfs/dbraw/zinc/63/02/06/1314630206.db2.gz	SJMGWABCKWSIDV-KNTRFNDTSA-N	2	3	326.488	2.771	20	30		EFEDHP
C[C@H]1C[C@@H]([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)CCN1	ZINC001246443374	1314630211	/nfs/dbraw/zinc/63/02/11/1314630211.db2.gz	SJMGWABCKWSIDV-KNTRFNDTSA-N	2	3	326.488	2.771	20	30		EFEDHP
C[C@H]1C[C@H]([N@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)CCN1	ZINC001246444877	1314630226	/nfs/dbraw/zinc/63/02/26/1314630226.db2.gz	ZIOJRCLQVXXERG-MVJPYGJCSA-N	2	3	326.488	2.771	20	30		EFEDHP
C[C@H]1C[C@H]([N@@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)CCN1	ZINC001246444877	1314630228	/nfs/dbraw/zinc/63/02/28/1314630228.db2.gz	ZIOJRCLQVXXERG-MVJPYGJCSA-N	2	3	326.488	2.771	20	30		EFEDHP