smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCC(O)(CC=C)C[NH2+]Cc1ccc(OC[C@@H](O)CN2CCCCC2)cc1	ZINC000011998558	518688975	/nfs/dbraw/zinc/68/89/75/518688975.db2.gz	TVFLOQAQDOKMFD-NRFANRHFSA-N	1	3	388.552	2.885	50	30		GFEAHO
Cc1ccc(C2(CN3CCN(c4ccccc4C#N)CC3)CC[NH2+]CC2)nc1	ZINC000065492433	136164038	/nfs/dbraw/zinc/16/40/38/136164038.db2.gz	BGZSOGDESGRJOX-UHFFFAOYSA-N	1	3	375.520	2.705	50	30		GFEAHO
CCN(CC)CCn1c(N)[n+](CC(=O)c2ccc(OC)cc2)c2ccccc21	ZINC000100855228	520713438	/nfs/dbraw/zinc/71/34/38/520713438.db2.gz	NKBJJTOKVOASSW-UHFFFAOYSA-O	1	3	381.500	2.744	50	30		GFEAHO
C=CCC(O)(CC=C)C[NH2+]Cc1ccc(OC[C@H](O)CN2CCCCC2)cc1	ZINC000011998554	518688666	/nfs/dbraw/zinc/68/86/66/518688666.db2.gz	TVFLOQAQDOKMFD-OAQYLSRUSA-N	1	3	388.552	2.885	50	30		GFEAHO
Cc1nc(-c2c(O)cn(C3CC[NH+](Cc4ccccc4)CC3)c2N)sc1C	ZINC000013691585	526770653	/nfs/dbraw/zinc/77/06/53/526770653.db2.gz	BMINPPJXJRFCLP-UHFFFAOYSA-N	1	3	382.533	2.937	50	30		GFEAHO
C[N@H+](CCn1cc(O)c(-c2nc3ccccc3s2)c1N)Cc1ccccc1	ZINC000064838148	522823507	/nfs/dbraw/zinc/82/35/07/522823507.db2.gz	WUCHEWWGUWKRBR-UHFFFAOYSA-N	1	3	378.501	2.940	50	30		GFEAHO
C[N@@H+](CCn1cc(O)c(-c2nc3ccccc3s2)c1N)Cc1ccccc1	ZINC000064838148	522823512	/nfs/dbraw/zinc/82/35/12/522823512.db2.gz	WUCHEWWGUWKRBR-UHFFFAOYSA-N	1	3	378.501	2.940	50	30		GFEAHO