smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@@H+](Cc1ccc(C#CC(C)(C)O)cc1)CC1CCN(CCc2ccc(Cl)cc2)CC1	ZINC000012022615	569303592	/nfs/dbraw/zinc/30/35/92/569303592.db2.gz	DQUBQKIXZQCJPO-UHFFFAOYSA-N	1	3	439.043	4.849	50	30		IJEAHO
C[N@H+](Cc1ccc(C#CC(C)(C)O)cc1)CC1CCN(CCc2ccc(Cl)cc2)CC1	ZINC000012022615	569303593	/nfs/dbraw/zinc/30/35/93/569303593.db2.gz	DQUBQKIXZQCJPO-UHFFFAOYSA-N	1	3	439.043	4.849	50	30		IJEAHO
CCN(Cc1ccc(C#CC(C)(C)O)cc1)C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1	ZINC000055225997	521296035	/nfs/dbraw/zinc/29/60/35/521296035.db2.gz	DXRBVRPPHGJWOP-HHHXNRCGSA-N	1	3	448.651	4.594	50	30		IJEAHO
CCN(Cc1ccc(C#CC(C)(C)O)cc1)C[C@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1	ZINC000055225997	521296044	/nfs/dbraw/zinc/29/60/44/521296044.db2.gz	DXRBVRPPHGJWOP-HHHXNRCGSA-N	1	3	448.651	4.594	50	30		IJEAHO
CCN(CC)c1ccc(/C=N/N(C)CCN(C)/[NH+]=C/c2ccc(N(CC)CC)cc2)cc1	ZINC000004676365	556872809	/nfs/dbraw/zinc/87/28/09/556872809.db2.gz	HHQKHCBLIXHWBX-GPAWKIAZSA-N	1	3	436.648	4.611	50	30		IJEAHO
CCN(Cc1ccc(C#CC(C)(C)O)cc1)C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1	ZINC000055225993	521296686	/nfs/dbraw/zinc/29/66/86/521296686.db2.gz	DXRBVRPPHGJWOP-MHZLTWQESA-N	1	3	448.651	4.594	50	30		IJEAHO
CCN(Cc1ccc(C#CC(C)(C)O)cc1)C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1	ZINC000055225993	521296689	/nfs/dbraw/zinc/29/66/89/521296689.db2.gz	DXRBVRPPHGJWOP-MHZLTWQESA-N	1	3	448.651	4.594	50	30		IJEAHO