smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1	160597459	344170926	/nfs/dbraw/zinc/17/09/26/344170926.db2.gz	ASVTXWOJGPSUGA-YUMQZZPRSA-N	2	2	186.255	-0.172	20	70		ABIDLP
COC(=O)C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1	160597459	344170927	/nfs/dbraw/zinc/17/09/27/344170927.db2.gz	ASVTXWOJGPSUGA-YUMQZZPRSA-N	2	2	186.255	-0.172	20	70		ABIDLP
COC(=O)C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1	160597370	344170933	/nfs/dbraw/zinc/17/09/33/344170933.db2.gz	ASVTXWOJGPSUGA-HTQZYQBOSA-N	2	2	186.255	-0.172	20	70		ABIDLP
COC(=O)C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1	160597370	344170934	/nfs/dbraw/zinc/17/09/34/344170934.db2.gz	ASVTXWOJGPSUGA-HTQZYQBOSA-N	2	2	186.255	-0.172	20	70		ABIDLP
COC(=O)C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1	160597269	344170962	/nfs/dbraw/zinc/17/09/62/344170962.db2.gz	ASVTXWOJGPSUGA-JGVFFNPUSA-N	2	2	186.255	-0.172	20	70		ABIDLP
COC(=O)C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1	160597269	344170963	/nfs/dbraw/zinc/17/09/63/344170963.db2.gz	ASVTXWOJGPSUGA-JGVFFNPUSA-N	2	2	186.255	-0.172	20	70		ABIDLP
COC(=O)C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1	160597549	344171065	/nfs/dbraw/zinc/17/10/65/344171065.db2.gz	ASVTXWOJGPSUGA-SFYZADRCSA-N	2	2	186.255	-0.172	20	70		ABIDLP
COC(=O)C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1	160597549	344171067	/nfs/dbraw/zinc/17/10/67/344171067.db2.gz	ASVTXWOJGPSUGA-SFYZADRCSA-N	2	2	186.255	-0.172	20	70		ABIDLP
C[C@@H](CC(N)=O)[NH2+]CC[NH+]1CCCC1	218618699	344414385	/nfs/dbraw/zinc/41/43/85/344414385.db2.gz	XFBRNDCODPIDJJ-VIFPVBQESA-N	2	2	199.298	-0.064	20	70		ABIDLP
C[C@H](CC(N)=O)[NH2+]CC[NH+]1CCCC1	218618782	344414431	/nfs/dbraw/zinc/41/44/31/344414431.db2.gz	XFBRNDCODPIDJJ-SECBINFHSA-N	2	2	199.298	-0.064	20	70		ABIDLP
CC[N@H+](CC[NH2+]CCC(N)=O)C1CC1	218364484	409513737	/nfs/dbraw/zinc/51/37/37/409513737.db2.gz	XMMPDSPJOHWMKR-UHFFFAOYSA-N	2	2	199.298	-0.064	20	70		ABIDLP
CC[N@@H+](CC[NH2+]CCC(N)=O)C1CC1	218364484	409513742	/nfs/dbraw/zinc/51/37/42/409513742.db2.gz	XMMPDSPJOHWMKR-UHFFFAOYSA-N	2	2	199.298	-0.064	20	70		ABIDLP
C[C@H](C[NH2+]CCC(N)=O)[N@H+](C)C1CC1	218641834	409513863	/nfs/dbraw/zinc/51/38/63/409513863.db2.gz	XIVZYGSJCKDHOI-MRVPVSSYSA-N	2	2	199.298	-0.066	20	70		ABIDLP
C[C@H](C[NH2+]CCC(N)=O)[N@@H+](C)C1CC1	218641834	409513867	/nfs/dbraw/zinc/51/38/67/409513867.db2.gz	XIVZYGSJCKDHOI-MRVPVSSYSA-N	2	2	199.298	-0.066	20	70		ABIDLP
C[C@@H](C[NH2+]CCC(N)=O)[N@H+](C)C1CC1	218641757	409514465	/nfs/dbraw/zinc/51/44/65/409514465.db2.gz	XIVZYGSJCKDHOI-QMMMGPOBSA-N	2	2	199.298	-0.066	20	70		ABIDLP
C[C@@H](C[NH2+]CCC(N)=O)[N@@H+](C)C1CC1	218641757	409514469	/nfs/dbraw/zinc/51/44/69/409514469.db2.gz	XIVZYGSJCKDHOI-QMMMGPOBSA-N	2	2	199.298	-0.066	20	70		ABIDLP