smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)c1[n-]n(-c2ccc([N+](=O)[O-])cc2)c2c(O)n(-c3cccc(Cl)c3C)c(=O)c1-2	ZINC000103769248	557441499	/nfs/dbraw/zinc/44/14/99/557441499.db2.gz	CNJHWVPMGDJLNI-FUHWJXTLSA-N	-1	1	426.816	2.880	40	5		IFBBMM
CCOC(=O)c1[n-]n(-c2ccc([N+](=O)[O-])cc2)c2c(O)n(-c3ccccc3Cl)c(=O)c1-2	ZINC000016682629	568937319	/nfs/dbraw/zinc/93/73/19/568937319.db2.gz	QLVUYWXSVLLTJQ-WBVHZDCISA-N	-1	1	442.815	2.546	40	5		IFBBMM
CCOC(=O)c1[n-]n(-c2ccc([N+](=O)[O-])cc2)c2c(O)n(-c3ccccc3Cl)c(=O)c1-2	ZINC000016682630	568937463	/nfs/dbraw/zinc/93/74/63/568937463.db2.gz	QLVUYWXSVLLTJQ-RDJZCZTQSA-N	-1	1	442.815	2.546	40	5		IFBBMM
CC[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])CC(=O)N2	ZINC000139115743	569138515	/nfs/dbraw/zinc/13/85/15/569138515.db2.gz	IYRIBJQGEJMMKT-CHWSQXEVSA-N	-1	1	440.460	2.512	40	5		IFBBMM
CC[C@H]1CCCCN1c1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])CC(=O)N2	ZINC000139115875	569138578	/nfs/dbraw/zinc/13/85/78/569138578.db2.gz	IYRIBJQGEJMMKT-QWHCGFSZSA-N	-1	1	440.460	2.512	40	5		IFBBMM
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCCC[C@H]3C)[n-]c(=O)c21	ZINC000253566645	569284273	/nfs/dbraw/zinc/28/42/73/569284273.db2.gz	JENKXOHFQZBZKO-TZMCWYRMSA-N	-1	1	440.460	2.842	40	5		IFBBMM
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCCC[C@H]3C)[n-]c(=O)c21	ZINC000253566644	569284321	/nfs/dbraw/zinc/28/43/21/569284321.db2.gz	JENKXOHFQZBZKO-OCCSQVGLSA-N	-1	1	440.460	2.842	40	5		IFBBMM
CC[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)N2	ZINC000040390473	569501130	/nfs/dbraw/zinc/50/11/30/569501130.db2.gz	CJOBDRHFBIITQY-HIFRSBDPSA-N	-1	1	440.460	2.512	40	5		IFBBMM
CC[C@H]1CCCCN1c1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])CC(=O)N2	ZINC000040390574	569501172	/nfs/dbraw/zinc/50/11/72/569501172.db2.gz	IYRIBJQGEJMMKT-STQMWFEESA-N	-1	1	440.460	2.512	40	5		IFBBMM
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)ccc1Oc1ncccc1[N+](=O)[O-]	ZINC000035198712	555994239	/nfs/dbraw/zinc/99/42/39/555994239.db2.gz	WFUKHAKGNDKKSJ-FNORWQNLSA-N	-1	1	427.329	2.658	40	5		IFBBMM
CN1C(=O)[N-]C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3[C@@H]2[C@@]2(C)C[C@@H]3CC(C)(C)C2)C1=O	ZINC000102792246	557388355	/nfs/dbraw/zinc/38/83/55/557388355.db2.gz	WOFRBXRXDAHTHO-LGAWVEOZSA-N	-1	1	426.473	2.619	40	5		IFBBMM
CC(=O)c1[n-]n(-c2ccccc2[N+](=O)[O-])c2c(O)n(-c3cccc(Cl)c3C)c(=O)c1-2	ZINC000103769292	557441421	/nfs/dbraw/zinc/44/14/21/557441421.db2.gz	OOYCQVXADWPACX-WMZOPIPTSA-N	-1	1	426.816	2.880	40	5		IFBBMM
CC[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)CC(=O)N2	ZINC000139111653	569138506	/nfs/dbraw/zinc/13/85/06/569138506.db2.gz	PRLYQHUUWUJINA-UKRRQHHQSA-N	-1	1	440.460	2.512	40	5		IFBBMM
CN1C(=O)[N-]C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3[C@H]4C[C@](C)(CC(C)(C)C4)[C@H]32)C1=O	ZINC000009122750	569293840	/nfs/dbraw/zinc/29/38/40/569293840.db2.gz	WOFRBXRXDAHTHO-FVMLFMEYSA-N	-1	1	426.473	2.619	40	5		IFBBMM
CC[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)CC(=O)N2	ZINC000040390509	569501158	/nfs/dbraw/zinc/50/11/58/569501158.db2.gz	PRLYQHUUWUJINA-HIFRSBDPSA-N	-1	1	440.460	2.512	40	5		IFBBMM
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)ccc1OCC(=O)N1CCC(C)CC1	ZINC000408605230	557421421	/nfs/dbraw/zinc/42/14/21/557421421.db2.gz	LBMUPLNFFKKNNX-GQCTYLIASA-N	-1	1	444.444	2.612	40	5		IFBBMM
Cc1ccc(Nc2nc3c(c(=O)[n-]2)[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)CC(=O)N3)cc1	ZINC000040400489	569501583	/nfs/dbraw/zinc/50/15/83/569501583.db2.gz	HVRUGPKJVTYOSP-OAHLLOKOSA-N	-1	1	434.412	2.795	40	5		IFBBMM
CN1C(=O)[N-]C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3[C@@H]2[C@@]2(C)C[C@@H]3CC(C)(C)C2)C1=O	ZINC000102792245	557388438	/nfs/dbraw/zinc/38/84/38/557388438.db2.gz	WOFRBXRXDAHTHO-HWQRQEAJSA-N	-1	1	426.473	2.619	40	5		IFBBMM
CCCc1nc(SC(=Cc2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)C(=O)[O-])n[nH]1	ZINC000408632605	557422679	/nfs/dbraw/zinc/42/26/79/557422679.db2.gz	RVKIGLWBPWWTBY-FOWTUZBSSA-N	-1	1	432.506	2.635	40	5		IFBBMM
CC(=O)c1[n-]n(-c2ccc([N+](=O)[O-])cc2)c2c(O)n(-c3cccc(Cl)c3C)c(=O)c1-2	ZINC000103769244	557441490	/nfs/dbraw/zinc/44/14/90/557441490.db2.gz	CNJHWVPMGDJLNI-AEFFLSMTSA-N	-1	1	426.816	2.880	40	5		IFBBMM
C[C@@H]1CCC[C@@H](C)N1c1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)CC(=O)N2	ZINC000038828494	569469092	/nfs/dbraw/zinc/46/90/92/569469092.db2.gz	VAFJVBLMCARFIL-JMSVASOKSA-N	-1	1	440.460	2.510	40	5		IFBBMM
Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4ccccc4)[n-]c(=O)c32)cc1[N+](=O)[O-]	ZINC000040399227	569501155	/nfs/dbraw/zinc/50/11/55/569501155.db2.gz	GUCKOSCRJKMBHL-CQSZACIVSA-N	-1	1	434.412	2.795	40	5		IFBBMM
Cc1ccc(Nc2nc3c(c(=O)[n-]2)[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)CC(=O)N3)cc1	ZINC000040400488	569501556	/nfs/dbraw/zinc/50/15/56/569501556.db2.gz	HVRUGPKJVTYOSP-HNNXBMFYSA-N	-1	1	434.412	2.795	40	5		IFBBMM
Cc1ccc(Nc2nc3c(c(=O)[n-]2)[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)CC(=O)N3)cc1	ZINC000040400484	569501620	/nfs/dbraw/zinc/50/16/20/569501620.db2.gz	HLMPNDDBVHXHEF-HNNXBMFYSA-N	-1	1	434.412	2.795	40	5		IFBBMM
Cc1ccc(Nc2nc3c(c(=O)[n-]2)[C@@H](C(=O)Nc2ccccc2[N+](=O)[O-])CC(=O)N3)cc1	ZINC000040400480	569501632	/nfs/dbraw/zinc/50/16/32/569501632.db2.gz	RJEAIQSHXUMIAS-ZDUSSCGKSA-N	-1	1	434.412	2.795	40	5		IFBBMM
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)c1	ZINC000040945823	569522602	/nfs/dbraw/zinc/52/26/02/569522602.db2.gz	GHEBIIQPSBNCPM-UHFFFAOYSA-N	-1	1	434.455	2.591	40	5		IFBBMM
COc1ccccc1NC(=O)COc1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)cc1	ZINC000409348287	557076224	/nfs/dbraw/zinc/07/62/24/557076224.db2.gz	RZQDWLRNQHLRMF-DHZHZOJOSA-N	-1	1	438.396	2.993	40	5		IFBBMM
CCOC(=O)c1[n-]n(-c2ccc([N+](=O)[O-])cc2)c2c(O)n(-c3ccccc3Cl)c(=O)c1-2	ZINC000100942492	557203162	/nfs/dbraw/zinc/20/31/62/557203162.db2.gz	QLVUYWXSVLLTJQ-NVXWUHKLSA-N	-1	1	442.815	2.546	40	5		IFBBMM
CC[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)N2	ZINC000139109297	569138509	/nfs/dbraw/zinc/13/85/09/569138509.db2.gz	CJOBDRHFBIITQY-UKRRQHHQSA-N	-1	1	440.460	2.512	40	5		IFBBMM
C[C@@H]1CCC[C@H](C)N1c1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)N2	ZINC000059816848	569249761	/nfs/dbraw/zinc/24/97/61/569249761.db2.gz	LCOBDVHVBIWIHU-TYNCELHUSA-N	-1	1	440.460	2.510	40	5		IFBBMM
CC(=O)c1[n-]n(-c2ccccc2[N+](=O)[O-])c2c(O)n(-c3cccc(Cl)c3C)c(=O)c1-2	ZINC000059416456	569461259	/nfs/dbraw/zinc/46/12/59/569461259.db2.gz	OOYCQVXADWPACX-SJLPKXTDSA-N	-1	1	426.816	2.880	40	5		IFBBMM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)Nc2cccnc2)cc1	ZINC000038771380	569469066	/nfs/dbraw/zinc/46/90/66/569469066.db2.gz	IBYSWFOZADZLKB-UHFFFAOYSA-N	-1	1	434.455	2.591	40	5		IFBBMM
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1	ZINC000003069529	569584229	/nfs/dbraw/zinc/58/42/29/569584229.db2.gz	UWYZUIDVKMGQJD-UHFFFAOYSA-N	-1	1	440.484	2.653	40	5		IFBBMM
Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCC[C@H]4C)[n-]c(=O)c32)cc1[N+](=O)[O-]	ZINC000253572495	569284280	/nfs/dbraw/zinc/28/42/80/569284280.db2.gz	QGFBQMYDZCAACH-OCCSQVGLSA-N	-1	1	440.460	2.842	40	5		IFBBMM
CN1C(=O)[N-]C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3[C@@H]4C[C@@](C)(CC(C)(C)C4)[C@H]32)C1=O	ZINC000009122749	569293795	/nfs/dbraw/zinc/29/37/95/569293795.db2.gz	WOFRBXRXDAHTHO-GYISASMLSA-N	-1	1	426.473	2.619	40	5		IFBBMM
C[C@H]1CCC[C@H](C)N1c1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)N2	ZINC000038828430	569469109	/nfs/dbraw/zinc/46/91/09/569469109.db2.gz	LCOBDVHVBIWIHU-HUBLWGQQSA-N	-1	1	440.460	2.510	40	5		IFBBMM
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)cc1	ZINC000020456950	527376968	/nfs/dbraw/zinc/37/69/68/527376968.db2.gz	WXNGBYIDNSIRIV-UHFFFAOYSA-N	-1	1	434.455	2.591	40	5		IFBBMM
O=[N+]([O-])c1cccc(CS(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1	ZINC000216316049	557395390	/nfs/dbraw/zinc/39/53/90/557395390.db2.gz	OXSRZXKJJKDPIR-UHFFFAOYSA-N	-1	1	439.515	2.711	40	5		IFBBMM
CC(=O)c1[n-]n(-c2ccccc2[N+](=O)[O-])c2c(O)n(-c3cccc(Cl)c3C)c(=O)c1-2	ZINC000103769300	557441522	/nfs/dbraw/zinc/44/15/22/557441522.db2.gz	OOYCQVXADWPACX-FUHWJXTLSA-N	-1	1	426.816	2.880	40	5		IFBBMM
CC[C@H]1CCCCN1c1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)N2	ZINC000040390475	569501118	/nfs/dbraw/zinc/50/11/18/569501118.db2.gz	CJOBDRHFBIITQY-ZFWWWQNUSA-N	-1	1	440.460	2.512	40	5		IFBBMM
CC[C@H]1CCCCN1c1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)CC(=O)N2	ZINC000040390511	569501146	/nfs/dbraw/zinc/50/11/46/569501146.db2.gz	PRLYQHUUWUJINA-ZFWWWQNUSA-N	-1	1	440.460	2.512	40	5		IFBBMM
C[C@@H]1CCC[C@H](C)N1c1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)N2	ZINC000038828428	569469133	/nfs/dbraw/zinc/46/91/33/569469133.db2.gz	LCOBDVHVBIWIHU-ZOWXZIJZSA-N	-1	1	440.460	2.510	40	5		IFBBMM
O=[N+]([O-])c1cccc(CS(=O)(=O)Nc2ccc(S(=O)(=O)[N-]c3cccnc3)cc2)c1	ZINC000020451938	527388198	/nfs/dbraw/zinc/38/81/98/527388198.db2.gz	OZSVAYHWVVYMKV-UHFFFAOYSA-N	-1	1	448.482	2.733	40	5		IFBBMM
C[C@@H]1CCC[C@H](C)N1c1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)CC(=O)N2	ZINC000038828490	569469087	/nfs/dbraw/zinc/46/90/87/569469087.db2.gz	VAFJVBLMCARFIL-ZOWXZIJZSA-N	-1	1	440.460	2.510	40	5		IFBBMM
CC[C@H]1CCCCN1c1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)N2	ZINC000139109399	569138533	/nfs/dbraw/zinc/13/85/33/569138533.db2.gz	CJOBDRHFBIITQY-DZGCQCFKSA-N	-1	1	440.460	2.512	40	5		IFBBMM
Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCC[C@H]4C)[n-]c(=O)c32)cc1[N+](=O)[O-]	ZINC000253572496	569284264	/nfs/dbraw/zinc/28/42/64/569284264.db2.gz	QGFBQMYDZCAACH-TZMCWYRMSA-N	-1	1	440.460	2.842	40	5		IFBBMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1	ZINC000216338428	569429376	/nfs/dbraw/zinc/42/93/76/569429376.db2.gz	SQUFIXGHAYYENP-UHFFFAOYSA-N	-1	1	434.455	2.591	40	5		IFBBMM
CC(=O)c1[n-]n(-c2ccc([N+](=O)[O-])cc2)c2c(O)n(-c3cccc(Cl)c3C)c(=O)c1-2	ZINC000059416436	569461280	/nfs/dbraw/zinc/46/12/80/569461280.db2.gz	CNJHWVPMGDJLNI-SJLPKXTDSA-N	-1	1	426.816	2.880	40	5		IFBBMM
CC(=O)c1[n-]n(-c2ccc([N+](=O)[O-])cc2)c2c(O)n(-c3cccc(Cl)c3C)c(=O)c1-2	ZINC000103769241	557441532	/nfs/dbraw/zinc/44/15/32/557441532.db2.gz	CNJHWVPMGDJLNI-WMZOPIPTSA-N	-1	1	426.816	2.880	40	5		IFBBMM
CC(=O)c1[n-]n(-c2ccccc2[N+](=O)[O-])c2c(O)n(-c3cccc(Cl)c3C)c(=O)c1-2	ZINC000103769296	557441549	/nfs/dbraw/zinc/44/15/49/557441549.db2.gz	OOYCQVXADWPACX-AEFFLSMTSA-N	-1	1	426.816	2.880	40	5		IFBBMM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)Nc2cccnc2)cc1	ZINC000038771423	569469071	/nfs/dbraw/zinc/46/90/71/569469071.db2.gz	XMDMJVUMYNMWRL-UHFFFAOYSA-N	-1	1	448.482	2.900	40	5		IFBBMM
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC(=O)Nc2nc(Nc3ccccc3)[n-]c(=O)c21	ZINC000040399220	569501125	/nfs/dbraw/zinc/50/11/25/569501125.db2.gz	FUAQWZZJVXHZGH-AWEZNQCLSA-N	-1	1	434.412	2.795	40	5		IFBBMM
COc1cccc(NC(=O)COc2ccc(C=Cc3nc([O-])c([N+](=O)[O-])c(=O)[nH]3)cc2)c1	ZINC000408608351	557421672	/nfs/dbraw/zinc/42/16/72/557421672.db2.gz	VZCGKLLXYRFGIZ-JXMROGBWSA-N	-1	1	438.396	2.993	40	5		IFBBMM
C[C@@H]1CCC[C@H](C)N1c1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)CC(=O)N2	ZINC000059816942	569249753	/nfs/dbraw/zinc/24/97/53/569249753.db2.gz	VAFJVBLMCARFIL-TYNCELHUSA-N	-1	1	440.460	2.510	40	5		IFBBMM
Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCCC[C@H]3C)[n-]c(=O)c21	ZINC000253565085	569284172	/nfs/dbraw/zinc/28/41/72/569284172.db2.gz	HHCKIJBCQHWYSX-OCCSQVGLSA-N	-1	1	440.460	2.842	40	5		IFBBMM
CC[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])CC(=O)N2	ZINC000040390572	569501122	/nfs/dbraw/zinc/50/11/22/569501122.db2.gz	IYRIBJQGEJMMKT-OLZOCXBDSA-N	-1	1	440.460	2.512	40	5		IFBBMM
Cc1ccc(Nc2nc3c(c(=O)[n-]2)[C@H](C(=O)Nc2ccccc2[N+](=O)[O-])CC(=O)N3)cc1	ZINC000040400482	569501574	/nfs/dbraw/zinc/50/15/74/569501574.db2.gz	RJEAIQSHXUMIAS-CYBMUJFWSA-N	-1	1	434.412	2.795	40	5		IFBBMM
CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)ccc1OCC(=O)N1CCCCC1	ZINC000408608904	557421700	/nfs/dbraw/zinc/42/17/00/557421700.db2.gz	XLOVMUQRELTKSA-VQHVLOKHSA-N	-1	1	444.444	2.756	40	5		IFBBMM
CSc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1C(=O)N1CCOCC1	ZINC000026117473	557448720	/nfs/dbraw/zinc/44/87/20/557448720.db2.gz	AKUXNOIASKAMEX-UHFFFAOYSA-N	-1	1	437.499	2.590	40	5		IFBBMM
Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCCC[C@H]3C)[n-]c(=O)c21	ZINC000253565086	569284287	/nfs/dbraw/zinc/28/42/87/569284287.db2.gz	HHCKIJBCQHWYSX-TZMCWYRMSA-N	-1	1	440.460	2.842	40	5		IFBBMM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccnc3)cc2)c1	ZINC000030752736	569447670	/nfs/dbraw/zinc/44/76/70/569447670.db2.gz	GGURHTHWLPJWHD-UHFFFAOYSA-N	-1	1	434.455	2.591	40	5		IFBBMM
C[C@@H]1CCC[C@@H](C)N1c1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)N2	ZINC000038828432	569469160	/nfs/dbraw/zinc/46/91/60/569469160.db2.gz	LCOBDVHVBIWIHU-JMSVASOKSA-N	-1	1	440.460	2.510	40	5		IFBBMM
C[C@H]1CCC[C@H](C)N1c1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)CC(=O)N2	ZINC000038828492	569469155	/nfs/dbraw/zinc/46/91/55/569469155.db2.gz	VAFJVBLMCARFIL-HUBLWGQQSA-N	-1	1	440.460	2.510	40	5		IFBBMM
O=C(CN1CCCCCC1)Nc1ccc(S(=O)(=O)[N-]c2ncc([N+](=O)[O-])s2)cc1	ZINC000016806090	569583364	/nfs/dbraw/zinc/58/33/64/569583364.db2.gz	CAIZFCQOOOLMTG-UHFFFAOYSA-N	-1	1	439.519	2.667	40	5		IFBBMM
CCOC(=O)c1[n-]n(-c2ccc([N+](=O)[O-])cc2)c2c(O)n(-c3ccccc3Cl)c(=O)c1-2	ZINC000100942496	557203077	/nfs/dbraw/zinc/20/30/77/557203077.db2.gz	QLVUYWXSVLLTJQ-DOTOQJQBSA-N	-1	1	442.815	2.546	40	5		IFBBMM
CC[C@H]1CCCCN1c1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)CC(=O)N2	ZINC000139111752	569138566	/nfs/dbraw/zinc/13/85/66/569138566.db2.gz	PRLYQHUUWUJINA-DZGCQCFKSA-N	-1	1	440.460	2.512	40	5		IFBBMM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1	ZINC000016978290	569169053	/nfs/dbraw/zinc/16/90/53/569169053.db2.gz	LULMSUOIMDATMJ-UHFFFAOYSA-N	-1	1	448.482	2.900	40	5		IFBBMM
C[C@@H]1CCC[C@@H](C)N1c1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)N2	ZINC000059816861	569249681	/nfs/dbraw/zinc/24/96/81/569249681.db2.gz	LCOBDVHVBIWIHU-LALPHHSUSA-N	-1	1	440.460	2.510	40	5		IFBBMM
CCN(CC)S(=O)(=O)c1ccc([N-]S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1	ZINC000020112096	569334403	/nfs/dbraw/zinc/33/44/03/569334403.db2.gz	GTYRGIMVZOUCIN-UHFFFAOYSA-N	-1	1	427.504	2.567	40	5		IFBBMM
Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccccc4)[n-]c(=O)c32)cc1[N+](=O)[O-]	ZINC000040399228	569501181	/nfs/dbraw/zinc/50/11/81/569501181.db2.gz	GUCKOSCRJKMBHL-AWEZNQCLSA-N	-1	1	434.412	2.795	40	5		IFBBMM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)Nc2ccccn2)cc1	ZINC000040945634	569522626	/nfs/dbraw/zinc/52/26/26/569522626.db2.gz	HIZKETJSZYOEQX-UHFFFAOYSA-N	-1	1	434.455	2.591	40	5		IFBBMM
O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1	ZINC000040945634	569522627	/nfs/dbraw/zinc/52/26/27/569522627.db2.gz	HIZKETJSZYOEQX-UHFFFAOYSA-N	-1	1	434.455	2.591	40	5		IFBBMM
O=C(c1cnc2c(ccc3c([O-])c([N+](=O)[O-])cnc32)c1)N1CCN(Cc2ccccc2)CC1	ZINC000095641938	557317871	/nfs/dbraw/zinc/31/78/71/557317871.db2.gz	HPDVDDAVQSIBPH-UHFFFAOYSA-N	-1	1	443.463	2.943	40	5		IFBBMM
C[C@@H]1CCC[C@@H](C)N1c1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)CC(=O)N2	ZINC000059816949	569249756	/nfs/dbraw/zinc/24/97/56/569249756.db2.gz	VAFJVBLMCARFIL-LALPHHSUSA-N	-1	1	440.460	2.510	40	5		IFBBMM
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC(=O)Nc2nc(Nc3ccccc3)[n-]c(=O)c21	ZINC000040399219	569501135	/nfs/dbraw/zinc/50/11/35/569501135.db2.gz	FUAQWZZJVXHZGH-CQSZACIVSA-N	-1	1	434.412	2.795	40	5		IFBBMM
Cc1ccc(Nc2nc3c(c(=O)[n-]2)[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)CC(=O)N3)cc1	ZINC000040400486	569501580	/nfs/dbraw/zinc/50/15/80/569501580.db2.gz	HLMPNDDBVHXHEF-OAHLLOKOSA-N	-1	1	434.412	2.795	40	5		IFBBMM