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@@H]1C[NH2+]CCN1c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-]	ZINC001165436145	792922723	/nfs/dbraw/zinc/92/27/23/792922723.db2.gz	IADROQSKPUVRCT-JTQLQIEISA-N	2	0	351.367	-1.254	20	5		FABDRP
COC(=O)[C@H]1C[NH2+]CCN1c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-]	ZINC001165436147	792923030	/nfs/dbraw/zinc/92/30/30/792923030.db2.gz	IADROQSKPUVRCT-SNVBAGLBSA-N	2	0	351.367	-1.254	20	5		FABDRP
COC(=O)[C@@H]1C[C@@H]([NH3+])CN1c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-]	ZINC001166962517	792926707	/nfs/dbraw/zinc/92/67/07/792926707.db2.gz	YWAJSMCROGIXBL-ZJUUUORDSA-N	2	0	351.367	-1.127	20	5		FABDRP
CS(=O)(=O)N(c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-])C1C[NH2+]C1	ZINC001166968282	792927415	/nfs/dbraw/zinc/92/74/15/792927415.db2.gz	UZMKZDCVLJUMQP-UHFFFAOYSA-N	2	0	357.396	-1.468	20	5		FABDRP