smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1CCC[C@H](C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)C1	ZINC000554978086	564780272	/nfs/dbraw/zinc/78/02/72/564780272.db2.gz	FQNBLLBJPIROTA-LLVKDONJSA-N	1	3	389.237	2.631	20	5		GFBDHO
C[N@H+]1CC=C(CNCc2cc(I)cc([N+](=O)[O-])c2)CC1	ZINC000289498415	563676561	/nfs/dbraw/zinc/67/65/61/563676561.db2.gz	LTVTZGGNSAZCTN-UHFFFAOYSA-N	1	3	387.221	2.551	20	5		GFBDHO
C[N@@H+]1CC=C(CNCc2cc(I)cc([N+](=O)[O-])c2)CC1	ZINC000289498415	563676562	/nfs/dbraw/zinc/67/65/62/563676562.db2.gz	LTVTZGGNSAZCTN-UHFFFAOYSA-N	1	3	387.221	2.551	20	5		GFBDHO
CN(CCCN(C)Cc1ccc(Br)cc1[N+](=O)[O-])CC[NH+](C)C	ZINC000425458519	563423752	/nfs/dbraw/zinc/42/37/52/563423752.db2.gz	MWITUGJBZSDNPD-UHFFFAOYSA-N	1	3	387.322	2.673	20	5		GFBDHO
C[NH+]1CCC(CNCc2cc(I)cc([N+](=O)[O-])c2)CC1	ZINC000554978901	564779822	/nfs/dbraw/zinc/77/98/22/564779822.db2.gz	PUMHDZWHBGNGBU-UHFFFAOYSA-N	1	3	389.237	2.631	20	5		GFBDHO
[NH3+]C1CC2CCCC(C1)C2NC(=O)Cc1ccc([N+](=O)[O-])cc1Br	ZINC000261600249	553153891	/nfs/dbraw/zinc/15/38/91/553153891.db2.gz	BEEGASBGHZDODW-JPZVUWATSA-N	1	3	396.285	2.922	20	5		GFBDHO
CN1CCC[C@@H](C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)C1	ZINC000554978087	564780094	/nfs/dbraw/zinc/78/00/94/564780094.db2.gz	FQNBLLBJPIROTA-NSHDSACASA-N	1	3	389.237	2.631	20	5		GFBDHO
CN(C)CC[N@H+](C)CCCN(C)Cc1ccc(Br)c([N+](=O)[O-])c1	ZINC000808781407	659905734	/nfs/dbraw/zinc/90/57/34/659905734.db2.gz	DZFNYKFKRKBCEW-UHFFFAOYSA-N	1	3	387.322	2.673	20	5		GFBDHO
CN(C)CC[N@@H+](C)CCCN(C)Cc1ccc(Br)c([N+](=O)[O-])c1	ZINC000808781407	659905737	/nfs/dbraw/zinc/90/57/37/659905737.db2.gz	DZFNYKFKRKBCEW-UHFFFAOYSA-N	1	3	387.322	2.673	20	5		GFBDHO
CN(CCN(C)C1CC[NH+](C)CC1)Cc1ccc(Br)c([N+](=O)[O-])c1	ZINC000283293576	563440849	/nfs/dbraw/zinc/44/08/49/563440849.db2.gz	YAWNTBAFXGZOJT-UHFFFAOYSA-N	1	3	399.333	2.815	20	5		GFBDHO
CN1CCC[N@H+](CCCNCc2cc(Br)c([N+](=O)[O-])s2)CC1	ZINC000894374949	663458996	/nfs/dbraw/zinc/45/89/96/663458996.db2.gz	HNKNJSGLZRYJCD-UHFFFAOYSA-N	1	3	391.335	2.536	20	5		GFBDHO
CN1CCC[N@@H+](CCCNCc2cc(Br)c([N+](=O)[O-])s2)CC1	ZINC000894374949	663458997	/nfs/dbraw/zinc/45/89/97/663458997.db2.gz	HNKNJSGLZRYJCD-UHFFFAOYSA-N	1	3	391.335	2.536	20	5		GFBDHO
C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-]	ZINC000855346950	661987372	/nfs/dbraw/zinc/98/73/72/661987372.db2.gz	PQBGWTYIOYNRCK-NSHDSACASA-N	1	3	391.299	2.903	20	5		GFBDHO
C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-]	ZINC000855346950	661987378	/nfs/dbraw/zinc/98/73/78/661987378.db2.gz	PQBGWTYIOYNRCK-NSHDSACASA-N	1	3	391.299	2.903	20	5		GFBDHO