smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3ccc(C#CC(C)(C)O)cc3)C[C@@H]2CCO)CC1	ZINC000020776465	519670132	/nfs/dbraw/zinc/67/01/32/519670132.db2.gz	CYWFRRRHQIWAKA-VWLOTQADSA-N	2	1	427.633	2.550	50	30		IFEAMP
CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3ccc(C#CC(C)(C)O)cc3)C[C@H]2CCO)CC1	ZINC000104630099	568837339	/nfs/dbraw/zinc/83/73/39/568837339.db2.gz	CYWFRRRHQIWAKA-RUZDIDTESA-N	2	1	427.633	2.550	50	30		IFEAMP
CC(C)[NH+]1CCC(N2CC[N@H+](Cc3ccc(C#CC(C)(C)O)s3)C[C@@H]2CCO)CC1	ZINC000019223954	563022433	/nfs/dbraw/zinc/02/24/33/563022433.db2.gz	LAZBPLWNPOFVQD-NRFANRHFSA-N	2	1	433.662	2.612	50	30		IFEAMP
CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3ccc(C#CC(C)(C)O)s3)C[C@@H]2CCO)CC1	ZINC000019223954	563022435	/nfs/dbraw/zinc/02/24/35/563022435.db2.gz	LAZBPLWNPOFVQD-NRFANRHFSA-N	2	1	433.662	2.612	50	30		IFEAMP
C#CC[N@H+](Cc1cc(OC)ccc1OC[C@H](O)C[NH+]1CCC(O)CC1)C1CCCCC1	ZINC000055211654	518257320	/nfs/dbraw/zinc/25/73/20/518257320.db2.gz	LRRMNWZJTPEIEC-HSZRJFAPSA-N	2	1	430.589	2.660	50	30		IFEAMP
C#CC[N@H+](Cc1cc(OC)ccc1OC[C@@H](O)C[NH+]1CCC(O)CC1)C1CCCCC1	ZINC000055211655	518258912	/nfs/dbraw/zinc/25/89/12/518258912.db2.gz	LRRMNWZJTPEIEC-QHCPKHFHSA-N	2	1	430.589	2.660	50	30		IFEAMP