smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(N)=O	ZINC000003924034	552422618	/nfs/dbraw/zinc/42/26/18/552422618.db2.gz	MMHDBUJXLOFTLC-WOYTXXSLSA-N	1	2	597.655	-4.815	40	30		KAEBLO
CC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(N)=O	ZINC000003924034	552422614	/nfs/dbraw/zinc/42/26/14/552422614.db2.gz	MMHDBUJXLOFTLC-WOYTXXSLSA-N	1	2	597.655	-4.815	40	30		KAEBLO
COCC(=O)N1CCN2C[C@H]1C(=O)NC[C@H]1O[C@@H](CC(=O)N[C@H]3C[C@@H](C2=O)[N@@H+](Cc2ccc(C#N)cc2)C3)[C@H](O)[C@@H]1O	ZINC000097976462	553970234	/nfs/dbraw/zinc/97/02/34/553970234.db2.gz	DLNWFESRTQYXQO-AVLDEFEFSA-N	1	2	584.630	-2.688	40	30		KAEBLO
COCC(=O)N1CCN2C[C@H]1C(=O)NC[C@H]1O[C@@H](CC(=O)N[C@H]3C[C@@H](C2=O)[N@H+](Cc2ccc(C#N)cc2)C3)[C@H](O)[C@@H]1O	ZINC000097976462	553970232	/nfs/dbraw/zinc/97/02/32/553970232.db2.gz	DLNWFESRTQYXQO-AVLDEFEFSA-N	1	2	584.630	-2.688	40	30		KAEBLO
CC(=O)N1C[C@H]2O[C@@H](CC(=O)N[C@H]3C[C@@H](C(=O)N4CCO[C@H](C1)C4)[N@@H+](Cc1ccc(C#N)cc1)C3)[C@H](O)[C@@H]2O	ZINC000097976495	553970299	/nfs/dbraw/zinc/97/02/99/553970299.db2.gz	KODZHGKOGYXPFO-LOIFCEGPSA-N	1	2	541.605	-1.414	40	30		KAEBLO
CC(=O)N1C[C@H]2O[C@@H](CC(=O)N[C@H]3C[C@@H](C(=O)N4CCO[C@H](C1)C4)[N@H+](Cc1ccc(C#N)cc1)C3)[C@H](O)[C@@H]2O	ZINC000097976495	553970298	/nfs/dbraw/zinc/97/02/98/553970298.db2.gz	KODZHGKOGYXPFO-LOIFCEGPSA-N	1	2	541.605	-1.414	40	30		KAEBLO
CS(=O)(=O)N1C[C@H]2O[C@@H](CC(=O)N[C@H]3C[C@@H](C(=O)N4CCO[C@H](C1)C4)[N@@H+](Cc1ccc(C#N)cc1)C3)[C@H](O)[C@@H]2O	ZINC000097976575	553971338	/nfs/dbraw/zinc/97/13/38/553971338.db2.gz	HMKSZFOJOIUFNO-BLZXGSKESA-N	1	2	577.660	-2.001	40	30		KAEBLO
CS(=O)(=O)N1C[C@H]2O[C@@H](CC(=O)N[C@H]3C[C@@H](C(=O)N4CCO[C@H](C1)C4)[N@H+](Cc1ccc(C#N)cc1)C3)[C@H](O)[C@@H]2O	ZINC000097976575	553971334	/nfs/dbraw/zinc/97/13/34/553971334.db2.gz	HMKSZFOJOIUFNO-BLZXGSKESA-N	1	2	577.660	-2.001	40	30		KAEBLO