smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NCC(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000004545953	207027140	/nfs/dbraw/zinc/02/71/40/207027140.db2.gz	AZZRYXNWFZSSTO-LLVKDONJSA-N	1	1	351.367	-0.760	50	5		FBBAMO
NCC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000004545954	483469336	/nfs/dbraw/zinc/46/93/36/483469336.db2.gz	AZZRYXNWFZSSTO-NSHDSACASA-N	1	1	351.367	-0.760	50	5		FBBAMO
CC[NH+]1CCN(c2nc(N3CCN(C)CC3)nc(N)c2[N+](=O)[O-])CC1	ZINC000005025762	483885403	/nfs/dbraw/zinc/88/54/03/483885403.db2.gz	WCYOMIGBQJFLOG-UHFFFAOYSA-N	1	1	350.427	-0.139	50	5		FBBAMO
CC[NH+]1CCN(c2nc(N)c([N+](=O)[O-])c(N3CCN(C)CC3)n2)CC1	ZINC000005030823	483886032	/nfs/dbraw/zinc/88/60/32/483886032.db2.gz	WEHGXXUDMPWQHR-UHFFFAOYSA-N	1	1	350.427	-0.139	50	5		FBBAMO
C[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)NC(=O)NC3=O)[C@@H]2C1	ZINC000016993809	484012009	/nfs/dbraw/zinc/01/20/09/484012009.db2.gz	GVWUKQWJJQFUGC-LBPRGKRZSA-N	1	1	359.342	-0.376	50	5		FBBAMO
C[NH+]1CCN(c2nc(NCCN3CCOCC3)nc(N)c2[N+](=O)[O-])CC1	ZINC000020394278	523928207	/nfs/dbraw/zinc/92/82/07/523928207.db2.gz	WMMYULWNIJAKNU-UHFFFAOYSA-N	1	1	366.426	-0.537	50	5		FBBAMO
O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+](CCO)CCN2CCOCC2)c1	ZINC000072314199	483653057	/nfs/dbraw/zinc/65/30/57/483653057.db2.gz	OWNQHYYFJVRFEI-MRXNPFEDSA-N	1	1	369.418	-0.039	50	5		FBBAMO
O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+](CCO)CCN2CCOCC2)c1	ZINC000072314200	483653076	/nfs/dbraw/zinc/65/30/76/483653076.db2.gz	OWNQHYYFJVRFEI-INIZCTEOSA-N	1	1	369.418	-0.039	50	5		FBBAMO