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-])c1cnc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1C1C[NH2+]C1	ZINC001164623402	719114206	/nfs/dbraw/zinc/11/42/06/719114206.db2.gz	CVQFUVBWVPAERJ-APWZRJJASA-N	2	0	394.479	2.172	20	5		GEBDRP
COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1c(Br)cccc1[N+](=O)[O-])C2	ZINC000903978487	654293977	/nfs/dbraw/zinc/29/39/77/654293977.db2.gz	HBTMYGRZAXTRQA-USBNGQNGSA-N	2	0	398.257	2.070	20	5		GEBDRP
C[C@H](C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)CN1CC[NH+](C)CC1	ZINC000602542385	653189358	/nfs/dbraw/zinc/18/93/58/653189358.db2.gz	WPFBKPZBSPKMQA-LLVKDONJSA-N	2	0	391.335	2.392	20	5		GEBDRP
O=[N+]([O-])c1cnc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1C1C[NH2+]C1	ZINC001164623406	719113770	/nfs/dbraw/zinc/11/37/70/719113770.db2.gz	CVQFUVBWVPAERJ-VQIMIIECSA-N	2	0	394.479	2.172	20	5		GEBDRP
COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1cc([N+](=O)[O-])ccc1Br)C2	ZINC000923429221	654452224	/nfs/dbraw/zinc/45/22/24/654452224.db2.gz	ROFGDTQSXKPXEL-OZVIIMIRSA-N	2	0	398.257	2.070	20	5		GEBDRP
O=[N+]([O-])c1cnc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1C1C[NH2+]C1	ZINC001164623404	719114829	/nfs/dbraw/zinc/11/48/29/719114829.db2.gz	CVQFUVBWVPAERJ-QFBILLFUSA-N	2	0	394.479	2.172	20	5		GEBDRP
C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(Br)c([N+](=O)[O-])c1	ZINC000278532962	532384155	/nfs/dbraw/zinc/38/41/55/532384155.db2.gz	FJDXRMDWTPKVTH-UHFFFAOYSA-N	2	0	385.306	2.427	20	5		GEBDRP
C[C@@H](C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)CN1CC[NH+](C)CC1	ZINC000602542386	653189532	/nfs/dbraw/zinc/18/95/32/653189532.db2.gz	WPFBKPZBSPKMQA-NSHDSACASA-N	2	0	391.335	2.392	20	5		GEBDRP
O=[N+]([O-])c1cnc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1C1C[NH2+]C1	ZINC001164623403	719114571	/nfs/dbraw/zinc/11/45/71/719114571.db2.gz	CVQFUVBWVPAERJ-LPHOPBHVSA-N	2	0	394.479	2.172	20	5		GEBDRP
C[NH+](C)CCCN(CCC[NH+](C)C)c1ncc([N+](=O)[O-])cc1Br	ZINC000176668860	532144539	/nfs/dbraw/zinc/14/45/39/532144539.db2.gz	XOGGNOVAMBYOPC-UHFFFAOYSA-N	2	0	388.310	2.462	20	5		GEBDRP
C[NH+]1CCN(CCC[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CC1	ZINC000602592047	653192880	/nfs/dbraw/zinc/19/28/80/653192880.db2.gz	HIBIHTIBFXUNMH-UHFFFAOYSA-N	2	0	377.308	2.146	20	5		GEBDRP