smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(/C=C2/C(=O)[N-]C(=O)c3ccccc32)cc([N+](=O)[O-])c1[O-]	ZINC000045528989	462594380	/nfs/dbraw/zinc/59/43/80/462594380.db2.gz	CIHATGWPTBXBQY-WUXMJOGZSA-N	-2	3	340.291	2.120	40	5		EEBBHL
COc1cccc([C@@H](N)c2nc(-c3cc([N+](=O)[O-])ccc3[O-])n[n-]2)c1	ZINC000095533619	463106589	/nfs/dbraw/zinc/10/65/89/463106589.db2.gz	SJLIDLJKKWSYNV-CQSZACIVSA-N	-2	3	341.327	2.142	40	5		EEBBHL
O=C([O-])c1cc(OCc2ccc([N+](=O)[O-])cc2)cc([N+](=O)[O-])c1[O-]	ZINC000216932317	241224783	/nfs/dbraw/zinc/22/47/83/241224783.db2.gz	BBDCBGQKSXPJBK-UHFFFAOYSA-N	-2	3	334.240	2.486	40	5		EEBBHL
N[C@@H](Cc1ccccc1)c1nc(-c2cc([N+](=O)[O-])ccc2[O-])n[n-]1	ZINC000095534926	463109258	/nfs/dbraw/zinc/10/92/58/463109258.db2.gz	OECVWHJTMOHERB-ZDUSSCGKSA-N	-2	3	325.328	2.328	40	5		EEBBHL
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2c([O-])ccc3ccccc32)[nH]1	ZINC000016855524	462991645	/nfs/dbraw/zinc/99/16/45/462991645.db2.gz	BGMPGFDDSDQTFD-VOTSOKGWSA-N	-2	3	325.280	2.413	40	5		EEBBHL
N[C@H](Cc1ccccc1)c1nc(-c2cc([N+](=O)[O-])ccc2[O-])n[n-]1	ZINC000095534927	463108581	/nfs/dbraw/zinc/10/85/81/463108581.db2.gz	OECVWHJTMOHERB-CYBMUJFWSA-N	-2	3	325.328	2.328	40	5		EEBBHL
O=c1nc(C=Cc2cc(Cl)cc(Cl)c2[O-])c([N+](=O)[O-])c([O-])[n-]1	ZINC000006452809	462686806	/nfs/dbraw/zinc/68/68/06/462686806.db2.gz	OEHPQNDZBHJRBE-OWOJBTEDSA-N	-3	3	344.110	2.154	40	5		EEBBHL
N[C@@H](c1nc(-c2cc([N+](=O)[O-])ccc2[O-])n[n-]1)c1ccc(F)cc1	ZINC000095533353	279667507	/nfs/dbraw/zinc/66/75/07/279667507.db2.gz	NERDTPXOVZNQGF-CYBMUJFWSA-N	-2	3	329.291	2.273	40	5		EEBBHL
O=C(c1ccc([O-])cc1[O-])c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000043450419	284664158	/nfs/dbraw/zinc/66/41/58/284664158.db2.gz	HKDQDHNTRCZHQR-UHFFFAOYSA-N	-2	3	349.211	2.053	40	5		EEBBHL
O=c1nc(C=Cc2ccccc2C(F)(F)F)c([N+](=O)[O-])c([O-])[n-]1	ZINC000006322784	462681745	/nfs/dbraw/zinc/68/17/45/462681745.db2.gz	QBNAZRHCNUYBHJ-AATRIKPKSA-N	-2	3	327.218	2.161	40	5		EEBBHL
Cc1ccc([C@@H](N)c2nc(-c3cc([N+](=O)[O-])ccc3[O-])n[n-]2)cc1	ZINC000095534187	463106419	/nfs/dbraw/zinc/10/64/19/463106419.db2.gz	BVFPYUMGGHCWJV-CQSZACIVSA-N	-2	3	325.328	2.442	40	5		EEBBHL
COc1ccc([C@H](N)c2nc(-c3cc([N+](=O)[O-])ccc3[O-])n[n-]2)cc1	ZINC000095533760	463107765	/nfs/dbraw/zinc/10/77/65/463107765.db2.gz	WONXYPBGJVOSAS-AWEZNQCLSA-N	-2	3	341.327	2.142	40	5		EEBBHL
N[C@H](c1nc(-c2cc([N+](=O)[O-])ccc2[O-])n[n-]1)c1ccc(F)cc1	ZINC000095533352	463107793	/nfs/dbraw/zinc/10/77/93/463107793.db2.gz	NERDTPXOVZNQGF-ZDUSSCGKSA-N	-2	3	329.291	2.273	40	5		EEBBHL
COc1cccc([C@H](N)c2nc(-c3cc([N+](=O)[O-])ccc3[O-])n[n-]2)c1	ZINC000095533618	463107152	/nfs/dbraw/zinc/10/71/52/463107152.db2.gz	SJLIDLJKKWSYNV-AWEZNQCLSA-N	-2	3	341.327	2.142	40	5		EEBBHL
Cc1ccc([C@H](N)c2nc(-c3cc([N+](=O)[O-])ccc3[O-])n[n-]2)cc1	ZINC000095534186	463107815	/nfs/dbraw/zinc/10/78/15/463107815.db2.gz	BVFPYUMGGHCWJV-AWEZNQCLSA-N	-2	3	325.328	2.442	40	5		EEBBHL
COc1ccc([C@@H](N)c2nc(-c3cc([N+](=O)[O-])ccc3[O-])n[n-]2)cc1	ZINC000095533761	463106876	/nfs/dbraw/zinc/10/68/76/463106876.db2.gz	WONXYPBGJVOSAS-CQSZACIVSA-N	-2	3	341.327	2.142	40	5		EEBBHL
CCc1nc(SC(=Cc2cc([N+](=O)[O-])ccc2[O-])C(=O)[O-])n[n-]1	ZINC000038419927	463445817	/nfs/dbraw/zinc/44/58/17/463445817.db2.gz	BMAUVEMSWBBQNK-POHAHGRESA-N	-3	3	336.329	2.199	40	5		EEBBHL