smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccc(NC[C@@H]2CC[N@@H+](CCOc3ccccc3[N+](=O)[O-])C2)[nH+]1	ZINC000171648756	495969290	/nfs/dbraw/zinc/96/92/90/495969290.db2.gz	KVTZWZZIOHHRBK-INIZCTEOSA-N	2	1	356.426	3.111	10	5		FGBEMP
Cc1cccc(NC[C@H]2CC[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)[nH+]1	ZINC000171648505	495969156	/nfs/dbraw/zinc/96/91/56/495969156.db2.gz	UQIFYAOUWSRKEL-MRXNPFEDSA-N	2	1	356.426	3.111	10	5		FGBEMP
Cc1cccc(NC[C@H]2CC[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C2)[nH+]1	ZINC000171649436	495968589	/nfs/dbraw/zinc/96/85/89/495968589.db2.gz	WDMQVMONJJEMQK-MRXNPFEDSA-N	2	1	356.426	3.111	10	5		FGBEMP
CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1	ZINC000261713699	497438623	/nfs/dbraw/zinc/43/86/23/497438623.db2.gz	KQOQJYMQTHJOSN-MJGOQNOKSA-N	2	1	355.438	3.168	10	5		FGBEMP
CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1	ZINC000261713699	497438626	/nfs/dbraw/zinc/43/86/26/497438626.db2.gz	KQOQJYMQTHJOSN-MJGOQNOKSA-N	2	1	355.438	3.168	10	5		FGBEMP
CC(C)c1ccc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1[N+](=O)[O-]	ZINC000179516685	495624870	/nfs/dbraw/zinc/62/48/70/495624870.db2.gz	OSIOQIVTWXBBBI-INIZCTEOSA-N	2	1	363.502	3.243	10	5		FGBEMP
CC(C)c1ccc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1[N+](=O)[O-]	ZINC000179516678	495624910	/nfs/dbraw/zinc/62/49/10/495624910.db2.gz	OSIOQIVTWXBBBI-MRXNPFEDSA-N	2	1	363.502	3.243	10	5		FGBEMP
Cc1cccc(NC[C@@H]2CC[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)[nH+]1	ZINC000171648499	495969086	/nfs/dbraw/zinc/96/90/86/495969086.db2.gz	UQIFYAOUWSRKEL-INIZCTEOSA-N	2	1	356.426	3.111	10	5		FGBEMP
Cc1cccc(NC[C@@H]2CC[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C2)[nH+]1	ZINC000171649430	495968396	/nfs/dbraw/zinc/96/83/96/495968396.db2.gz	WDMQVMONJJEMQK-INIZCTEOSA-N	2	1	356.426	3.111	10	5		FGBEMP
Cc1cccc(NC[C@H]2CC[N@@H+](CCOc3ccccc3[N+](=O)[O-])C2)[nH+]1	ZINC000171648762	495968232	/nfs/dbraw/zinc/96/82/32/495968232.db2.gz	KVTZWZZIOHHRBK-MRXNPFEDSA-N	2	1	356.426	3.111	10	5		FGBEMP