smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(NCC[NH2+]C(C)(C)C)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301280019 308694693 /nfs/dbraw/zinc/69/46/93/308694693.db2.gz ZUBHYGSKGDXEHM-UHFFFAOYSA-N 2 2 329.404 3.160 10 5 EGBELP COc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000352783299 456302496 /nfs/dbraw/zinc/30/24/96/456302496.db2.gz JESIROPQXCHWLJ-RDJZCZTQSA-N 2 2 345.443 3.052 10 5 EGBELP COc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000352783299 456302504 /nfs/dbraw/zinc/30/25/04/456302504.db2.gz JESIROPQXCHWLJ-RDJZCZTQSA-N 2 2 345.443 3.052 10 5 EGBELP COc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000352783299 456302512 /nfs/dbraw/zinc/30/25/12/456302512.db2.gz JESIROPQXCHWLJ-RDJZCZTQSA-N 2 2 345.443 3.052 10 5 EGBELP COc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000352783299 456302523 /nfs/dbraw/zinc/30/25/23/456302523.db2.gz JESIROPQXCHWLJ-RDJZCZTQSA-N 2 2 345.443 3.052 10 5 EGBELP Cc1cc(NC[C@H](C2CC2)[NH+](C)C)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301221462 456824993 /nfs/dbraw/zinc/82/49/93/456824993.db2.gz CADYUKLWVYKPQE-MRXNPFEDSA-N 2 2 341.415 3.112 10 5 EGBELP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000183317822 235005236 /nfs/dbraw/zinc/00/52/36/235005236.db2.gz XDUMRYCWOJMTMT-HNNXBMFYSA-N 2 2 326.400 3.232 10 5 EGBELP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000183317822 235005237 /nfs/dbraw/zinc/00/52/37/235005237.db2.gz XDUMRYCWOJMTMT-HNNXBMFYSA-N 2 2 326.400 3.232 10 5 EGBELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000106213192 204187295 /nfs/dbraw/zinc/18/72/95/204187295.db2.gz OZZUFTPIZPMEDN-KRWDZBQOSA-N 2 2 328.416 3.233 10 5 EGBELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000106213192 204187296 /nfs/dbraw/zinc/18/72/96/204187296.db2.gz OZZUFTPIZPMEDN-KRWDZBQOSA-N 2 2 328.416 3.233 10 5 EGBELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417313846 309201326 /nfs/dbraw/zinc/20/13/26/309201326.db2.gz QEMYZNWYHRNLOS-HKUYNNGSSA-N 2 2 347.459 3.063 10 5 EGBELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417313846 309201327 /nfs/dbraw/zinc/20/13/27/309201327.db2.gz QEMYZNWYHRNLOS-HKUYNNGSSA-N 2 2 347.459 3.063 10 5 EGBELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000178336238 454949706 /nfs/dbraw/zinc/94/97/06/454949706.db2.gz VPCPXZGRTRADEY-OAHLLOKOSA-N 2 2 334.807 3.418 10 5 EGBELP O=[N+]([O-])c1cccc(C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C2CC2)c1 ZINC000596979795 459809885 /nfs/dbraw/zinc/80/98/85/459809885.db2.gz PACDCOAUFNQDLC-UHFFFAOYSA-N 2 2 349.394 3.340 10 5 EGBELP O=[N+]([O-])c1cccc(C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C2CC2)c1 ZINC000596979795 459809889 /nfs/dbraw/zinc/80/98/89/459809889.db2.gz PACDCOAUFNQDLC-UHFFFAOYSA-N 2 2 349.394 3.340 10 5 EGBELP C[NH+]1CCC([C@H]2CCN(c3ccc4c[nH+]ccc4c3[N+](=O)[O-])C2)CC1 ZINC000599058582 460145801 /nfs/dbraw/zinc/14/58/01/460145801.db2.gz JSEYIKUYMNHLIX-INIZCTEOSA-N 2 2 340.427 3.311 10 5 EGBELP Cc1c(C[NH+]2C[C@@]34C[N@@H+](C)C[C@]3(C2)CCCC4)cccc1[N+](=O)[O-] ZINC001308171493 1384105130 /nfs/dbraw/zinc/10/51/30/1384105130.db2.gz UDLKXTKZNTXLKX-KDURUIRLSA-N 2 2 329.444 3.211 10 5 EGBELP Cc1c(C[NH+]2C[C@@]34C[N@H+](C)C[C@]3(C2)CCCC4)cccc1[N+](=O)[O-] ZINC001308171493 1384105133 /nfs/dbraw/zinc/10/51/33/1384105133.db2.gz UDLKXTKZNTXLKX-KDURUIRLSA-N 2 2 329.444 3.211 10 5 EGBELP Cc1c(C[N@H+]2C[C@@]34C[NH+](C)C[C@]3(C2)CCCC4)cccc1[N+](=O)[O-] ZINC001308171493 1384105134 /nfs/dbraw/zinc/10/51/34/1384105134.db2.gz UDLKXTKZNTXLKX-KDURUIRLSA-N 2 2 329.444 3.211 10 5 EGBELP Cc1c(C[N@@H+]2C[C@@]34C[NH+](C)C[C@]3(C2)CCCC4)cccc1[N+](=O)[O-] ZINC001308171493 1384105136 /nfs/dbraw/zinc/10/51/36/1384105136.db2.gz UDLKXTKZNTXLKX-KDURUIRLSA-N 2 2 329.444 3.211 10 5 EGBELP C[C@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccccc1[N+](=O)[O-] ZINC000341346154 279456198 /nfs/dbraw/zinc/45/61/98/279456198.db2.gz HQXITQQKZPRCIB-HNNXBMFYSA-N 2 2 340.427 3.305 10 5 EGBELP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000415018352 309114584 /nfs/dbraw/zinc/11/45/84/309114584.db2.gz QUXSRMQINNQIRX-NEPJUHHUSA-N 2 2 333.363 3.352 10 5 EGBELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417313849 309201339 /nfs/dbraw/zinc/20/13/39/309201339.db2.gz QEMYZNWYHRNLOS-PKOBYXMFSA-N 2 2 347.459 3.063 10 5 EGBELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417313849 309201340 /nfs/dbraw/zinc/20/13/40/309201340.db2.gz QEMYZNWYHRNLOS-PKOBYXMFSA-N 2 2 347.459 3.063 10 5 EGBELP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420401666 309286565 /nfs/dbraw/zinc/28/65/65/309286565.db2.gz POKXFTBLLUMLOI-YJBOKZPZSA-N 2 2 347.459 3.346 10 5 EGBELP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420401666 309286566 /nfs/dbraw/zinc/28/65/66/309286566.db2.gz POKXFTBLLUMLOI-YJBOKZPZSA-N 2 2 347.459 3.346 10 5 EGBELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000182342179 455492873 /nfs/dbraw/zinc/49/28/73/455492873.db2.gz YYUKVHDOFTVJER-WBMJQRKESA-N 2 2 325.840 3.410 10 5 EGBELP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000182342179 455492877 /nfs/dbraw/zinc/49/28/77/455492877.db2.gz YYUKVHDOFTVJER-WBMJQRKESA-N 2 2 325.840 3.410 10 5 EGBELP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000182342179 455492880 /nfs/dbraw/zinc/49/28/80/455492880.db2.gz YYUKVHDOFTVJER-WBMJQRKESA-N 2 2 325.840 3.410 10 5 EGBELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000182342179 455492884 /nfs/dbraw/zinc/49/28/84/455492884.db2.gz YYUKVHDOFTVJER-WBMJQRKESA-N 2 2 325.840 3.410 10 5 EGBELP O=[N+]([O-])c1c(NCC2CC[NH+](C3CC3)CC2)ccc2c[nH+]ccc21 ZINC000599075189 460153622 /nfs/dbraw/zinc/15/36/22/460153622.db2.gz ZRLCFWNAVCRAFN-UHFFFAOYSA-N 2 2 326.400 3.429 10 5 EGBELP C[NH+]1CCC(CNc2ccsc2[N+](=O)[O-])([NH+]2CCCCC2)CC1 ZINC000614977305 460257217 /nfs/dbraw/zinc/25/72/17/460257217.db2.gz PZYGVLCAFXPFTR-UHFFFAOYSA-N 2 2 338.477 3.019 10 5 EGBELP O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1cc(-n3cc[nH+]c3)cs1)CC2 ZINC000346205074 141179608 /nfs/dbraw/zinc/17/96/08/141179608.db2.gz QMFAVBBUXJGTFT-UHFFFAOYSA-N 2 2 340.408 3.400 10 5 EGBELP O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1cc(-n3cc[nH+]c3)cs1)CC2 ZINC000346205074 141179610 /nfs/dbraw/zinc/17/96/10/141179610.db2.gz QMFAVBBUXJGTFT-UHFFFAOYSA-N 2 2 340.408 3.400 10 5 EGBELP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000184735211 144098410 /nfs/dbraw/zinc/09/84/10/144098410.db2.gz SBHLQEVBNZQHLV-HNNXBMFYSA-N 2 2 328.416 3.091 10 5 EGBELP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000184735211 144098412 /nfs/dbraw/zinc/09/84/12/144098412.db2.gz SBHLQEVBNZQHLV-HNNXBMFYSA-N 2 2 328.416 3.091 10 5 EGBELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(Cl)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000079462632 276225403 /nfs/dbraw/zinc/22/54/03/276225403.db2.gz PONIBXKPODETCK-DOMZBBRYSA-N 2 2 325.840 3.410 10 5 EGBELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000079462632 276225401 /nfs/dbraw/zinc/22/54/01/276225401.db2.gz PONIBXKPODETCK-DOMZBBRYSA-N 2 2 325.840 3.410 10 5 EGBELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000079462632 276225402 /nfs/dbraw/zinc/22/54/02/276225402.db2.gz PONIBXKPODETCK-DOMZBBRYSA-N 2 2 325.840 3.410 10 5 EGBELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(Cl)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000079462632 276225404 /nfs/dbraw/zinc/22/54/04/276225404.db2.gz PONIBXKPODETCK-DOMZBBRYSA-N 2 2 325.840 3.410 10 5 EGBELP O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000255493800 455868307 /nfs/dbraw/zinc/86/83/07/455868307.db2.gz OQDDKICIXYDBLH-GMNBZTITSA-N 2 2 338.411 3.437 10 5 EGBELP O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000255493800 455868310 /nfs/dbraw/zinc/86/83/10/455868310.db2.gz OQDDKICIXYDBLH-GMNBZTITSA-N 2 2 338.411 3.437 10 5 EGBELP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000589349845 460077264 /nfs/dbraw/zinc/07/72/64/460077264.db2.gz TZFGAOIOCNCGIP-OLZOCXBDSA-N 2 2 346.456 3.336 10 5 EGBELP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000589349845 460077269 /nfs/dbraw/zinc/07/72/69/460077269.db2.gz TZFGAOIOCNCGIP-OLZOCXBDSA-N 2 2 346.456 3.336 10 5 EGBELP C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001307670346 1384010703 /nfs/dbraw/zinc/01/07/03/1384010703.db2.gz RAHOISPNNNOVNE-ZFWWWQNUSA-N 2 2 335.423 3.477 10 5 EGBELP C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001307670346 1384010707 /nfs/dbraw/zinc/01/07/07/1384010707.db2.gz RAHOISPNNNOVNE-ZFWWWQNUSA-N 2 2 335.423 3.477 10 5 EGBELP Cc1c(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cccc1[N+](=O)[O-] ZINC000171641895 455082040 /nfs/dbraw/zinc/08/20/40/455082040.db2.gz GBPOHENYYJFVHS-HNNXBMFYSA-N 2 2 326.400 3.232 10 5 EGBELP Cc1c(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cccc1[N+](=O)[O-] ZINC000171641895 455082045 /nfs/dbraw/zinc/08/20/45/455082045.db2.gz GBPOHENYYJFVHS-HNNXBMFYSA-N 2 2 326.400 3.232 10 5 EGBELP CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000872073402 1296718312 /nfs/dbraw/zinc/71/83/12/1296718312.db2.gz QLVIDENSEMBNIK-QWRGUYRKSA-N 2 2 332.429 3.248 10 5 EGBELP CCC[C@@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000925791539 1325302988 /nfs/dbraw/zinc/30/29/88/1325302988.db2.gz ATYXVNTYXIQGBL-SJLPKXTDSA-N 2 2 347.459 3.184 10 5 EGBELP CCOc1ccc([C@H](C)[NH2+][C@H]2CCc3[nH+]c(C)cn3C2)cc1[N+](=O)[O-] ZINC000097032483 454390170 /nfs/dbraw/zinc/39/01/70/454390170.db2.gz QEECMYGGKZDQKJ-ZFWWWQNUSA-N 2 2 344.415 3.164 10 5 EGBELP CCC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCOC)c1cccc([N+](=O)[O-])c1 ZINC000163378460 454842805 /nfs/dbraw/zinc/84/28/05/454842805.db2.gz MXEFAXYUCSALIT-ZWKOTPCHSA-N 2 2 335.448 3.136 10 5 EGBELP CCC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CCOC)c1cccc([N+](=O)[O-])c1 ZINC000163378460 454842807 /nfs/dbraw/zinc/84/28/07/454842807.db2.gz MXEFAXYUCSALIT-ZWKOTPCHSA-N 2 2 335.448 3.136 10 5 EGBELP CC[C@@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000151515094 454995742 /nfs/dbraw/zinc/99/57/42/454995742.db2.gz HJNCQWUULDEZDB-QGZVFWFLSA-N 2 2 337.383 3.416 10 5 EGBELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255764804 455873718 /nfs/dbraw/zinc/87/37/18/455873718.db2.gz AIICQQSRKUISSK-DANOYGIBSA-N 2 2 326.400 3.278 10 5 EGBELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255764804 455873722 /nfs/dbraw/zinc/87/37/22/455873722.db2.gz AIICQQSRKUISSK-DANOYGIBSA-N 2 2 326.400 3.278 10 5 EGBELP Cc1ccc([N+](=O)[O-])c(NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1 ZINC000301546543 456143596 /nfs/dbraw/zinc/14/35/96/456143596.db2.gz FDRCMCRSMGGRAQ-UHFFFAOYSA-N 2 2 346.475 3.265 10 5 EGBELP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000290787104 456430253 /nfs/dbraw/zinc/43/02/53/456430253.db2.gz CRVYPGMKKZRFLT-JTQLQIEISA-N 2 2 332.231 3.333 10 5 EGBELP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000290787104 456430260 /nfs/dbraw/zinc/43/02/60/456430260.db2.gz CRVYPGMKKZRFLT-JTQLQIEISA-N 2 2 332.231 3.333 10 5 EGBELP Cc1cc(N[C@@H](C)CC[NH+](C)C)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301230411 456827372 /nfs/dbraw/zinc/82/73/72/456827372.db2.gz JALAFUBJGYQHAZ-LBPRGKRZSA-N 2 2 329.404 3.112 10 5 EGBELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433166794 457768144 /nfs/dbraw/zinc/76/81/44/457768144.db2.gz GZLNXOLGULZNAD-YJBOKZPZSA-N 2 2 347.459 3.018 10 5 EGBELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433166794 457768150 /nfs/dbraw/zinc/76/81/50/457768150.db2.gz GZLNXOLGULZNAD-YJBOKZPZSA-N 2 2 347.459 3.018 10 5 EGBELP C[C@@H]1C[NH+](CCCNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@@H](C)O1 ZINC000599023036 460130056 /nfs/dbraw/zinc/13/00/56/460130056.db2.gz QHLHPPJYJMSBMS-ZIAGYGMSSA-N 2 2 344.415 3.054 10 5 EGBELP CCC1([NH+](C)C)CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000601228968 460757571 /nfs/dbraw/zinc/75/75/71/460757571.db2.gz ARYFJUNBHJPVEA-UHFFFAOYSA-N 2 2 328.416 3.454 10 5 EGBELP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)o1 ZINC000368091817 168309636 /nfs/dbraw/zinc/30/96/36/168309636.db2.gz XXUZDZWKZXCAIF-GFCCVEGCSA-N 2 2 338.367 3.225 10 5 EGBELP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)o1 ZINC000368091817 168309638 /nfs/dbraw/zinc/30/96/38/168309638.db2.gz XXUZDZWKZXCAIF-GFCCVEGCSA-N 2 2 338.367 3.225 10 5 EGBELP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)o1 ZINC000368091818 168310011 /nfs/dbraw/zinc/31/00/11/168310011.db2.gz XXUZDZWKZXCAIF-LBPRGKRZSA-N 2 2 338.367 3.225 10 5 EGBELP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)o1 ZINC000368091818 168310013 /nfs/dbraw/zinc/31/00/13/168310013.db2.gz XXUZDZWKZXCAIF-LBPRGKRZSA-N 2 2 338.367 3.225 10 5 EGBELP Cc1cc(NC[C@H](C)[N@H+](C)C2CC2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301226211 456826370 /nfs/dbraw/zinc/82/63/70/456826370.db2.gz GPONNADGCAUPLB-ZDUSSCGKSA-N 2 2 341.415 3.255 10 5 EGBELP Cc1cc(NC[C@H](C)[N@@H+](C)C2CC2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301226211 456826377 /nfs/dbraw/zinc/82/63/77/456826377.db2.gz GPONNADGCAUPLB-ZDUSSCGKSA-N 2 2 341.415 3.255 10 5 EGBELP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000596647803 459713604 /nfs/dbraw/zinc/71/36/04/459713604.db2.gz CFWYVHVXSCYWPJ-GDIGMMSISA-N 2 2 325.412 3.391 10 5 EGBELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000106212607 204188365 /nfs/dbraw/zinc/18/83/65/204188365.db2.gz XNHXYAIXGBDXQB-HNNXBMFYSA-N 2 2 344.415 3.070 10 5 EGBELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000106212607 204188368 /nfs/dbraw/zinc/18/83/68/204188368.db2.gz XNHXYAIXGBDXQB-HNNXBMFYSA-N 2 2 344.415 3.070 10 5 EGBELP CCOc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000423232429 309391613 /nfs/dbraw/zinc/39/16/13/309391613.db2.gz CFCMIDWHIOLMQB-CJNGLKHVSA-N 2 2 329.400 3.344 10 5 EGBELP CCOc1ccc([C@H](C)[NH2+][C@@H]2CCc3[nH+]c(C)cn3C2)cc1[N+](=O)[O-] ZINC000097032481 454390781 /nfs/dbraw/zinc/39/07/81/454390781.db2.gz QEECMYGGKZDQKJ-DZGCQCFKSA-N 2 2 344.415 3.164 10 5 EGBELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000079462633 454419977 /nfs/dbraw/zinc/41/99/77/454419977.db2.gz PONIBXKPODETCK-IUODEOHRSA-N 2 2 325.840 3.410 10 5 EGBELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000079462633 454419983 /nfs/dbraw/zinc/41/99/83/454419983.db2.gz PONIBXKPODETCK-IUODEOHRSA-N 2 2 325.840 3.410 10 5 EGBELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(Cl)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000079462633 454419988 /nfs/dbraw/zinc/41/99/88/454419988.db2.gz PONIBXKPODETCK-IUODEOHRSA-N 2 2 325.840 3.410 10 5 EGBELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(Cl)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000079462633 454419991 /nfs/dbraw/zinc/41/99/91/454419991.db2.gz PONIBXKPODETCK-IUODEOHRSA-N 2 2 325.840 3.410 10 5 EGBELP O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1Cl ZINC000154044277 454860552 /nfs/dbraw/zinc/86/05/52/454860552.db2.gz ASQBBYROEGFMAC-CQSZACIVSA-N 2 2 333.775 3.297 10 5 EGBELP O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1Cl ZINC000154044277 454860557 /nfs/dbraw/zinc/86/05/57/454860557.db2.gz ASQBBYROEGFMAC-CQSZACIVSA-N 2 2 333.775 3.297 10 5 EGBELP Cc1cc(NCC[N@@H+](C)C(C)C)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301262253 456074395 /nfs/dbraw/zinc/07/43/95/456074395.db2.gz VHMIFVZTECLTTI-UHFFFAOYSA-N 2 2 329.404 3.112 10 5 EGBELP Cc1cc(NCC[N@H+](C)C(C)C)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301262253 456074400 /nfs/dbraw/zinc/07/44/00/456074400.db2.gz VHMIFVZTECLTTI-UHFFFAOYSA-N 2 2 329.404 3.112 10 5 EGBELP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000589349847 460077222 /nfs/dbraw/zinc/07/72/22/460077222.db2.gz TZFGAOIOCNCGIP-STQMWFEESA-N 2 2 346.456 3.336 10 5 EGBELP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000589349847 460077229 /nfs/dbraw/zinc/07/72/29/460077229.db2.gz TZFGAOIOCNCGIP-STQMWFEESA-N 2 2 346.456 3.336 10 5 EGBELP CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000872073401 1296718286 /nfs/dbraw/zinc/71/82/86/1296718286.db2.gz QLVIDENSEMBNIK-MNOVXSKESA-N 2 2 332.429 3.248 10 5 EGBELP C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1c[nH+]ccc1N ZINC000423085062 309385147 /nfs/dbraw/zinc/38/51/47/309385147.db2.gz JEJYDYHSZLLATE-VIFPVBQESA-N 2 2 340.305 3.272 10 5 EGBELP C[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000600772904 460597596 /nfs/dbraw/zinc/59/75/96/460597596.db2.gz LBXHTBMJOICULM-WMLDXEAASA-N 2 2 340.427 3.203 10 5 EGBELP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](Cc1ccc(-c3ccccc3[N+](=O)[O-])o1)C2 ZINC000600775222 460598126 /nfs/dbraw/zinc/59/81/26/460598126.db2.gz SQRNJJVJEIZNAT-KDURUIRLSA-N 2 2 341.411 3.286 10 5 EGBELP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](Cc1ccc(-c3ccccc3[N+](=O)[O-])o1)C2 ZINC000600775222 460598131 /nfs/dbraw/zinc/59/81/31/460598131.db2.gz SQRNJJVJEIZNAT-KDURUIRLSA-N 2 2 341.411 3.286 10 5 EGBELP CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCc3[nH+]c(C)cn3C2)cc1[N+](=O)[O-] ZINC000097032480 454390717 /nfs/dbraw/zinc/39/07/17/454390717.db2.gz QEECMYGGKZDQKJ-UKRRQHHQSA-N 2 2 344.415 3.164 10 5 EGBELP O=[N+]([O-])c1cccc([C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)c2ccccc2)c1 ZINC000427846368 458044507 /nfs/dbraw/zinc/04/45/07/458044507.db2.gz HHEHIONLENDLRV-YLJYHZDGSA-N 2 2 348.406 3.485 10 5 EGBELP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000610272857 460101164 /nfs/dbraw/zinc/10/11/64/460101164.db2.gz VAEAKMIMIWFUJA-OAHLLOKOSA-N 2 2 342.424 3.463 10 5 EGBELP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3[nH+]c[nH]c3C1)CCCC2 ZINC000417353842 309202763 /nfs/dbraw/zinc/20/27/63/309202763.db2.gz YFUXBIDDUWMXHH-CJNGLKHVSA-N 2 2 326.400 3.233 10 5 EGBELP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3[nH]c[nH+]c3C1)CCCC2 ZINC000417353842 309202764 /nfs/dbraw/zinc/20/27/64/309202764.db2.gz YFUXBIDDUWMXHH-CJNGLKHVSA-N 2 2 326.400 3.233 10 5 EGBELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000106213189 454685680 /nfs/dbraw/zinc/68/56/80/454685680.db2.gz OZZUFTPIZPMEDN-QGZVFWFLSA-N 2 2 328.416 3.233 10 5 EGBELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000106213189 454685683 /nfs/dbraw/zinc/68/56/83/454685683.db2.gz OZZUFTPIZPMEDN-QGZVFWFLSA-N 2 2 328.416 3.233 10 5 EGBELP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCc4[nH+]c[nH]c4C3)o2)cc1 ZINC000370731399 457708592 /nfs/dbraw/zinc/70/85/92/457708592.db2.gz WIUZBPDUJBGDBX-CYBMUJFWSA-N 2 2 338.367 3.225 10 5 EGBELP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCc4[nH]c[nH+]c4C3)o2)cc1 ZINC000370731399 457708596 /nfs/dbraw/zinc/70/85/96/457708596.db2.gz WIUZBPDUJBGDBX-CYBMUJFWSA-N 2 2 338.367 3.225 10 5 EGBELP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000610272856 460101011 /nfs/dbraw/zinc/10/10/11/460101011.db2.gz VAEAKMIMIWFUJA-HNNXBMFYSA-N 2 2 342.424 3.463 10 5 EGBELP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000610272689 460101256 /nfs/dbraw/zinc/10/12/56/460101256.db2.gz DEIFWCJNOPXRGR-SFHVURJKSA-N 2 2 336.395 3.402 10 5 EGBELP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872151475 1296770239 /nfs/dbraw/zinc/77/02/39/1296770239.db2.gz KYFLGDHFSJFVCO-MJVIPROJSA-N 2 2 331.338 3.033 10 5 EGBELP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872151475 1296770252 /nfs/dbraw/zinc/77/02/52/1296770252.db2.gz KYFLGDHFSJFVCO-MJVIPROJSA-N 2 2 331.338 3.033 10 5 EGBELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183333998 529760856 /nfs/dbraw/zinc/76/08/56/529760856.db2.gz GAOKFGHMRQJHOK-QGZVFWFLSA-N 2 2 328.416 3.499 10 5 EGBELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183333998 529760857 /nfs/dbraw/zinc/76/08/57/529760857.db2.gz GAOKFGHMRQJHOK-QGZVFWFLSA-N 2 2 328.416 3.499 10 5 EGBELP CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000079462152 217227712 /nfs/dbraw/zinc/22/77/12/217227712.db2.gz GQEZBEDMVCYSBJ-PBHICJAKSA-N 2 2 335.448 3.156 10 5 EGBELP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000079462152 217227715 /nfs/dbraw/zinc/22/77/15/217227715.db2.gz GQEZBEDMVCYSBJ-PBHICJAKSA-N 2 2 335.448 3.156 10 5 EGBELP CCOc1ccc([N+](=O)[O-])cc1C[NH+](C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000079462152 217227718 /nfs/dbraw/zinc/22/77/18/217227718.db2.gz GQEZBEDMVCYSBJ-PBHICJAKSA-N 2 2 335.448 3.156 10 5 EGBELP CCOc1ccc([N+](=O)[O-])cc1C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000079462152 217227721 /nfs/dbraw/zinc/22/77/21/217227721.db2.gz GQEZBEDMVCYSBJ-PBHICJAKSA-N 2 2 335.448 3.156 10 5 EGBELP C[C@H]1C[C@@H]([NH+](C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@@H+]1C ZINC000093645066 218237873 /nfs/dbraw/zinc/23/78/73/218237873.db2.gz KIJXKTNRIOVRMC-AAEUAGOBSA-N 2 2 343.374 3.111 10 5 EGBELP C[C@H]1C[C@@H]([NH+](C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@H+]1C ZINC000093645066 218237876 /nfs/dbraw/zinc/23/78/76/218237876.db2.gz KIJXKTNRIOVRMC-AAEUAGOBSA-N 2 2 343.374 3.111 10 5 EGBELP C[C@H]1C[C@@H]([N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[NH+]1C ZINC000093645066 218237877 /nfs/dbraw/zinc/23/78/77/218237877.db2.gz KIJXKTNRIOVRMC-AAEUAGOBSA-N 2 2 343.374 3.111 10 5 EGBELP C[C@H]1C[C@@H]([N@@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[NH+]1C ZINC000093645066 218237878 /nfs/dbraw/zinc/23/78/78/218237878.db2.gz KIJXKTNRIOVRMC-AAEUAGOBSA-N 2 2 343.374 3.111 10 5 EGBELP C[NH+](C)C1CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000121788507 152371276 /nfs/dbraw/zinc/37/12/76/152371276.db2.gz DLUBKLFXNYKFAP-UHFFFAOYSA-N 2 2 329.400 3.381 10 5 EGBELP CC[N@@H+]1CC[C@H](C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000113323916 454923207 /nfs/dbraw/zinc/92/32/07/454923207.db2.gz VZNANTRHXJSTNN-CYBMUJFWSA-N 2 2 346.456 3.150 10 5 EGBELP CC[N@H+]1CC[C@H](C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000113323916 454923210 /nfs/dbraw/zinc/92/32/10/454923210.db2.gz VZNANTRHXJSTNN-CYBMUJFWSA-N 2 2 346.456 3.150 10 5 EGBELP Cc1ccc([C@H](C)[NH2+]Cc2cccnc2-n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000151501930 454994287 /nfs/dbraw/zinc/99/42/87/454994287.db2.gz WOFJGELSOTXXCD-AWEZNQCLSA-N 2 2 337.383 3.335 10 5 EGBELP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000480628671 459209408 /nfs/dbraw/zinc/20/94/08/459209408.db2.gz YTCFZGQGBMUVNA-CRAIPNDOSA-N 2 2 331.460 3.380 10 5 EGBELP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000480628671 459209414 /nfs/dbraw/zinc/20/94/14/459209414.db2.gz YTCFZGQGBMUVNA-CRAIPNDOSA-N 2 2 331.460 3.380 10 5 EGBELP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000595055132 459229633 /nfs/dbraw/zinc/22/96/33/459229633.db2.gz TUEIZIGQJCBICW-VQCLRJIVSA-N 2 2 333.432 3.271 10 5 EGBELP C[N@@H+]1C[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)[C@H](c2ccccc2)C1 ZINC000592376391 459584850 /nfs/dbraw/zinc/58/48/50/459584850.db2.gz IWBWPHRRZNLMNL-AEFFLSMTSA-N 2 2 343.402 3.169 10 5 EGBELP C[N@H+]1C[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)[C@H](c2ccccc2)C1 ZINC000592376391 459584856 /nfs/dbraw/zinc/58/48/56/459584856.db2.gz IWBWPHRRZNLMNL-AEFFLSMTSA-N 2 2 343.402 3.169 10 5 EGBELP [NH3+][C@H]1CC[C@H](N(Cc2ccc([N+](=O)[O-])cc2)c2cccc[nH+]2)CC1 ZINC000895110964 1309195486 /nfs/dbraw/zinc/19/54/86/1309195486.db2.gz FTJLVFBCVYBOHL-WKILWMFISA-N 2 2 326.400 3.266 10 5 EGBELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417313847 309201396 /nfs/dbraw/zinc/20/13/96/309201396.db2.gz QEMYZNWYHRNLOS-IEBWSBKVSA-N 2 2 347.459 3.063 10 5 EGBELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417313847 309201397 /nfs/dbraw/zinc/20/13/97/309201397.db2.gz QEMYZNWYHRNLOS-IEBWSBKVSA-N 2 2 347.459 3.063 10 5 EGBELP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246138789 455435189 /nfs/dbraw/zinc/43/51/89/455435189.db2.gz NKFCCPNZEXKUDU-CABCVRRESA-N 2 2 326.400 3.485 10 5 EGBELP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246138789 455435190 /nfs/dbraw/zinc/43/51/90/455435190.db2.gz NKFCCPNZEXKUDU-CABCVRRESA-N 2 2 326.400 3.485 10 5 EGBELP COc1cc(C[N@H+](C)CCC[NH+](C)Cc2ccco2)ccc1[N+](=O)[O-] ZINC000353546871 456750227 /nfs/dbraw/zinc/75/02/27/456750227.db2.gz XDSFUTHOYYEWCH-UHFFFAOYSA-N 2 2 347.415 3.150 10 5 EGBELP COc1cc(C[N@@H+](C)CCC[NH+](C)Cc2ccco2)ccc1[N+](=O)[O-] ZINC000353546871 456750233 /nfs/dbraw/zinc/75/02/33/456750233.db2.gz XDSFUTHOYYEWCH-UHFFFAOYSA-N 2 2 347.415 3.150 10 5 EGBELP COc1cc(C[NH+](C)CCC[N@H+](C)Cc2ccco2)ccc1[N+](=O)[O-] ZINC000353546871 456750241 /nfs/dbraw/zinc/75/02/41/456750241.db2.gz XDSFUTHOYYEWCH-UHFFFAOYSA-N 2 2 347.415 3.150 10 5 EGBELP COc1cc(C[NH+](C)CCC[N@@H+](C)Cc2ccco2)ccc1[N+](=O)[O-] ZINC000353546871 456750246 /nfs/dbraw/zinc/75/02/46/456750246.db2.gz XDSFUTHOYYEWCH-UHFFFAOYSA-N 2 2 347.415 3.150 10 5 EGBELP CCOc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000423232430 309391568 /nfs/dbraw/zinc/39/15/68/309391568.db2.gz CFCMIDWHIOLMQB-CZUORRHYSA-N 2 2 329.400 3.344 10 5 EGBELP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423365222 309397237 /nfs/dbraw/zinc/39/72/37/309397237.db2.gz DAEVKQXCYHJCAF-CCKFTAQKSA-N 2 2 325.412 3.272 10 5 EGBELP C[NH+]1CCC2(CCN(c3ccc4c[nH+]ccc4c3[N+](=O)[O-])C2)CC1 ZINC000599086187 460156239 /nfs/dbraw/zinc/15/62/39/460156239.db2.gz ZFYGXZCCUMQWAM-UHFFFAOYSA-N 2 2 326.400 3.065 10 5 EGBELP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000925763210 1325291065 /nfs/dbraw/zinc/29/10/65/1325291065.db2.gz QYZSLBBNQJNGRR-QWHCGFSZSA-N 2 2 342.237 3.107 10 5 EGBELP C[NH+](C)C1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000121777945 152370660 /nfs/dbraw/zinc/37/06/60/152370660.db2.gz QIHKVWKMHHYSIT-UHFFFAOYSA-N 2 2 329.400 3.381 10 5 EGBELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000106212605 454687153 /nfs/dbraw/zinc/68/71/53/454687153.db2.gz XNHXYAIXGBDXQB-OAHLLOKOSA-N 2 2 344.415 3.070 10 5 EGBELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000106212605 454687157 /nfs/dbraw/zinc/68/71/57/454687157.db2.gz XNHXYAIXGBDXQB-OAHLLOKOSA-N 2 2 344.415 3.070 10 5 EGBELP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000283867340 455605184 /nfs/dbraw/zinc/60/51/84/455605184.db2.gz DKYGDAXOZSBOQY-RBUKOAKNSA-N 2 2 325.412 3.172 10 5 EGBELP C[N@H+]1CC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000283867340 455605189 /nfs/dbraw/zinc/60/51/89/455605189.db2.gz DKYGDAXOZSBOQY-RBUKOAKNSA-N 2 2 325.412 3.172 10 5 EGBELP Cc1cc(NC[C@H]2CCC[N@@H+](C)C2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301241368 456830178 /nfs/dbraw/zinc/83/01/78/456830178.db2.gz OKGFSWIMOOXYPO-CQSZACIVSA-N 2 2 341.415 3.114 10 5 EGBELP Cc1cc(NC[C@H]2CCC[N@H+](C)C2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301241368 456830183 /nfs/dbraw/zinc/83/01/83/456830183.db2.gz OKGFSWIMOOXYPO-CQSZACIVSA-N 2 2 341.415 3.114 10 5 EGBELP O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@@H]3CCc4[nH+]c[nH]c4C3)o2)c1 ZINC000377791013 458528308 /nfs/dbraw/zinc/52/83/08/458528308.db2.gz YFQJMJZMKVKRSM-CYBMUJFWSA-N 2 2 338.367 3.225 10 5 EGBELP O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@@H]3CCc4[nH]c[nH+]c4C3)o2)c1 ZINC000377791013 458528315 /nfs/dbraw/zinc/52/83/15/458528315.db2.gz YFQJMJZMKVKRSM-CYBMUJFWSA-N 2 2 338.367 3.225 10 5 EGBELP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000596648558 459714108 /nfs/dbraw/zinc/71/41/08/459714108.db2.gz RIAGUXIQOXPGHS-GDIGMMSISA-N 2 2 325.412 3.391 10 5 EGBELP CCC[C@@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000925791538 1325302644 /nfs/dbraw/zinc/30/26/44/1325302644.db2.gz ATYXVNTYXIQGBL-FUHWJXTLSA-N 2 2 347.459 3.184 10 5 EGBELP C[NH+]1CCC([NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000180013556 265394091 /nfs/dbraw/zinc/39/40/91/265394091.db2.gz XUPUKFLXENTMNY-IBGZPJMESA-N 2 2 325.412 3.368 10 5 EGBELP O=[N+]([O-])c1cccc([C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2ccccc2)c1 ZINC000427846366 458044364 /nfs/dbraw/zinc/04/43/64/458044364.db2.gz HHEHIONLENDLRV-PXNSSMCTSA-N 2 2 348.406 3.485 10 5 EGBELP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000592479424 459609873 /nfs/dbraw/zinc/60/98/73/459609873.db2.gz YAKHRJFKSFKHED-CRAIPNDOSA-N 2 2 347.459 3.346 10 5 EGBELP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000592479424 459609880 /nfs/dbraw/zinc/60/98/80/459609880.db2.gz YAKHRJFKSFKHED-CRAIPNDOSA-N 2 2 347.459 3.346 10 5 EGBELP O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000092812490 218170320 /nfs/dbraw/zinc/17/03/20/218170320.db2.gz OQDDKICIXYDBLH-YERXGYGTSA-N 2 2 338.411 3.437 10 5 EGBELP O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000092812490 218170322 /nfs/dbraw/zinc/17/03/22/218170322.db2.gz OQDDKICIXYDBLH-YERXGYGTSA-N 2 2 338.411 3.437 10 5 EGBELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000248453186 308003421 /nfs/dbraw/zinc/00/34/21/308003421.db2.gz YYUKVHDOFTVJER-BLLLJJGKSA-N 2 2 325.840 3.410 10 5 EGBELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000248453186 308003423 /nfs/dbraw/zinc/00/34/23/308003423.db2.gz YYUKVHDOFTVJER-BLLLJJGKSA-N 2 2 325.840 3.410 10 5 EGBELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000248453186 308003424 /nfs/dbraw/zinc/00/34/24/308003424.db2.gz YYUKVHDOFTVJER-BLLLJJGKSA-N 2 2 325.840 3.410 10 5 EGBELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000248453186 308003425 /nfs/dbraw/zinc/00/34/25/308003425.db2.gz YYUKVHDOFTVJER-BLLLJJGKSA-N 2 2 325.840 3.410 10 5 EGBELP O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCC3(CC[NH2+]3)CC2)o1 ZINC000422561827 309361722 /nfs/dbraw/zinc/36/17/22/309361722.db2.gz NNPCFSRFAFUSRZ-UHFFFAOYSA-N 2 2 327.384 3.183 10 5 EGBELP Cc1cc[nH+]c(N2CC[NH+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000166043507 454907109 /nfs/dbraw/zinc/90/71/09/454907109.db2.gz DONCTPREOZWAEG-OAHLLOKOSA-N 2 2 326.400 3.181 10 5 EGBELP C[C@H]1CCCC[N@@H+]1CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000480628674 459209752 /nfs/dbraw/zinc/20/97/52/459209752.db2.gz YTCFZGQGBMUVNA-YJBOKZPZSA-N 2 2 331.460 3.380 10 5 EGBELP C[C@H]1CCCC[N@H+]1CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000480628674 459209757 /nfs/dbraw/zinc/20/97/57/459209757.db2.gz YTCFZGQGBMUVNA-YJBOKZPZSA-N 2 2 331.460 3.380 10 5 EGBELP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CC23CC(C2)C[NH2+]3)s1 ZINC000596106072 459523711 /nfs/dbraw/zinc/52/37/11/459523711.db2.gz PCLAMTSBMHKWDN-UHFFFAOYSA-N 2 2 329.425 3.165 10 5 EGBELP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872151476 1296768856 /nfs/dbraw/zinc/76/88/56/1296768856.db2.gz KYFLGDHFSJFVCO-WDMOLILDSA-N 2 2 331.338 3.033 10 5 EGBELP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872151476 1296768868 /nfs/dbraw/zinc/76/88/68/1296768868.db2.gz KYFLGDHFSJFVCO-WDMOLILDSA-N 2 2 331.338 3.033 10 5 EGBELP O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171640369 323243533 /nfs/dbraw/zinc/24/35/33/323243533.db2.gz ICIAEJWYFWGYSO-ZDUSSCGKSA-N 2 2 330.363 3.063 10 5 EGBELP O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171640369 323243538 /nfs/dbraw/zinc/24/35/38/323243538.db2.gz ICIAEJWYFWGYSO-ZDUSSCGKSA-N 2 2 330.363 3.063 10 5 EGBELP CC1(C)C[C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c2cc([N+](=O)[O-])ccc21 ZINC000353617216 456806539 /nfs/dbraw/zinc/80/65/39/456806539.db2.gz CNLWPPQZFFVMEB-GTNSWQLSSA-N 2 2 326.400 3.187 10 5 EGBELP CC1(C)C[C@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c2cc([N+](=O)[O-])ccc21 ZINC000353617216 456806543 /nfs/dbraw/zinc/80/65/43/456806543.db2.gz CNLWPPQZFFVMEB-GTNSWQLSSA-N 2 2 326.400 3.187 10 5 EGBELP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447529901 458305430 /nfs/dbraw/zinc/30/54/30/458305430.db2.gz MULJPDUNCMGNFJ-TWMKSMIVSA-N 2 2 349.479 3.128 10 5 EGBELP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447529901 458305435 /nfs/dbraw/zinc/30/54/35/458305435.db2.gz MULJPDUNCMGNFJ-TWMKSMIVSA-N 2 2 349.479 3.128 10 5 EGBELP C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccccc1[N+](=O)[O-] ZINC000346189860 141176107 /nfs/dbraw/zinc/17/61/07/141176107.db2.gz ZXPQCVHHZVOSQY-UHFFFAOYSA-N 2 2 328.397 3.474 10 5 EGBELP C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccccc1[N+](=O)[O-] ZINC000346189860 141176109 /nfs/dbraw/zinc/17/61/09/141176109.db2.gz ZXPQCVHHZVOSQY-UHFFFAOYSA-N 2 2 328.397 3.474 10 5 EGBELP CC(C)c1ccc(C[NH2+]CCC[NH2+]Cc2cccnc2)cc1[N+](=O)[O-] ZINC000414875758 309106673 /nfs/dbraw/zinc/10/66/73/309106673.db2.gz JNHQXAIAQBBSCA-UHFFFAOYSA-N 2 2 342.443 3.383 10 5 EGBELP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000414929097 309109885 /nfs/dbraw/zinc/10/98/85/309109885.db2.gz NOLJJKLZOYNYKW-BLLLJJGKSA-N 2 2 331.441 3.411 10 5 EGBELP O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000093769274 454734543 /nfs/dbraw/zinc/73/45/43/454734543.db2.gz QTGQNMBJHLOBDN-UHFFFAOYSA-N 2 2 347.459 3.388 10 5 EGBELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183334017 529761423 /nfs/dbraw/zinc/76/14/23/529761423.db2.gz GAOKFGHMRQJHOK-KRWDZBQOSA-N 2 2 328.416 3.499 10 5 EGBELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183334017 529761424 /nfs/dbraw/zinc/76/14/24/529761424.db2.gz GAOKFGHMRQJHOK-KRWDZBQOSA-N 2 2 328.416 3.499 10 5 EGBELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000175722672 265132374 /nfs/dbraw/zinc/13/23/74/265132374.db2.gz SMPYPVLCMPJDRU-DOMZBBRYSA-N 2 2 325.840 3.410 10 5 EGBELP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000175722672 265132376 /nfs/dbraw/zinc/13/23/76/265132376.db2.gz SMPYPVLCMPJDRU-DOMZBBRYSA-N 2 2 325.840 3.410 10 5 EGBELP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000175722672 265132378 /nfs/dbraw/zinc/13/23/78/265132378.db2.gz SMPYPVLCMPJDRU-DOMZBBRYSA-N 2 2 325.840 3.410 10 5 EGBELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000175722672 265132380 /nfs/dbraw/zinc/13/23/80/265132380.db2.gz SMPYPVLCMPJDRU-DOMZBBRYSA-N 2 2 325.840 3.410 10 5 EGBELP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000414929100 309109873 /nfs/dbraw/zinc/10/98/73/309109873.db2.gz NOLJJKLZOYNYKW-WBMJQRKESA-N 2 2 331.441 3.411 10 5 EGBELP O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCC4(CC[NH2+]4)CC3)o2)cc1 ZINC000422559445 309361707 /nfs/dbraw/zinc/36/17/07/309361707.db2.gz CYZZBTWRFMXUDK-UHFFFAOYSA-N 2 2 327.384 3.183 10 5 EGBELP Cc1cccc(NC[C@H]2CC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)[nH+]1 ZINC000171648381 323245021 /nfs/dbraw/zinc/24/50/21/323245021.db2.gz OAGPQGHXNCNHBB-CQSZACIVSA-N 2 2 344.390 3.371 10 5 EGBELP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)[nH+]1 ZINC000171648381 323245025 /nfs/dbraw/zinc/24/50/25/323245025.db2.gz OAGPQGHXNCNHBB-CQSZACIVSA-N 2 2 344.390 3.371 10 5 EGBELP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000290787113 456430873 /nfs/dbraw/zinc/43/08/73/456430873.db2.gz CRVYPGMKKZRFLT-SNVBAGLBSA-N 2 2 332.231 3.333 10 5 EGBELP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000290787113 456430876 /nfs/dbraw/zinc/43/08/76/456430876.db2.gz CRVYPGMKKZRFLT-SNVBAGLBSA-N 2 2 332.231 3.333 10 5 EGBELP O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3cccc4[nH+]ccn43)c2c1 ZINC000575781909 460002843 /nfs/dbraw/zinc/00/28/43/460002843.db2.gz VTAWHCOPTKOIEP-UHFFFAOYSA-N 2 2 335.367 3.056 10 5 EGBELP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000925763212 1325291160 /nfs/dbraw/zinc/29/11/60/1325291160.db2.gz QYZSLBBNQJNGRR-STQMWFEESA-N 2 2 342.237 3.107 10 5 EGBELP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000336876880 154227683 /nfs/dbraw/zinc/22/76/83/154227683.db2.gz VQAVMHQTMVFSEC-CQSZACIVSA-N 2 2 326.400 3.309 10 5 EGBELP COc1ccc(-c2ccc(C[NH2+][C@@H]3CCCC[NH2+]C3)o2)c([N+](=O)[O-])c1 ZINC000415064049 309117720 /nfs/dbraw/zinc/11/77/20/309117720.db2.gz BNUXSUCXKKZFIA-CYBMUJFWSA-N 2 2 345.399 3.095 10 5 EGBELP O=[N+]([O-])c1cccc(-c2ccc(C[NH+]3CCC4(CC[NH2+]4)CC3)o2)c1 ZINC000422564307 309361753 /nfs/dbraw/zinc/36/17/53/309361753.db2.gz VPNAQESYSVSOLW-UHFFFAOYSA-N 2 2 327.384 3.183 10 5 EGBELP Cc1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000079080514 454365243 /nfs/dbraw/zinc/36/52/43/454365243.db2.gz RBEOJFDDZUWWIF-UHFFFAOYSA-N 2 2 326.400 3.057 10 5 EGBELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000106213340 454687006 /nfs/dbraw/zinc/68/70/06/454687006.db2.gz GGAWDELKUXZGQI-INIZCTEOSA-N 2 2 344.415 3.070 10 5 EGBELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000106213340 454687008 /nfs/dbraw/zinc/68/70/08/454687008.db2.gz GGAWDELKUXZGQI-INIZCTEOSA-N 2 2 344.415 3.070 10 5 EGBELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000247235689 455576841 /nfs/dbraw/zinc/57/68/41/455576841.db2.gz SMPYPVLCMPJDRU-SWLSCSKDSA-N 2 2 325.840 3.410 10 5 EGBELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000247235689 455576842 /nfs/dbraw/zinc/57/68/42/455576842.db2.gz SMPYPVLCMPJDRU-SWLSCSKDSA-N 2 2 325.840 3.410 10 5 EGBELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000247235689 455576845 /nfs/dbraw/zinc/57/68/45/455576845.db2.gz SMPYPVLCMPJDRU-SWLSCSKDSA-N 2 2 325.840 3.410 10 5 EGBELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000247235689 455576846 /nfs/dbraw/zinc/57/68/46/455576846.db2.gz SMPYPVLCMPJDRU-SWLSCSKDSA-N 2 2 325.840 3.410 10 5 EGBELP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)CCC2 ZINC000192654529 455662506 /nfs/dbraw/zinc/66/25/06/455662506.db2.gz MAVOBFBHKHHZRT-SFHVURJKSA-N 2 2 349.394 3.343 10 5 EGBELP Cc1cc(NC[C@@H](C)[N@H+](C)C2CC2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301226210 456826599 /nfs/dbraw/zinc/82/65/99/456826599.db2.gz GPONNADGCAUPLB-CYBMUJFWSA-N 2 2 341.415 3.255 10 5 EGBELP Cc1cc(NC[C@@H](C)[N@@H+](C)C2CC2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301226210 456826601 /nfs/dbraw/zinc/82/66/01/456826601.db2.gz GPONNADGCAUPLB-CYBMUJFWSA-N 2 2 341.415 3.255 10 5 EGBELP COc1ccc(-c2ccc(C[NH2+]C3CC([NH+](C)C)C3)o2)c([N+](=O)[O-])c1 ZINC000522014369 459203666 /nfs/dbraw/zinc/20/36/66/459203666.db2.gz OTOFGJFIDAPMOG-UHFFFAOYSA-N 2 2 345.399 3.046 10 5 EGBELP O=[N+]([O-])c1ccc(C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C2CC2)cc1 ZINC000596979204 459808607 /nfs/dbraw/zinc/80/86/07/459808607.db2.gz ISLIKJMPKYCTMX-UHFFFAOYSA-N 2 2 349.394 3.340 10 5 EGBELP O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C2CC2)cc1 ZINC000596979204 459808614 /nfs/dbraw/zinc/80/86/14/459808614.db2.gz ISLIKJMPKYCTMX-UHFFFAOYSA-N 2 2 349.394 3.340 10 5 EGBELP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000866707787 1330143346 /nfs/dbraw/zinc/14/33/46/1330143346.db2.gz WLIHBPAKGKEXJA-INIZCTEOSA-N 2 2 325.840 3.445 10 5 EGBELP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000866707787 1330143348 /nfs/dbraw/zinc/14/33/48/1330143348.db2.gz WLIHBPAKGKEXJA-INIZCTEOSA-N 2 2 325.840 3.445 10 5 EGBELP CC1(C)C[C@@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c2cc([N+](=O)[O-])ccc21 ZINC000353617217 456805903 /nfs/dbraw/zinc/80/59/03/456805903.db2.gz CNLWPPQZFFVMEB-PIGZYNQJSA-N 2 2 326.400 3.187 10 5 EGBELP CC1(C)C[C@@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c2cc([N+](=O)[O-])ccc21 ZINC000353617217 456805907 /nfs/dbraw/zinc/80/59/07/456805907.db2.gz CNLWPPQZFFVMEB-PIGZYNQJSA-N 2 2 326.400 3.187 10 5 EGBELP O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000599023209 460130761 /nfs/dbraw/zinc/13/07/61/460130761.db2.gz CRAASUBLNHNIIX-UHFFFAOYSA-N 2 2 340.427 3.455 10 5 EGBELP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872151474 1296770864 /nfs/dbraw/zinc/77/08/64/1296770864.db2.gz KYFLGDHFSJFVCO-MISXGVKJSA-N 2 2 331.338 3.033 10 5 EGBELP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872151474 1296770877 /nfs/dbraw/zinc/77/08/77/1296770877.db2.gz KYFLGDHFSJFVCO-MISXGVKJSA-N 2 2 331.338 3.033 10 5 EGBELP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001198821540 1369121744 /nfs/dbraw/zinc/12/17/44/1369121744.db2.gz SQEFZPMJWKRLMD-ZYSHUDEJSA-N 2 2 329.444 3.464 10 5 EGBELP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001198821540 1369121748 /nfs/dbraw/zinc/12/17/48/1369121748.db2.gz SQEFZPMJWKRLMD-ZYSHUDEJSA-N 2 2 329.444 3.464 10 5 EGBELP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1C[C@@]23C[N@H+](C)C[C@]2(C1)CCCC3 ZINC001198821540 1369121750 /nfs/dbraw/zinc/12/17/50/1369121750.db2.gz SQEFZPMJWKRLMD-ZYSHUDEJSA-N 2 2 329.444 3.464 10 5 EGBELP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1C[C@@]23C[N@@H+](C)C[C@]2(C1)CCCC3 ZINC001198821540 1369121754 /nfs/dbraw/zinc/12/17/54/1369121754.db2.gz SQEFZPMJWKRLMD-ZYSHUDEJSA-N 2 2 329.444 3.464 10 5 EGBELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000154146325 224209880 /nfs/dbraw/zinc/20/98/80/224209880.db2.gz MLPFABLNNNFXQA-CQSZACIVSA-N 2 2 334.807 3.418 10 5 EGBELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000154146325 224209885 /nfs/dbraw/zinc/20/98/85/224209885.db2.gz MLPFABLNNNFXQA-CQSZACIVSA-N 2 2 334.807 3.418 10 5 EGBELP CCC1([NH+]2CCOCC2)CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000599083342 460155471 /nfs/dbraw/zinc/15/54/71/460155471.db2.gz IXTFPCDDLKJNFK-MRXNPFEDSA-N 2 2 347.459 3.233 10 5 EGBELP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000610476541 460159720 /nfs/dbraw/zinc/15/97/20/460159720.db2.gz GLFGHGDBNRKFDV-MRXNPFEDSA-N 2 2 330.388 3.027 10 5 EGBELP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000610476541 460159728 /nfs/dbraw/zinc/15/97/28/460159728.db2.gz GLFGHGDBNRKFDV-MRXNPFEDSA-N 2 2 330.388 3.027 10 5 EGBELP CCC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CCOC)c1cccc([N+](=O)[O-])c1 ZINC000163378585 276044937 /nfs/dbraw/zinc/04/49/37/276044937.db2.gz MXEFAXYUCSALIT-MSOLQXFVSA-N 2 2 335.448 3.136 10 5 EGBELP CCC[C@H]([NH2+]C[C@H]1CCC[N@H+]1CCOC)c1cccc([N+](=O)[O-])c1 ZINC000163378585 276044939 /nfs/dbraw/zinc/04/49/39/276044939.db2.gz MXEFAXYUCSALIT-MSOLQXFVSA-N 2 2 335.448 3.136 10 5 EGBELP O=[N+]([O-])c1cccc([C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2ccccc2)c1 ZINC000427846365 309536852 /nfs/dbraw/zinc/53/68/52/309536852.db2.gz HHEHIONLENDLRV-FXAWDEMLSA-N 2 2 348.406 3.485 10 5 EGBELP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000600728618 460581873 /nfs/dbraw/zinc/58/18/73/460581873.db2.gz VTRUURCDWFDXDN-SCDSUCTJSA-N 2 2 331.338 3.115 10 5 EGBELP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000600728618 460581877 /nfs/dbraw/zinc/58/18/77/460581877.db2.gz VTRUURCDWFDXDN-SCDSUCTJSA-N 2 2 331.338 3.115 10 5 EGBELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000105897980 454665782 /nfs/dbraw/zinc/66/57/82/454665782.db2.gz DDKURIYSXKMMJR-ZDUSSCGKSA-N 2 2 332.379 3.330 10 5 EGBELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000105897980 454665788 /nfs/dbraw/zinc/66/57/88/454665788.db2.gz DDKURIYSXKMMJR-ZDUSSCGKSA-N 2 2 332.379 3.330 10 5 EGBELP [NH3+]CC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCc1ccccc1 ZINC000566797307 459002251 /nfs/dbraw/zinc/00/22/51/459002251.db2.gz USUXMMXZOPKJLF-POHAHGRESA-N 2 2 325.412 3.111 10 5 EGBELP [NH3+]CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCc1ccccc1 ZINC000566797307 459002259 /nfs/dbraw/zinc/00/22/59/459002259.db2.gz USUXMMXZOPKJLF-POHAHGRESA-N 2 2 325.412 3.111 10 5 EGBELP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC34CC(C3)C[NH2+]4)s2)cc1 ZINC000596103528 459521963 /nfs/dbraw/zinc/52/19/63/459521963.db2.gz MIGCNWXFSLRAEA-UHFFFAOYSA-N 2 2 329.425 3.165 10 5 EGBELP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000610272681 460100798 /nfs/dbraw/zinc/10/07/98/460100798.db2.gz AOQCONMSBJQPIZ-GOSISDBHSA-N 2 2 336.395 3.402 10 5 EGBELP Cc1cc[nH+]cc1N1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601159466 460736283 /nfs/dbraw/zinc/73/62/83/460736283.db2.gz IDRSARPDSIURHX-UHFFFAOYSA-N 2 2 349.394 3.173 10 5 EGBELP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000414896507 309108126 /nfs/dbraw/zinc/10/81/26/309108126.db2.gz PBVSXQWHLNYUDX-RTBURBONSA-N 2 2 343.402 3.278 10 5 EGBELP C[C@H]1C[C@@H]([NH+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC[N@@H+]1C ZINC000089908028 454231596 /nfs/dbraw/zinc/23/15/96/454231596.db2.gz QKPOGSJDFQUVAQ-GUYCJALGSA-N 2 2 344.415 3.164 10 5 EGBELP C[C@H]1C[C@@H]([NH+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC[N@H+]1C ZINC000089908028 454231599 /nfs/dbraw/zinc/23/15/99/454231599.db2.gz QKPOGSJDFQUVAQ-GUYCJALGSA-N 2 2 344.415 3.164 10 5 EGBELP C[C@H]1C[C@@H]([N@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC[NH+]1C ZINC000089908028 454231605 /nfs/dbraw/zinc/23/16/05/454231605.db2.gz QKPOGSJDFQUVAQ-GUYCJALGSA-N 2 2 344.415 3.164 10 5 EGBELP C[C@H]1C[C@@H]([N@@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC[NH+]1C ZINC000089908028 454231613 /nfs/dbraw/zinc/23/16/13/454231613.db2.gz QKPOGSJDFQUVAQ-GUYCJALGSA-N 2 2 344.415 3.164 10 5 EGBELP Cc1c([C@@H](C)[NH2+]Cc2cccnc2-n2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000151508902 454995096 /nfs/dbraw/zinc/99/50/96/454995096.db2.gz GGLBCMREYRTHQQ-CQSZACIVSA-N 2 2 337.383 3.335 10 5 EGBELP Cc1cc(NC[C@@H]2CCC[N@@H+](C)C2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301241367 456830712 /nfs/dbraw/zinc/83/07/12/456830712.db2.gz OKGFSWIMOOXYPO-AWEZNQCLSA-N 2 2 341.415 3.114 10 5 EGBELP Cc1cc(NC[C@@H]2CCC[N@H+](C)C2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301241367 456830718 /nfs/dbraw/zinc/83/07/18/456830718.db2.gz OKGFSWIMOOXYPO-AWEZNQCLSA-N 2 2 341.415 3.114 10 5 EGBELP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595908184 459481361 /nfs/dbraw/zinc/48/13/61/459481361.db2.gz ZNANHVGQGPTPSO-DOTOQJQBSA-N 2 2 335.448 3.007 10 5 EGBELP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595908184 459481366 /nfs/dbraw/zinc/48/13/66/459481366.db2.gz ZNANHVGQGPTPSO-DOTOQJQBSA-N 2 2 335.448 3.007 10 5 EGBELP O=[N+]([O-])c1ccccc1C[N@H+](Cc1ccnn1-c1cc[nH+]cc1)C1CC1 ZINC000596979272 459808851 /nfs/dbraw/zinc/80/88/51/459808851.db2.gz JMJVFVNUDMDNLI-UHFFFAOYSA-N 2 2 349.394 3.340 10 5 EGBELP O=[N+]([O-])c1ccccc1C[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)C1CC1 ZINC000596979272 459808855 /nfs/dbraw/zinc/80/88/55/459808855.db2.gz JMJVFVNUDMDNLI-UHFFFAOYSA-N 2 2 349.394 3.340 10 5 EGBELP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000610272682 460100610 /nfs/dbraw/zinc/10/06/10/460100610.db2.gz AOQCONMSBJQPIZ-SFHVURJKSA-N 2 2 336.395 3.402 10 5 EGBELP C[N@H+](CC1CC1)C[C@H]1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599054751 460142936 /nfs/dbraw/zinc/14/29/36/460142936.db2.gz NGADJBBNBLMYIE-OAHLLOKOSA-N 2 2 340.427 3.311 10 5 EGBELP C[N@@H+](CC1CC1)C[C@H]1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599054751 460142940 /nfs/dbraw/zinc/14/29/40/460142940.db2.gz NGADJBBNBLMYIE-OAHLLOKOSA-N 2 2 340.427 3.311 10 5 EGBELP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1c(F)cccc1[N+](=O)[O-] ZINC000872021030 1296664058 /nfs/dbraw/zinc/66/40/58/1296664058.db2.gz MXKNEWDEXHHDGG-GFCCVEGCSA-N 2 2 332.379 3.160 10 5 EGBELP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000866706114 1330143324 /nfs/dbraw/zinc/14/33/24/1330143324.db2.gz MCSCLNBSTLCIKT-MRXNPFEDSA-N 2 2 325.840 3.445 10 5 EGBELP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000866706114 1330143327 /nfs/dbraw/zinc/14/33/27/1330143327.db2.gz MCSCLNBSTLCIKT-MRXNPFEDSA-N 2 2 325.840 3.445 10 5 EGBELP C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001307670343 1384010451 /nfs/dbraw/zinc/01/04/51/1384010451.db2.gz RAHOISPNNNOVNE-DZGCQCFKSA-N 2 2 335.423 3.477 10 5 EGBELP C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001307670343 1384010457 /nfs/dbraw/zinc/01/04/57/1384010457.db2.gz RAHOISPNNNOVNE-DZGCQCFKSA-N 2 2 335.423 3.477 10 5 EGBELP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000095431717 218373311 /nfs/dbraw/zinc/37/33/11/218373311.db2.gz XODZVGQZRXUQBK-OAHLLOKOSA-N 2 2 340.427 3.305 10 5 EGBELP [NH3+][C@@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccccc1 ZINC000423247152 309392204 /nfs/dbraw/zinc/39/22/04/309392204.db2.gz QCZROXMZKULOBP-ROUUACIJSA-N 2 2 325.412 3.206 10 5 EGBELP CCOc1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000276862868 456601997 /nfs/dbraw/zinc/60/19/97/456601997.db2.gz GRDLLDVOGWRQSV-UHFFFAOYSA-N 2 2 330.388 3.096 10 5 EGBELP C[C@@H](C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000425942524 457657428 /nfs/dbraw/zinc/65/74/28/457657428.db2.gz FTVATWJGNWTZJW-KXBFYZLASA-N 2 2 327.428 3.472 10 5 EGBELP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CCc4[nH+]c[nH]c4C3)o2)cc1 ZINC000370731400 457708071 /nfs/dbraw/zinc/70/80/71/457708071.db2.gz WIUZBPDUJBGDBX-ZDUSSCGKSA-N 2 2 338.367 3.225 10 5 EGBELP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CCc4[nH]c[nH+]c4C3)o2)cc1 ZINC000370731400 457708072 /nfs/dbraw/zinc/70/80/72/457708072.db2.gz WIUZBPDUJBGDBX-ZDUSSCGKSA-N 2 2 338.367 3.225 10 5 EGBELP CCC1([NH+]2CCOCC2)CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000599083341 460155035 /nfs/dbraw/zinc/15/50/35/460155035.db2.gz IXTFPCDDLKJNFK-INIZCTEOSA-N 2 2 347.459 3.233 10 5 EGBELP [NH3+][C@H]1CC[C@H](N(Cc2csc([N+](=O)[O-])c2)c2cccc[nH+]2)CC1 ZINC000895111121 1309194707 /nfs/dbraw/zinc/19/47/07/1309194707.db2.gz MPUKGJILVOCBDW-HDJSIYSDSA-N 2 2 332.429 3.328 10 5 EGBELP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000245519658 281021484 /nfs/dbraw/zinc/02/14/84/281021484.db2.gz ITZRNNQMBVHQPB-HOTGVXAUSA-N 2 2 347.459 3.149 10 5 EGBELP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000245519658 281021486 /nfs/dbraw/zinc/02/14/86/281021486.db2.gz ITZRNNQMBVHQPB-HOTGVXAUSA-N 2 2 347.459 3.149 10 5 EGBELP C[C@@H]([NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[C@H](C)[NH3+] ZINC000415018353 309114546 /nfs/dbraw/zinc/11/45/46/309114546.db2.gz QUXSRMQINNQIRX-NWDGAFQWSA-N 2 2 333.363 3.352 10 5 EGBELP C[C@@H]1C[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@]1(C)C[NH3+] ZINC000415057322 309117263 /nfs/dbraw/zinc/11/72/63/309117263.db2.gz SALPBKNMLDSZTH-SJKOYZFVSA-N 2 2 346.456 3.135 10 5 EGBELP C[C@@H]1C[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@]1(C)C[NH3+] ZINC000415057322 309117264 /nfs/dbraw/zinc/11/72/64/309117264.db2.gz SALPBKNMLDSZTH-SJKOYZFVSA-N 2 2 346.456 3.135 10 5 EGBELP CCC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CCOC)c1cccc([N+](=O)[O-])c1 ZINC000163378716 454842682 /nfs/dbraw/zinc/84/26/82/454842682.db2.gz MXEFAXYUCSALIT-QZTJIDSGSA-N 2 2 335.448 3.136 10 5 EGBELP CCC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CCOC)c1cccc([N+](=O)[O-])c1 ZINC000163378716 454842686 /nfs/dbraw/zinc/84/26/86/454842686.db2.gz MXEFAXYUCSALIT-QZTJIDSGSA-N 2 2 335.448 3.136 10 5 EGBELP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000124039714 222368692 /nfs/dbraw/zinc/36/86/92/222368692.db2.gz WWWZFZROVNPJKI-GOEBONIOSA-N 2 2 335.448 3.297 10 5 EGBELP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000124039714 222368694 /nfs/dbraw/zinc/36/86/94/222368694.db2.gz WWWZFZROVNPJKI-GOEBONIOSA-N 2 2 335.448 3.297 10 5 EGBELP CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000124039714 222368697 /nfs/dbraw/zinc/36/86/97/222368697.db2.gz WWWZFZROVNPJKI-GOEBONIOSA-N 2 2 335.448 3.297 10 5 EGBELP CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000124039714 222368698 /nfs/dbraw/zinc/36/86/98/222368698.db2.gz WWWZFZROVNPJKI-GOEBONIOSA-N 2 2 335.448 3.297 10 5 EGBELP [NH3+]C1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCCCCC1 ZINC000414860219 309106026 /nfs/dbraw/zinc/10/60/26/309106026.db2.gz OWHFLABPYOXGCV-UHFFFAOYSA-N 2 2 343.374 3.338 10 5 EGBELP CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000246468325 455495211 /nfs/dbraw/zinc/49/52/11/455495211.db2.gz GQEZBEDMVCYSBJ-YOEHRIQHSA-N 2 2 335.448 3.156 10 5 EGBELP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000246468325 455495214 /nfs/dbraw/zinc/49/52/14/455495214.db2.gz GQEZBEDMVCYSBJ-YOEHRIQHSA-N 2 2 335.448 3.156 10 5 EGBELP CCOc1ccc([N+](=O)[O-])cc1C[NH+](C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000246468325 455495219 /nfs/dbraw/zinc/49/52/19/455495219.db2.gz GQEZBEDMVCYSBJ-YOEHRIQHSA-N 2 2 335.448 3.156 10 5 EGBELP CCOc1ccc([N+](=O)[O-])cc1C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000246468325 455495225 /nfs/dbraw/zinc/49/52/25/455495225.db2.gz GQEZBEDMVCYSBJ-YOEHRIQHSA-N 2 2 335.448 3.156 10 5 EGBELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433166789 457768217 /nfs/dbraw/zinc/76/82/17/457768217.db2.gz GZLNXOLGULZNAD-CRAIPNDOSA-N 2 2 347.459 3.018 10 5 EGBELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433166789 457768222 /nfs/dbraw/zinc/76/82/22/457768222.db2.gz GZLNXOLGULZNAD-CRAIPNDOSA-N 2 2 347.459 3.018 10 5 EGBELP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447529902 458305911 /nfs/dbraw/zinc/30/59/11/458305911.db2.gz MULJPDUNCMGNFJ-VVLHAWIVSA-N 2 2 349.479 3.128 10 5 EGBELP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447529902 458305915 /nfs/dbraw/zinc/30/59/15/458305915.db2.gz MULJPDUNCMGNFJ-VVLHAWIVSA-N 2 2 349.479 3.128 10 5 EGBELP CC(C)c1ccc(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000597248311 459894141 /nfs/dbraw/zinc/89/41/41/459894141.db2.gz PYICHGUFEMXGQA-QGZVFWFLSA-N 2 2 349.475 3.261 10 5 EGBELP CC(C)c1ccc(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000597248311 459894147 /nfs/dbraw/zinc/89/41/47/459894147.db2.gz PYICHGUFEMXGQA-QGZVFWFLSA-N 2 2 349.475 3.261 10 5 EGBELP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000589196670 460050554 /nfs/dbraw/zinc/05/05/54/460050554.db2.gz RHIRTQUUNMBOQK-UHFFFAOYSA-N 2 2 343.427 3.384 10 5 EGBELP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000589196670 460050560 /nfs/dbraw/zinc/05/05/60/460050560.db2.gz RHIRTQUUNMBOQK-UHFFFAOYSA-N 2 2 343.427 3.384 10 5 EGBELP CCc1ccc([C@H]([NH2+][C@H]2CC[NH2+]C[C@@H]2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423389711 309398202 /nfs/dbraw/zinc/39/82/02/309398202.db2.gz JNSWHOVDVYKCDU-SOVGHPHASA-N 2 2 343.427 3.427 10 5 EGBELP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CC[NH2+]C34CCC4)o2)cc1 ZINC000600678302 460566402 /nfs/dbraw/zinc/56/64/02/460566402.db2.gz IEONJNQXESICJP-QGZVFWFLSA-N 2 2 327.384 3.229 10 5 EGBELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000105897978 454666297 /nfs/dbraw/zinc/66/62/97/454666297.db2.gz DDKURIYSXKMMJR-CYBMUJFWSA-N 2 2 332.379 3.330 10 5 EGBELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000105897978 454666303 /nfs/dbraw/zinc/66/63/03/454666303.db2.gz DDKURIYSXKMMJR-CYBMUJFWSA-N 2 2 332.379 3.330 10 5 EGBELP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000113323918 454923259 /nfs/dbraw/zinc/92/32/59/454923259.db2.gz VZNANTRHXJSTNN-ZDUSSCGKSA-N 2 2 346.456 3.150 10 5 EGBELP CC[N@H+]1CC[C@@H](C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000113323918 454923263 /nfs/dbraw/zinc/92/32/63/454923263.db2.gz VZNANTRHXJSTNN-ZDUSSCGKSA-N 2 2 346.456 3.150 10 5 EGBELP Cc1cc([N+](=O)[O-])ccc1C[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000348819248 456870143 /nfs/dbraw/zinc/87/01/43/456870143.db2.gz WCCZKQQRQTYBFA-UHFFFAOYSA-N 2 2 331.416 3.450 10 5 EGBELP Cc1cc([N+](=O)[O-])ccc1C[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000348819248 456870144 /nfs/dbraw/zinc/87/01/44/456870144.db2.gz WCCZKQQRQTYBFA-UHFFFAOYSA-N 2 2 331.416 3.450 10 5 EGBELP Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000348819248 456870148 /nfs/dbraw/zinc/87/01/48/456870148.db2.gz WCCZKQQRQTYBFA-UHFFFAOYSA-N 2 2 331.416 3.450 10 5 EGBELP Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000348819248 456870152 /nfs/dbraw/zinc/87/01/52/456870152.db2.gz WCCZKQQRQTYBFA-UHFFFAOYSA-N 2 2 331.416 3.450 10 5 EGBELP [NH3+][C@H]1CC[C@H](N(Cc2ccccc2[N+](=O)[O-])c2cccc[nH+]2)CC1 ZINC000895111001 1309195465 /nfs/dbraw/zinc/19/54/65/1309195465.db2.gz HIVPPKGMJDWROS-WKILWMFISA-N 2 2 326.400 3.266 10 5 EGBELP C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001307670345 1384010984 /nfs/dbraw/zinc/01/09/84/1384010984.db2.gz RAHOISPNNNOVNE-UKRRQHHQSA-N 2 2 335.423 3.477 10 5 EGBELP C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001307670345 1384010991 /nfs/dbraw/zinc/01/09/91/1384010991.db2.gz RAHOISPNNNOVNE-UKRRQHHQSA-N 2 2 335.423 3.477 10 5 EGBELP C[C@@H]1C[C@H]([NH+](C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@@H+]1C ZINC000093645063 218238420 /nfs/dbraw/zinc/23/84/20/218238420.db2.gz KIJXKTNRIOVRMC-DGCLKSJQSA-N 2 2 343.374 3.111 10 5 EGBELP C[C@@H]1C[C@H]([NH+](C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@H+]1C ZINC000093645063 218238422 /nfs/dbraw/zinc/23/84/22/218238422.db2.gz KIJXKTNRIOVRMC-DGCLKSJQSA-N 2 2 343.374 3.111 10 5 EGBELP C[C@@H]1C[C@H]([N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[NH+]1C ZINC000093645063 218238425 /nfs/dbraw/zinc/23/84/25/218238425.db2.gz KIJXKTNRIOVRMC-DGCLKSJQSA-N 2 2 343.374 3.111 10 5 EGBELP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[NH+]1C ZINC000093645063 218238426 /nfs/dbraw/zinc/23/84/26/218238426.db2.gz KIJXKTNRIOVRMC-DGCLKSJQSA-N 2 2 343.374 3.111 10 5 EGBELP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000336876879 154227551 /nfs/dbraw/zinc/22/75/51/154227551.db2.gz VQAVMHQTMVFSEC-AWEZNQCLSA-N 2 2 326.400 3.309 10 5 EGBELP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368099887 275040114 /nfs/dbraw/zinc/04/01/14/275040114.db2.gz GLLZTABQGDMERI-NUEKZKHPSA-N 2 2 340.427 3.176 10 5 EGBELP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368099887 275040115 /nfs/dbraw/zinc/04/01/15/275040115.db2.gz GLLZTABQGDMERI-NUEKZKHPSA-N 2 2 340.427 3.176 10 5 EGBELP CCc1ccc([C@H]([NH2+][C@@H]2CC[NH2+]C[C@@H]2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423389709 309398237 /nfs/dbraw/zinc/39/82/37/309398237.db2.gz JNSWHOVDVYKCDU-BOFPYLFWSA-N 2 2 343.427 3.427 10 5 EGBELP C[C@@H]1C[C@@H]([NH+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC[N@@H+]1C ZINC000089908027 454231952 /nfs/dbraw/zinc/23/19/52/454231952.db2.gz QKPOGSJDFQUVAQ-DYVFJYSZSA-N 2 2 344.415 3.164 10 5 EGBELP C[C@@H]1C[C@@H]([NH+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC[N@H+]1C ZINC000089908027 454231957 /nfs/dbraw/zinc/23/19/57/454231957.db2.gz QKPOGSJDFQUVAQ-DYVFJYSZSA-N 2 2 344.415 3.164 10 5 EGBELP C[C@@H]1C[C@@H]([N@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC[NH+]1C ZINC000089908027 454231960 /nfs/dbraw/zinc/23/19/60/454231960.db2.gz QKPOGSJDFQUVAQ-DYVFJYSZSA-N 2 2 344.415 3.164 10 5 EGBELP C[C@@H]1C[C@@H]([N@@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC[NH+]1C ZINC000089908027 454231964 /nfs/dbraw/zinc/23/19/64/454231964.db2.gz QKPOGSJDFQUVAQ-DYVFJYSZSA-N 2 2 344.415 3.164 10 5 EGBELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182216275 455464103 /nfs/dbraw/zinc/46/41/03/455464103.db2.gz IQMWLFAYFKNJBL-HNNXBMFYSA-N 2 2 334.807 3.418 10 5 EGBELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182216275 455464107 /nfs/dbraw/zinc/46/41/07/455464107.db2.gz IQMWLFAYFKNJBL-HNNXBMFYSA-N 2 2 334.807 3.418 10 5 EGBELP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)CCC2 ZINC000192654516 455662676 /nfs/dbraw/zinc/66/26/76/455662676.db2.gz MAVOBFBHKHHZRT-GOSISDBHSA-N 2 2 349.394 3.343 10 5 EGBELP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447529904 458305510 /nfs/dbraw/zinc/30/55/10/458305510.db2.gz MULJPDUNCMGNFJ-YYIAUSFCSA-N 2 2 349.479 3.128 10 5 EGBELP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447529904 458305515 /nfs/dbraw/zinc/30/55/15/458305515.db2.gz MULJPDUNCMGNFJ-YYIAUSFCSA-N 2 2 349.479 3.128 10 5 EGBELP C[C@@H]1C[N@H+](CCCNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCCO1 ZINC000599072342 460151499 /nfs/dbraw/zinc/15/14/99/460151499.db2.gz CHGZWRJUCYXMLI-CQSZACIVSA-N 2 2 344.415 3.056 10 5 EGBELP C[C@@H]1C[N@@H+](CCCNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCCO1 ZINC000599072342 460151508 /nfs/dbraw/zinc/15/15/08/460151508.db2.gz CHGZWRJUCYXMLI-CQSZACIVSA-N 2 2 344.415 3.056 10 5 EGBELP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368099884 168310851 /nfs/dbraw/zinc/31/08/51/168310851.db2.gz GLLZTABQGDMERI-BPUTZDHNSA-N 2 2 340.427 3.176 10 5 EGBELP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368099884 168310853 /nfs/dbraw/zinc/31/08/53/168310853.db2.gz GLLZTABQGDMERI-BPUTZDHNSA-N 2 2 340.427 3.176 10 5 EGBELP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000245519662 281019816 /nfs/dbraw/zinc/01/98/16/281019816.db2.gz ITZRNNQMBVHQPB-JKSUJKDBSA-N 2 2 347.459 3.149 10 5 EGBELP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000245519662 281019818 /nfs/dbraw/zinc/01/98/18/281019818.db2.gz ITZRNNQMBVHQPB-JKSUJKDBSA-N 2 2 347.459 3.149 10 5 EGBELP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000423385187 309398098 /nfs/dbraw/zinc/39/80/98/309398098.db2.gz QNTOQNLGGINZDW-LJHODMEESA-N 2 2 325.412 3.414 10 5 EGBELP COc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000352783300 456303698 /nfs/dbraw/zinc/30/36/98/456303698.db2.gz JESIROPQXCHWLJ-WBVHZDCISA-N 2 2 345.443 3.052 10 5 EGBELP COc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000352783300 456303707 /nfs/dbraw/zinc/30/37/07/456303707.db2.gz JESIROPQXCHWLJ-WBVHZDCISA-N 2 2 345.443 3.052 10 5 EGBELP COc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000352783300 456303715 /nfs/dbraw/zinc/30/37/15/456303715.db2.gz JESIROPQXCHWLJ-WBVHZDCISA-N 2 2 345.443 3.052 10 5 EGBELP COc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000352783300 456303722 /nfs/dbraw/zinc/30/37/22/456303722.db2.gz JESIROPQXCHWLJ-WBVHZDCISA-N 2 2 345.443 3.052 10 5 EGBELP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447529903 458305685 /nfs/dbraw/zinc/30/56/85/458305685.db2.gz MULJPDUNCMGNFJ-YVSFHVDLSA-N 2 2 349.479 3.128 10 5 EGBELP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447529903 458305692 /nfs/dbraw/zinc/30/56/92/458305692.db2.gz MULJPDUNCMGNFJ-YVSFHVDLSA-N 2 2 349.479 3.128 10 5 EGBELP C[C@H]1C[N@H+](CCCNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCCO1 ZINC000599072341 460152320 /nfs/dbraw/zinc/15/23/20/460152320.db2.gz CHGZWRJUCYXMLI-AWEZNQCLSA-N 2 2 344.415 3.056 10 5 EGBELP C[C@H]1C[N@@H+](CCCNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCCO1 ZINC000599072341 460152326 /nfs/dbraw/zinc/15/23/26/460152326.db2.gz CHGZWRJUCYXMLI-AWEZNQCLSA-N 2 2 344.415 3.056 10 5 EGBELP [NH3+][C@H]1CC[C@H](N(CCc2ccc([N+](=O)[O-])cc2)c2cccc[nH+]2)CC1 ZINC000895111180 1309195085 /nfs/dbraw/zinc/19/50/85/1309195085.db2.gz BBFYJMDLUZMETJ-QAQDUYKDSA-N 2 2 340.427 3.309 10 5 EGBELP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000184735188 144098420 /nfs/dbraw/zinc/09/84/20/144098420.db2.gz SBHLQEVBNZQHLV-OAHLLOKOSA-N 2 2 328.416 3.091 10 5 EGBELP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000184735188 144098422 /nfs/dbraw/zinc/09/84/22/144098422.db2.gz SBHLQEVBNZQHLV-OAHLLOKOSA-N 2 2 328.416 3.091 10 5 EGBELP Cc1c[nH+]cn1C1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413270208 309024318 /nfs/dbraw/zinc/02/43/18/309024318.db2.gz QLQGZZKECQMEFS-UHFFFAOYSA-N 2 2 337.383 3.489 10 5 EGBELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000106212462 454685941 /nfs/dbraw/zinc/68/59/41/454685941.db2.gz GKVXOCYQXVNHRQ-MRXNPFEDSA-N 2 2 344.415 3.070 10 5 EGBELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000106212462 454685946 /nfs/dbraw/zinc/68/59/46/454685946.db2.gz GKVXOCYQXVNHRQ-MRXNPFEDSA-N 2 2 344.415 3.070 10 5 EGBELP C[N@@H+]1CC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000283867335 455605751 /nfs/dbraw/zinc/60/57/51/455605751.db2.gz DKYGDAXOZSBOQY-MOPGFXCFSA-N 2 2 325.412 3.172 10 5 EGBELP C[N@H+]1CC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000283867335 455605754 /nfs/dbraw/zinc/60/57/54/455605754.db2.gz DKYGDAXOZSBOQY-MOPGFXCFSA-N 2 2 325.412 3.172 10 5 EGBELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255764846 455873834 /nfs/dbraw/zinc/87/38/34/455873834.db2.gz AIICQQSRKUISSK-IMXKFXGHSA-N 2 2 326.400 3.278 10 5 EGBELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255764846 455873836 /nfs/dbraw/zinc/87/38/36/455873836.db2.gz AIICQQSRKUISSK-IMXKFXGHSA-N 2 2 326.400 3.278 10 5 EGBELP CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374211086 457523770 /nfs/dbraw/zinc/52/37/70/457523770.db2.gz XOPWGTVLWOBCGW-UHFFFAOYSA-N 2 2 330.388 3.096 10 5 EGBELP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592479426 459609849 /nfs/dbraw/zinc/60/98/49/459609849.db2.gz YAKHRJFKSFKHED-QAPCUYQASA-N 2 2 347.459 3.346 10 5 EGBELP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592479426 459609854 /nfs/dbraw/zinc/60/98/54/459609854.db2.gz YAKHRJFKSFKHED-QAPCUYQASA-N 2 2 347.459 3.346 10 5 EGBELP CSC1(CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000599084668 460156141 /nfs/dbraw/zinc/15/61/41/460156141.db2.gz DWHFBYLZPPLDLK-UHFFFAOYSA-N 2 2 346.456 3.382 10 5 EGBELP C[C@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1n1cc[nH+]c1 ZINC000129387950 223051157 /nfs/dbraw/zinc/05/11/57/223051157.db2.gz CIUHOVIOGRUQBH-YJBOKZPZSA-N 2 2 344.415 3.143 10 5 EGBELP C[C@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1n1cc[nH+]c1 ZINC000129387950 223051160 /nfs/dbraw/zinc/05/11/60/223051160.db2.gz CIUHOVIOGRUQBH-YJBOKZPZSA-N 2 2 344.415 3.143 10 5 EGBELP CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000079462157 217226930 /nfs/dbraw/zinc/22/69/30/217226930.db2.gz GQEZBEDMVCYSBJ-RHSMWYFYSA-N 2 2 335.448 3.156 10 5 EGBELP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000079462157 217226933 /nfs/dbraw/zinc/22/69/33/217226933.db2.gz GQEZBEDMVCYSBJ-RHSMWYFYSA-N 2 2 335.448 3.156 10 5 EGBELP CCOc1ccc([N+](=O)[O-])cc1C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000079462157 217226936 /nfs/dbraw/zinc/22/69/36/217226936.db2.gz GQEZBEDMVCYSBJ-RHSMWYFYSA-N 2 2 335.448 3.156 10 5 EGBELP CCOc1ccc([N+](=O)[O-])cc1C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000079462157 217226937 /nfs/dbraw/zinc/22/69/37/217226937.db2.gz GQEZBEDMVCYSBJ-RHSMWYFYSA-N 2 2 335.448 3.156 10 5 EGBELP O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000092812489 218171010 /nfs/dbraw/zinc/17/10/10/218171010.db2.gz OQDDKICIXYDBLH-BIENSFFJSA-N 2 2 338.411 3.437 10 5 EGBELP O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000092812489 218171012 /nfs/dbraw/zinc/17/10/12/218171012.db2.gz OQDDKICIXYDBLH-BIENSFFJSA-N 2 2 338.411 3.437 10 5 EGBELP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000124039895 222368560 /nfs/dbraw/zinc/36/85/60/222368560.db2.gz WWWZFZROVNPJKI-ZBFHGGJFSA-N 2 2 335.448 3.297 10 5 EGBELP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000124039895 222368562 /nfs/dbraw/zinc/36/85/62/222368562.db2.gz WWWZFZROVNPJKI-ZBFHGGJFSA-N 2 2 335.448 3.297 10 5 EGBELP CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000124039895 222368565 /nfs/dbraw/zinc/36/85/65/222368565.db2.gz WWWZFZROVNPJKI-ZBFHGGJFSA-N 2 2 335.448 3.297 10 5 EGBELP CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000124039895 222368567 /nfs/dbraw/zinc/36/85/67/222368567.db2.gz WWWZFZROVNPJKI-ZBFHGGJFSA-N 2 2 335.448 3.297 10 5 EGBELP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000600728617 460581665 /nfs/dbraw/zinc/58/16/65/460581665.db2.gz VTRUURCDWFDXDN-QKCSRTOESA-N 2 2 331.338 3.115 10 5 EGBELP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000600728617 460581670 /nfs/dbraw/zinc/58/16/70/460581670.db2.gz VTRUURCDWFDXDN-QKCSRTOESA-N 2 2 331.338 3.115 10 5 EGBELP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000596648560 459713962 /nfs/dbraw/zinc/71/39/62/459713962.db2.gz RIAGUXIQOXPGHS-NIKGAXFTSA-N 2 2 325.412 3.391 10 5 EGBELP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000599621554 460289251 /nfs/dbraw/zinc/28/92/51/460289251.db2.gz FJRMFESWLLKSIE-INIZCTEOSA-N 2 2 347.459 3.151 10 5 EGBELP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1c(F)cccc1[N+](=O)[O-] ZINC000872021041 1296664016 /nfs/dbraw/zinc/66/40/16/1296664016.db2.gz MXKNEWDEXHHDGG-LBPRGKRZSA-N 2 2 332.379 3.160 10 5 EGBELP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000415018354 309114535 /nfs/dbraw/zinc/11/45/35/309114535.db2.gz QUXSRMQINNQIRX-RYUDHWBXSA-N 2 2 333.363 3.352 10 5 EGBELP [NH3+][C@@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccccc1 ZINC000423247153 309392231 /nfs/dbraw/zinc/39/22/31/309392231.db2.gz QCZROXMZKULOBP-ZWKOTPCHSA-N 2 2 325.412 3.206 10 5 EGBELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000247235699 455576810 /nfs/dbraw/zinc/57/68/10/455576810.db2.gz SMPYPVLCMPJDRU-WFASDCNBSA-N 2 2 325.840 3.410 10 5 EGBELP Cc1cc[nH+]c(N2CC[NH+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000166043403 454907572 /nfs/dbraw/zinc/90/75/72/454907572.db2.gz DONCTPREOZWAEG-HNNXBMFYSA-N 2 2 326.400 3.181 10 5 EGBELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000247235699 455576807 /nfs/dbraw/zinc/57/68/07/455576807.db2.gz SMPYPVLCMPJDRU-WFASDCNBSA-N 2 2 325.840 3.410 10 5 EGBELP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000247235699 455576808 /nfs/dbraw/zinc/57/68/08/455576808.db2.gz SMPYPVLCMPJDRU-WFASDCNBSA-N 2 2 325.840 3.410 10 5 EGBELP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000247235699 455576809 /nfs/dbraw/zinc/57/68/09/455576809.db2.gz SMPYPVLCMPJDRU-WFASDCNBSA-N 2 2 325.840 3.410 10 5 EGBELP C[N@@H+]1CC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000283867344 455605117 /nfs/dbraw/zinc/60/51/17/455605117.db2.gz DKYGDAXOZSBOQY-RTBURBONSA-N 2 2 325.412 3.172 10 5 EGBELP C[N@H+]1CC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000283867344 455605120 /nfs/dbraw/zinc/60/51/20/455605120.db2.gz DKYGDAXOZSBOQY-RTBURBONSA-N 2 2 325.412 3.172 10 5 EGBELP O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000255493803 455868006 /nfs/dbraw/zinc/86/80/06/455868006.db2.gz OQDDKICIXYDBLH-WRLNGNIRSA-N 2 2 338.411 3.437 10 5 EGBELP O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000255493803 455868009 /nfs/dbraw/zinc/86/80/09/455868009.db2.gz OQDDKICIXYDBLH-WRLNGNIRSA-N 2 2 338.411 3.437 10 5 EGBELP COc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000352783298 456303061 /nfs/dbraw/zinc/30/30/61/456303061.db2.gz JESIROPQXCHWLJ-NVXWUHKLSA-N 2 2 345.443 3.052 10 5 EGBELP COc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000352783298 456303064 /nfs/dbraw/zinc/30/30/64/456303064.db2.gz JESIROPQXCHWLJ-NVXWUHKLSA-N 2 2 345.443 3.052 10 5 EGBELP COc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000352783298 456303068 /nfs/dbraw/zinc/30/30/68/456303068.db2.gz JESIROPQXCHWLJ-NVXWUHKLSA-N 2 2 345.443 3.052 10 5 EGBELP COc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000352783298 456303074 /nfs/dbraw/zinc/30/30/74/456303074.db2.gz JESIROPQXCHWLJ-NVXWUHKLSA-N 2 2 345.443 3.052 10 5 EGBELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000346189851 141176194 /nfs/dbraw/zinc/17/61/94/141176194.db2.gz ZTFNBBOTQHIWCK-UHFFFAOYSA-N 2 2 337.383 3.116 10 5 EGBELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000346189851 141176197 /nfs/dbraw/zinc/17/61/97/141176197.db2.gz ZTFNBBOTQHIWCK-UHFFFAOYSA-N 2 2 337.383 3.116 10 5 EGBELP C[NH+]1CCC([NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000180013571 265393257 /nfs/dbraw/zinc/39/32/57/265393257.db2.gz XUPUKFLXENTMNY-LJQANCHMSA-N 2 2 325.412 3.368 10 5 EGBELP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420401665 309286463 /nfs/dbraw/zinc/28/64/63/309286463.db2.gz POKXFTBLLUMLOI-QAPCUYQASA-N 2 2 347.459 3.346 10 5 EGBELP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420401665 309286464 /nfs/dbraw/zinc/28/64/64/309286464.db2.gz POKXFTBLLUMLOI-QAPCUYQASA-N 2 2 347.459 3.346 10 5 EGBELP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000423385163 309398258 /nfs/dbraw/zinc/39/82/58/309398258.db2.gz QNTOQNLGGINZDW-BJZITVGISA-N 2 2 325.412 3.414 10 5 EGBELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433166791 457767239 /nfs/dbraw/zinc/76/72/39/457767239.db2.gz GZLNXOLGULZNAD-MAUKXSAKSA-N 2 2 347.459 3.018 10 5 EGBELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433166791 457767246 /nfs/dbraw/zinc/76/72/46/457767246.db2.gz GZLNXOLGULZNAD-MAUKXSAKSA-N 2 2 347.459 3.018 10 5 EGBELP Cc1noc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1[N+](=O)[O-] ZINC000595421769 459296135 /nfs/dbraw/zinc/29/61/35/459296135.db2.gz UROTZDAGOHWLAC-LLVKDONJSA-N 2 2 341.371 3.236 10 5 EGBELP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC34CC(C3)C[NH2+]4)o2)c(Cl)c1 ZINC000596110877 459526106 /nfs/dbraw/zinc/52/61/06/459526106.db2.gz VLGUMKDNBKHGKP-UHFFFAOYSA-N 2 2 347.802 3.350 10 5 EGBELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000175722696 265132516 /nfs/dbraw/zinc/13/25/16/265132516.db2.gz SMPYPVLCMPJDRU-IUODEOHRSA-N 2 2 325.840 3.410 10 5 EGBELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000175722696 265132518 /nfs/dbraw/zinc/13/25/18/265132518.db2.gz SMPYPVLCMPJDRU-IUODEOHRSA-N 2 2 325.840 3.410 10 5 EGBELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000175722696 265132519 /nfs/dbraw/zinc/13/25/19/265132519.db2.gz SMPYPVLCMPJDRU-IUODEOHRSA-N 2 2 325.840 3.410 10 5 EGBELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000175722696 265132522 /nfs/dbraw/zinc/13/25/22/265132522.db2.gz SMPYPVLCMPJDRU-IUODEOHRSA-N 2 2 325.840 3.410 10 5 EGBELP CC[NH+]1CCC(CCNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413168914 309019321 /nfs/dbraw/zinc/01/93/21/309019321.db2.gz LAGRFGNWGPFCRF-UHFFFAOYSA-N 2 2 328.416 3.099 10 5 EGBELP Cn1cc[nH+]c1CC1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000153822976 454837609 /nfs/dbraw/zinc/83/76/09/454837609.db2.gz LMGZUBMLBUAZTE-UHFFFAOYSA-N 2 2 348.834 3.436 10 5 EGBELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000182342199 455492619 /nfs/dbraw/zinc/49/26/19/455492619.db2.gz YYUKVHDOFTVJER-MLGOLLRUSA-N 2 2 325.840 3.410 10 5 EGBELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000182342199 455492622 /nfs/dbraw/zinc/49/26/22/455492622.db2.gz YYUKVHDOFTVJER-MLGOLLRUSA-N 2 2 325.840 3.410 10 5 EGBELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000182342199 455492624 /nfs/dbraw/zinc/49/26/24/455492624.db2.gz YYUKVHDOFTVJER-MLGOLLRUSA-N 2 2 325.840 3.410 10 5 EGBELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000182342199 455492627 /nfs/dbraw/zinc/49/26/27/455492627.db2.gz YYUKVHDOFTVJER-MLGOLLRUSA-N 2 2 325.840 3.410 10 5 EGBELP O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000594738765 459148002 /nfs/dbraw/zinc/14/80/02/459148002.db2.gz MWURSPSMGNQWSM-NFTRUMFPSA-N 2 2 337.423 3.343 10 5 EGBELP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000589349846 460076784 /nfs/dbraw/zinc/07/67/84/460076784.db2.gz TZFGAOIOCNCGIP-QWHCGFSZSA-N 2 2 346.456 3.336 10 5 EGBELP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000589349846 460076786 /nfs/dbraw/zinc/07/67/86/460076786.db2.gz TZFGAOIOCNCGIP-QWHCGFSZSA-N 2 2 346.456 3.336 10 5 EGBELP CC[NH+](CC)C[C@@H]1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599052512 460141188 /nfs/dbraw/zinc/14/11/88/460141188.db2.gz OFLJJWPVGVUIQJ-AWEZNQCLSA-N 2 2 328.416 3.311 10 5 EGBELP CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000872073403 1296717522 /nfs/dbraw/zinc/71/75/22/1296717522.db2.gz QLVIDENSEMBNIK-WDEREUQCSA-N 2 2 332.429 3.248 10 5 EGBELP CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000872073400 1296718379 /nfs/dbraw/zinc/71/83/79/1296718379.db2.gz QLVIDENSEMBNIK-GHMZBOCLSA-N 2 2 332.429 3.248 10 5 EGBELP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368099885 280374933 /nfs/dbraw/zinc/37/49/33/280374933.db2.gz GLLZTABQGDMERI-CWRNSKLLSA-N 2 2 340.427 3.176 10 5 EGBELP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368099885 280374935 /nfs/dbraw/zinc/37/49/35/280374935.db2.gz GLLZTABQGDMERI-CWRNSKLLSA-N 2 2 340.427 3.176 10 5 EGBELP CCOc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000423232427 309391663 /nfs/dbraw/zinc/39/16/63/309391663.db2.gz CFCMIDWHIOLMQB-BBRMVZONSA-N 2 2 329.400 3.344 10 5 EGBELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000178302178 454946336 /nfs/dbraw/zinc/94/63/36/454946336.db2.gz JPGSJZJQAFQNQW-HNNXBMFYSA-N 2 2 334.807 3.418 10 5 EGBELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000178302178 454946346 /nfs/dbraw/zinc/94/63/46/454946346.db2.gz JPGSJZJQAFQNQW-HNNXBMFYSA-N 2 2 334.807 3.418 10 5 EGBELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433166792 457766865 /nfs/dbraw/zinc/76/68/65/457766865.db2.gz GZLNXOLGULZNAD-QAPCUYQASA-N 2 2 347.459 3.018 10 5 EGBELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433166792 457766872 /nfs/dbraw/zinc/76/68/72/457766872.db2.gz GZLNXOLGULZNAD-QAPCUYQASA-N 2 2 347.459 3.018 10 5 EGBELP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595908191 459483317 /nfs/dbraw/zinc/48/33/17/459483317.db2.gz ZNANHVGQGPTPSO-WBVHZDCISA-N 2 2 335.448 3.007 10 5 EGBELP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595908191 459483320 /nfs/dbraw/zinc/48/33/20/459483320.db2.gz ZNANHVGQGPTPSO-WBVHZDCISA-N 2 2 335.448 3.007 10 5 EGBELP C[NH+]1CCC([C@@H]2CCN(c3ccc4c[nH+]ccc4c3[N+](=O)[O-])C2)CC1 ZINC000599058584 460146364 /nfs/dbraw/zinc/14/63/64/460146364.db2.gz JSEYIKUYMNHLIX-MRXNPFEDSA-N 2 2 340.427 3.311 10 5 EGBELP O=[N+]([O-])c1cc(F)c(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c(F)c1 ZINC000351855539 144317071 /nfs/dbraw/zinc/31/70/71/144317071.db2.gz QGCTYDLAKVSJBA-UHFFFAOYSA-N 2 2 339.386 3.181 10 5 EGBELP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000414779065 309100406 /nfs/dbraw/zinc/10/04/06/309100406.db2.gz ZLDVKOYQVWXIHJ-BONVTDFDSA-N 2 2 335.791 3.430 10 5 EGBELP C[C@H]1[C@@H]([NH3+])CC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000414779065 309100407 /nfs/dbraw/zinc/10/04/07/309100407.db2.gz ZLDVKOYQVWXIHJ-BONVTDFDSA-N 2 2 335.791 3.430 10 5 EGBELP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000414929099 309109847 /nfs/dbraw/zinc/10/98/47/309109847.db2.gz NOLJJKLZOYNYKW-MLGOLLRUSA-N 2 2 331.441 3.411 10 5 EGBELP CC[NH+](CC)CC1CC[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000351854266 535496891 /nfs/dbraw/zinc/49/68/91/535496891.db2.gz NUHBLRPYCPMVQH-UHFFFAOYSA-N 2 2 341.402 3.427 10 5 EGBELP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000866706113 1330143435 /nfs/dbraw/zinc/14/34/35/1330143435.db2.gz MCSCLNBSTLCIKT-INIZCTEOSA-N 2 2 325.840 3.445 10 5 EGBELP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000866706113 1330143437 /nfs/dbraw/zinc/14/34/37/1330143437.db2.gz MCSCLNBSTLCIKT-INIZCTEOSA-N 2 2 325.840 3.445 10 5 EGBELP CCOc1cc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000365205989 168035108 /nfs/dbraw/zinc/03/51/08/168035108.db2.gz WPVWGTMGHMZYST-UHFFFAOYSA-N 2 2 330.388 3.096 10 5 EGBELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000122870845 454576904 /nfs/dbraw/zinc/57/69/04/454576904.db2.gz KHXSOCWBKHYKOI-INIZCTEOSA-N 2 2 328.416 3.499 10 5 EGBELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000122870845 454576919 /nfs/dbraw/zinc/57/69/19/454576919.db2.gz KHXSOCWBKHYKOI-INIZCTEOSA-N 2 2 328.416 3.499 10 5 EGBELP Cc1c(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cccc1[N+](=O)[O-] ZINC000171641889 455082071 /nfs/dbraw/zinc/08/20/71/455082071.db2.gz GBPOHENYYJFVHS-OAHLLOKOSA-N 2 2 326.400 3.232 10 5 EGBELP Cc1c(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cccc1[N+](=O)[O-] ZINC000171641889 455082075 /nfs/dbraw/zinc/08/20/75/455082075.db2.gz GBPOHENYYJFVHS-OAHLLOKOSA-N 2 2 326.400 3.232 10 5 EGBELP CC(C)c1ccc(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000597248310 459894392 /nfs/dbraw/zinc/89/43/92/459894392.db2.gz PYICHGUFEMXGQA-KRWDZBQOSA-N 2 2 349.475 3.261 10 5 EGBELP CC(C)c1ccc(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000597248310 459894394 /nfs/dbraw/zinc/89/43/94/459894394.db2.gz PYICHGUFEMXGQA-KRWDZBQOSA-N 2 2 349.475 3.261 10 5 EGBELP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001198821538 1369121839 /nfs/dbraw/zinc/12/18/39/1369121839.db2.gz SQEFZPMJWKRLMD-LZQZEXGQSA-N 2 2 329.444 3.464 10 5 EGBELP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001198821538 1369121843 /nfs/dbraw/zinc/12/18/43/1369121843.db2.gz SQEFZPMJWKRLMD-LZQZEXGQSA-N 2 2 329.444 3.464 10 5 EGBELP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1C[C@@]23C[N@H+](C)C[C@]2(C1)CCCC3 ZINC001198821538 1369121846 /nfs/dbraw/zinc/12/18/46/1369121846.db2.gz SQEFZPMJWKRLMD-LZQZEXGQSA-N 2 2 329.444 3.464 10 5 EGBELP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1C[C@@]23C[N@@H+](C)C[C@]2(C1)CCCC3 ZINC001198821538 1369121851 /nfs/dbraw/zinc/12/18/51/1369121851.db2.gz SQEFZPMJWKRLMD-LZQZEXGQSA-N 2 2 329.444 3.464 10 5 EGBELP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000596647804 459713872 /nfs/dbraw/zinc/71/38/72/459713872.db2.gz CFWYVHVXSCYWPJ-NIKGAXFTSA-N 2 2 325.412 3.391 10 5 EGBELP CCC[N@H+](C)C[C@H]1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599054131 460142631 /nfs/dbraw/zinc/14/26/31/460142631.db2.gz WRCNRGXIODWSRR-CQSZACIVSA-N 2 2 328.416 3.311 10 5 EGBELP CCC[N@@H+](C)C[C@H]1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599054131 460142638 /nfs/dbraw/zinc/14/26/38/460142638.db2.gz WRCNRGXIODWSRR-CQSZACIVSA-N 2 2 328.416 3.311 10 5 EGBELP C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001307670344 1384010864 /nfs/dbraw/zinc/01/08/64/1384010864.db2.gz RAHOISPNNNOVNE-HIFRSBDPSA-N 2 2 335.423 3.477 10 5 EGBELP C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001307670344 1384010867 /nfs/dbraw/zinc/01/08/67/1384010867.db2.gz RAHOISPNNNOVNE-HIFRSBDPSA-N 2 2 335.423 3.477 10 5 EGBELP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423365228 309397146 /nfs/dbraw/zinc/39/71/46/309397146.db2.gz DAEVKQXCYHJCAF-ZMYBRWDISA-N 2 2 325.412 3.272 10 5 EGBELP O=[N+]([O-])c1cccc([C@H]([NH2+]CCC[NH2+]C2CC2)c2ccccc2)c1 ZINC000423545003 309405785 /nfs/dbraw/zinc/40/57/85/309405785.db2.gz DIESEALUCFUIBM-LJQANCHMSA-N 2 2 325.412 3.416 10 5 EGBELP C[C@@H](C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000425942522 309495218 /nfs/dbraw/zinc/49/52/18/309495218.db2.gz FTVATWJGNWTZJW-HNAYVOBHSA-N 2 2 327.428 3.472 10 5 EGBELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000180122549 455135083 /nfs/dbraw/zinc/13/50/83/455135083.db2.gz AIICQQSRKUISSK-BBOMDTFKSA-N 2 2 326.400 3.278 10 5 EGBELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000180122549 455135084 /nfs/dbraw/zinc/13/50/84/455135084.db2.gz AIICQQSRKUISSK-BBOMDTFKSA-N 2 2 326.400 3.278 10 5 EGBELP Cc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000594738107 459146547 /nfs/dbraw/zinc/14/65/47/459146547.db2.gz HHUFBNZWLOXBJI-QZTJIDSGSA-N 2 2 325.412 3.139 10 5 EGBELP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000595054021 459229247 /nfs/dbraw/zinc/22/92/47/459229247.db2.gz MSIGBOACUPAOJH-DLBZAZTESA-N 2 2 331.460 3.378 10 5 EGBELP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000595054021 459229250 /nfs/dbraw/zinc/22/92/50/459229250.db2.gz MSIGBOACUPAOJH-DLBZAZTESA-N 2 2 331.460 3.378 10 5 EGBELP CCC[N@H+](C)C[C@@H]1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599054129 460141764 /nfs/dbraw/zinc/14/17/64/460141764.db2.gz WRCNRGXIODWSRR-AWEZNQCLSA-N 2 2 328.416 3.311 10 5 EGBELP CCC[N@@H+](C)C[C@@H]1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599054129 460141767 /nfs/dbraw/zinc/14/17/67/460141767.db2.gz WRCNRGXIODWSRR-AWEZNQCLSA-N 2 2 328.416 3.311 10 5 EGBELP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000610476540 460160045 /nfs/dbraw/zinc/16/00/45/460160045.db2.gz GLFGHGDBNRKFDV-INIZCTEOSA-N 2 2 330.388 3.027 10 5 EGBELP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000610476540 460160048 /nfs/dbraw/zinc/16/00/48/460160048.db2.gz GLFGHGDBNRKFDV-INIZCTEOSA-N 2 2 330.388 3.027 10 5 EGBELP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000599621558 460289428 /nfs/dbraw/zinc/28/94/28/460289428.db2.gz FJRMFESWLLKSIE-MRXNPFEDSA-N 2 2 347.459 3.151 10 5 EGBELP CCC1([NH+](C)C)CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000601229190 460757746 /nfs/dbraw/zinc/75/77/46/460757746.db2.gz IERXPYSMZKASQZ-UHFFFAOYSA-N 2 2 328.416 3.454 10 5 EGBELP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872151473 1296769021 /nfs/dbraw/zinc/76/90/21/1296769021.db2.gz KYFLGDHFSJFVCO-COPLHBTASA-N 2 2 331.338 3.033 10 5 EGBELP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872151473 1296769036 /nfs/dbraw/zinc/76/90/36/1296769036.db2.gz KYFLGDHFSJFVCO-COPLHBTASA-N 2 2 331.338 3.033 10 5 EGBELP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc(N)cc[nH+]1 ZINC000925772240 1325293384 /nfs/dbraw/zinc/29/33/84/1325293384.db2.gz RBQFNHUSLXYCQR-ZDUSSCGKSA-N 2 2 332.429 3.233 10 5 EGBELP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368099886 168310504 /nfs/dbraw/zinc/31/05/04/168310504.db2.gz GLLZTABQGDMERI-IMJJTQAJSA-N 2 2 340.427 3.176 10 5 EGBELP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368099886 168310506 /nfs/dbraw/zinc/31/05/06/168310506.db2.gz GLLZTABQGDMERI-IMJJTQAJSA-N 2 2 340.427 3.176 10 5 EGBELP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccccc1[N+](=O)[O-] ZINC000341346167 155245636 /nfs/dbraw/zinc/24/56/36/155245636.db2.gz HQXITQQKZPRCIB-OAHLLOKOSA-N 2 2 340.427 3.305 10 5 EGBELP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000366265390 168100049 /nfs/dbraw/zinc/10/00/49/168100049.db2.gz GPQOPMJRVNIELP-UHFFFAOYSA-N 2 2 333.432 3.100 10 5 EGBELP Cc1c[nH+]ccc1OC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000278607607 275258728 /nfs/dbraw/zinc/25/87/28/275258728.db2.gz GIOBIYHYPZKJQT-UHFFFAOYSA-N 2 2 333.413 3.403 10 5 EGBELP O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171640372 323243803 /nfs/dbraw/zinc/24/38/03/323243803.db2.gz ICIAEJWYFWGYSO-CYBMUJFWSA-N 2 2 330.363 3.063 10 5 EGBELP O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171640372 323243808 /nfs/dbraw/zinc/24/38/08/323243808.db2.gz ICIAEJWYFWGYSO-CYBMUJFWSA-N 2 2 330.363 3.063 10 5 EGBELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000105897580 454667567 /nfs/dbraw/zinc/66/75/67/454667567.db2.gz MZHNLBYSWZTTFP-OAHLLOKOSA-N 2 2 344.415 3.199 10 5 EGBELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000105897580 454667570 /nfs/dbraw/zinc/66/75/70/454667570.db2.gz MZHNLBYSWZTTFP-OAHLLOKOSA-N 2 2 344.415 3.199 10 5 EGBELP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000595054022 459229106 /nfs/dbraw/zinc/22/91/06/459229106.db2.gz MSIGBOACUPAOJH-IAGOWNOFSA-N 2 2 331.460 3.378 10 5 EGBELP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000595054022 459229113 /nfs/dbraw/zinc/22/91/13/459229113.db2.gz MSIGBOACUPAOJH-IAGOWNOFSA-N 2 2 331.460 3.378 10 5 EGBELP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595908189 459482129 /nfs/dbraw/zinc/48/21/29/459482129.db2.gz ZNANHVGQGPTPSO-NVXWUHKLSA-N 2 2 335.448 3.007 10 5 EGBELP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595908189 459482132 /nfs/dbraw/zinc/48/21/32/459482132.db2.gz ZNANHVGQGPTPSO-NVXWUHKLSA-N 2 2 335.448 3.007 10 5 EGBELP CC(C)c1ccc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000592525670 459625946 /nfs/dbraw/zinc/62/59/46/459625946.db2.gz DDZGYVDHQCNXOQ-UHFFFAOYSA-N 2 2 347.459 3.015 10 5 EGBELP CC(C)c1ccc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000592525670 459625949 /nfs/dbraw/zinc/62/59/49/459625949.db2.gz DDZGYVDHQCNXOQ-UHFFFAOYSA-N 2 2 347.459 3.015 10 5 EGBELP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000415018355 309114575 /nfs/dbraw/zinc/11/45/75/309114575.db2.gz QUXSRMQINNQIRX-VXGBXAGGSA-N 2 2 333.363 3.352 10 5 EGBELP O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@H]3CCc4[nH+]c[nH]c4C3)o2)c1 ZINC000377791016 458528654 /nfs/dbraw/zinc/52/86/54/458528654.db2.gz YFQJMJZMKVKRSM-ZDUSSCGKSA-N 2 2 338.367 3.225 10 5 EGBELP O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@H]3CCc4[nH]c[nH+]c4C3)o2)c1 ZINC000377791016 458528657 /nfs/dbraw/zinc/52/86/57/458528657.db2.gz YFQJMJZMKVKRSM-ZDUSSCGKSA-N 2 2 338.367 3.225 10 5 EGBELP C[C@H]1CCCC[N@@H+]1CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000480628672 459210172 /nfs/dbraw/zinc/21/01/72/459210172.db2.gz YTCFZGQGBMUVNA-MAUKXSAKSA-N 2 2 331.460 3.380 10 5 EGBELP C[C@H]1CCCC[N@H+]1CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000480628672 459210176 /nfs/dbraw/zinc/21/01/76/459210176.db2.gz YTCFZGQGBMUVNA-MAUKXSAKSA-N 2 2 331.460 3.380 10 5 EGBELP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171644511 534094866 /nfs/dbraw/zinc/09/48/66/534094866.db2.gz NKFCCPNZEXKUDU-LSDHHAIUSA-N 2 2 326.400 3.485 10 5 EGBELP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171644511 534094875 /nfs/dbraw/zinc/09/48/75/534094875.db2.gz NKFCCPNZEXKUDU-LSDHHAIUSA-N 2 2 326.400 3.485 10 5 EGBELP Cc1ccc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000092812573 218169569 /nfs/dbraw/zinc/16/95/69/218169569.db2.gz AVQHJAXVDVBLRY-INIZCTEOSA-N 2 2 326.400 3.232 10 5 EGBELP Cc1ccc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000092812573 218169571 /nfs/dbraw/zinc/16/95/71/218169571.db2.gz AVQHJAXVDVBLRY-INIZCTEOSA-N 2 2 326.400 3.232 10 5 EGBELP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000423385185 309398260 /nfs/dbraw/zinc/39/82/60/309398260.db2.gz QNTOQNLGGINZDW-DKSSEZFCSA-N 2 2 325.412 3.414 10 5 EGBELP CC1(C)C[C@@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c2cc([N+](=O)[O-])ccc21 ZINC000353617214 456806344 /nfs/dbraw/zinc/80/63/44/456806344.db2.gz CNLWPPQZFFVMEB-APPDUMDISA-N 2 2 326.400 3.187 10 5 EGBELP CC1(C)C[C@@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c2cc([N+](=O)[O-])ccc21 ZINC000353617214 456806352 /nfs/dbraw/zinc/80/63/52/456806352.db2.gz CNLWPPQZFFVMEB-APPDUMDISA-N 2 2 326.400 3.187 10 5 EGBELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000122870638 222175468 /nfs/dbraw/zinc/17/54/68/222175468.db2.gz KHXSOCWBKHYKOI-MRXNPFEDSA-N 2 2 328.416 3.499 10 5 EGBELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000122870638 222175469 /nfs/dbraw/zinc/17/54/69/222175469.db2.gz KHXSOCWBKHYKOI-MRXNPFEDSA-N 2 2 328.416 3.499 10 5 EGBELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000106212465 454686847 /nfs/dbraw/zinc/68/68/47/454686847.db2.gz GKVXOCYQXVNHRQ-INIZCTEOSA-N 2 2 344.415 3.070 10 5 EGBELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000106212465 454686850 /nfs/dbraw/zinc/68/68/50/454686850.db2.gz GKVXOCYQXVNHRQ-INIZCTEOSA-N 2 2 344.415 3.070 10 5 EGBELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000180122526 455135509 /nfs/dbraw/zinc/13/55/09/455135509.db2.gz AIICQQSRKUISSK-PFWMLDTASA-N 2 2 326.400 3.278 10 5 EGBELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000180122526 455135512 /nfs/dbraw/zinc/13/55/12/455135512.db2.gz AIICQQSRKUISSK-PFWMLDTASA-N 2 2 326.400 3.278 10 5 EGBELP O=[N+]([O-])c1ccc(CC[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC001175668947 1385368712 /nfs/dbraw/zinc/36/87/12/1385368712.db2.gz IZAGILJDPWLRSK-LJQANCHMSA-N 2 2 336.395 3.365 10 5 EGBELP Cc1ccc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000092812572 218170962 /nfs/dbraw/zinc/17/09/62/218170962.db2.gz AVQHJAXVDVBLRY-MRXNPFEDSA-N 2 2 326.400 3.232 10 5 EGBELP Cc1ccc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000092812572 218170964 /nfs/dbraw/zinc/17/09/64/218170964.db2.gz AVQHJAXVDVBLRY-MRXNPFEDSA-N 2 2 326.400 3.232 10 5 EGBELP C[C@@H]1C[C@@H]([NH+](C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@@H+]1C ZINC000093645065 218239187 /nfs/dbraw/zinc/23/91/87/218239187.db2.gz KIJXKTNRIOVRMC-YPMHNXCESA-N 2 2 343.374 3.111 10 5 EGBELP C[C@@H]1C[C@@H]([NH+](C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@H+]1C ZINC000093645065 218239188 /nfs/dbraw/zinc/23/91/88/218239188.db2.gz KIJXKTNRIOVRMC-YPMHNXCESA-N 2 2 343.374 3.111 10 5 EGBELP C[C@@H]1C[C@@H]([N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[NH+]1C ZINC000093645065 218239192 /nfs/dbraw/zinc/23/91/92/218239192.db2.gz KIJXKTNRIOVRMC-YPMHNXCESA-N 2 2 343.374 3.111 10 5 EGBELP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[NH+]1C ZINC000093645065 218239194 /nfs/dbraw/zinc/23/91/94/218239194.db2.gz KIJXKTNRIOVRMC-YPMHNXCESA-N 2 2 343.374 3.111 10 5 EGBELP C[NH+]1CCC(CNc2sccc2[N+](=O)[O-])([NH+]2CCCCC2)CC1 ZINC000302043212 456274800 /nfs/dbraw/zinc/27/48/00/456274800.db2.gz XAFFWASQGAONOE-UHFFFAOYSA-N 2 2 338.477 3.019 10 5 EGBELP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000594739242 459147762 /nfs/dbraw/zinc/14/77/62/459147762.db2.gz PYQJXZGOLOZTSG-RTBURBONSA-N 2 2 343.402 3.278 10 5 EGBELP CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000267017278 538554558 /nfs/dbraw/zinc/55/45/58/538554558.db2.gz PHCGBVWJUFTABN-UHFFFAOYSA-N 2 2 330.388 3.096 10 5 EGBELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000178335402 232139301 /nfs/dbraw/zinc/13/93/01/232139301.db2.gz WDRDASZXTWWBQG-QGZVFWFLSA-N 2 2 344.415 3.033 10 5 EGBELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000178335402 232139303 /nfs/dbraw/zinc/13/93/03/232139303.db2.gz WDRDASZXTWWBQG-QGZVFWFLSA-N 2 2 344.415 3.033 10 5 EGBELP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000182684289 281019615 /nfs/dbraw/zinc/01/96/15/281019615.db2.gz ITZRNNQMBVHQPB-HZPDHXFCSA-N 2 2 347.459 3.149 10 5 EGBELP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000182684289 281019616 /nfs/dbraw/zinc/01/96/16/281019616.db2.gz ITZRNNQMBVHQPB-HZPDHXFCSA-N 2 2 347.459 3.149 10 5 EGBELP CCc1ccc([C@H]([NH2+][C@@H]2CC[NH2+]C[C@H]2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423389710 309398134 /nfs/dbraw/zinc/39/81/34/309398134.db2.gz JNSWHOVDVYKCDU-OMWUSAIZSA-N 2 2 343.427 3.427 10 5 EGBELP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CC[NH2+]C34CCC4)o2)cc1 ZINC000600678301 460566725 /nfs/dbraw/zinc/56/67/25/460566725.db2.gz IEONJNQXESICJP-KRWDZBQOSA-N 2 2 327.384 3.229 10 5 EGBELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000105897583 454667234 /nfs/dbraw/zinc/66/72/34/454667234.db2.gz MZHNLBYSWZTTFP-HNNXBMFYSA-N 2 2 344.415 3.199 10 5 EGBELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000105897583 454667238 /nfs/dbraw/zinc/66/72/38/454667238.db2.gz MZHNLBYSWZTTFP-HNNXBMFYSA-N 2 2 344.415 3.199 10 5 EGBELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000106213200 454685538 /nfs/dbraw/zinc/68/55/38/454685538.db2.gz MDMWXDRIKNKVLH-INIZCTEOSA-N 2 2 328.416 3.499 10 5 EGBELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000106213200 454685540 /nfs/dbraw/zinc/68/55/40/454685540.db2.gz MDMWXDRIKNKVLH-INIZCTEOSA-N 2 2 328.416 3.499 10 5 EGBELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000178336228 454950141 /nfs/dbraw/zinc/95/01/41/454950141.db2.gz VPCPXZGRTRADEY-HNNXBMFYSA-N 2 2 334.807 3.418 10 5 EGBELP Cc1ccc(NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000301832521 456226845 /nfs/dbraw/zinc/22/68/45/456226845.db2.gz UGTWLWYMCKKZPQ-UHFFFAOYSA-N 2 2 346.475 3.265 10 5 EGBELP Cc1cc(NC[C@@H](C2CC2)[NH+](C)C)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301221461 456824778 /nfs/dbraw/zinc/82/47/78/456824778.db2.gz CADYUKLWVYKPQE-INIZCTEOSA-N 2 2 341.415 3.112 10 5 EGBELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000178335391 534781253 /nfs/dbraw/zinc/78/12/53/534781253.db2.gz WDRDASZXTWWBQG-KRWDZBQOSA-N 2 2 344.415 3.033 10 5 EGBELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000178335391 534781259 /nfs/dbraw/zinc/78/12/59/534781259.db2.gz WDRDASZXTWWBQG-KRWDZBQOSA-N 2 2 344.415 3.033 10 5 EGBELP CCC[C@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000925791537 1325302723 /nfs/dbraw/zinc/30/27/23/1325302723.db2.gz ATYXVNTYXIQGBL-AEFFLSMTSA-N 2 2 347.459 3.184 10 5 EGBELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000106213336 454686158 /nfs/dbraw/zinc/68/61/58/454686158.db2.gz GGAWDELKUXZGQI-MRXNPFEDSA-N 2 2 344.415 3.070 10 5 EGBELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000106213336 454686165 /nfs/dbraw/zinc/68/61/65/454686165.db2.gz GGAWDELKUXZGQI-MRXNPFEDSA-N 2 2 344.415 3.070 10 5 EGBELP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000283867339 455605439 /nfs/dbraw/zinc/60/54/39/455605439.db2.gz DKYGDAXOZSBOQY-OALUTQOASA-N 2 2 325.412 3.172 10 5 EGBELP C[N@H+]1CC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000283867339 455605446 /nfs/dbraw/zinc/60/54/46/455605446.db2.gz DKYGDAXOZSBOQY-OALUTQOASA-N 2 2 325.412 3.172 10 5 EGBELP C[C@@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1n1cc[nH+]c1 ZINC000129387758 534030698 /nfs/dbraw/zinc/03/06/98/534030698.db2.gz CIUHOVIOGRUQBH-QAPCUYQASA-N 2 2 344.415 3.143 10 5 EGBELP C[C@@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1n1cc[nH+]c1 ZINC000129387758 534030704 /nfs/dbraw/zinc/03/07/04/534030704.db2.gz CIUHOVIOGRUQBH-QAPCUYQASA-N 2 2 344.415 3.143 10 5 EGBELP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000866707788 1330143645 /nfs/dbraw/zinc/14/36/45/1330143645.db2.gz WLIHBPAKGKEXJA-MRXNPFEDSA-N 2 2 325.840 3.445 10 5 EGBELP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000866707788 1330143646 /nfs/dbraw/zinc/14/36/46/1330143646.db2.gz WLIHBPAKGKEXJA-MRXNPFEDSA-N 2 2 325.840 3.445 10 5 EGBELP Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000348176342 141245509 /nfs/dbraw/zinc/24/55/09/141245509.db2.gz UPBMHIDMKNTIPY-UHFFFAOYSA-N 2 2 336.395 3.438 10 5 EGBELP Cc1c(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cccc1[N+](=O)[O-] ZINC000359802065 167236264 /nfs/dbraw/zinc/23/62/64/167236264.db2.gz OMSOCQJUYHGJJD-UHFFFAOYSA-N 2 2 328.397 3.440 10 5 EGBELP CCOc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000423232631 309391730 /nfs/dbraw/zinc/39/17/30/309391730.db2.gz CFCMIDWHIOLMQB-XJKSGUPXSA-N 2 2 329.400 3.344 10 5 EGBELP O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@H]3CC[NH2+]C34CCC4)o2)c1 ZINC000600679475 460566436 /nfs/dbraw/zinc/56/64/36/460566436.db2.gz XGWRPEDOZYLAKK-KRWDZBQOSA-N 2 2 327.384 3.229 10 5 EGBELP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](Cc1ccc(-c3cccc([N+](=O)[O-])c3)o1)C2 ZINC000600771451 460596924 /nfs/dbraw/zinc/59/69/24/460596924.db2.gz GARRCOCXQAPGJX-KDURUIRLSA-N 2 2 341.411 3.286 10 5 EGBELP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](Cc1ccc(-c3cccc([N+](=O)[O-])c3)o1)C2 ZINC000600771451 460596930 /nfs/dbraw/zinc/59/69/30/460596930.db2.gz GARRCOCXQAPGJX-KDURUIRLSA-N 2 2 341.411 3.286 10 5 EGBELP CCOc1ccc([C@@H](C)[NH2+][C@H]2CCc3[nH+]c(C)cn3C2)cc1[N+](=O)[O-] ZINC000097032482 454390748 /nfs/dbraw/zinc/39/07/48/454390748.db2.gz QEECMYGGKZDQKJ-HIFRSBDPSA-N 2 2 344.415 3.164 10 5 EGBELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000106213199 454686452 /nfs/dbraw/zinc/68/64/52/454686452.db2.gz MDMWXDRIKNKVLH-MRXNPFEDSA-N 2 2 328.416 3.499 10 5 EGBELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000106213199 454686457 /nfs/dbraw/zinc/68/64/57/454686457.db2.gz MDMWXDRIKNKVLH-MRXNPFEDSA-N 2 2 328.416 3.499 10 5 EGBELP CC[C@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000151515017 454995861 /nfs/dbraw/zinc/99/58/61/454995861.db2.gz HJNCQWUULDEZDB-KRWDZBQOSA-N 2 2 337.383 3.416 10 5 EGBELP O=[N+]([O-])c1cccc([C@@H]([NH2+]CCC[NH2+]C2CC2)c2ccccc2)c1 ZINC000423545002 458455773 /nfs/dbraw/zinc/45/57/73/458455773.db2.gz DIESEALUCFUIBM-IBGZPJMESA-N 2 2 325.412 3.416 10 5 EGBELP O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000594738764 459147576 /nfs/dbraw/zinc/14/75/76/459147576.db2.gz MWURSPSMGNQWSM-CTDFLUCESA-N 2 2 337.423 3.343 10 5 EGBELP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000595054023 459229464 /nfs/dbraw/zinc/22/94/64/459229464.db2.gz MSIGBOACUPAOJH-IRXDYDNUSA-N 2 2 331.460 3.378 10 5 EGBELP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000595054023 459229471 /nfs/dbraw/zinc/22/94/71/459229471.db2.gz MSIGBOACUPAOJH-IRXDYDNUSA-N 2 2 331.460 3.378 10 5 EGBELP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000610272688 460101575 /nfs/dbraw/zinc/10/15/75/460101575.db2.gz DEIFWCJNOPXRGR-GOSISDBHSA-N 2 2 336.395 3.402 10 5 EGBELP CCC1([NH+]2CCOCC2)CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000599082412 460154811 /nfs/dbraw/zinc/15/48/11/460154811.db2.gz BQDZDPLEMMXTMQ-INIZCTEOSA-N 2 2 347.459 3.233 10 5 EGBELP O=[N+]([O-])c1ccc(CC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000344109327 164105422 /nfs/dbraw/zinc/10/54/22/164105422.db2.gz KGABXWGBWVXVOE-UHFFFAOYSA-N 2 2 328.397 3.174 10 5 EGBELP [NH3+][C@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccccc1 ZINC000423247150 309392194 /nfs/dbraw/zinc/39/21/94/309392194.db2.gz QCZROXMZKULOBP-MSOLQXFVSA-N 2 2 325.412 3.206 10 5 EGBELP O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@@H]3CC[NH2+]C34CCC4)o2)c1 ZINC000600679476 460566568 /nfs/dbraw/zinc/56/65/68/460566568.db2.gz XGWRPEDOZYLAKK-QGZVFWFLSA-N 2 2 327.384 3.229 10 5 EGBELP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000600728615 460582004 /nfs/dbraw/zinc/58/20/04/460582004.db2.gz VTRUURCDWFDXDN-MPKXVKKWSA-N 2 2 331.338 3.115 10 5 EGBELP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000600728615 460582007 /nfs/dbraw/zinc/58/20/07/460582007.db2.gz VTRUURCDWFDXDN-MPKXVKKWSA-N 2 2 331.338 3.115 10 5 EGBELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000106216560 454686276 /nfs/dbraw/zinc/68/62/76/454686276.db2.gz LXUKRIVQKNBRHV-INIZCTEOSA-N 2 2 344.415 3.199 10 5 EGBELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000106216560 454686281 /nfs/dbraw/zinc/68/62/81/454686281.db2.gz LXUKRIVQKNBRHV-INIZCTEOSA-N 2 2 344.415 3.199 10 5 EGBELP CCN(CCC[NH+](C)C)c1cc(C)[nH+]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000170604973 454940291 /nfs/dbraw/zinc/94/02/91/454940291.db2.gz VUGJPRYZJAVWKH-UHFFFAOYSA-N 2 2 343.431 3.138 10 5 EGBELP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592479427 459609649 /nfs/dbraw/zinc/60/96/49/459609649.db2.gz YAKHRJFKSFKHED-YJBOKZPZSA-N 2 2 347.459 3.346 10 5 EGBELP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592479427 459609652 /nfs/dbraw/zinc/60/96/52/459609652.db2.gz YAKHRJFKSFKHED-YJBOKZPZSA-N 2 2 347.459 3.346 10 5 EGBELP CC[NH+](CC)C[C@H]1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599052513 460140954 /nfs/dbraw/zinc/14/09/54/460140954.db2.gz OFLJJWPVGVUIQJ-CQSZACIVSA-N 2 2 328.416 3.311 10 5 EGBELP COc1cc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000351930830 536757184 /nfs/dbraw/zinc/75/71/84/536757184.db2.gz JZNJAEBVFXBTMI-INIZCTEOSA-N 2 2 333.432 3.054 10 5 EGBELP COc1cc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000351930830 536757188 /nfs/dbraw/zinc/75/71/88/536757188.db2.gz JZNJAEBVFXBTMI-INIZCTEOSA-N 2 2 333.432 3.054 10 5 EGBELP [NH3+][C@H]1CC[C@H](N(Cc2ccc([N+](=O)[O-])cc2F)c2cccc[nH+]2)CC1 ZINC000895110191 1309194901 /nfs/dbraw/zinc/19/49/01/1309194901.db2.gz CMXQVBMJBHMDHX-SHTZXODSSA-N 2 2 344.390 3.405 10 5 EGBELP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC001328355165 1388729164 /nfs/dbraw/zinc/72/91/64/1388729164.db2.gz AVZGFRNQRSHCLM-UHFFFAOYSA-N 2 2 337.339 3.045 10 5 EGBELP Cc1ccc([C@@H](C)[NH2+]Cc2cccnc2-n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000151501856 454994335 /nfs/dbraw/zinc/99/43/35/454994335.db2.gz WOFJGELSOTXXCD-CQSZACIVSA-N 2 2 337.383 3.335 10 5 EGBELP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171644515 227194494 /nfs/dbraw/zinc/19/44/94/227194494.db2.gz NKFCCPNZEXKUDU-HUUCEWRRSA-N 2 2 326.400 3.485 10 5 EGBELP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171644515 227194499 /nfs/dbraw/zinc/19/44/99/227194499.db2.gz NKFCCPNZEXKUDU-HUUCEWRRSA-N 2 2 326.400 3.485 10 5 EGBELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000248453188 308003733 /nfs/dbraw/zinc/00/37/33/308003733.db2.gz YYUKVHDOFTVJER-LRDDRELGSA-N 2 2 325.840 3.410 10 5 EGBELP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000248453188 308003734 /nfs/dbraw/zinc/00/37/34/308003734.db2.gz YYUKVHDOFTVJER-LRDDRELGSA-N 2 2 325.840 3.410 10 5 EGBELP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000248453188 308003735 /nfs/dbraw/zinc/00/37/35/308003735.db2.gz YYUKVHDOFTVJER-LRDDRELGSA-N 2 2 325.840 3.410 10 5 EGBELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000248453188 308003736 /nfs/dbraw/zinc/00/37/36/308003736.db2.gz YYUKVHDOFTVJER-LRDDRELGSA-N 2 2 325.840 3.410 10 5 EGBELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417313848 309201314 /nfs/dbraw/zinc/20/13/14/309201314.db2.gz QEMYZNWYHRNLOS-MJGOQNOKSA-N 2 2 347.459 3.063 10 5 EGBELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417313848 309201315 /nfs/dbraw/zinc/20/13/15/309201315.db2.gz QEMYZNWYHRNLOS-MJGOQNOKSA-N 2 2 347.459 3.063 10 5 EGBELP C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1c[nH+]ccc1N ZINC000423085061 309385269 /nfs/dbraw/zinc/38/52/69/309385269.db2.gz JEJYDYHSZLLATE-SECBINFHSA-N 2 2 340.305 3.272 10 5 EGBELP Cc1ccc2[nH+]cc(C[NH2+]CCc3c[nH]c4ccc([N+](=O)[O-])cc34)n2c1 ZINC000568436927 316774856 /nfs/dbraw/zinc/77/48/56/316774856.db2.gz JCRMFSUOBVNWDS-UHFFFAOYSA-N 2 2 349.394 3.365 10 5 EGBELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182216291 455463271 /nfs/dbraw/zinc/46/32/71/455463271.db2.gz IQMWLFAYFKNJBL-OAHLLOKOSA-N 2 2 334.807 3.418 10 5 EGBELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182216291 455463277 /nfs/dbraw/zinc/46/32/77/455463277.db2.gz IQMWLFAYFKNJBL-OAHLLOKOSA-N 2 2 334.807 3.418 10 5 EGBELP O=[N+]([O-])c1c(NC2CC[NH+](CC3CC3)CC2)ccc2c[nH+]ccc21 ZINC000599025171 460131108 /nfs/dbraw/zinc/13/11/08/460131108.db2.gz ZZCIOSHQRVJXES-UHFFFAOYSA-N 2 2 326.400 3.429 10 5 EGBELP C[C@@H]1C[N@@H+](CCCNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@H](C)O1 ZINC000599023035 460129154 /nfs/dbraw/zinc/12/91/54/460129154.db2.gz QHLHPPJYJMSBMS-OKILXGFUSA-N 2 2 344.415 3.054 10 5 EGBELP C[C@@H]1C[N@H+](CCCNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@H](C)O1 ZINC000599023035 460129160 /nfs/dbraw/zinc/12/91/60/460129160.db2.gz QHLHPPJYJMSBMS-OKILXGFUSA-N 2 2 344.415 3.054 10 5 EGBELP C[C@H]1C[C@H]([NH+](C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@@H+]1C ZINC000093645064 218238673 /nfs/dbraw/zinc/23/86/73/218238673.db2.gz KIJXKTNRIOVRMC-WCQYABFASA-N 2 2 343.374 3.111 10 5 EGBELP C[C@H]1C[C@H]([NH+](C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@H+]1C ZINC000093645064 218238674 /nfs/dbraw/zinc/23/86/74/218238674.db2.gz KIJXKTNRIOVRMC-WCQYABFASA-N 2 2 343.374 3.111 10 5 EGBELP C[C@H]1C[C@H]([N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[NH+]1C ZINC000093645064 218238675 /nfs/dbraw/zinc/23/86/75/218238675.db2.gz KIJXKTNRIOVRMC-WCQYABFASA-N 2 2 343.374 3.111 10 5 EGBELP C[C@H]1C[C@H]([N@@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[NH+]1C ZINC000093645064 218238676 /nfs/dbraw/zinc/23/86/76/218238676.db2.gz KIJXKTNRIOVRMC-WCQYABFASA-N 2 2 343.374 3.111 10 5 EGBELP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1cn(C)c[nH+]1 ZINC000414120114 309062234 /nfs/dbraw/zinc/06/22/34/309062234.db2.gz APUDPSCVNUBXPV-ZDUSSCGKSA-N 2 2 334.445 3.031 10 5 EGBELP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420401663 309286495 /nfs/dbraw/zinc/28/64/95/309286495.db2.gz POKXFTBLLUMLOI-CRAIPNDOSA-N 2 2 347.459 3.346 10 5 EGBELP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420401663 309286496 /nfs/dbraw/zinc/28/64/96/309286496.db2.gz POKXFTBLLUMLOI-CRAIPNDOSA-N 2 2 347.459 3.346 10 5 EGBELP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423365226 309397091 /nfs/dbraw/zinc/39/70/91/309397091.db2.gz DAEVKQXCYHJCAF-NIKGAXFTSA-N 2 2 325.412 3.272 10 5 EGBELP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423365224 309397201 /nfs/dbraw/zinc/39/72/01/309397201.db2.gz DAEVKQXCYHJCAF-MDASCCDHSA-N 2 2 325.412 3.272 10 5 EGBELP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)[nH+]1 ZINC000171648376 323244622 /nfs/dbraw/zinc/24/46/22/323244622.db2.gz OAGPQGHXNCNHBB-AWEZNQCLSA-N 2 2 344.390 3.371 10 5 EGBELP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)[nH+]1 ZINC000171648376 323244627 /nfs/dbraw/zinc/24/46/27/323244627.db2.gz OAGPQGHXNCNHBB-AWEZNQCLSA-N 2 2 344.390 3.371 10 5 EGBELP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000600728616 460581682 /nfs/dbraw/zinc/58/16/82/460581682.db2.gz VTRUURCDWFDXDN-OSMZGAPFSA-N 2 2 331.338 3.115 10 5 EGBELP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000600728616 460581685 /nfs/dbraw/zinc/58/16/85/460581685.db2.gz VTRUURCDWFDXDN-OSMZGAPFSA-N 2 2 331.338 3.115 10 5 EGBELP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000480628673 459210092 /nfs/dbraw/zinc/21/00/92/459210092.db2.gz YTCFZGQGBMUVNA-QAPCUYQASA-N 2 2 331.460 3.380 10 5 EGBELP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000480628673 459210095 /nfs/dbraw/zinc/21/00/95/459210095.db2.gz YTCFZGQGBMUVNA-QAPCUYQASA-N 2 2 331.460 3.380 10 5 EGBELP COc1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000351930831 536753520 /nfs/dbraw/zinc/75/35/20/536753520.db2.gz JZNJAEBVFXBTMI-MRXNPFEDSA-N 2 2 333.432 3.054 10 5 EGBELP COc1cc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000351930831 536753529 /nfs/dbraw/zinc/75/35/29/536753529.db2.gz JZNJAEBVFXBTMI-MRXNPFEDSA-N 2 2 333.432 3.054 10 5 EGBELP Cn1c[nH+]cc1C1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001176978348 1385762416 /nfs/dbraw/zinc/76/24/16/1385762416.db2.gz RJOWPVHVYRBRIB-UHFFFAOYSA-N 2 2 334.807 3.361 10 5 EGBELP C[C@@H]1C[C@H]([NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000423385191 309398265 /nfs/dbraw/zinc/39/82/65/309398265.db2.gz QNTOQNLGGINZDW-LSBZLQRGSA-N 2 2 325.412 3.414 10 5 EGBELP Cc1cccn2c(C[NH2+]CCc3c[nH]c4ccc([N+](=O)[O-])cc34)c[nH+]c12 ZINC000579033567 325053056 /nfs/dbraw/zinc/05/30/56/325053056.db2.gz JBYPUJGPJBWGRD-UHFFFAOYSA-N 2 2 349.394 3.365 10 5 EGBELP Cn1cc[nH+]c1CC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000182144567 455445605 /nfs/dbraw/zinc/44/56/05/455445605.db2.gz INIXBVZIWOWLOC-UHFFFAOYSA-N 2 2 348.834 3.436 10 5 EGBELP CC(C)Cn1cc[nH+]c1CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601119699 460717266 /nfs/dbraw/zinc/71/72/66/460717266.db2.gz VQZDDRIETNOHPA-UHFFFAOYSA-N 2 2 325.372 3.030 10 5 EGBELP Cc1cc(N[C@H](C)CC[NH+](C)C)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301230410 456828164 /nfs/dbraw/zinc/82/81/64/456828164.db2.gz JALAFUBJGYQHAZ-GFCCVEGCSA-N 2 2 329.404 3.112 10 5 EGBELP COCCC[NH+]1CCC(Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599039300 460134819 /nfs/dbraw/zinc/13/48/19/460134819.db2.gz WVNQFSCSNFNMQH-UHFFFAOYSA-N 2 2 344.415 3.056 10 5 EGBELP C[N@H+](CC1CC1)C[C@@H]1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599054750 460142811 /nfs/dbraw/zinc/14/28/11/460142811.db2.gz NGADJBBNBLMYIE-HNNXBMFYSA-N 2 2 340.427 3.311 10 5 EGBELP C[N@@H+](CC1CC1)C[C@@H]1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599054750 460142816 /nfs/dbraw/zinc/14/28/16/460142816.db2.gz NGADJBBNBLMYIE-HNNXBMFYSA-N 2 2 340.427 3.311 10 5 EGBELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000154146233 534780219 /nfs/dbraw/zinc/78/02/19/534780219.db2.gz MLPFABLNNNFXQA-AWEZNQCLSA-N 2 2 334.807 3.418 10 5 EGBELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000154146233 534780232 /nfs/dbraw/zinc/78/02/32/534780232.db2.gz MLPFABLNNNFXQA-AWEZNQCLSA-N 2 2 334.807 3.418 10 5 EGBELP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000183317799 235005654 /nfs/dbraw/zinc/00/56/54/235005654.db2.gz XDUMRYCWOJMTMT-OAHLLOKOSA-N 2 2 326.400 3.232 10 5 EGBELP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000183317799 235005658 /nfs/dbraw/zinc/00/56/58/235005658.db2.gz XDUMRYCWOJMTMT-OAHLLOKOSA-N 2 2 326.400 3.232 10 5 EGBELP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000124039567 222368785 /nfs/dbraw/zinc/36/87/85/222368785.db2.gz WWWZFZROVNPJKI-GDBMZVCRSA-N 2 2 335.448 3.297 10 5 EGBELP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000124039567 222368788 /nfs/dbraw/zinc/36/87/88/222368788.db2.gz WWWZFZROVNPJKI-GDBMZVCRSA-N 2 2 335.448 3.297 10 5 EGBELP CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000124039567 222368790 /nfs/dbraw/zinc/36/87/90/222368790.db2.gz WWWZFZROVNPJKI-GDBMZVCRSA-N 2 2 335.448 3.297 10 5 EGBELP CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000124039567 222368792 /nfs/dbraw/zinc/36/87/92/222368792.db2.gz WWWZFZROVNPJKI-GDBMZVCRSA-N 2 2 335.448 3.297 10 5 EGBELP CNc1ccc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000071792559 454218254 /nfs/dbraw/zinc/21/82/54/454218254.db2.gz SCAAHIBMVLFKLG-UHFFFAOYSA-N 2 2 337.383 3.112 10 5 EGBELP [NH3+]CC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCc1ccccc1 ZINC000262090517 455995593 /nfs/dbraw/zinc/99/55/93/455995593.db2.gz USUXMMXZOPKJLF-UXBLZVDNSA-N 2 2 325.412 3.111 10 5 EGBELP [NH3+]CC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCc1ccccc1 ZINC000262090517 455995597 /nfs/dbraw/zinc/99/55/97/455995597.db2.gz USUXMMXZOPKJLF-UXBLZVDNSA-N 2 2 325.412 3.111 10 5 EGBELP C[N@@H+]1C[C@@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000592376345 459584202 /nfs/dbraw/zinc/58/42/02/459584202.db2.gz AJWPFBIYBBXDSG-CVEARBPZSA-N 2 2 331.441 3.091 10 5 EGBELP C[N@H+]1C[C@@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000592376345 459584204 /nfs/dbraw/zinc/58/42/04/459584204.db2.gz AJWPFBIYBBXDSG-CVEARBPZSA-N 2 2 331.441 3.091 10 5 EGBELP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000925763205 1325291030 /nfs/dbraw/zinc/29/10/30/1325291030.db2.gz QYZSLBBNQJNGRR-CHWSQXEVSA-N 2 2 342.237 3.107 10 5 EGBELP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3[nH+]c[nH]c3C1)CCCC2 ZINC000417353844 309202656 /nfs/dbraw/zinc/20/26/56/309202656.db2.gz YFUXBIDDUWMXHH-XJKSGUPXSA-N 2 2 326.400 3.233 10 5 EGBELP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3[nH]c[nH+]c3C1)CCCC2 ZINC000417353844 309202657 /nfs/dbraw/zinc/20/26/57/309202657.db2.gz YFUXBIDDUWMXHH-XJKSGUPXSA-N 2 2 326.400 3.233 10 5 EGBELP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3[nH+]c[nH]c3C1)CCCC2 ZINC000417353841 309202707 /nfs/dbraw/zinc/20/27/07/309202707.db2.gz YFUXBIDDUWMXHH-BBRMVZONSA-N 2 2 326.400 3.233 10 5 EGBELP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3[nH]c[nH+]c3C1)CCCC2 ZINC000417353841 309202708 /nfs/dbraw/zinc/20/27/08/309202708.db2.gz YFUXBIDDUWMXHH-BBRMVZONSA-N 2 2 326.400 3.233 10 5 EGBELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000106216557 454685585 /nfs/dbraw/zinc/68/55/85/454685585.db2.gz LXUKRIVQKNBRHV-MRXNPFEDSA-N 2 2 344.415 3.199 10 5 EGBELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000106216557 454685588 /nfs/dbraw/zinc/68/55/88/454685588.db2.gz LXUKRIVQKNBRHV-MRXNPFEDSA-N 2 2 344.415 3.199 10 5 EGBELP CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374198080 457519823 /nfs/dbraw/zinc/51/98/23/457519823.db2.gz GVPRSRGWJCZJMX-UHFFFAOYSA-N 2 2 344.415 3.485 10 5 EGBELP C[C@H](C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000425942514 457657099 /nfs/dbraw/zinc/65/70/99/457657099.db2.gz FTVATWJGNWTZJW-BEFAXECRSA-N 2 2 327.428 3.472 10 5 EGBELP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000595054024 459229393 /nfs/dbraw/zinc/22/93/93/459229393.db2.gz MSIGBOACUPAOJH-SJORKVTESA-N 2 2 331.460 3.378 10 5 EGBELP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000595054024 459229397 /nfs/dbraw/zinc/22/93/97/459229397.db2.gz MSIGBOACUPAOJH-SJORKVTESA-N 2 2 331.460 3.378 10 5 EGBELP C[C@H]1C[NH+](CCCNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@H](C)O1 ZINC000599023034 460129952 /nfs/dbraw/zinc/12/99/52/460129952.db2.gz QHLHPPJYJMSBMS-KBPBESRZSA-N 2 2 344.415 3.054 10 5 EGBELP CCC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCOC)c1cccc([N+](=O)[O-])c1 ZINC000163378326 143979170 /nfs/dbraw/zinc/97/91/70/143979170.db2.gz MXEFAXYUCSALIT-ROUUACIJSA-N 2 2 335.448 3.136 10 5 EGBELP CCC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCOC)c1cccc([N+](=O)[O-])c1 ZINC000163378326 143979172 /nfs/dbraw/zinc/97/91/72/143979172.db2.gz MXEFAXYUCSALIT-ROUUACIJSA-N 2 2 335.448 3.136 10 5 EGBELP COc1cc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000538712881 314268698 /nfs/dbraw/zinc/26/86/98/314268698.db2.gz WNRGQZGYZGNWGM-UHFFFAOYSA-N 2 2 342.399 3.075 10 5 EGBELP COc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000352783297 456303102 /nfs/dbraw/zinc/30/31/02/456303102.db2.gz JESIROPQXCHWLJ-DOTOQJQBSA-N 2 2 345.443 3.052 10 5 EGBELP COc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000352783297 456303106 /nfs/dbraw/zinc/30/31/06/456303106.db2.gz JESIROPQXCHWLJ-DOTOQJQBSA-N 2 2 345.443 3.052 10 5 EGBELP COc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000352783297 456303111 /nfs/dbraw/zinc/30/31/11/456303111.db2.gz JESIROPQXCHWLJ-DOTOQJQBSA-N 2 2 345.443 3.052 10 5 EGBELP COc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000352783297 456303117 /nfs/dbraw/zinc/30/31/17/456303117.db2.gz JESIROPQXCHWLJ-DOTOQJQBSA-N 2 2 345.443 3.052 10 5 EGBELP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc(N)cc[nH+]1 ZINC000925772237 1325293928 /nfs/dbraw/zinc/29/39/28/1325293928.db2.gz RBQFNHUSLXYCQR-CYBMUJFWSA-N 2 2 332.429 3.233 10 5 EGBELP Cn1cc[nH+]c1CC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000172179369 144017055 /nfs/dbraw/zinc/01/70/55/144017055.db2.gz AVZZQSXDQSKTPS-UHFFFAOYSA-N 2 2 348.834 3.436 10 5 EGBELP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420401664 309286492 /nfs/dbraw/zinc/28/64/92/309286492.db2.gz POKXFTBLLUMLOI-MAUKXSAKSA-N 2 2 347.459 3.346 10 5 EGBELP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420401664 309286493 /nfs/dbraw/zinc/28/64/93/309286493.db2.gz POKXFTBLLUMLOI-MAUKXSAKSA-N 2 2 347.459 3.346 10 5 EGBELP O=[N+]([O-])c1ccc2[nH+]ccc(NC3CCN(c4cccc[nH+]4)CC3)c2c1 ZINC000601104876 460712310 /nfs/dbraw/zinc/71/23/10/460712310.db2.gz KCYIVMFFXAREIB-UHFFFAOYSA-N 2 2 349.394 3.041 10 5 EGBELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000361865388 457917465 /nfs/dbraw/zinc/91/74/65/457917465.db2.gz MOKCGSBAJMXPDY-UHFFFAOYSA-N 2 2 349.394 3.042 10 5 EGBELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000361865388 457917471 /nfs/dbraw/zinc/91/74/71/457917471.db2.gz MOKCGSBAJMXPDY-UHFFFAOYSA-N 2 2 349.394 3.042 10 5 EGBELP CCC1([NH+]2CCOCC2)CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000599082426 460155265 /nfs/dbraw/zinc/15/52/65/460155265.db2.gz BQDZDPLEMMXTMQ-MRXNPFEDSA-N 2 2 347.459 3.233 10 5 EGBELP CC(C)C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])CC1CC[NH+](C)CC1 ZINC001308027996 1384077312 /nfs/dbraw/zinc/07/73/12/1384077312.db2.gz NFSCQXHORKXKEF-UHFFFAOYSA-N 2 2 335.448 3.100 10 5 EGBELP CC(C)C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])CC1CC[NH+](C)CC1 ZINC001308027996 1384077315 /nfs/dbraw/zinc/07/73/15/1384077315.db2.gz NFSCQXHORKXKEF-UHFFFAOYSA-N 2 2 335.448 3.100 10 5 EGBELP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000095431716 218373836 /nfs/dbraw/zinc/37/38/36/218373836.db2.gz XODZVGQZRXUQBK-HNNXBMFYSA-N 2 2 340.427 3.305 10 5 EGBELP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1cn(C)c[nH+]1 ZINC000414120111 309062236 /nfs/dbraw/zinc/06/22/36/309062236.db2.gz APUDPSCVNUBXPV-CYBMUJFWSA-N 2 2 334.445 3.031 10 5 EGBELP C[C@@H]1C[C@H]([NH+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC[N@@H+]1C ZINC000089908025 454232065 /nfs/dbraw/zinc/23/20/65/454232065.db2.gz QKPOGSJDFQUVAQ-CXAGYDPISA-N 2 2 344.415 3.164 10 5 EGBELP C[C@@H]1C[C@H]([NH+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC[N@H+]1C ZINC000089908025 454232069 /nfs/dbraw/zinc/23/20/69/454232069.db2.gz QKPOGSJDFQUVAQ-CXAGYDPISA-N 2 2 344.415 3.164 10 5 EGBELP C[C@@H]1C[C@H]([N@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC[NH+]1C ZINC000089908025 454232071 /nfs/dbraw/zinc/23/20/71/454232071.db2.gz QKPOGSJDFQUVAQ-CXAGYDPISA-N 2 2 344.415 3.164 10 5 EGBELP C[C@@H]1C[C@H]([N@@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC[NH+]1C ZINC000089908025 454232075 /nfs/dbraw/zinc/23/20/75/454232075.db2.gz QKPOGSJDFQUVAQ-CXAGYDPISA-N 2 2 344.415 3.164 10 5 EGBELP O=[N+]([O-])c1cccc2c1CC[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC000153375031 454787884 /nfs/dbraw/zinc/78/78/84/454787884.db2.gz AQEOGVIITWWYHO-UHFFFAOYSA-N 2 2 334.379 3.339 10 5 EGBELP O=[N+]([O-])c1cccc2c1CC[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC000153375031 454787888 /nfs/dbraw/zinc/78/78/88/454787888.db2.gz AQEOGVIITWWYHO-UHFFFAOYSA-N 2 2 334.379 3.339 10 5 EGBELP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000589349844 460077431 /nfs/dbraw/zinc/07/74/31/460077431.db2.gz TZFGAOIOCNCGIP-CHWSQXEVSA-N 2 2 346.456 3.336 10 5 EGBELP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000589349844 460077438 /nfs/dbraw/zinc/07/74/38/460077438.db2.gz TZFGAOIOCNCGIP-CHWSQXEVSA-N 2 2 346.456 3.336 10 5 EGBELP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3[nH+]c[nH]c3C1)CCCC2 ZINC000417353843 309202661 /nfs/dbraw/zinc/20/26/61/309202661.db2.gz YFUXBIDDUWMXHH-CZUORRHYSA-N 2 2 326.400 3.233 10 5 EGBELP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3[nH]c[nH+]c3C1)CCCC2 ZINC000417353843 309202662 /nfs/dbraw/zinc/20/26/62/309202662.db2.gz YFUXBIDDUWMXHH-CZUORRHYSA-N 2 2 326.400 3.233 10 5 EGBELP [NH3+][C@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccccc1 ZINC000423247151 309392229 /nfs/dbraw/zinc/39/22/29/309392229.db2.gz QCZROXMZKULOBP-QZTJIDSGSA-N 2 2 325.412 3.206 10 5 EGBELP CC1(C)C[C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c2cc([N+](=O)[O-])ccc21 ZINC000353617215 456806170 /nfs/dbraw/zinc/80/61/70/456806170.db2.gz CNLWPPQZFFVMEB-DIFFPNOSSA-N 2 2 326.400 3.187 10 5 EGBELP CC1(C)C[C@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c2cc([N+](=O)[O-])ccc21 ZINC000353617215 456806176 /nfs/dbraw/zinc/80/61/76/456806176.db2.gz CNLWPPQZFFVMEB-DIFFPNOSSA-N 2 2 326.400 3.187 10 5 EGBELP O=[N+]([O-])c1cccc([C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)c2ccccc2)c1 ZINC000427846367 458044028 /nfs/dbraw/zinc/04/40/28/458044028.db2.gz HHEHIONLENDLRV-XLIONFOSSA-N 2 2 348.406 3.485 10 5 EGBELP C[NH+]1CCC2(CCN(c3[nH+]ccc4ccc([N+](=O)[O-])cc43)C2)CC1 ZINC000596237176 459570472 /nfs/dbraw/zinc/57/04/72/459570472.db2.gz AGSQGVRYPRTHAE-UHFFFAOYSA-N 2 2 326.400 3.065 10 5 EGBELP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000592479425 459609756 /nfs/dbraw/zinc/60/97/56/459609756.db2.gz YAKHRJFKSFKHED-MAUKXSAKSA-N 2 2 347.459 3.346 10 5 EGBELP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000592479425 459609761 /nfs/dbraw/zinc/60/97/61/459609761.db2.gz YAKHRJFKSFKHED-MAUKXSAKSA-N 2 2 347.459 3.346 10 5 EGBELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000178302198 232130777 /nfs/dbraw/zinc/13/07/77/232130777.db2.gz JPGSJZJQAFQNQW-OAHLLOKOSA-N 2 2 334.807 3.418 10 5 EGBELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000178302198 232130778 /nfs/dbraw/zinc/13/07/78/232130778.db2.gz JPGSJZJQAFQNQW-OAHLLOKOSA-N 2 2 334.807 3.418 10 5 EGBELP CCc1ccc([C@H]([NH2+][C@H]2CC[NH2+]C[C@H]2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423389712 309398271 /nfs/dbraw/zinc/39/82/71/309398271.db2.gz JNSWHOVDVYKCDU-XVGQJIODSA-N 2 2 343.427 3.427 10 5 EGBELP C[NH+](C)C1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000091670242 454455782 /nfs/dbraw/zinc/45/57/82/454455782.db2.gz HNUIDNZIJPIECR-UHFFFAOYSA-N 2 2 329.400 3.381 10 5 EGBELP C[C@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1n1cc[nH+]c1 ZINC000245561865 455330599 /nfs/dbraw/zinc/33/05/99/455330599.db2.gz CIUHOVIOGRUQBH-MAUKXSAKSA-N 2 2 344.415 3.143 10 5 EGBELP C[C@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1n1cc[nH+]c1 ZINC000245561865 455330604 /nfs/dbraw/zinc/33/06/04/455330604.db2.gz CIUHOVIOGRUQBH-MAUKXSAKSA-N 2 2 344.415 3.143 10 5 EGBELP C[C@H](C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000425942520 457656924 /nfs/dbraw/zinc/65/69/24/457656924.db2.gz FTVATWJGNWTZJW-DNVCBOLYSA-N 2 2 327.428 3.472 10 5 EGBELP COc1ccc(-c2ccc(C[NH2+][C@H]3CCCC[NH2+]C3)o2)c([N+](=O)[O-])c1 ZINC000415064050 309117722 /nfs/dbraw/zinc/11/77/22/309117722.db2.gz BNUXSUCXKKZFIA-ZDUSSCGKSA-N 2 2 345.399 3.095 10 5 EGBELP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000594739312 459147924 /nfs/dbraw/zinc/14/79/24/459147924.db2.gz UVHKFOPKEYKICG-RTBURBONSA-N 2 2 325.412 3.139 10 5 EGBELP [NH3+][C@H]1CC[C@H](N(Cc2cccc([N+](=O)[O-])c2)c2cccc[nH+]2)CC1 ZINC000895112483 1309197106 /nfs/dbraw/zinc/19/71/06/1309197106.db2.gz WRJVMHHODYRWLW-WKILWMFISA-N 2 2 326.400 3.266 10 5 EGBELP O=[N+]([O-])c1ccc(CC[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC001175668944 1385368667 /nfs/dbraw/zinc/36/86/67/1385368667.db2.gz IZAGILJDPWLRSK-IBGZPJMESA-N 2 2 336.395 3.365 10 5 EGBELP Cn1cc[nH+]c1CC1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000116278441 152054921 /nfs/dbraw/zinc/05/49/21/152054921.db2.gz VMCLFGVDSQLVDZ-UHFFFAOYSA-N 2 2 348.834 3.436 10 5 EGBELP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000124040093 222368809 /nfs/dbraw/zinc/36/88/09/222368809.db2.gz WWWZFZROVNPJKI-HOCLYGCPSA-N 2 2 335.448 3.297 10 5 EGBELP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000124040093 222368810 /nfs/dbraw/zinc/36/88/10/222368810.db2.gz WWWZFZROVNPJKI-HOCLYGCPSA-N 2 2 335.448 3.297 10 5 EGBELP CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000124040093 222368812 /nfs/dbraw/zinc/36/88/12/222368812.db2.gz WWWZFZROVNPJKI-HOCLYGCPSA-N 2 2 335.448 3.297 10 5 EGBELP CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000124040093 222368817 /nfs/dbraw/zinc/36/88/17/222368817.db2.gz WWWZFZROVNPJKI-HOCLYGCPSA-N 2 2 335.448 3.297 10 5 EGBELP CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265451460 455327293 /nfs/dbraw/zinc/32/72/93/455327293.db2.gz CKBNIOVPVOCBFR-UHFFFAOYSA-N 2 2 344.415 3.485 10 5 EGBELP C[C@@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1n1cc[nH+]c1 ZINC000245561862 455330757 /nfs/dbraw/zinc/33/07/57/455330757.db2.gz CIUHOVIOGRUQBH-CRAIPNDOSA-N 2 2 344.415 3.143 10 5 EGBELP C[C@@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1n1cc[nH+]c1 ZINC000245561862 455330761 /nfs/dbraw/zinc/33/07/61/455330761.db2.gz CIUHOVIOGRUQBH-CRAIPNDOSA-N 2 2 344.415 3.143 10 5 EGBELP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246138797 455434652 /nfs/dbraw/zinc/43/46/52/455434652.db2.gz NKFCCPNZEXKUDU-GJZGRUSLSA-N 2 2 326.400 3.485 10 5 EGBELP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246138797 455434656 /nfs/dbraw/zinc/43/46/56/455434656.db2.gz NKFCCPNZEXKUDU-GJZGRUSLSA-N 2 2 326.400 3.485 10 5 EGBELP CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000246468308 455495179 /nfs/dbraw/zinc/49/51/79/455495179.db2.gz GQEZBEDMVCYSBJ-WMLDXEAASA-N 2 2 335.448 3.156 10 5 EGBELP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000246468308 455495184 /nfs/dbraw/zinc/49/51/84/455495184.db2.gz GQEZBEDMVCYSBJ-WMLDXEAASA-N 2 2 335.448 3.156 10 5 EGBELP CCOc1ccc([N+](=O)[O-])cc1C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000246468308 455495189 /nfs/dbraw/zinc/49/51/89/455495189.db2.gz GQEZBEDMVCYSBJ-WMLDXEAASA-N 2 2 335.448 3.156 10 5 EGBELP CCOc1ccc([N+](=O)[O-])cc1C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000246468308 455495191 /nfs/dbraw/zinc/49/51/91/455495191.db2.gz GQEZBEDMVCYSBJ-WMLDXEAASA-N 2 2 335.448 3.156 10 5 EGBELP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000182684453 455568053 /nfs/dbraw/zinc/56/80/53/455568053.db2.gz ITZRNNQMBVHQPB-CVEARBPZSA-N 2 2 347.459 3.149 10 5 EGBELP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000182684453 455568059 /nfs/dbraw/zinc/56/80/59/455568059.db2.gz ITZRNNQMBVHQPB-CVEARBPZSA-N 2 2 347.459 3.149 10 5 EGBELP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000595055131 459229619 /nfs/dbraw/zinc/22/96/19/459229619.db2.gz TUEIZIGQJCBICW-HLIUYOAVSA-N 2 2 333.432 3.271 10 5 EGBELP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595908190 459482737 /nfs/dbraw/zinc/48/27/37/459482737.db2.gz ZNANHVGQGPTPSO-RDJZCZTQSA-N 2 2 335.448 3.007 10 5 EGBELP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595908190 459482744 /nfs/dbraw/zinc/48/27/44/459482744.db2.gz ZNANHVGQGPTPSO-RDJZCZTQSA-N 2 2 335.448 3.007 10 5 EGBELP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000925763207 1325290280 /nfs/dbraw/zinc/29/02/80/1325290280.db2.gz QYZSLBBNQJNGRR-OLZOCXBDSA-N 2 2 342.237 3.107 10 5 EGBELP CCC[C@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000925791540 1325302241 /nfs/dbraw/zinc/30/22/41/1325302241.db2.gz ATYXVNTYXIQGBL-WMZOPIPTSA-N 2 2 347.459 3.184 10 5 EGBELP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000414929098 309109784 /nfs/dbraw/zinc/10/97/84/309109784.db2.gz NOLJJKLZOYNYKW-LRDDRELGSA-N 2 2 331.441 3.411 10 5 EGBELP C[C@H]1C[C@H]([NH+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC[N@@H+]1C ZINC000089908026 454231638 /nfs/dbraw/zinc/23/16/38/454231638.db2.gz QKPOGSJDFQUVAQ-SUMWQHHRSA-N 2 2 344.415 3.164 10 5 EGBELP C[C@H]1C[C@H]([NH+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC[N@H+]1C ZINC000089908026 454231642 /nfs/dbraw/zinc/23/16/42/454231642.db2.gz QKPOGSJDFQUVAQ-SUMWQHHRSA-N 2 2 344.415 3.164 10 5 EGBELP C[C@H]1C[C@H]([N@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC[NH+]1C ZINC000089908026 454231647 /nfs/dbraw/zinc/23/16/47/454231647.db2.gz QKPOGSJDFQUVAQ-SUMWQHHRSA-N 2 2 344.415 3.164 10 5 EGBELP C[C@H]1C[C@H]([N@@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC[NH+]1C ZINC000089908026 454231652 /nfs/dbraw/zinc/23/16/52/454231652.db2.gz QKPOGSJDFQUVAQ-SUMWQHHRSA-N 2 2 344.415 3.164 10 5 EGBELP Cc1c([C@H](C)[NH2+]Cc2cccnc2-n2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000151508977 454994901 /nfs/dbraw/zinc/99/49/01/454994901.db2.gz GGLBCMREYRTHQQ-AWEZNQCLSA-N 2 2 337.383 3.335 10 5 EGBELP COc1ccc(-c2ccc(C[NH2+]CCC[NH+]3CCC3)o2)c([N+](=O)[O-])c1 ZINC000594499097 459062972 /nfs/dbraw/zinc/06/29/72/459062972.db2.gz CIZYIXTVDORJEA-UHFFFAOYSA-N 2 2 345.399 3.049 10 5 EGBELP Cc1noc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1[N+](=O)[O-] ZINC000595421770 459295662 /nfs/dbraw/zinc/29/56/62/459295662.db2.gz UROTZDAGOHWLAC-NSHDSACASA-N 2 2 341.371 3.236 10 5 EGBELP