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(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1	ZINC000262413387	436933039	/nfs/dbraw/zinc/93/30/39/436933039.db2.gz	ZLSDLGJHIMOFKS-RISCZKNCSA-N	2	2	331.332	0.091	10	5		ECBELP
O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1	ZINC000246715468	436784348	/nfs/dbraw/zinc/78/43/48/436784348.db2.gz	KYRIPUQTGKAUJT-UKRRQHHQSA-N	2	2	346.391	0.981	10	5		ECBELP
O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1	ZINC000246715468	436784352	/nfs/dbraw/zinc/78/43/52/436784352.db2.gz	KYRIPUQTGKAUJT-UKRRQHHQSA-N	2	2	346.391	0.981	10	5		ECBELP
O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1	ZINC000246715447	436783869	/nfs/dbraw/zinc/78/38/69/436783869.db2.gz	KYRIPUQTGKAUJT-DZGCQCFKSA-N	2	2	346.391	0.981	10	5		ECBELP
O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1	ZINC000246715447	436783873	/nfs/dbraw/zinc/78/38/73/436783873.db2.gz	KYRIPUQTGKAUJT-DZGCQCFKSA-N	2	2	346.391	0.981	10	5		ECBELP
O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1	ZINC000174765893	231304188	/nfs/dbraw/zinc/30/41/88/231304188.db2.gz	KYRIPUQTGKAUJT-ZFWWWQNUSA-N	2	2	346.391	0.981	10	5		ECBELP
O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1	ZINC000174765893	231304191	/nfs/dbraw/zinc/30/41/91/231304191.db2.gz	KYRIPUQTGKAUJT-ZFWWWQNUSA-N	2	2	346.391	0.981	10	5		ECBELP
O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1	ZINC000262413388	320548364	/nfs/dbraw/zinc/54/83/64/320548364.db2.gz	ZLSDLGJHIMOFKS-SMDDNHRTSA-N	2	2	331.332	0.091	10	5		ECBELP
O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1	ZINC000262413386	436932564	/nfs/dbraw/zinc/93/25/64/436932564.db2.gz	ZLSDLGJHIMOFKS-FZMZJTMJSA-N	2	2	331.332	0.091	10	5		ECBELP
O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1	ZINC000174765903	231304140	/nfs/dbraw/zinc/30/41/40/231304140.db2.gz	KYRIPUQTGKAUJT-HIFRSBDPSA-N	2	2	346.391	0.981	10	5		ECBELP
O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1	ZINC000174765903	231304142	/nfs/dbraw/zinc/30/41/42/231304142.db2.gz	KYRIPUQTGKAUJT-HIFRSBDPSA-N	2	2	346.391	0.981	10	5		ECBELP
O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1	ZINC000262413385	545947939	/nfs/dbraw/zinc/94/79/39/545947939.db2.gz	ZLSDLGJHIMOFKS-BXUZGUMPSA-N	2	2	331.332	0.091	10	5		ECBELP