smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H]3CCCN3C[C@H]2Cn2nnc3ccccc32)cc1	ZINC000245227952	569499574	/nfs/dbraw/zinc/49/95/74/569499574.db2.gz	ZSRJDIACGJLBGP-IRXDYDNUSA-N	0	3	442.501	1.877	40	5		IDBBHN
CC[C@@H](C(=O)NC1CCN(C)CC1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	ZINC000222548769	568652658	/nfs/dbraw/zinc/65/26/58/568652658.db2.gz	ZFDNIPRHYXDYTB-HNNXBMFYSA-N	0	3	428.511	1.358	40	5		IDBBHN
CC[C@H](C(=O)NC1CCN(C)CC1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	ZINC000222548839	568652705	/nfs/dbraw/zinc/65/27/05/568652705.db2.gz	ZFDNIPRHYXDYTB-OAHLLOKOSA-N	0	3	428.511	1.358	40	5		IDBBHN
COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NC1CCN(C)CC1)S(C)(=O)=O	ZINC000222371357	568640226	/nfs/dbraw/zinc/64/02/26/568640226.db2.gz	DJGXGTSVPPVFAZ-UHFFFAOYSA-N	0	3	428.511	1.360	40	5		IDBBHN
O=C1C[C@@H](NC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)C(=O)N1c1ccc2c(c1)OCO2	ZINC000100210043	557367850	/nfs/dbraw/zinc/36/78/50/557367850.db2.gz	YSNXEFYCNYWGIU-MRXNPFEDSA-N	0	3	439.428	1.609	40	5		IDBBHN
O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@H]3CCCN3C[C@H]2Cn2nnc3ccccc32)cc1	ZINC000036646008	569128484	/nfs/dbraw/zinc/12/84/84/569128484.db2.gz	ZSRJDIACGJLBGP-SJORKVTESA-N	0	3	442.501	1.877	40	5		IDBBHN
O=C1C[C@H](NC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)C(=O)N1c1ccc2c(c1)OCO2	ZINC000015022177	556488232	/nfs/dbraw/zinc/48/82/32/556488232.db2.gz	YSNXEFYCNYWGIU-INIZCTEOSA-N	0	3	439.428	1.609	40	5		IDBBHN
O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@H]3CCCN3C[C@@H]2Cn2nnc3ccccc32)cc1	ZINC000013566566	556697399	/nfs/dbraw/zinc/69/73/99/556697399.db2.gz	ZSRJDIACGJLBGP-IAGOWNOFSA-N	0	3	442.501	1.877	40	5		IDBBHN
CCOC(=O)c1c(C)n[nH]c1-n1ccc2nc3ccn(CCN(C)C)c(=O)c3cc2c1=O	ZINC000040399106	556641544	/nfs/dbraw/zinc/64/15/44/556641544.db2.gz	GHXBEEJNJHLLBW-UHFFFAOYSA-N	0	3	436.472	1.470	40	5		IDBBHN
O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H]3CCCN3C[C@@H]2Cn2nnc3ccccc32)cc1	ZINC000013566565	556697419	/nfs/dbraw/zinc/69/74/19/556697419.db2.gz	ZSRJDIACGJLBGP-DLBZAZTESA-N	0	3	442.501	1.877	40	5		IDBBHN