smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1ccccc1NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000014306767 401811380 /nfs/dbraw/zinc/81/13/80/401811380.db2.gz HBXAYRCHGGAGMN-UHFFFAOYSA-N 1 2 314.345 2.439 50 5 DEBALO CC(C)C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000069702428 402239711 /nfs/dbraw/zinc/23/97/11/402239711.db2.gz OPTHNRGUWUODJT-LBPRGKRZSA-N 1 2 323.368 2.471 50 5 DEBALO CC(C)C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000069702428 402239713 /nfs/dbraw/zinc/23/97/13/402239713.db2.gz OPTHNRGUWUODJT-LBPRGKRZSA-N 1 2 323.368 2.471 50 5 DEBALO Cc1nn(C[NH+]2CCN(c3ccccc3)CC2)c(C)c1[N+](=O)[O-] ZINC000025499972 401835187 /nfs/dbraw/zinc/83/51/87/401835187.db2.gz XFCMIKZOAPPQAH-UHFFFAOYSA-N 1 2 315.377 2.188 50 5 DEBALO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC1 ZINC000032156261 401876871 /nfs/dbraw/zinc/87/68/71/401876871.db2.gz HYGGCVYVVXKBDP-SNVBAGLBSA-N 1 2 300.318 2.309 50 5 DEBALO COC(=O)[C@]1(C)[C@H](c2ccc(C)cc2)[C@H]([N+](=O)[O-])[C@H]2CCC[N@@H+]21 ZINC000643919609 778935553 /nfs/dbraw/zinc/93/55/53/778935553.db2.gz KCZDAYGAROCAGL-ANQUJSFKSA-N 1 2 318.373 2.134 50 5 DEBALO O=c1oc2ccccc2c(NCCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000004025364 181063411 /nfs/dbraw/zinc/06/34/11/181063411.db2.gz MBUGWKYWKZFKDM-UHFFFAOYSA-N 1 2 314.301 2.400 50 5 DEBALO O=[N+]([O-])c1cc(Cl)c(N2CC[NH+](CCO)CC2)c(Cl)c1 ZINC000095997070 402044818 /nfs/dbraw/zinc/04/48/18/402044818.db2.gz OIOJOVYKGPHARL-UHFFFAOYSA-N 1 2 320.176 2.016 50 5 DEBALO O=[N+]([O-])c1cccc(F)c1CSCC[NH+]1CCOCC1 ZINC000095977039 402040096 /nfs/dbraw/zinc/04/00/96/402040096.db2.gz PDJZRSIJDSPJBY-UHFFFAOYSA-N 1 2 300.355 2.299 50 5 DEBALO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cscn3)C2)nc1 ZINC000096443415 402088288 /nfs/dbraw/zinc/08/82/88/402088288.db2.gz MXLWDZMRYLYBMC-SNVBAGLBSA-N 1 2 305.363 2.133 50 5 DEBALO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cscn3)C2)nc1 ZINC000096443415 402088290 /nfs/dbraw/zinc/08/82/90/402088290.db2.gz MXLWDZMRYLYBMC-SNVBAGLBSA-N 1 2 305.363 2.133 50 5 DEBALO CC[N@H+](CC(=O)NC1CCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC000069560536 402231207 /nfs/dbraw/zinc/23/12/07/402231207.db2.gz FILYLSCEDDSCEB-UHFFFAOYSA-N 1 2 305.378 2.476 50 5 DEBALO CC[N@@H+](CC(=O)NC1CCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC000069560536 402231209 /nfs/dbraw/zinc/23/12/09/402231209.db2.gz FILYLSCEDDSCEB-UHFFFAOYSA-N 1 2 305.378 2.476 50 5 DEBALO O=[N+]([O-])c1ccc2oc(CSCC[NH+]3CCOCC3)nc2c1 ZINC000095446231 185367632 /nfs/dbraw/zinc/36/76/32/185367632.db2.gz AWBQECNQLSKMLN-UHFFFAOYSA-N 1 2 323.374 2.301 50 5 DEBALO CC(C)CC(=O)N1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000019446479 182124081 /nfs/dbraw/zinc/12/40/81/182124081.db2.gz YWIYJPUHMCNQTD-UHFFFAOYSA-N 1 2 305.378 2.285 50 5 DEBALO CC(C)CC(=O)N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000019782498 182148486 /nfs/dbraw/zinc/14/84/86/182148486.db2.gz QKTAMXZTQCVIEC-UHFFFAOYSA-N 1 2 305.378 2.285 50 5 DEBALO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(C(=O)C2CC2)CC1 ZINC000024594976 182384935 /nfs/dbraw/zinc/38/49/35/182384935.db2.gz UIQUXILVDHZUOQ-GFCCVEGCSA-N 1 2 303.362 2.210 50 5 DEBALO Cc1c(C[N@@H+](C)[C@H](C)[C@@H](C)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000071904643 401695108 /nfs/dbraw/zinc/69/51/08/401695108.db2.gz QLZKXELTOPYTGQ-VXGBXAGGSA-N 1 2 314.407 2.157 50 5 DEBALO Cc1c(C[N@H+](C)[C@H](C)[C@@H](C)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000071904643 401695111 /nfs/dbraw/zinc/69/51/11/401695111.db2.gz QLZKXELTOPYTGQ-VXGBXAGGSA-N 1 2 314.407 2.157 50 5 DEBALO O=C(/C=C/c1ccccc1[N+](=O)[O-])NCCCCn1cc[nH+]c1 ZINC000079050390 185149285 /nfs/dbraw/zinc/14/92/85/185149285.db2.gz UDLAHZUIGDAGCY-BQYQJAHWSA-N 1 2 314.345 2.401 50 5 DEBALO C[C@H](CS(=O)(=O)c1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000004755756 181149107 /nfs/dbraw/zinc/14/91/07/181149107.db2.gz HFYINWQZOJQTAP-GFCCVEGCSA-N 1 2 312.391 2.243 50 5 DEBALO O=[N+]([O-])c1cccc(CN2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000000178679 401689141 /nfs/dbraw/zinc/68/91/41/401689141.db2.gz MPLAQPCJHNYZJL-UHFFFAOYSA-N 1 2 312.373 2.308 50 5 DEBALO O=[N+]([O-])c1cccc(C[NH+]2CCN(Cc3ccncc3)CC2)c1 ZINC000000178679 401689142 /nfs/dbraw/zinc/68/91/42/401689142.db2.gz MPLAQPCJHNYZJL-UHFFFAOYSA-N 1 2 312.373 2.308 50 5 DEBALO Cn1cnc([N+](=O)[O-])c1NCCCc1[nH+]c2ccccc2n1C ZINC000076093066 401782368 /nfs/dbraw/zinc/78/23/68/401782368.db2.gz MOKYCDHLVRBCBO-UHFFFAOYSA-N 1 2 314.349 2.260 50 5 DEBALO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H](C1CC1)[NH+]1CCCC1 ZINC000097376269 402123438 /nfs/dbraw/zinc/12/34/38/402123438.db2.gz IYCGJFBTMZOKTG-AWEZNQCLSA-N 1 2 305.334 2.113 50 5 DEBALO COC(=O)c1ccc(NCCNc2cccc[nH+]2)c([N+](=O)[O-])c1 ZINC000009314760 401760979 /nfs/dbraw/zinc/76/09/79/401760979.db2.gz HRWQPAGPBKNKLO-UHFFFAOYSA-N 1 2 316.317 2.300 50 5 DEBALO C[N@H+](Cc1cccs1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000030921409 401867286 /nfs/dbraw/zinc/86/72/86/401867286.db2.gz LQOSFSMRTYACLF-UHFFFAOYSA-N 1 2 305.359 2.387 50 5 DEBALO C[N@@H+](Cc1cccs1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000030921409 401867287 /nfs/dbraw/zinc/86/72/87/401867287.db2.gz LQOSFSMRTYACLF-UHFFFAOYSA-N 1 2 305.359 2.387 50 5 DEBALO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCCC2(C1)OCCO2 ZINC000221828212 646406583 /nfs/dbraw/zinc/40/65/83/646406583.db2.gz RIGCTLMYMGCSKA-UTCJRWHESA-N 1 2 304.346 2.447 50 5 DEBALO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCCC2(C1)OCCO2 ZINC000221828212 646406586 /nfs/dbraw/zinc/40/65/86/646406586.db2.gz RIGCTLMYMGCSKA-UTCJRWHESA-N 1 2 304.346 2.447 50 5 DEBALO CNc1ccc([N+](=O)[O-])cc1C(=O)NCCCCn1cc[nH+]c1 ZINC000058152390 184081542 /nfs/dbraw/zinc/08/15/42/184081542.db2.gz CDJMANBOZOIJLD-UHFFFAOYSA-N 1 2 317.349 2.043 50 5 DEBALO C[C@@H](Cn1cc[nH+]c1)NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000047265014 401980133 /nfs/dbraw/zinc/98/01/33/401980133.db2.gz JCRPYXMSLBWIJO-SYTKJHMZSA-N 1 2 300.318 2.009 50 5 DEBALO C[C@H](Cn1cc[nH+]c1)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000047265012 401980242 /nfs/dbraw/zinc/98/02/42/401980242.db2.gz RMGINTIVICNBJK-BTDICHCPSA-N 1 2 300.318 2.009 50 5 DEBALO CCc1ccc(C(=O)N(C)Cc2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000089286478 401941329 /nfs/dbraw/zinc/94/13/29/401941329.db2.gz KKAOCSFIXRKQRQ-UHFFFAOYSA-N 1 2 302.334 2.163 50 5 DEBALO Cc1cc([N+](=O)[O-])cnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000096453280 402090784 /nfs/dbraw/zinc/09/07/84/402090784.db2.gz CZEUXSOEGHUCNE-UHFFFAOYSA-N 1 2 313.361 2.015 50 5 DEBALO O=[N+]([O-])c1ccc(CN2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000004706748 181140632 /nfs/dbraw/zinc/14/06/32/181140632.db2.gz CAWSECWYYQZEHZ-UHFFFAOYSA-N 1 2 312.373 2.308 50 5 DEBALO O=[N+]([O-])c1ccc(C[NH+]2CCN(Cc3ccncc3)CC2)cc1 ZINC000004706748 181140634 /nfs/dbraw/zinc/14/06/34/181140634.db2.gz CAWSECWYYQZEHZ-UHFFFAOYSA-N 1 2 312.373 2.308 50 5 DEBALO C[C@@H](CS(=O)(=O)c1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000004755755 181149029 /nfs/dbraw/zinc/14/90/29/181149029.db2.gz HFYINWQZOJQTAP-LBPRGKRZSA-N 1 2 312.391 2.243 50 5 DEBALO O=C(NCCCn1cc[nH+]c1)c1cc([N+](=O)[O-])ccc1Cl ZINC000013207751 401797720 /nfs/dbraw/zinc/79/77/20/401797720.db2.gz HFYVZQMDCZYNIQ-UHFFFAOYSA-N 1 2 308.725 2.265 50 5 DEBALO C[N@H+](Cc1cccc(F)c1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000027348849 401844388 /nfs/dbraw/zinc/84/43/88/401844388.db2.gz GMVHRUCIDIMYIA-UHFFFAOYSA-N 1 2 317.320 2.465 50 5 DEBALO C[N@@H+](Cc1cccc(F)c1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000027348849 401844391 /nfs/dbraw/zinc/84/43/91/401844391.db2.gz GMVHRUCIDIMYIA-UHFFFAOYSA-N 1 2 317.320 2.465 50 5 DEBALO COc1ccc(C[N@H+](C)[C@H](C)C(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000069532286 402229700 /nfs/dbraw/zinc/22/97/00/402229700.db2.gz YIMKBGLFIJUWFN-GFCCVEGCSA-N 1 2 321.377 2.046 50 5 DEBALO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000069532286 402229703 /nfs/dbraw/zinc/22/97/03/402229703.db2.gz YIMKBGLFIJUWFN-GFCCVEGCSA-N 1 2 321.377 2.046 50 5 DEBALO O=[N+]([O-])c1cc(F)ccc1N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000160419452 304800558 /nfs/dbraw/zinc/80/05/58/304800558.db2.gz QLGDIOPYXYSKPW-ZDUSSCGKSA-N 1 2 309.341 2.035 50 5 DEBALO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1ccc([N+](=O)[O-])o1 ZINC000040052551 183030118 /nfs/dbraw/zinc/03/01/18/183030118.db2.gz RREMUCXGCBKPKF-UHFFFAOYSA-N 1 2 316.317 2.113 50 5 DEBALO CCOC(=O)C[N@H+]1CC=C(c2cc(C)c(N)c([N+](=O)[O-])c2)CC1 ZINC000072308613 401708649 /nfs/dbraw/zinc/70/86/49/401708649.db2.gz AEFOEOMFXDIWRB-UHFFFAOYSA-N 1 2 319.361 2.138 50 5 DEBALO CCOC(=O)C[N@@H+]1CC=C(c2cc(C)c(N)c([N+](=O)[O-])c2)CC1 ZINC000072308613 401708652 /nfs/dbraw/zinc/70/86/52/401708652.db2.gz AEFOEOMFXDIWRB-UHFFFAOYSA-N 1 2 319.361 2.138 50 5 DEBALO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCN(CC(F)F)CC1 ZINC000092586482 185327074 /nfs/dbraw/zinc/32/70/74/185327074.db2.gz JVHVPLNBVMLKFQ-HWKANZROSA-N 1 2 311.332 2.491 50 5 DEBALO O=C(c1ccn2cc[nH+]c2c1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000095441632 185366485 /nfs/dbraw/zinc/36/64/85/185366485.db2.gz RROMDHFBEIQMMM-UHFFFAOYSA-N 1 2 322.324 2.441 50 5 DEBALO Cc1cc([N+](=O)[O-])cn(Cc2ccc(-n3cc[nH+]c3)cc2)c1=O ZINC000188113062 200196195 /nfs/dbraw/zinc/19/61/95/200196195.db2.gz BZRRYKMBIBKDIK-UHFFFAOYSA-N 1 2 310.313 2.299 50 5 DEBALO Cc1ccc(S(=O)(=O)Nc2cc[nH+]cc2C)c([N+](=O)[O-])c1 ZINC000072281372 401706199 /nfs/dbraw/zinc/70/61/99/401706199.db2.gz PFKIWVAGHIGKNA-UHFFFAOYSA-N 1 2 307.331 2.407 50 5 DEBALO O=[N+]([O-])c1cnc2c(c1)C[N@H+](C[C@@H](O)c1ccc(F)cc1)CC2 ZINC000097110205 402108581 /nfs/dbraw/zinc/10/85/81/402108581.db2.gz LJHNDKLOEYDRSS-MRXNPFEDSA-N 1 2 317.320 2.221 50 5 DEBALO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](C[C@@H](O)c1ccc(F)cc1)CC2 ZINC000097110205 402108583 /nfs/dbraw/zinc/10/85/83/402108583.db2.gz LJHNDKLOEYDRSS-MRXNPFEDSA-N 1 2 317.320 2.221 50 5 DEBALO C[N@H+](Cc1ccco1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067374977 402157527 /nfs/dbraw/zinc/15/75/27/402157527.db2.gz BKYKKXXFMZIZSS-HNNXBMFYSA-N 1 2 315.329 2.425 50 5 DEBALO C[N@@H+](Cc1ccco1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067374977 402157529 /nfs/dbraw/zinc/15/75/29/402157529.db2.gz BKYKKXXFMZIZSS-HNNXBMFYSA-N 1 2 315.329 2.425 50 5 DEBALO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000177810827 402438497 /nfs/dbraw/zinc/43/84/97/402438497.db2.gz YMKFSTCAYDUCRR-LBPRGKRZSA-N 1 2 318.308 2.235 50 5 DEBALO O=C(Cn1cc[nH+]c1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000093967668 193332457 /nfs/dbraw/zinc/33/24/57/193332457.db2.gz YXDKOPRQBHPNFU-UHFFFAOYSA-N 1 2 312.232 2.031 50 5 DEBALO O=C(/C=C/c1ccccc1[N+](=O)[O-])NCCCn1cc[nH+]c1 ZINC000002829202 401719131 /nfs/dbraw/zinc/71/91/31/401719131.db2.gz WWHXAMXEMZVIKN-VOTSOKGWSA-N 1 2 300.318 2.011 50 5 DEBALO O=[N+]([O-])c1ccc(C[N@H+](CCO)Cc2cccnc2)c(F)c1 ZINC000096476122 402093614 /nfs/dbraw/zinc/09/36/14/402093614.db2.gz WUXIFZWSXVXNCO-UHFFFAOYSA-N 1 2 305.309 2.123 50 5 DEBALO O=[N+]([O-])c1ccc(C[N@@H+](CCO)Cc2cccnc2)c(F)c1 ZINC000096476122 402093616 /nfs/dbraw/zinc/09/36/16/402093616.db2.gz WUXIFZWSXVXNCO-UHFFFAOYSA-N 1 2 305.309 2.123 50 5 DEBALO NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000241170975 295128315 /nfs/dbraw/zinc/12/83/15/295128315.db2.gz KDFOMIYYCVSKNC-ZBINZKHDSA-N 1 2 321.352 2.352 50 5 DEBALO NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000241170975 295128319 /nfs/dbraw/zinc/12/83/19/295128319.db2.gz KDFOMIYYCVSKNC-ZBINZKHDSA-N 1 2 321.352 2.352 50 5 DEBALO Cc1ccc(C[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)cc1[N+](=O)[O-] ZINC000245707624 533937973 /nfs/dbraw/zinc/93/79/73/533937973.db2.gz CAIAEWKMFBPYDZ-CVEARBPZSA-N 1 2 306.362 2.283 50 5 DEBALO Cc1ccc(C[N@H+]2CCO[C@H]([C@H]3CCCO3)C2)cc1[N+](=O)[O-] ZINC000245707624 533937983 /nfs/dbraw/zinc/93/79/83/533937983.db2.gz CAIAEWKMFBPYDZ-CVEARBPZSA-N 1 2 306.362 2.283 50 5 DEBALO O=[N+]([O-])c1cccc(CN2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000000169337 401688792 /nfs/dbraw/zinc/68/87/92/401688792.db2.gz NOPNOIXUJYVFCV-UHFFFAOYSA-N 1 2 312.373 2.308 50 5 DEBALO O=[N+]([O-])c1cccc(C[NH+]2CCN(Cc3cccnc3)CC2)c1 ZINC000000169337 401688793 /nfs/dbraw/zinc/68/87/93/401688793.db2.gz NOPNOIXUJYVFCV-UHFFFAOYSA-N 1 2 312.373 2.308 50 5 DEBALO O=C(/C=C\c1ccccc1[N+](=O)[O-])NCCCCn1cc[nH+]c1 ZINC000098010007 402133809 /nfs/dbraw/zinc/13/38/09/402133809.db2.gz UDLAHZUIGDAGCY-FPLPWBNLSA-N 1 2 314.345 2.401 50 5 DEBALO Cc1cccn2cc(CNC(=O)Cc3ccccc3[N+](=O)[O-])[nH+]c12 ZINC000071435476 402275101 /nfs/dbraw/zinc/27/51/01/402275101.db2.gz HFDYDXZEDNWHRD-UHFFFAOYSA-N 1 2 324.340 2.410 50 5 DEBALO C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)c1[nH+]cnc2c1cnn2C ZINC000045025368 183475893 /nfs/dbraw/zinc/47/58/93/183475893.db2.gz SVAQINKAIVEWKS-JTQLQIEISA-N 1 2 312.333 2.469 50 5 DEBALO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCN(CC(F)F)CC1 ZINC000535085085 284880858 /nfs/dbraw/zinc/88/08/58/284880858.db2.gz JVHVPLNBVMLKFQ-HYXAFXHYSA-N 1 2 311.332 2.491 50 5 DEBALO CSc1ccc(C(=O)NCCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000029695054 401858121 /nfs/dbraw/zinc/85/81/21/401858121.db2.gz WODZIWCBYMLBLI-UHFFFAOYSA-N 1 2 320.374 2.333 50 5 DEBALO O=[N+]([O-])c1cnc2c(c1)C[N@H+](C[C@H](O)c1ccc(F)cc1)CC2 ZINC000097110207 402108960 /nfs/dbraw/zinc/10/89/60/402108960.db2.gz LJHNDKLOEYDRSS-INIZCTEOSA-N 1 2 317.320 2.221 50 5 DEBALO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](C[C@H](O)c1ccc(F)cc1)CC2 ZINC000097110207 402108964 /nfs/dbraw/zinc/10/89/64/402108964.db2.gz LJHNDKLOEYDRSS-INIZCTEOSA-N 1 2 317.320 2.221 50 5 DEBALO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000075260508 539356362 /nfs/dbraw/zinc/35/63/62/539356362.db2.gz OYDQVDGQYQHQCZ-LLVKDONJSA-N 1 2 324.724 2.168 50 5 DEBALO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000075260508 539356364 /nfs/dbraw/zinc/35/63/64/539356364.db2.gz OYDQVDGQYQHQCZ-LLVKDONJSA-N 1 2 324.724 2.168 50 5 DEBALO COC(=O)[C@]1(C)[C@H](c2ccc(C)cc2)[C@H]([N+](=O)[O-])[C@@H]2CCC[N@@H+]21 ZINC000643919610 778935405 /nfs/dbraw/zinc/93/54/05/778935405.db2.gz KCZDAYGAROCAGL-HWMZRRJGSA-N 1 2 318.373 2.134 50 5 DEBALO CC(C)(C)NC(=O)Cn1c[nH+]cc1-c1ccc([N+](=O)[O-])cc1 ZINC000000087200 401687831 /nfs/dbraw/zinc/68/78/31/401687831.db2.gz MIPRSOHLMCSDMM-UHFFFAOYSA-N 1 2 302.334 2.373 50 5 DEBALO O=C(c1ccc([N+](=O)[O-])s1)N1CCN(c2cccc[nH+]2)CC1 ZINC000008429830 401752909 /nfs/dbraw/zinc/75/29/09/401752909.db2.gz CAFIXOSSJAHDTD-UHFFFAOYSA-N 1 2 318.358 2.014 50 5 DEBALO O=C(NCC1CCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032244251 401877598 /nfs/dbraw/zinc/87/75/98/401877598.db2.gz HVCYLJCFYOESLX-UHFFFAOYSA-N 1 2 300.318 2.310 50 5 DEBALO O=C(NCCc1cn2ccccc2[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC000004248427 181087725 /nfs/dbraw/zinc/08/77/25/181087725.db2.gz MTCMZDOFUMQJKC-UHFFFAOYSA-N 1 2 310.313 2.215 50 5 DEBALO O=[N+]([O-])c1ccc(CN2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000000169359 401688694 /nfs/dbraw/zinc/68/86/94/401688694.db2.gz ZIBJIAYXUFVGJN-UHFFFAOYSA-N 1 2 312.373 2.308 50 5 DEBALO O=[N+]([O-])c1ccc(C[NH+]2CCN(Cc3cccnc3)CC2)cc1 ZINC000000169359 401688696 /nfs/dbraw/zinc/68/86/96/401688696.db2.gz ZIBJIAYXUFVGJN-UHFFFAOYSA-N 1 2 312.373 2.308 50 5 DEBALO C[C@@H](Cn1cc[nH+]c1)NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000097112591 402108655 /nfs/dbraw/zinc/10/86/55/402108655.db2.gz JCRPYXMSLBWIJO-DGMVEKRQSA-N 1 2 300.318 2.009 50 5 DEBALO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc[nH+]c(C)c1 ZINC000079029282 185147570 /nfs/dbraw/zinc/14/75/70/185147570.db2.gz LHTOOGCTNPHLIY-UHFFFAOYSA-N 1 2 323.330 2.108 50 5 DEBALO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(C(=O)C2CC2)CC1 ZINC000024594978 182384773 /nfs/dbraw/zinc/38/47/73/182384773.db2.gz UIQUXILVDHZUOQ-LBPRGKRZSA-N 1 2 303.362 2.210 50 5 DEBALO CC(C)(C)C(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000034802315 401894111 /nfs/dbraw/zinc/89/41/11/401894111.db2.gz MJKLKDKPGDFCIN-UHFFFAOYSA-N 1 2 305.378 2.332 50 5 DEBALO C[C@H](Cn1cc[nH+]c1)NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000047265016 401980470 /nfs/dbraw/zinc/98/04/70/401980470.db2.gz JCRPYXMSLBWIJO-NNNHXZLVSA-N 1 2 300.318 2.009 50 5 DEBALO CCc1nnc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1C ZINC000095985979 402042739 /nfs/dbraw/zinc/04/27/39/402042739.db2.gz YGXXKLYSHUSTOU-NSHDSACASA-N 1 2 303.366 2.445 50 5 DEBALO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@@H]1C(N)=O ZINC000069571580 402232445 /nfs/dbraw/zinc/23/24/45/402232445.db2.gz LMNHYEKYKLUPQV-CQSZACIVSA-N 1 2 321.377 2.222 50 5 DEBALO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@@H]1C(N)=O ZINC000069571580 402232450 /nfs/dbraw/zinc/23/24/50/402232450.db2.gz LMNHYEKYKLUPQV-CQSZACIVSA-N 1 2 321.377 2.222 50 5 DEBALO CC(C)C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000069702426 402239977 /nfs/dbraw/zinc/23/99/77/402239977.db2.gz OPTHNRGUWUODJT-GFCCVEGCSA-N 1 2 323.368 2.471 50 5 DEBALO CC(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000069702426 402239981 /nfs/dbraw/zinc/23/99/81/402239981.db2.gz OPTHNRGUWUODJT-GFCCVEGCSA-N 1 2 323.368 2.471 50 5 DEBALO NC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C1CCCC1 ZINC000096501207 303249757 /nfs/dbraw/zinc/24/97/57/303249757.db2.gz WRRGCPGEBKPTQJ-UHFFFAOYSA-N 1 2 311.769 2.478 50 5 DEBALO NC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C1CCCC1 ZINC000096501207 303249759 /nfs/dbraw/zinc/24/97/59/303249759.db2.gz WRRGCPGEBKPTQJ-UHFFFAOYSA-N 1 2 311.769 2.478 50 5 DEBALO Cc1cc[nH+]cc1N1CCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000330033050 257261104 /nfs/dbraw/zinc/26/11/04/257261104.db2.gz VVTOUKFJZBTSAG-UHFFFAOYSA-N 1 2 313.361 2.207 50 5 DEBALO CCN(c1cc[nH+]cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000195343736 201380986 /nfs/dbraw/zinc/38/09/86/201380986.db2.gz RXBWBRLJZOLXIP-UHFFFAOYSA-N 1 2 307.331 2.205 50 5 DEBALO CC(C)CC(=O)N1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000019446477 182123764 /nfs/dbraw/zinc/12/37/64/182123764.db2.gz XZSBDUSINWPOSM-UHFFFAOYSA-N 1 2 305.378 2.285 50 5 DEBALO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH+]2CCCCCC2)cc1 ZINC000097085536 402106175 /nfs/dbraw/zinc/10/61/75/402106175.db2.gz JNQMSXRSKCWKSR-UHFFFAOYSA-N 1 2 312.391 2.245 50 5 DEBALO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCCC2(C1)OCCO2 ZINC000097377025 402123293 /nfs/dbraw/zinc/12/32/93/402123293.db2.gz RIGCTLMYMGCSKA-ZZXKWVIFSA-N 1 2 304.346 2.447 50 5 DEBALO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCCC2(C1)OCCO2 ZINC000097377025 402123297 /nfs/dbraw/zinc/12/32/97/402123297.db2.gz RIGCTLMYMGCSKA-ZZXKWVIFSA-N 1 2 304.346 2.447 50 5 DEBALO O=[N+]([O-])c1cnc(NCC[NH+]2CC=CC2)c(Br)c1 ZINC000101473055 424847066 /nfs/dbraw/zinc/84/70/66/424847066.db2.gz ZLRZWJIEZIVFSH-UHFFFAOYSA-N 1 2 313.155 2.036 50 5 DEBALO Cc1ccc(C[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)cc1[N+](=O)[O-] ZINC000091926938 193127485 /nfs/dbraw/zinc/12/74/85/193127485.db2.gz CAIAEWKMFBPYDZ-JKSUJKDBSA-N 1 2 306.362 2.283 50 5 DEBALO Cc1ccc(C[N@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)cc1[N+](=O)[O-] ZINC000091926938 193127486 /nfs/dbraw/zinc/12/74/86/193127486.db2.gz CAIAEWKMFBPYDZ-JKSUJKDBSA-N 1 2 306.362 2.283 50 5 DEBALO O=C(NCCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000013966276 401805527 /nfs/dbraw/zinc/80/55/27/401805527.db2.gz HLKWOTLZMGIWRG-UHFFFAOYSA-N 1 2 308.725 2.265 50 5 DEBALO C[C@@H](CNc1ccc(Cl)cc1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000075610582 401763952 /nfs/dbraw/zinc/76/39/52/401763952.db2.gz RZTQFKFLQOFHDW-NSHDSACASA-N 1 2 312.801 2.296 50 5 DEBALO C[C@@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cn[nH]c1 ZINC000097141122 402111045 /nfs/dbraw/zinc/11/10/45/402111045.db2.gz JWAOAWACLVQVGU-SECBINFHSA-N 1 2 314.305 2.219 50 5 DEBALO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177810815 402438569 /nfs/dbraw/zinc/43/85/69/402438569.db2.gz YMKFSTCAYDUCRR-GFCCVEGCSA-N 1 2 318.308 2.235 50 5 DEBALO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCC3(CCC3)C2)cc1 ZINC000096502004 402097613 /nfs/dbraw/zinc/09/76/13/402097613.db2.gz DANWGUVRQPTCAM-UHFFFAOYSA-N 1 2 324.402 2.245 50 5 DEBALO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC3(CCC3)C2)cc1 ZINC000096502004 402097617 /nfs/dbraw/zinc/09/76/17/402097617.db2.gz DANWGUVRQPTCAM-UHFFFAOYSA-N 1 2 324.402 2.245 50 5 DEBALO C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000004013893 276930325 /nfs/dbraw/zinc/93/03/25/276930325.db2.gz WDTGICOJIRJONX-UHFFFAOYSA-N 1 2 300.156 2.109 50 5 DEBALO CCn1c2ccc(F)cc2[nH+]c1Cn1cccc([N+](=O)[O-])c1=O ZINC000075582507 355094735 /nfs/dbraw/zinc/09/47/35/355094735.db2.gz LGEZHTWIFFDGPR-UHFFFAOYSA-N 1 2 316.292 2.314 50 5 DEBALO CCc1cc(NCCCO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000064904458 184306381 /nfs/dbraw/zinc/30/63/81/184306381.db2.gz VWVJESZAHZQFPJ-UHFFFAOYSA-N 1 2 302.334 2.409 50 5 DEBALO Cc1cc(N2CCC[C@@H](O)C2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000058406790 402100783 /nfs/dbraw/zinc/10/07/83/402100783.db2.gz GVJOBPRJYCXKPC-CQSZACIVSA-N 1 2 314.345 2.321 50 5 DEBALO COC[C@@]1(C(=O)OC)CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000585133067 405875220 /nfs/dbraw/zinc/87/52/20/405875220.db2.gz QJWHEYXYTBBXFL-MRXNPFEDSA-N 1 2 322.361 2.139 50 5 DEBALO COC[C@@]1(C(=O)OC)CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000585133067 405875226 /nfs/dbraw/zinc/87/52/26/405875226.db2.gz QJWHEYXYTBBXFL-MRXNPFEDSA-N 1 2 322.361 2.139 50 5 DEBALO COC(=O)[C@]1(C)[C@H](c2ccc(C)cc2)[C@@H]([N+](=O)[O-])[C@@H]2CCC[N@@H+]21 ZINC000643919611 778935229 /nfs/dbraw/zinc/93/52/29/778935229.db2.gz KCZDAYGAROCAGL-IVSAIRAKSA-N 1 2 318.373 2.134 50 5 DEBALO NC(=O)c1cccc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000088605674 185260081 /nfs/dbraw/zinc/26/00/81/185260081.db2.gz NJLAXCFLYHRYAY-UHFFFAOYSA-N 1 2 311.341 2.252 50 5 DEBALO NC(=O)c1cccc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000088605674 185260082 /nfs/dbraw/zinc/26/00/82/185260082.db2.gz NJLAXCFLYHRYAY-UHFFFAOYSA-N 1 2 311.341 2.252 50 5 DEBALO O=C([C@@H]1CCCn2cc[nH+]c21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000072310055 401708706 /nfs/dbraw/zinc/70/87/06/401708706.db2.gz INYCTRIZBRDNDI-CYBMUJFWSA-N 1 2 312.329 2.258 50 5 DEBALO CC[NH+]1CCN(C(=S)Sc2ncccc2[N+](=O)[O-])CC1 ZINC000013575935 401801440 /nfs/dbraw/zinc/80/14/40/401801440.db2.gz MXUXGGGMECAUBS-UHFFFAOYSA-N 1 2 312.420 2.004 50 5 DEBALO C[N@@H+]1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3)sc2C1 ZINC000016916225 277188972 /nfs/dbraw/zinc/18/89/72/277188972.db2.gz SVFRSLHNWSNLRG-UHFFFAOYSA-N 1 2 318.358 2.292 50 5 DEBALO C[N@H+]1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3)sc2C1 ZINC000016916225 277188973 /nfs/dbraw/zinc/18/89/73/277188973.db2.gz SVFRSLHNWSNLRG-UHFFFAOYSA-N 1 2 318.358 2.292 50 5 DEBALO O=C(c1ccc([N+](=O)[O-])o1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019288179 182112588 /nfs/dbraw/zinc/11/25/88/182112588.db2.gz WJQLRFJWYFRPHO-UHFFFAOYSA-N 1 2 315.329 2.146 50 5 DEBALO Cc1c(C[N@@H+](C)[C@@H](C)[C@@H](C)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000071904642 401695193 /nfs/dbraw/zinc/69/51/93/401695193.db2.gz QLZKXELTOPYTGQ-NWDGAFQWSA-N 1 2 314.407 2.157 50 5 DEBALO Cc1c(C[N@H+](C)[C@@H](C)[C@@H](C)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000071904642 401695197 /nfs/dbraw/zinc/69/51/97/401695197.db2.gz QLZKXELTOPYTGQ-NWDGAFQWSA-N 1 2 314.407 2.157 50 5 DEBALO C[N@H+](CC(=O)NCc1cccs1)Cc1ccccc1[N+](=O)[O-] ZINC000026346565 401840040 /nfs/dbraw/zinc/84/00/40/401840040.db2.gz LTAIWDGOHASQIQ-UHFFFAOYSA-N 1 2 319.386 2.405 50 5 DEBALO C[N@@H+](CC(=O)NCc1cccs1)Cc1ccccc1[N+](=O)[O-] ZINC000026346565 401840041 /nfs/dbraw/zinc/84/00/41/401840041.db2.gz LTAIWDGOHASQIQ-UHFFFAOYSA-N 1 2 319.386 2.405 50 5 DEBALO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC000069592010 402233106 /nfs/dbraw/zinc/23/31/06/402233106.db2.gz KMORKTHLQSSIQV-NSHDSACASA-N 1 2 323.393 2.338 50 5 DEBALO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC000069592010 402233110 /nfs/dbraw/zinc/23/31/10/402233110.db2.gz KMORKTHLQSSIQV-NSHDSACASA-N 1 2 323.393 2.338 50 5 DEBALO O=C(COc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000242047807 402444301 /nfs/dbraw/zinc/44/43/01/402444301.db2.gz VQHKBEOAUYVNED-CYBMUJFWSA-N 1 2 316.317 2.060 50 5 DEBALO O=c1oc2cc([N+](=O)[O-])ccc2n1Cc1[nH+]ccn1C(F)F ZINC000095427879 185361912 /nfs/dbraw/zinc/36/19/12/185361912.db2.gz QZGWZNLVNFJOAK-UHFFFAOYSA-N 1 2 310.216 2.143 50 5 DEBALO CN(C)c1[nH+]cccc1N(C)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000079725641 401879938 /nfs/dbraw/zinc/87/99/38/401879938.db2.gz RKNSRHLFLVOKHQ-UHFFFAOYSA-N 1 2 314.345 2.261 50 5 DEBALO C[C@H](Cn1cc[nH+]c1)NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000097112589 402109021 /nfs/dbraw/zinc/10/90/21/402109021.db2.gz RMGINTIVICNBJK-FOQNGQEVSA-N 1 2 300.318 2.009 50 5 DEBALO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000195567505 402851035 /nfs/dbraw/zinc/85/10/35/402851035.db2.gz SDBHADWQMPYXHW-GFCCVEGCSA-N 1 2 321.377 2.104 50 5 DEBALO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000195567505 402851036 /nfs/dbraw/zinc/85/10/36/402851036.db2.gz SDBHADWQMPYXHW-GFCCVEGCSA-N 1 2 321.377 2.104 50 5 DEBALO O=[N+]([O-])c1cncc(Br)c1NCCn1cc[nH+]c1 ZINC000096502916 402097966 /nfs/dbraw/zinc/09/79/66/402097966.db2.gz XJRMMNSXDNUANB-UHFFFAOYSA-N 1 2 312.127 2.061 50 5 DEBALO NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000241170974 534440479 /nfs/dbraw/zinc/44/04/79/534440479.db2.gz KDFOMIYYCVSKNC-YVLXSGLVSA-N 1 2 321.352 2.352 50 5 DEBALO NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000241170974 534440489 /nfs/dbraw/zinc/44/04/89/534440489.db2.gz KDFOMIYYCVSKNC-YVLXSGLVSA-N 1 2 321.352 2.352 50 5 DEBALO O=C(CN1c2ccccc2N2CC[NH+]=C12)c1cccc([N+](=O)[O-])c1 ZINC000005395198 353993573 /nfs/dbraw/zinc/99/35/73/353993573.db2.gz ZHRZNPXZGKPAFW-UHFFFAOYSA-N 1 2 322.324 2.474 50 5 DEBALO O=[N+]([O-])c1cccc(Cn2c3ccccc3[nH+]c2NCCO)c1 ZINC000005269268 181224805 /nfs/dbraw/zinc/22/48/05/181224805.db2.gz DJWABMAVJMWMKW-UHFFFAOYSA-N 1 2 312.329 2.397 50 5 DEBALO O=[N+]([O-])c1cnn(Cc2cn3cc(Br)ccc3[nH+]2)c1 ZINC000071915108 401697050 /nfs/dbraw/zinc/69/70/50/401697050.db2.gz LSFNXBMTQSHTIA-UHFFFAOYSA-N 1 2 322.122 2.250 50 5 DEBALO C[C@H](Cn1cc[nH+]c1)NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000097112592 402108651 /nfs/dbraw/zinc/10/86/51/402108651.db2.gz JCRPYXMSLBWIJO-ZHRWSRJISA-N 1 2 300.318 2.009 50 5 DEBALO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000097376268 402123496 /nfs/dbraw/zinc/12/34/96/402123496.db2.gz IYCGJFBTMZOKTG-CQSZACIVSA-N 1 2 305.334 2.113 50 5 DEBALO Cc1cnc(Sc2nnc(C[NH+]3CCCC3)o2)c([N+](=O)[O-])c1 ZINC000078626208 355271099 /nfs/dbraw/zinc/27/10/99/355271099.db2.gz JBZOPEDXQQFENW-UHFFFAOYSA-N 1 2 321.362 2.428 50 5 DEBALO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@H]1C(N)=O ZINC000069571581 402232080 /nfs/dbraw/zinc/23/20/80/402232080.db2.gz LMNHYEKYKLUPQV-AWEZNQCLSA-N 1 2 321.377 2.222 50 5 DEBALO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@H]1C(N)=O ZINC000069571581 402232082 /nfs/dbraw/zinc/23/20/82/402232082.db2.gz LMNHYEKYKLUPQV-AWEZNQCLSA-N 1 2 321.377 2.222 50 5 DEBALO COC(=O)[C@]1(C)[C@H](c2ccc(C)cc2)[C@@H]([N+](=O)[O-])[C@H]2CCC[N@@H+]21 ZINC000643919608 778935271 /nfs/dbraw/zinc/93/52/71/778935271.db2.gz KCZDAYGAROCAGL-AIANPOQGSA-N 1 2 318.373 2.134 50 5 DEBALO O=[N+]([O-])c1ccccc1NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000029625760 401857293 /nfs/dbraw/zinc/85/72/93/401857293.db2.gz GCFSMRQTAKWRHN-HNNXBMFYSA-N 1 2 323.418 2.215 50 5 DEBALO O=[N+]([O-])c1ccc(F)cc1CSCC[NH+]1CCOCC1 ZINC000095977063 402040197 /nfs/dbraw/zinc/04/01/97/402040197.db2.gz YLUNWSNAFOJVRL-UHFFFAOYSA-N 1 2 300.355 2.299 50 5 DEBALO Cc1ccnc(N2CC[C@H](Oc3cc[nH+]cc3)C2)c1[N+](=O)[O-] ZINC000096468229 402092359 /nfs/dbraw/zinc/09/23/59/402092359.db2.gz BSIMLYKVMTUBCT-ZDUSSCGKSA-N 1 2 300.318 2.351 50 5 DEBALO C[C@@H](Cn1cc[nH+]c1)NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000097112587 402109009 /nfs/dbraw/zinc/10/90/09/402109009.db2.gz RMGINTIVICNBJK-FJOGCWAESA-N 1 2 300.318 2.009 50 5 DEBALO C[C@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cn[nH]c1 ZINC000097141120 402111024 /nfs/dbraw/zinc/11/10/24/402111024.db2.gz JWAOAWACLVQVGU-VIFPVBQESA-N 1 2 314.305 2.219 50 5 DEBALO CCn1c2ccc(F)cc2[nH+]c1Cn1cc([N+](=O)[O-])ccc1=O ZINC000066256150 402129466 /nfs/dbraw/zinc/12/94/66/402129466.db2.gz TZTMFPMYRINHJE-UHFFFAOYSA-N 1 2 316.292 2.314 50 5 DEBALO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC1 ZINC000032156265 401877151 /nfs/dbraw/zinc/87/71/51/401877151.db2.gz HYGGCVYVVXKBDP-JTQLQIEISA-N 1 2 300.318 2.309 50 5 DEBALO O=C(NCc1ccc([N+](=O)[O-])cc1)c1cccnc1-n1cc[nH+]c1 ZINC000170595069 355986745 /nfs/dbraw/zinc/98/67/45/355986745.db2.gz UEEAAXWBBVYZNA-UHFFFAOYSA-N 1 2 323.312 2.106 50 5 DEBALO O=[N+]([O-])c1ccccc1CN1CC[NH+](Cc2ccncc2)CC1 ZINC000000178653 401688981 /nfs/dbraw/zinc/68/89/81/401688981.db2.gz GDNLQFCVGQXVQE-UHFFFAOYSA-N 1 2 312.373 2.308 50 5 DEBALO O=[N+]([O-])c1ccccc1C[NH+]1CCN(Cc2ccncc2)CC1 ZINC000000178653 401688984 /nfs/dbraw/zinc/68/89/84/401688984.db2.gz GDNLQFCVGQXVQE-UHFFFAOYSA-N 1 2 312.373 2.308 50 5 DEBALO O=[N+]([O-])c1cn(Cc2[nH+]ccn2C(F)F)nc1-c1ccncc1 ZINC000081080285 539381031 /nfs/dbraw/zinc/38/10/31/539381031.db2.gz ZSOGNSQFYCKXDW-UHFFFAOYSA-N 1 2 320.259 2.493 50 5 DEBALO O=Cc1cc([N+](=O)[O-])ccc1N1CCN(c2cccc[nH+]2)CC1 ZINC000005246753 181221219 /nfs/dbraw/zinc/22/12/19/181221219.db2.gz YFLFKWQPWDJHAW-UHFFFAOYSA-N 1 2 312.329 2.129 50 5 DEBALO CC(C)(C)Nc1nc(Nc2cccc([N+](=O)[O-])c2)nc(NN)[nH+]1 ZINC000001437236 401707989 /nfs/dbraw/zinc/70/79/89/401707989.db2.gz OAGDKRKRINDUDS-UHFFFAOYSA-N 1 2 318.341 2.019 50 5 DEBALO COC[C@]1(C(=O)OC)CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000585133066 405874989 /nfs/dbraw/zinc/87/49/89/405874989.db2.gz QJWHEYXYTBBXFL-INIZCTEOSA-N 1 2 322.361 2.139 50 5 DEBALO COC[C@]1(C(=O)OC)CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000585133066 405874993 /nfs/dbraw/zinc/87/49/93/405874993.db2.gz QJWHEYXYTBBXFL-INIZCTEOSA-N 1 2 322.361 2.139 50 5 DEBALO CC(C)n1cc[nH+]c1CNc1cc([N+](=O)[O-])ccc1NCCO ZINC000095411942 185357777 /nfs/dbraw/zinc/35/77/77/185357777.db2.gz PCLHCWIGGRCAKE-UHFFFAOYSA-N 1 2 319.365 2.389 50 5 DEBALO Cc1ccc(NCCCCN2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000095973713 402039672 /nfs/dbraw/zinc/03/96/72/402039672.db2.gz WLWLKGAQTHRVIC-UHFFFAOYSA-N 1 2 306.410 2.343 50 5 DEBALO Cc1cc(N)nc(SCCOc2ccccc2[N+](=O)[O-])[nH+]1 ZINC000053563124 402057477 /nfs/dbraw/zinc/05/74/77/402057477.db2.gz KZSCCGCIXMJIHD-UHFFFAOYSA-N 1 2 306.347 2.447 50 5 DEBALO Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000097375365 402123303 /nfs/dbraw/zinc/12/33/03/402123303.db2.gz ZSPJYVXIBHHSBH-UHFFFAOYSA-N 1 2 324.300 2.010 50 5 DEBALO Cc1c(C[N@@H+](C)[C@H](C)[C@H](C)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000106853019 402218144 /nfs/dbraw/zinc/21/81/44/402218144.db2.gz QLZKXELTOPYTGQ-NEPJUHHUSA-N 1 2 314.407 2.157 50 5 DEBALO Cc1c(C[N@H+](C)[C@H](C)[C@H](C)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000106853019 402218145 /nfs/dbraw/zinc/21/81/45/402218145.db2.gz QLZKXELTOPYTGQ-NEPJUHHUSA-N 1 2 314.407 2.157 50 5 DEBALO O=C(NCc1ccn2cc[nH+]c2c1)c1ccc([N+](=O)[O-])cc1F ZINC000178066378 402456543 /nfs/dbraw/zinc/45/65/43/402456543.db2.gz ASCQTHBSJJXMDK-UHFFFAOYSA-N 1 2 314.276 2.312 50 5 DEBALO NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000106518597 194222036 /nfs/dbraw/zinc/22/20/36/194222036.db2.gz KDFOMIYYCVSKNC-XEGUGMAKSA-N 1 2 321.352 2.352 50 5 DEBALO NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000106518597 194222038 /nfs/dbraw/zinc/22/20/38/194222038.db2.gz KDFOMIYYCVSKNC-XEGUGMAKSA-N 1 2 321.352 2.352 50 5 DEBALO O=[N+]([O-])c1c[nH]nc1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000032545636 401879878 /nfs/dbraw/zinc/87/98/78/401879878.db2.gz SKTPBEUPVRLKEH-UHFFFAOYSA-N 1 2 321.768 2.294 50 5 DEBALO C[C@@H](Cn1cc[nH+]c1)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000047265010 401980067 /nfs/dbraw/zinc/98/00/67/401980067.db2.gz RMGINTIVICNBJK-FYJFLYSWSA-N 1 2 300.318 2.009 50 5 DEBALO C[C@H](c1cccc([N+](=O)[O-])c1)N(C)c1[nH+]cnc2c1cnn2C ZINC000045025369 424815470 /nfs/dbraw/zinc/81/54/70/424815470.db2.gz SVAQINKAIVEWKS-SNVBAGLBSA-N 1 2 312.333 2.469 50 5 DEBALO O=c1ccc([N+](=O)[O-])cn1CCSc1[nH+]cc2ccccn21 ZINC000095435763 185364798 /nfs/dbraw/zinc/36/47/98/185364798.db2.gz VSPSXWZMZKDDDB-UHFFFAOYSA-N 1 2 316.342 2.197 50 5 DEBALO Cc1nn(C[N@H+](C)CCOc2ccccc2)c(C)c1[N+](=O)[O-] ZINC000021323482 182272158 /nfs/dbraw/zinc/27/21/58/182272158.db2.gz CAXFNPWRXGJPRE-UHFFFAOYSA-N 1 2 304.350 2.376 50 5 DEBALO Cc1nn(C[N@@H+](C)CCOc2ccccc2)c(C)c1[N+](=O)[O-] ZINC000021323482 182272159 /nfs/dbraw/zinc/27/21/59/182272159.db2.gz CAXFNPWRXGJPRE-UHFFFAOYSA-N 1 2 304.350 2.376 50 5 DEBALO CC[N@H+](CC(=O)Nc1cc(C)no1)Cc1cccc([N+](=O)[O-])c1 ZINC000040127633 183038313 /nfs/dbraw/zinc/03/83/13/183038313.db2.gz VYHXYFKRFIJMPX-UHFFFAOYSA-N 1 2 318.333 2.352 50 5 DEBALO CC[N@@H+](CC(=O)Nc1cc(C)no1)Cc1cccc([N+](=O)[O-])c1 ZINC000040127633 183038316 /nfs/dbraw/zinc/03/83/16/183038316.db2.gz VYHXYFKRFIJMPX-UHFFFAOYSA-N 1 2 318.333 2.352 50 5 DEBALO CCc1cc(NC[C@H](C)O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000064904528 184306444 /nfs/dbraw/zinc/30/64/44/184306444.db2.gz NOPARAIOTPVGGA-JTQLQIEISA-N 1 2 302.334 2.407 50 5 DEBALO C[C@@H](CS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000000250620 401692383 /nfs/dbraw/zinc/69/23/83/401692383.db2.gz JCWGCLZJGLSHAK-LBPRGKRZSA-N 1 2 312.391 2.243 50 5 DEBALO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCCCn1cc[nH+]c1 ZINC000017030900 401820271 /nfs/dbraw/zinc/82/02/71/401820271.db2.gz HIXHJJGEIZMYNO-UHFFFAOYSA-N 1 2 303.322 2.312 50 5 DEBALO Cc1nn(C)c(NCc2cn3cc(C)ccc3[nH+]2)c1[N+](=O)[O-] ZINC000054836288 354475841 /nfs/dbraw/zinc/47/58/41/354475841.db2.gz URKFUGNBTRUZFO-UHFFFAOYSA-N 1 2 300.322 2.205 50 5 DEBALO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC(=O)Nc1ccon1 ZINC000014255521 401810698 /nfs/dbraw/zinc/81/06/98/401810698.db2.gz FHQXATGJXMHQDL-SNVBAGLBSA-N 1 2 304.306 2.214 50 5 DEBALO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC(=O)Nc1ccon1 ZINC000014255521 401810700 /nfs/dbraw/zinc/81/07/00/401810700.db2.gz FHQXATGJXMHQDL-SNVBAGLBSA-N 1 2 304.306 2.214 50 5 DEBALO C[N@H+](Cc1ccco1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067374969 402157638 /nfs/dbraw/zinc/15/76/38/402157638.db2.gz BKYKKXXFMZIZSS-OAHLLOKOSA-N 1 2 315.329 2.425 50 5 DEBALO C[N@@H+](Cc1ccco1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067374969 402157642 /nfs/dbraw/zinc/15/76/42/402157642.db2.gz BKYKKXXFMZIZSS-OAHLLOKOSA-N 1 2 315.329 2.425 50 5 DEBALO Cc1c(C[N@@H+](C)[C@@H](C)[C@H](C)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000106853022 402218103 /nfs/dbraw/zinc/21/81/03/402218103.db2.gz QLZKXELTOPYTGQ-RYUDHWBXSA-N 1 2 314.407 2.157 50 5 DEBALO Cc1c(C[N@H+](C)[C@@H](C)[C@H](C)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000106853022 402218105 /nfs/dbraw/zinc/21/81/05/402218105.db2.gz QLZKXELTOPYTGQ-RYUDHWBXSA-N 1 2 314.407 2.157 50 5 DEBALO Cc1nc(Sc2nnc(C[NH+]3CCCC3)o2)ccc1[N+](=O)[O-] ZINC000095414798 185358542 /nfs/dbraw/zinc/35/85/42/185358542.db2.gz LKMHZQWIDNEALJ-UHFFFAOYSA-N 1 2 321.362 2.428 50 5 DEBALO O=C(NCCc1cn2ccccc2[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000004248428 181088002 /nfs/dbraw/zinc/08/80/02/181088002.db2.gz BUBRLQGLDJQXGJ-UHFFFAOYSA-N 1 2 310.313 2.215 50 5 DEBALO O=[N+]([O-])c1ccc(CN2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000002735204 401717140 /nfs/dbraw/zinc/71/71/40/401717140.db2.gz FYFFBXQBLTYKMA-UHFFFAOYSA-N 1 2 312.373 2.308 50 5 DEBALO O=[N+]([O-])c1ccc(C[NH+]2CCN(Cc3ccccn3)CC2)cc1 ZINC000002735204 401717142 /nfs/dbraw/zinc/71/71/42/401717142.db2.gz FYFFBXQBLTYKMA-UHFFFAOYSA-N 1 2 312.373 2.308 50 5 DEBALO C[C@H]1C[NH+]=C(N2CCN(c3ccccc3[N+](=O)[O-])CC2)S1 ZINC000084715293 290932897 /nfs/dbraw/zinc/93/28/97/290932897.db2.gz LMIIOBNHYFJLCV-NSHDSACASA-N 1 2 306.391 2.208 50 5 DEBALO O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000025007088 182398906 /nfs/dbraw/zinc/39/89/06/182398906.db2.gz UVWRGISPVAAIII-UHFFFAOYSA-N 1 2 323.312 2.357 50 5 DEBALO O=[N+]([O-])c1ccccc1CN1CC[NH+](Cc2ccccn2)CC1 ZINC000000178650 401688912 /nfs/dbraw/zinc/68/89/12/401688912.db2.gz KSWIZWIRPZPLCA-UHFFFAOYSA-N 1 2 312.373 2.308 50 5 DEBALO O=[N+]([O-])c1ccccc1C[NH+]1CCN(Cc2ccccn2)CC1 ZINC000000178650 401688914 /nfs/dbraw/zinc/68/89/14/401688914.db2.gz KSWIZWIRPZPLCA-UHFFFAOYSA-N 1 2 312.373 2.308 50 5 DEBALO C[C@H](CNc1ccc(Cl)cc1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000075610584 401764376 /nfs/dbraw/zinc/76/43/76/401764376.db2.gz RZTQFKFLQOFHDW-LLVKDONJSA-N 1 2 312.801 2.296 50 5 DEBALO O=[N+]([O-])c1ccccc1NCc1ccc[nH+]c1N1CCOCC1 ZINC000032779288 401883209 /nfs/dbraw/zinc/88/32/09/401883209.db2.gz HMPHEXRNNIHHEK-UHFFFAOYSA-N 1 2 314.345 2.439 50 5 DEBALO Cc1cc(N2CCC[C@H](O)C2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000058406789 402101146 /nfs/dbraw/zinc/10/11/46/402101146.db2.gz GVJOBPRJYCXKPC-AWEZNQCLSA-N 1 2 314.345 2.321 50 5 DEBALO NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000106518594 295130613 /nfs/dbraw/zinc/13/06/13/295130613.db2.gz KDFOMIYYCVSKNC-DGFSRKRXSA-N 1 2 321.352 2.352 50 5 DEBALO NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000106518594 295130615 /nfs/dbraw/zinc/13/06/15/295130615.db2.gz KDFOMIYYCVSKNC-DGFSRKRXSA-N 1 2 321.352 2.352 50 5 DEBALO Cc1cnc(N2CC[NH+](Cc3ccco3)CC2)c([N+](=O)[O-])c1 ZINC000095403355 402031967 /nfs/dbraw/zinc/03/19/67/402031967.db2.gz DOMMEOMQFWDNNR-UHFFFAOYSA-N 1 2 302.334 2.213 50 5 DEBALO COc1ccc(C[N@H+](C)[C@H](C)C(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC000069592013 402233056 /nfs/dbraw/zinc/23/30/56/402233056.db2.gz KMORKTHLQSSIQV-LLVKDONJSA-N 1 2 323.393 2.338 50 5 DEBALO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC000069592013 402233059 /nfs/dbraw/zinc/23/30/59/402233059.db2.gz KMORKTHLQSSIQV-LLVKDONJSA-N 1 2 323.393 2.338 50 5 DEBALO CNc1ccc(C[NH+]2CCN(CC(F)F)CC2)cc1[N+](=O)[O-] ZINC000092586584 185327227 /nfs/dbraw/zinc/32/72/27/185327227.db2.gz QRDUWQAMANHGOZ-UHFFFAOYSA-N 1 2 314.336 2.019 50 5 DEBALO CNc1ccc(Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)c[nH+]1 ZINC000302603173 533065801 /nfs/dbraw/zinc/06/58/01/533065801.db2.gz CPBPJTGCZHDRAS-UHFFFAOYSA-N 1 2 322.346 2.179 50 5 DEBALO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCCn1cc[nH+]c1 ZINC000002665572 401716502 /nfs/dbraw/zinc/71/65/02/401716502.db2.gz VRQQRPGZJWVKTK-AATRIKPKSA-N 1 2 300.318 2.011 50 5 DEBALO Cc1ccc(C(=O)N2CC(Oc3cc[nH+]cc3)C2)cc1[N+](=O)[O-] ZINC000069367844 402219914 /nfs/dbraw/zinc/21/99/14/402219914.db2.gz LDBHMLXIFHNBIA-UHFFFAOYSA-N 1 2 313.313 2.202 50 5 DEBALO O=[N+]([O-])c1cc(F)ccc1N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000160419321 304800541 /nfs/dbraw/zinc/80/05/41/304800541.db2.gz QLGDIOPYXYSKPW-CYBMUJFWSA-N 1 2 309.341 2.035 50 5 DEBALO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000040498658 183082930 /nfs/dbraw/zinc/08/29/30/183082930.db2.gz XIERCNCAFYZDRZ-UHFFFAOYSA-N 1 2 324.300 2.131 50 5 DEBALO CCOCC1CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000071904338 401694826 /nfs/dbraw/zinc/69/48/26/401694826.db2.gz NLGZWQJAJHUPCH-UHFFFAOYSA-N 1 2 321.377 2.282 50 5 DEBALO C[N@H+](Cc1ccsc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000027365966 401845085 /nfs/dbraw/zinc/84/50/85/401845085.db2.gz PIGAWSXWDNGCMP-UHFFFAOYSA-N 1 2 305.359 2.387 50 5 DEBALO C[N@@H+](Cc1ccsc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000027365966 401845086 /nfs/dbraw/zinc/84/50/86/401845086.db2.gz PIGAWSXWDNGCMP-UHFFFAOYSA-N 1 2 305.359 2.387 50 5 DEBALO O=[N+]([O-])c1ccccc1NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000029625762 401857727 /nfs/dbraw/zinc/85/77/27/401857727.db2.gz GCFSMRQTAKWRHN-OAHLLOKOSA-N 1 2 323.418 2.215 50 5 DEBALO O=C(Nc1ccc(-n2cc[nH+]c2)nc1)c1ccc([N+](=O)[O-])s1 ZINC000024901937 182394263 /nfs/dbraw/zinc/39/42/63/182394263.db2.gz DCVMXIPYOLNYIU-UHFFFAOYSA-N 1 2 315.314 2.489 50 5 DEBALO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc([N+](=O)[O-])o1 ZINC000069390659 402221647 /nfs/dbraw/zinc/22/16/47/402221647.db2.gz HZZHMKSBMNKQDI-UHFFFAOYSA-N 1 2 312.285 2.304 50 5 DEBALO CCc1cc(NC[C@@H](C)O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000071186244 402271013 /nfs/dbraw/zinc/27/10/13/402271013.db2.gz NOPARAIOTPVGGA-SNVBAGLBSA-N 1 2 302.334 2.407 50 5 DEBALO O=[N+]([O-])c1c[nH]nc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000022239231 182315299 /nfs/dbraw/zinc/31/52/99/182315299.db2.gz KLFZIEIDNFITPW-UHFFFAOYSA-N 1 2 321.768 2.294 50 5 DEBALO Cc1ccnc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1[N+](=O)[O-] ZINC000096468232 402092569 /nfs/dbraw/zinc/09/25/69/402092569.db2.gz BSIMLYKVMTUBCT-CYBMUJFWSA-N 1 2 300.318 2.351 50 5 DEBALO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCn1cc[nH+]c1 ZINC000097145787 402111679 /nfs/dbraw/zinc/11/16/79/402111679.db2.gz GUBVHDUOXGOZLF-UHFFFAOYSA-N 1 2 303.322 2.230 50 5 DEBALO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCCCn1cc[nH+]c1 ZINC000079050395 185149252 /nfs/dbraw/zinc/14/92/52/185149252.db2.gz CFMSJMFOBTVYQA-VOTSOKGWSA-N 1 2 314.345 2.401 50 5 DEBALO O=C(/C=C\c1cccc([N+](=O)[O-])c1)NCCCCn1cc[nH+]c1 ZINC000098010008 402133667 /nfs/dbraw/zinc/13/36/67/402133667.db2.gz CFMSJMFOBTVYQA-SREVYHEPSA-N 1 2 314.345 2.401 50 5 DEBALO Cc1ccc(C[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)cc1[N+](=O)[O-] ZINC000091926935 193128099 /nfs/dbraw/zinc/12/80/99/193128099.db2.gz CAIAEWKMFBPYDZ-HOTGVXAUSA-N 1 2 306.362 2.283 50 5 DEBALO Cc1ccc(C[N@H+]2CCO[C@H]([C@@H]3CCCO3)C2)cc1[N+](=O)[O-] ZINC000091926935 193128101 /nfs/dbraw/zinc/12/81/01/193128101.db2.gz CAIAEWKMFBPYDZ-HOTGVXAUSA-N 1 2 306.362 2.283 50 5 DEBALO O=C(Nc1ccc(-n2cc[nH+]c2)nc1)c1ccccc1[N+](=O)[O-] ZINC000024900827 182394548 /nfs/dbraw/zinc/39/45/48/182394548.db2.gz PRXSMCDQRJZQMG-UHFFFAOYSA-N 1 2 309.285 2.428 50 5 DEBALO CN(C)c1[nH+]cccc1NC(=O)c1ccnc(Cl)c1[N+](=O)[O-] ZINC000071916484 401697556 /nfs/dbraw/zinc/69/75/56/401697556.db2.gz XJYNBUOCWLTEFD-UHFFFAOYSA-N 1 2 321.724 2.357 50 5 DEBALO O=C([C@H]1CCCn2cc[nH+]c21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000072310056 401708434 /nfs/dbraw/zinc/70/84/34/401708434.db2.gz INYCTRIZBRDNDI-ZDUSSCGKSA-N 1 2 312.329 2.258 50 5 DEBALO C[N@H+](CCN1CCOC1=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000097082859 402104831 /nfs/dbraw/zinc/10/48/31/402104831.db2.gz UEFANIFXTKULMT-UHFFFAOYSA-N 1 2 313.741 2.132 50 5 DEBALO C[N@@H+](CCN1CCOC1=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000097082859 402104835 /nfs/dbraw/zinc/10/48/35/402104835.db2.gz UEFANIFXTKULMT-UHFFFAOYSA-N 1 2 313.741 2.132 50 5 DEBALO O=C(NCCCn1cc[nH+]c1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000002084383 180909672 /nfs/dbraw/zinc/90/96/72/180909672.db2.gz CEEUISPZFGJEGA-UHFFFAOYSA-N 1 2 308.725 2.265 50 5 DEBALO O=[N+]([O-])c1ccc(NC(=S)NCCCn2cc[nH+]c2)cc1 ZINC000004819319 181155954 /nfs/dbraw/zinc/15/59/54/181155954.db2.gz AFIZBKGMQWUGEN-UHFFFAOYSA-N 1 2 305.363 2.168 50 5 DEBALO O=[N+]([O-])c1ccc(Cn2c3ccccc3[nH+]c2NCCO)cc1 ZINC000005184925 181214476 /nfs/dbraw/zinc/21/44/76/181214476.db2.gz RNIOXHTZAWNBQY-UHFFFAOYSA-N 1 2 312.329 2.397 50 5 DEBALO Cc1cccn2cc(CNc3ccc4ncc([N+](=O)[O-])n4n3)[nH+]c12 ZINC000091628489 193081866 /nfs/dbraw/zinc/08/18/66/193081866.db2.gz WZMVOJWOEHOYCT-UHFFFAOYSA-N 1 2 323.316 2.206 50 5 DEBALO CN(C(=O)Cn1cc[nH+]c1-c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000097108600 402108209 /nfs/dbraw/zinc/10/82/09/402108209.db2.gz OTBOCCUKXDEELY-UHFFFAOYSA-N 1 2 300.318 2.079 50 5 DEBALO O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc[nH+]cc2)c(Cl)c1 ZINC000072275624 191097169 /nfs/dbraw/zinc/09/71/69/191097169.db2.gz UZHQULNILXTQHI-UHFFFAOYSA-N 1 2 313.722 2.444 50 5 DEBALO O=C(NCCCn1cc[nH+]c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004663852 181133661 /nfs/dbraw/zinc/13/36/61/181133661.db2.gz MDPRKBDITYOVMD-UHFFFAOYSA-N 1 2 308.725 2.265 50 5 DEBALO Cn1cnc([N+](=O)[O-])c1NCCNc1ccc2ccccc2[nH+]1 ZINC000058162641 184082890 /nfs/dbraw/zinc/08/28/90/184082890.db2.gz WEKAJNPBBGJAAI-UHFFFAOYSA-N 1 2 312.333 2.401 50 5 DEBALO O=[N+]([O-])c1cccc(CN2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000000178673 401689101 /nfs/dbraw/zinc/68/91/01/401689101.db2.gz CFYGXJWDAJBFIU-UHFFFAOYSA-N 1 2 312.373 2.308 50 5 DEBALO O=[N+]([O-])c1cccc(C[NH+]2CCN(Cc3ccccn3)CC2)c1 ZINC000000178673 401689104 /nfs/dbraw/zinc/68/91/04/401689104.db2.gz CFYGXJWDAJBFIU-UHFFFAOYSA-N 1 2 312.373 2.308 50 5 DEBALO Cc1ccc(C[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)cc1[N+](=O)[O-] ZINC000245707630 533939837 /nfs/dbraw/zinc/93/98/37/533939837.db2.gz CAIAEWKMFBPYDZ-HZPDHXFCSA-N 1 2 306.362 2.283 50 5 DEBALO Cc1ccc(C[N@H+]2CCO[C@@H]([C@H]3CCCO3)C2)cc1[N+](=O)[O-] ZINC000245707630 533939843 /nfs/dbraw/zinc/93/98/43/533939843.db2.gz CAIAEWKMFBPYDZ-HZPDHXFCSA-N 1 2 306.362 2.283 50 5 DEBALO Cc1cc(N)nc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000022089241 182308147 /nfs/dbraw/zinc/30/81/47/182308147.db2.gz NODANNWOFJYIGV-UHFFFAOYSA-N 1 2 319.346 2.006 50 5 DEBALO Cc1nn(C)c(NCc2cn3ccc(C)cc3[nH+]2)c1[N+](=O)[O-] ZINC000058157312 256538080 /nfs/dbraw/zinc/53/80/80/256538080.db2.gz XBDJPPMRUNAKFG-UHFFFAOYSA-N 1 2 300.322 2.205 50 5 DEBALO Cc1cc(N)nc(SCC(=O)Nc2ccccc2[N+](=O)[O-])[nH+]1 ZINC000007048219 401735851 /nfs/dbraw/zinc/73/58/51/401735851.db2.gz CSHVZVOIDWMIOY-UHFFFAOYSA-N 1 2 319.346 2.006 50 5 DEBALO O=C(COc1cccc([N+](=O)[O-])c1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000242047808 402444647 /nfs/dbraw/zinc/44/46/47/402444647.db2.gz VQHKBEOAUYVNED-ZDUSSCGKSA-N 1 2 316.317 2.060 50 5 DEBALO Cc1c[nH+]ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000072281366 191101426 /nfs/dbraw/zinc/10/14/26/191101426.db2.gz UKENHOHGKIZPDJ-UHFFFAOYSA-N 1 2 307.331 2.407 50 5 DEBALO O=C(NCCCn1cc[nH+]c1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000004025093 181063533 /nfs/dbraw/zinc/06/35/33/181063533.db2.gz YBQZGWGYEJGVQU-UHFFFAOYSA-N 1 2 308.725 2.265 50 5 DEBALO Cc1cc(N2CCOCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000000432571 401698132 /nfs/dbraw/zinc/69/81/32/401698132.db2.gz KXCFXEMMEBLIAY-UHFFFAOYSA-N 1 2 300.318 2.197 50 5 DEBALO CC1(C)CC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000096009737 402046990 /nfs/dbraw/zinc/04/69/90/402046990.db2.gz NCMSBTUOBNIVOX-UHFFFAOYSA-N 1 2 312.391 2.100 50 5 DEBALO CC1(C)CC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000096009737 402046992 /nfs/dbraw/zinc/04/69/92/402046992.db2.gz NCMSBTUOBNIVOX-UHFFFAOYSA-N 1 2 312.391 2.100 50 5 DEBALO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000069532283 402229725 /nfs/dbraw/zinc/22/97/25/402229725.db2.gz YIMKBGLFIJUWFN-LBPRGKRZSA-N 1 2 321.377 2.046 50 5 DEBALO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000069532283 402229727 /nfs/dbraw/zinc/22/97/27/402229727.db2.gz YIMKBGLFIJUWFN-LBPRGKRZSA-N 1 2 321.377 2.046 50 5 DEBALO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000195567504 283061796 /nfs/dbraw/zinc/06/17/96/283061796.db2.gz SDBHADWQMPYXHW-LBPRGKRZSA-N 1 2 321.377 2.104 50 5 DEBALO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000195567504 283061801 /nfs/dbraw/zinc/06/18/01/283061801.db2.gz SDBHADWQMPYXHW-LBPRGKRZSA-N 1 2 321.377 2.104 50 5 DEBALO Cc1ccc(C[N@@H+]2CCOC3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC000091895067 193124145 /nfs/dbraw/zinc/12/41/45/193124145.db2.gz TTWBNGFJQWMSAX-UHFFFAOYSA-N 1 2 306.362 2.285 50 5 DEBALO Cc1ccc(C[N@H+]2CCOC3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC000091895067 193124146 /nfs/dbraw/zinc/12/41/46/193124146.db2.gz TTWBNGFJQWMSAX-UHFFFAOYSA-N 1 2 306.362 2.285 50 5 DEBALO O=C(NCc1ccnc(-n2cc[nH+]c2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000058218798 184089664 /nfs/dbraw/zinc/08/96/64/184089664.db2.gz ZEJRLAKMNWXASA-UHFFFAOYSA-N 1 2 323.312 2.106 50 5 DEBALO CNC(=O)[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000058311556 184104440 /nfs/dbraw/zinc/10/44/40/184104440.db2.gz SRWCQKJFWSHYBU-INIZCTEOSA-N 1 2 313.357 2.480 50 5 DEBALO Cc1cc(N2CCOCC2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000058407624 134795692 /nfs/dbraw/zinc/79/56/92/134795692.db2.gz GXTQPFVSIDTKGD-UHFFFAOYSA-N 1 2 300.318 2.197 50 5 DEBALO Cc1nc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)oc1C ZINC000072665145 191211213 /nfs/dbraw/zinc/21/12/13/191211213.db2.gz ZRXRZGXOQPKQFR-GFCCVEGCSA-N 1 2 317.349 2.281 50 5 DEBALO Cc1nc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)oc1C ZINC000072665145 191211216 /nfs/dbraw/zinc/21/12/16/191211216.db2.gz ZRXRZGXOQPKQFR-GFCCVEGCSA-N 1 2 317.349 2.281 50 5 DEBALO CN1c2ccccc2[N@@H+](CC(=O)c2ccc([N+](=O)[O-])cc2)C1=N ZINC000019855183 182157301 /nfs/dbraw/zinc/15/73/01/182157301.db2.gz LXUOMJASXIYILI-UHFFFAOYSA-N 1 2 310.313 2.250 50 5 DEBALO CN1c2ccccc2[N@H+](CC(=O)c2ccc([N+](=O)[O-])cc2)C1=N ZINC000019855183 182157302 /nfs/dbraw/zinc/15/73/02/182157302.db2.gz LXUOMJASXIYILI-UHFFFAOYSA-N 1 2 310.313 2.250 50 5 DEBALO O=[N+]([O-])c1ccc(OCC[NH+]2CCOCC2)c(C(F)(F)F)c1 ZINC000040450017 183068285 /nfs/dbraw/zinc/06/82/85/183068285.db2.gz PDOWEJZBJZMEDA-UHFFFAOYSA-N 1 2 320.267 2.325 50 5 DEBALO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC(=O)Nc1ccon1 ZINC000014255523 401810707 /nfs/dbraw/zinc/81/07/07/401810707.db2.gz FHQXATGJXMHQDL-JTQLQIEISA-N 1 2 304.306 2.214 50 5 DEBALO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC(=O)Nc1ccon1 ZINC000014255523 401810710 /nfs/dbraw/zinc/81/07/10/401810710.db2.gz FHQXATGJXMHQDL-JTQLQIEISA-N 1 2 304.306 2.214 50 5 DEBALO COC(=O)[C@H](Cc1c[nH+]c[nH]1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000075260509 539356195 /nfs/dbraw/zinc/35/61/95/539356195.db2.gz OYDQVDGQYQHQCZ-NSHDSACASA-N 1 2 324.724 2.168 50 5 DEBALO COC(=O)[C@H](Cc1c[nH]c[nH+]1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000075260509 539356202 /nfs/dbraw/zinc/35/62/02/539356202.db2.gz OYDQVDGQYQHQCZ-NSHDSACASA-N 1 2 324.724 2.168 50 5 DEBALO Cc1cc([N+](=O)[O-])cnc1N1CC[NH+](Cc2cncs2)CC1 ZINC000585132819 357335888 /nfs/dbraw/zinc/33/58/88/357335888.db2.gz XTSSPNBWFVFJTP-UHFFFAOYSA-N 1 2 319.390 2.077 50 5 DEBALO CNC(=O)[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000058311558 184104233 /nfs/dbraw/zinc/10/42/33/184104233.db2.gz SRWCQKJFWSHYBU-MRXNPFEDSA-N 1 2 313.357 2.480 50 5 DEBALO O=C(CN1c2ccccc2N2CC[NH+]=C12)c1ccc([N+](=O)[O-])cc1 ZINC000100450032 402141213 /nfs/dbraw/zinc/14/12/13/402141213.db2.gz OBCNXSRJTXSESI-UHFFFAOYSA-N 1 2 322.324 2.474 50 5 DEBALO Cc1ccc(S(=O)(=O)Nc2cc[nH+]c(C)c2)c([N+](=O)[O-])c1 ZINC000079029279 185147444 /nfs/dbraw/zinc/14/74/44/185147444.db2.gz DTVFDFLGYNUJGF-UHFFFAOYSA-N 1 2 307.331 2.407 50 5 DEBALO COc1c(C)c[nH+]c(CN(C)c2c([N+](=O)[O-])c(C)nn2C)c1C ZINC000079353771 185166376 /nfs/dbraw/zinc/16/63/76/185166376.db2.gz FALKVVHKDIUDCX-UHFFFAOYSA-N 1 2 319.365 2.294 50 5 DEBALO Cc1nn(C)c(NCCc2cn3cccc(C)c3[nH+]2)c1[N+](=O)[O-] ZINC000080675782 192181406 /nfs/dbraw/zinc/18/14/06/192181406.db2.gz ZNNJVHORKXLRNK-UHFFFAOYSA-N 1 2 314.349 2.247 50 5 DEBALO C[N@@H+]1CCc2nc(NC(=O)c3cccc([N+](=O)[O-])c3)sc2C1 ZINC000022698876 182331371 /nfs/dbraw/zinc/33/13/71/182331371.db2.gz ASIPXDVOSMQMDJ-UHFFFAOYSA-N 1 2 318.358 2.292 50 5 DEBALO C[N@H+]1CCc2nc(NC(=O)c3cccc([N+](=O)[O-])c3)sc2C1 ZINC000022698876 182331373 /nfs/dbraw/zinc/33/13/73/182331373.db2.gz ASIPXDVOSMQMDJ-UHFFFAOYSA-N 1 2 318.358 2.292 50 5 DEBALO O=[N+]([O-])c1ccccc1CN1CC[NH+](Cc2cccnc2)CC1 ZINC000000178648 401689148 /nfs/dbraw/zinc/68/91/48/401689148.db2.gz RVUWSAZNEWKLNE-UHFFFAOYSA-N 1 2 312.373 2.308 50 5 DEBALO O=[N+]([O-])c1ccccc1C[NH+]1CCN(Cc2cccnc2)CC1 ZINC000000178648 401689150 /nfs/dbraw/zinc/68/91/50/401689150.db2.gz RVUWSAZNEWKLNE-UHFFFAOYSA-N 1 2 312.373 2.308 50 5 DEBALO CC[N@H+](CC(=O)NCc1ccco1)Cc1cccc([N+](=O)[O-])c1 ZINC000030967257 401867297 /nfs/dbraw/zinc/86/72/97/401867297.db2.gz TTZZXZDSPPNNHR-UHFFFAOYSA-N 1 2 317.345 2.326 50 5 DEBALO CC[N@@H+](CC(=O)NCc1ccco1)Cc1cccc([N+](=O)[O-])c1 ZINC000030967257 401867298 /nfs/dbraw/zinc/86/72/98/401867298.db2.gz TTZZXZDSPPNNHR-UHFFFAOYSA-N 1 2 317.345 2.326 50 5 DEBALO C[N@H+](Cc1cc(C(N)=O)cs1)Cc1ccccc1[N+](=O)[O-] ZINC000095982611 402041830 /nfs/dbraw/zinc/04/18/30/402041830.db2.gz PLHGGOMCVWLYAP-UHFFFAOYSA-N 1 2 305.359 2.387 50 5 DEBALO C[N@@H+](Cc1cc(C(N)=O)cs1)Cc1ccccc1[N+](=O)[O-] ZINC000095982611 402041832 /nfs/dbraw/zinc/04/18/32/402041832.db2.gz PLHGGOMCVWLYAP-UHFFFAOYSA-N 1 2 305.359 2.387 50 5 DEBALO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cscn3)C2)nc1 ZINC000096443416 402088088 /nfs/dbraw/zinc/08/80/88/402088088.db2.gz MXLWDZMRYLYBMC-JTQLQIEISA-N 1 2 305.363 2.133 50 5 DEBALO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cscn3)C2)nc1 ZINC000096443416 402088090 /nfs/dbraw/zinc/08/80/90/402088090.db2.gz MXLWDZMRYLYBMC-JTQLQIEISA-N 1 2 305.363 2.133 50 5 DEBALO O=C(NCc1ccco1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032477216 401879160 /nfs/dbraw/zinc/87/91/60/401879160.db2.gz KIIBQFZWNZWYMT-UHFFFAOYSA-N 1 2 312.285 2.304 50 5 DEBALO C[C@@H]1C[NH+]=C(N2CCN(c3ccccc3[N+](=O)[O-])CC2)S1 ZINC000084715290 288315299 /nfs/dbraw/zinc/31/52/99/288315299.db2.gz LMIIOBNHYFJLCV-LLVKDONJSA-N 1 2 306.391 2.208 50 5 DEBALO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1[nH+]ccn1C ZINC000079063479 185151812 /nfs/dbraw/zinc/15/18/12/185151812.db2.gz ZZMQQWXGKVHGHB-UHFFFAOYSA-N 1 2 303.322 2.267 50 5 DEBALO Cc1c(C[NH+]2CCN(c3ncccn3)CC2)cccc1[N+](=O)[O-] ZINC000051205570 354381196 /nfs/dbraw/zinc/38/11/96/354381196.db2.gz WVZJGERFSKMFIO-UHFFFAOYSA-N 1 2 313.361 2.015 50 5 DEBALO Cc1nn(C)c(NCc2ccccc2-n2cc[nH+]c2)c1[N+](=O)[O-] ZINC000091506140 193066005 /nfs/dbraw/zinc/06/60/05/193066005.db2.gz MZTDDVDZCVOVHF-UHFFFAOYSA-N 1 2 312.333 2.435 50 5 DEBALO O=[N+]([O-])c1ccc(C[NH+]2CCN(c3nccs3)CC2)cc1 ZINC000025933023 401837931 /nfs/dbraw/zinc/83/79/31/401837931.db2.gz VFZUGIDSASRHPF-UHFFFAOYSA-N 1 2 304.375 2.374 50 5 DEBALO CNc1ccc(Nc2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])c[nH+]1 ZINC000252491819 402655811 /nfs/dbraw/zinc/65/58/11/402655811.db2.gz LVFLQBKRBSXHRL-UHFFFAOYSA-N 1 2 317.305 2.265 50 5 DEBALO Cc1ccnc(Sc2nnc(C[NH+]3CCCC3)o2)c1[N+](=O)[O-] ZINC000095397621 185353327 /nfs/dbraw/zinc/35/33/27/185353327.db2.gz BQVLLZDIAOWRLE-UHFFFAOYSA-N 1 2 321.362 2.428 50 5 DEBALO Cc1cc(Sc2nnc(C[NH+]3CCCC3)o2)ncc1[N+](=O)[O-] ZINC000074726408 355045379 /nfs/dbraw/zinc/04/53/79/355045379.db2.gz GDVZSMCYHIEMBY-UHFFFAOYSA-N 1 2 321.362 2.428 50 5 DEBALO C[C@H](CS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000000250634 401692480 /nfs/dbraw/zinc/69/24/80/401692480.db2.gz JCWGCLZJGLSHAK-GFCCVEGCSA-N 1 2 312.391 2.243 50 5 DEBALO O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(-n2cc[nH+]c2)nc1 ZINC000024484631 401829868 /nfs/dbraw/zinc/82/98/68/401829868.db2.gz XBAHMMUITDJHNI-UHFFFAOYSA-N 1 2 309.285 2.428 50 5 DEBALO Cc1nc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)oc1C ZINC000072665144 191211831 /nfs/dbraw/zinc/21/18/31/191211831.db2.gz ZRXRZGXOQPKQFR-LBPRGKRZSA-N 1 2 317.349 2.281 50 5 DEBALO Cc1nc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)oc1C ZINC000072665144 191211834 /nfs/dbraw/zinc/21/18/34/191211834.db2.gz ZRXRZGXOQPKQFR-LBPRGKRZSA-N 1 2 317.349 2.281 50 5 DEBALO Cc1ccc2[nH+]c(CNC(=O)Cc3ccc([N+](=O)[O-])cc3)cn2c1 ZINC000057267821 184030778 /nfs/dbraw/zinc/03/07/78/184030778.db2.gz PWFRSGCSCDOIOI-UHFFFAOYSA-N 1 2 324.340 2.410 50 5 DEBALO CCc1nnc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1C ZINC000095985980 402042692 /nfs/dbraw/zinc/04/26/92/402042692.db2.gz YGXXKLYSHUSTOU-LLVKDONJSA-N 1 2 303.366 2.445 50 5 DEBALO Cc1occc1C[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000055054112 402074611 /nfs/dbraw/zinc/07/46/11/402074611.db2.gz WWFBZONNFBBCKD-UHFFFAOYSA-N 1 2 303.318 2.227 50 5 DEBALO Cc1occc1C[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000055054112 402074614 /nfs/dbraw/zinc/07/46/14/402074614.db2.gz WWFBZONNFBBCKD-UHFFFAOYSA-N 1 2 303.318 2.227 50 5 DEBALO