smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1C[N@H+](Cc1ccccc1O)CC2=O)NCC[NH+]1CCCC1	ZINC000253399239	572284745	/nfs/dbraw/zinc/28/47/45/572284745.db2.gz	IQCWDWUWGNMBOD-AFXSQNOISA-N	2	1	546.712	3.410	40	10		KGCBMP
O=C(C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1C[N@@H+](Cc1ccccc1O)CC2=O)NCC[NH+]1CCCC1	ZINC000253399239	572284744	/nfs/dbraw/zinc/28/47/44/572284744.db2.gz	IQCWDWUWGNMBOD-AFXSQNOISA-N	2	1	546.712	3.410	40	10		KGCBMP
[NH3+]CCC[NH2+]CCCC[NH2+]CCCNCCOc1ccc(/N=N/c2ccc(OCCN3C(=O)C=CC3=O)cc2)cc1	ZINC000585150706	1059086201	/nfs/dbraw/zinc/08/62/01/1059086201.db2.gz	GASIJNRJXCZQHA-ULDVOPSXSA-N	3	1	565.719	3.073	40	10		KGCBMP
O=C(C[C@@H]1CCN2C[C@@H]1C=CCOc1ccccc1C[N@H+](Cc1ccccc1O)CC2=O)NCC[NH+]1CCCC1	ZINC000958317734	1060004150	/nfs/dbraw/zinc/00/41/50/1060004150.db2.gz	IQCWDWUWGNMBOD-UIOOFZCWSA-N	2	1	546.712	3.410	40	10		KGCBMP
O=C(C[C@@H]1CCN2C[C@@H]1C=CCOc1ccccc1C[N@@H+](Cc1ccccc1O)CC2=O)NCC[NH+]1CCCC1	ZINC000958317734	1060004127	/nfs/dbraw/zinc/00/41/27/1060004127.db2.gz	IQCWDWUWGNMBOD-UIOOFZCWSA-N	2	1	546.712	3.410	40	10		KGCBMP