smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c([C@@H](C)[NH2+]CCC[NH2+]C2CC2)cccc1[N+](=O)[O-] ZINC000423529359 533944083 /nfs/dbraw/zinc/94/40/83/533944083.db2.gz PVBNMXGMLZMMOT-GFCCVEGCSA-N 2 1 277.368 2.696 20 5 CFBDMP CC(C)c1ccc(C[NH2+]C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000414785505 528100071 /nfs/dbraw/zinc/10/00/71/528100071.db2.gz JEUGPXJEVCUGEN-UHFFFAOYSA-N 2 1 277.368 2.560 20 5 CFBDMP CCC[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000423283829 528240726 /nfs/dbraw/zinc/24/07/26/528240726.db2.gz WJCLEXUBNHUYJE-LSDHHAIUSA-N 2 1 277.368 2.763 20 5 CFBDMP CC[NH2+]CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414847520 528332983 /nfs/dbraw/zinc/33/29/83/528332983.db2.gz OWAVEXIBXCIJES-UKRRQHHQSA-N 2 1 291.395 2.505 20 5 CFBDMP CCC[C@@H]([NH2+]CC(C)(C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000423281236 529004894 /nfs/dbraw/zinc/00/48/94/529004894.db2.gz BACOWJSRCALURC-CYBMUJFWSA-N 2 1 265.357 2.763 20 5 CFBDMP C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C1CCC([NH3+])CC1 ZINC000093633734 619041732 /nfs/dbraw/zinc/04/17/32/619041732.db2.gz SGWMQVGDCIGHJE-UHFFFAOYSA-N 2 1 297.786 2.950 20 5 CFBDMP C[C@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccccc1[N+](=O)[O-] ZINC000902431175 621077067 /nfs/dbraw/zinc/07/70/67/621077067.db2.gz SCVYAFLXINTSSC-IUODEOHRSA-N 2 1 289.379 2.573 20 5 CFBDMP C[C@H](C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC000902432730 621078263 /nfs/dbraw/zinc/07/82/63/621078263.db2.gz XAMDMSRMMSPFIP-VNHYZAJKSA-N 2 1 291.395 2.819 20 5 CFBDMP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC000902450489 621091306 /nfs/dbraw/zinc/09/13/06/621091306.db2.gz SPCASIOEQQOZPA-IUODEOHRSA-N 2 1 291.395 2.504 20 5 CFBDMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000903988025 621499682 /nfs/dbraw/zinc/49/96/82/621499682.db2.gz MSBCVIYAKMJYLS-DYEKYZERSA-N 2 1 277.368 2.776 20 5 CFBDMP C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[C@@H]1C[NH3+] ZINC000904411995 621593374 /nfs/dbraw/zinc/59/33/74/621593374.db2.gz YUXCITHDBUVPSA-CMPLNLGQSA-N 2 1 297.786 2.665 20 5 CFBDMP Cc1c(CNCCC[N@H+](C)C(C)C)cccc1[N+](=O)[O-] ZINC000226390116 623072081 /nfs/dbraw/zinc/07/20/81/623072081.db2.gz HWEBCCUTIBYBJS-UHFFFAOYSA-N 2 1 279.384 2.723 20 5 CFBDMP Cc1c(C[NH2+]CCC[N@@H+](C)C(C)C)cccc1[N+](=O)[O-] ZINC000226390116 623072089 /nfs/dbraw/zinc/07/20/89/623072089.db2.gz HWEBCCUTIBYBJS-UHFFFAOYSA-N 2 1 279.384 2.723 20 5 CFBDMP Cc1c(C[NH2+]CCC[N@H+](C)C(C)C)cccc1[N+](=O)[O-] ZINC000226390116 623072095 /nfs/dbraw/zinc/07/20/95/623072095.db2.gz HWEBCCUTIBYBJS-UHFFFAOYSA-N 2 1 279.384 2.723 20 5 CFBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923497916 626477180 /nfs/dbraw/zinc/47/71/80/626477180.db2.gz NEURJZRHJWDHIF-UPJWGTAASA-N 2 1 277.368 2.573 20 5 CFBDMP C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC[C@H]1C[NH3+] ZINC000923499203 626477481 /nfs/dbraw/zinc/47/74/81/626477481.db2.gz RHHBADVGRISYGJ-QWRGUYRKSA-N 2 1 297.786 2.665 20 5 CFBDMP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000841056096 631323523 /nfs/dbraw/zinc/32/35/23/631323523.db2.gz XQMWLBMGOBTIBU-WDEREUQCSA-N 2 1 283.759 2.608 20 5 CFBDMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1OCC[N+](C)(C)C ZINC001224772037 775270209 /nfs/dbraw/zinc/27/02/09/775270209.db2.gz WIAAUBQJHYNSRQ-SJLPKXTDSA-N 2 1 291.459 2.620 20 5 CFBDMP C[N+](C)(C)CCO[C@@H]1CC[N@@H+](Cc2ccccc2Cl)C1 ZINC001224776493 775271579 /nfs/dbraw/zinc/27/15/79/775271579.db2.gz WKNUUUFMJIYPAS-OAHLLOKOSA-N 2 1 297.850 2.637 20 5 CFBDMP C[N@@H+](CCCCCC[NH3+])Cc1cccc([N+](=O)[O-])c1 ZINC000710819397 781340808 /nfs/dbraw/zinc/34/08/08/781340808.db2.gz QBKKAEWHNWCJNM-UHFFFAOYSA-N 2 1 265.357 2.546 20 5 CFBDMP Cc1c([C@H](C)[NH2+]CC2([NH3+])CCCC2)cccc1[N+](=O)[O-] ZINC000596647728 349967571 /nfs/dbraw/zinc/96/75/71/349967571.db2.gz AFLABIBSXHROED-LBPRGKRZSA-N 2 1 277.368 2.825 20 5 CFBDMP C[C@@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H]1CC[NH3+] ZINC000404411543 348591284 /nfs/dbraw/zinc/59/12/84/348591284.db2.gz XWRFMUQMCUNIAL-CZUORRHYSA-N 2 1 291.395 2.587 20 5 CFBDMP C[N@H+]1CC[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000598962105 350349783 /nfs/dbraw/zinc/34/97/83/350349783.db2.gz RXIDHZPZHALECU-CQSZACIVSA-N 2 1 291.395 2.600 20 5 CFBDMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000599071825 350370510 /nfs/dbraw/zinc/37/05/10/350370510.db2.gz UKTBSNGFTDWCMY-KGLIPLIRSA-N 2 1 291.395 2.977 20 5 CFBDMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000599071825 350370515 /nfs/dbraw/zinc/37/05/15/350370515.db2.gz UKTBSNGFTDWCMY-KGLIPLIRSA-N 2 1 291.395 2.977 20 5 CFBDMP C[N@H+]1CCC[C@H]2CN(Cc3csc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000158644845 188387464 /nfs/dbraw/zinc/38/74/64/188387464.db2.gz GXMUOCHMOKOEFY-STQMWFEESA-N 2 1 295.408 2.572 20 5 CFBDMP Cc1c([C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)cccc1[N+](=O)[O-] ZINC000423272260 238330616 /nfs/dbraw/zinc/33/06/16/238330616.db2.gz JTOMMWNOKNCPJU-WCQYABFASA-N 2 1 265.357 2.537 20 5 CFBDMP Cc1c([C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C)cccc1[N+](=O)[O-] ZINC000423272261 238330698 /nfs/dbraw/zinc/33/06/98/238330698.db2.gz JTOMMWNOKNCPJU-YPMHNXCESA-N 2 1 265.357 2.537 20 5 CFBDMP CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1C)[C@H]1CCC[NH2+]CC1 ZINC000435394665 240311866 /nfs/dbraw/zinc/31/18/66/240311866.db2.gz ONFCHPQFHMKNDP-HNNXBMFYSA-N 2 1 291.395 2.867 20 5 CFBDMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000037644208 372682203 /nfs/dbraw/zinc/68/22/03/372682203.db2.gz KKBHGOHJJUPVDV-STQMWFEESA-N 2 1 277.368 2.587 20 5 CFBDMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000037649076 372683692 /nfs/dbraw/zinc/68/36/92/372683692.db2.gz RLMAZQJYXUPRKH-CHWSQXEVSA-N 2 1 289.379 2.730 20 5 CFBDMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000091957356 375073421 /nfs/dbraw/zinc/07/34/21/375073421.db2.gz WWAYETPSKNTSPB-AEGPPILISA-N 2 1 289.379 2.872 20 5 CFBDMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000091957356 375073428 /nfs/dbraw/zinc/07/34/28/375073428.db2.gz WWAYETPSKNTSPB-AEGPPILISA-N 2 1 289.379 2.872 20 5 CFBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000104098215 375767044 /nfs/dbraw/zinc/76/70/44/375767044.db2.gz ZMCVCYUBEFTMMX-ZIAGYGMSSA-N 2 1 291.395 2.929 20 5 CFBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000104098215 375767049 /nfs/dbraw/zinc/76/70/49/375767049.db2.gz ZMCVCYUBEFTMMX-ZIAGYGMSSA-N 2 1 291.395 2.929 20 5 CFBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000104098215 375767053 /nfs/dbraw/zinc/76/70/53/375767053.db2.gz ZMCVCYUBEFTMMX-ZIAGYGMSSA-N 2 1 291.395 2.929 20 5 CFBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000104098215 375767057 /nfs/dbraw/zinc/76/70/57/375767057.db2.gz ZMCVCYUBEFTMMX-ZIAGYGMSSA-N 2 1 291.395 2.929 20 5 CFBDMP CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1C)C1CC[NH2+]CC1 ZINC000347166717 380979826 /nfs/dbraw/zinc/97/98/26/380979826.db2.gz KWWZFOOACXPCAH-UHFFFAOYSA-N 2 1 291.395 2.867 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000420290285 382344153 /nfs/dbraw/zinc/34/41/53/382344153.db2.gz LTIODRIFJPECIV-SLEUVZQESA-N 2 1 277.368 2.633 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000420290285 382344158 /nfs/dbraw/zinc/34/41/58/382344158.db2.gz LTIODRIFJPECIV-SLEUVZQESA-N 2 1 277.368 2.633 20 5 CFBDMP CCC[C@@H]([NH2+]C[C@@H]([NH3+])CC)c1cccc([N+](=O)[O-])c1 ZINC000423469291 383107057 /nfs/dbraw/zinc/10/70/57/383107057.db2.gz OTWMWXDZKMWDBI-GXTWGEPZSA-N 2 1 265.357 2.763 20 5 CFBDMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000248146982 383214563 /nfs/dbraw/zinc/21/45/63/383214563.db2.gz QIBUIMJEOOLHOI-UKRRQHHQSA-N 2 1 289.379 2.511 20 5 CFBDMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000248146982 383214567 /nfs/dbraw/zinc/21/45/67/383214567.db2.gz QIBUIMJEOOLHOI-UKRRQHHQSA-N 2 1 289.379 2.511 20 5 CFBDMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000248146982 383214572 /nfs/dbraw/zinc/21/45/72/383214572.db2.gz QIBUIMJEOOLHOI-UKRRQHHQSA-N 2 1 289.379 2.511 20 5 CFBDMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000248146982 383214577 /nfs/dbraw/zinc/21/45/77/383214577.db2.gz QIBUIMJEOOLHOI-UKRRQHHQSA-N 2 1 289.379 2.511 20 5 CFBDMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000249376485 383342494 /nfs/dbraw/zinc/34/24/94/383342494.db2.gz KKBHGOHJJUPVDV-OLZOCXBDSA-N 2 1 277.368 2.587 20 5 CFBDMP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000567889921 383326815 /nfs/dbraw/zinc/32/68/15/383326815.db2.gz KCPYFXJHJIZHQS-LBPRGKRZSA-N 2 1 265.357 2.634 20 5 CFBDMP CC[NH2+]CC1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000430553659 383594331 /nfs/dbraw/zinc/59/43/31/383594331.db2.gz DPRMWVYPAGRRFH-UHFFFAOYSA-N 2 1 295.358 2.555 20 5 CFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277398377 384289691 /nfs/dbraw/zinc/28/96/91/384289691.db2.gz HLPJCPCYPXDEFJ-HNNXBMFYSA-N 2 1 291.395 2.819 20 5 CFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277398377 384289697 /nfs/dbraw/zinc/28/96/97/384289697.db2.gz HLPJCPCYPXDEFJ-HNNXBMFYSA-N 2 1 291.395 2.819 20 5 CFBDMP O=[N+]([O-])c1ccc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000220362919 285112053 /nfs/dbraw/zinc/11/20/53/285112053.db2.gz SRBARUBCEIRTCB-AWEZNQCLSA-N 2 1 289.379 2.559 20 5 CFBDMP O=[N+]([O-])c1ccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000220362919 285112054 /nfs/dbraw/zinc/11/20/54/285112054.db2.gz SRBARUBCEIRTCB-AWEZNQCLSA-N 2 1 289.379 2.559 20 5 CFBDMP C[NH+](C)CC1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000351831811 394007656 /nfs/dbraw/zinc/00/76/56/394007656.db2.gz SRLHWIKTSAIBTJ-UHFFFAOYSA-N 2 1 295.358 2.508 20 5 CFBDMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284031386 394134156 /nfs/dbraw/zinc/13/41/56/394134156.db2.gz JICVUIPJTLXQEJ-LBPRGKRZSA-N 2 1 294.399 2.558 20 5 CFBDMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284031386 394134160 /nfs/dbraw/zinc/13/41/60/394134160.db2.gz JICVUIPJTLXQEJ-LBPRGKRZSA-N 2 1 294.399 2.558 20 5 CFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422560816 394252816 /nfs/dbraw/zinc/25/28/16/394252816.db2.gz HRQFFFYSXGTTAC-ZLDLUXBVSA-N 2 1 291.395 2.708 20 5 CFBDMP Cc1c([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000158175742 394355081 /nfs/dbraw/zinc/35/50/81/394355081.db2.gz GCAJITAUAGNHOW-KGLIPLIRSA-N 2 1 291.395 2.896 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000420306695 292296375 /nfs/dbraw/zinc/29/63/75/292296375.db2.gz AUEBHYAGZOJQOJ-BFHYXJOUSA-N 2 1 289.379 2.506 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000420306695 292296377 /nfs/dbraw/zinc/29/63/77/292296377.db2.gz AUEBHYAGZOJQOJ-BFHYXJOUSA-N 2 1 289.379 2.506 20 5 CFBDMP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000049553820 287047826 /nfs/dbraw/zinc/04/78/26/287047826.db2.gz ZFKNFRKANAZMAK-NWDGAFQWSA-N 2 1 265.357 2.586 20 5 CFBDMP CCCC[NH+]1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000037149799 172986106 /nfs/dbraw/zinc/98/61/06/172986106.db2.gz RDXRUMCNYLLWRN-UHFFFAOYSA-N 2 1 291.395 2.949 20 5 CFBDMP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000044534304 175196982 /nfs/dbraw/zinc/19/69/82/175196982.db2.gz UKAZFNOYKOWBAQ-ZIAGYGMSSA-N 2 1 291.395 2.896 20 5 CFBDMP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000044534304 175196984 /nfs/dbraw/zinc/19/69/84/175196984.db2.gz UKAZFNOYKOWBAQ-ZIAGYGMSSA-N 2 1 291.395 2.896 20 5 CFBDMP Cc1c(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000397270842 270316657 /nfs/dbraw/zinc/31/66/57/270316657.db2.gz MUNGQJZXXXAOIX-HUBLWGQQSA-N 2 1 291.395 2.708 20 5 CFBDMP O=[N+]([O-])c1ccccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420413382 275039860 /nfs/dbraw/zinc/03/98/60/275039860.db2.gz ZXIIDDWCNYCWPT-UKRRQHHQSA-N 2 1 289.379 2.559 20 5 CFBDMP O=[N+]([O-])c1ccccc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420413382 275039861 /nfs/dbraw/zinc/03/98/61/275039861.db2.gz ZXIIDDWCNYCWPT-UKRRQHHQSA-N 2 1 289.379 2.559 20 5 CFBDMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000248199682 277084244 /nfs/dbraw/zinc/08/42/44/277084244.db2.gz YGBGHMNDVISGNQ-GOEBONIOSA-N 2 1 289.379 2.511 20 5 CFBDMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000248199682 277084246 /nfs/dbraw/zinc/08/42/46/277084246.db2.gz YGBGHMNDVISGNQ-GOEBONIOSA-N 2 1 289.379 2.511 20 5 CFBDMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000248199682 277084248 /nfs/dbraw/zinc/08/42/48/277084248.db2.gz YGBGHMNDVISGNQ-GOEBONIOSA-N 2 1 289.379 2.511 20 5 CFBDMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000248199682 277084249 /nfs/dbraw/zinc/08/42/49/277084249.db2.gz YGBGHMNDVISGNQ-GOEBONIOSA-N 2 1 289.379 2.511 20 5 CFBDMP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000423329587 278352519 /nfs/dbraw/zinc/35/25/19/278352519.db2.gz MXBJVZHUIIZKJQ-DOMZBBRYSA-N 2 1 277.368 2.635 20 5 CFBDMP CC(C)C[NH+]1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000075760912 278869642 /nfs/dbraw/zinc/86/96/42/278869642.db2.gz RKVXXTRTTGUKTM-UHFFFAOYSA-N 2 1 291.395 2.805 20 5 CFBDMP CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]CC1 ZINC000435392539 281235106 /nfs/dbraw/zinc/23/51/06/281235106.db2.gz WZTZYSOKQKOWLS-AWEZNQCLSA-N 2 1 277.368 2.559 20 5 CFBDMP [NH3+]CCC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423196260 534616492 /nfs/dbraw/zinc/61/64/92/534616492.db2.gz UZELPGSMTGKIJN-MRXNPFEDSA-N 2 1 285.347 2.623 20 5 CFBDMP Cc1c(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000300125070 525727538 /nfs/dbraw/zinc/72/75/38/525727538.db2.gz IPXFBSXSZPMZRJ-LALPHHSUSA-N 2 1 291.395 2.722 20 5 CFBDMP Cc1c(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000300125070 525727531 /nfs/dbraw/zinc/72/75/31/525727531.db2.gz IPXFBSXSZPMZRJ-LALPHHSUSA-N 2 1 291.395 2.722 20 5 CFBDMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000414835154 528310235 /nfs/dbraw/zinc/31/02/35/528310235.db2.gz HEGMSVMQNCDWOP-HIFRSBDPSA-N 2 1 293.411 2.879 20 5 CFBDMP C[C@@H](CC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000895297780 618516661 /nfs/dbraw/zinc/51/66/61/618516661.db2.gz PDHZKPNYNNJQEG-WOLRVDTOSA-N 2 1 277.368 2.538 20 5 CFBDMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841072391 620927330 /nfs/dbraw/zinc/92/73/30/620927330.db2.gz JHVJTTYZDNLRET-ZDUSSCGKSA-N 2 1 297.786 2.726 20 5 CFBDMP C[C@@H](C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC000902432727 621078164 /nfs/dbraw/zinc/07/81/64/621078164.db2.gz XAMDMSRMMSPFIP-KCQAQPDRSA-N 2 1 291.395 2.819 20 5 CFBDMP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000903988027 621499447 /nfs/dbraw/zinc/49/94/47/621499447.db2.gz MSBCVIYAKMJYLS-OBJOEFQTSA-N 2 1 277.368 2.776 20 5 CFBDMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000843113624 631839029 /nfs/dbraw/zinc/83/90/29/631839029.db2.gz ZOKOGERWIZTVNH-LLVKDONJSA-N 2 1 297.786 2.809 20 5 CFBDMP C[N@@H+](CCCCCC[NH3+])Cc1cc(F)ccc1[N+](=O)[O-] ZINC000710693871 781335581 /nfs/dbraw/zinc/33/55/81/781335581.db2.gz NJHIRRUPGMVAEK-UHFFFAOYSA-N 2 1 283.347 2.685 20 5 CFBDMP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000591582964 349032619 /nfs/dbraw/zinc/03/26/19/349032619.db2.gz VUZOYELROQJBSY-JSGCOSHPSA-N 2 1 289.379 2.920 20 5 CFBDMP CC(C)C[N@H+](C)CCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000593645357 349303076 /nfs/dbraw/zinc/30/30/76/349303076.db2.gz HWUABQXFJRWMOH-UHFFFAOYSA-N 2 1 279.384 2.662 20 5 CFBDMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000593645357 349303079 /nfs/dbraw/zinc/30/30/79/349303079.db2.gz HWUABQXFJRWMOH-UHFFFAOYSA-N 2 1 279.384 2.662 20 5 CFBDMP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000414910965 233397563 /nfs/dbraw/zinc/39/75/63/233397563.db2.gz CXNQQBORXFQLKA-UMVBOHGHSA-N 2 1 291.395 2.504 20 5 CFBDMP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000600680012 350596481 /nfs/dbraw/zinc/59/64/81/350596481.db2.gz QYWZQZICECNODV-IPYPFGDCSA-N 2 1 291.395 2.646 20 5 CFBDMP C[C@H]1C[C@H]([NH+](C)CCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000123737041 187106490 /nfs/dbraw/zinc/10/64/90/187106490.db2.gz DRXJWZCTNPVZAK-XJKSGUPXSA-N 2 1 291.395 2.552 20 5 CFBDMP C[C@H]1C[C@H]([NH+](C)CCc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000123737041 187106491 /nfs/dbraw/zinc/10/64/91/187106491.db2.gz DRXJWZCTNPVZAK-XJKSGUPXSA-N 2 1 291.395 2.552 20 5 CFBDMP C[C@H]1C[C@H]([N@H+](C)CCc2ccc([N+](=O)[O-])cc2)CC[NH+]1C ZINC000123737041 187106492 /nfs/dbraw/zinc/10/64/92/187106492.db2.gz DRXJWZCTNPVZAK-XJKSGUPXSA-N 2 1 291.395 2.552 20 5 CFBDMP C[C@H]1C[C@H]([N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)CC[NH+]1C ZINC000123737041 187106493 /nfs/dbraw/zinc/10/64/93/187106493.db2.gz DRXJWZCTNPVZAK-XJKSGUPXSA-N 2 1 291.395 2.552 20 5 CFBDMP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423327603 238381699 /nfs/dbraw/zinc/38/16/99/238381699.db2.gz LLWJAZBOFMLEJO-SWLSCSKDSA-N 2 1 277.368 2.635 20 5 CFBDMP Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459729069 245286755 /nfs/dbraw/zinc/28/67/55/245286755.db2.gz DFYQDORMSYZQNV-CQSZACIVSA-N 2 1 291.395 2.725 20 5 CFBDMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000037648975 372685083 /nfs/dbraw/zinc/68/50/83/372685083.db2.gz WGFMZHYTQZWONB-QWHCGFSZSA-N 2 1 289.379 2.730 20 5 CFBDMP CCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000037653862 372687311 /nfs/dbraw/zinc/68/73/11/372687311.db2.gz RJLLJODBMBXJAI-UHFFFAOYSA-N 2 1 277.368 2.559 20 5 CFBDMP C[NH2+]CC1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000063166261 373788279 /nfs/dbraw/zinc/78/82/79/373788279.db2.gz XTJBDRUHJQRHSD-UHFFFAOYSA-N 2 1 297.786 2.680 20 5 CFBDMP Cc1c([C@H](C)[NH2+]C2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000161473304 378849661 /nfs/dbraw/zinc/84/96/61/378849661.db2.gz KLCFACVADFACFW-LBPRGKRZSA-N 2 1 277.368 2.648 20 5 CFBDMP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000163488936 378976888 /nfs/dbraw/zinc/97/68/88/378976888.db2.gz SEYIPTPMYNOWLA-AGIUHOORSA-N 2 1 277.368 2.573 20 5 CFBDMP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000163488936 378976892 /nfs/dbraw/zinc/97/68/92/378976892.db2.gz SEYIPTPMYNOWLA-AGIUHOORSA-N 2 1 277.368 2.573 20 5 CFBDMP CCC[N@H+](CCC[NH+](C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000290331465 381385917 /nfs/dbraw/zinc/38/59/17/381385917.db2.gz DSQOINWXLFBAEL-UHFFFAOYSA-N 2 1 279.384 2.759 20 5 CFBDMP CCC[N@@H+](CCC[NH+](C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000290331465 381385922 /nfs/dbraw/zinc/38/59/22/381385922.db2.gz DSQOINWXLFBAEL-UHFFFAOYSA-N 2 1 279.384 2.759 20 5 CFBDMP C[C@H](C[NH3+])[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414923916 381614259 /nfs/dbraw/zinc/61/42/59/381614259.db2.gz FKCAYXVTNLAMDT-SNVBAGLBSA-N 2 1 291.376 2.760 20 5 CFBDMP CC(C)(C)[C@H](C[NH3+])[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000415051427 381736743 /nfs/dbraw/zinc/73/67/43/381736743.db2.gz JSMOFJSKHNMAKV-OWNNVSBGSA-N 2 1 277.368 2.571 20 5 CFBDMP O=[N+]([O-])c1cccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415056555 381742932 /nfs/dbraw/zinc/74/29/32/381742932.db2.gz SHCYEQQSUCIJNF-GOEBONIOSA-N 2 1 289.379 2.559 20 5 CFBDMP O=[N+]([O-])c1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415056555 381742934 /nfs/dbraw/zinc/74/29/34/381742934.db2.gz SHCYEQQSUCIJNF-GOEBONIOSA-N 2 1 289.379 2.559 20 5 CFBDMP Cc1c(C[NH2+][C@@H](C[NH3+])C2CCCCC2)cccc1[N+](=O)[O-] ZINC000420355600 382380757 /nfs/dbraw/zinc/38/07/57/382380757.db2.gz CCMZEDZBUXVVFY-HNNXBMFYSA-N 2 1 291.395 2.900 20 5 CFBDMP [NH3+]CC[C@H]1CCCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000352526635 382381484 /nfs/dbraw/zinc/38/14/84/382381484.db2.gz QAYGPIZLMKFLLN-KEDPEKRHSA-N 2 1 289.379 2.811 20 5 CFBDMP [NH3+]CC[C@H]1CCCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000352526635 382381489 /nfs/dbraw/zinc/38/14/89/382381489.db2.gz QAYGPIZLMKFLLN-KEDPEKRHSA-N 2 1 289.379 2.811 20 5 CFBDMP Cc1c(CN[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000231884229 382867445 /nfs/dbraw/zinc/86/74/45/382867445.db2.gz AXNWHPCFQSVUSA-FZMZJTMJSA-N 2 1 289.379 2.618 20 5 CFBDMP Cc1c(CN[C@H]2C[C@H](C)[N@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000231884229 382867447 /nfs/dbraw/zinc/86/74/47/382867447.db2.gz AXNWHPCFQSVUSA-FZMZJTMJSA-N 2 1 289.379 2.618 20 5 CFBDMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000423364661 383065249 /nfs/dbraw/zinc/06/52/49/383065249.db2.gz CQXLRUSHOQFNNP-MBNYWOFBSA-N 2 1 277.368 2.552 20 5 CFBDMP CC[NH2+][C@H](C)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423375294 383071253 /nfs/dbraw/zinc/07/12/53/383071253.db2.gz IMTOGCFUWLJGQB-DOMZBBRYSA-N 2 1 291.395 2.504 20 5 CFBDMP Cc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000423375529 383071352 /nfs/dbraw/zinc/07/13/52/383071352.db2.gz KRMZJZWKCGFKOB-OBJOEFQTSA-N 2 1 277.368 2.694 20 5 CFBDMP Cc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000423375525 383071576 /nfs/dbraw/zinc/07/15/76/383071576.db2.gz KRMZJZWKCGFKOB-DYEKYZERSA-N 2 1 277.368 2.694 20 5 CFBDMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000423526027 383126266 /nfs/dbraw/zinc/12/62/66/383126266.db2.gz KWVCUKXMQUWPKQ-ABAIWWIYSA-N 2 1 277.368 2.763 20 5 CFBDMP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCC[NH+]1CCCC1 ZINC000520428460 383256379 /nfs/dbraw/zinc/25/63/79/383256379.db2.gz VPVGJBDFTMAQKP-HNNXBMFYSA-N 2 1 289.379 2.658 20 5 CFBDMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449334381 383223583 /nfs/dbraw/zinc/22/35/83/383223583.db2.gz JFFVXHPHEUMCGR-UONOGXRCSA-N 2 1 293.411 2.844 20 5 CFBDMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449334381 383223586 /nfs/dbraw/zinc/22/35/86/383223586.db2.gz JFFVXHPHEUMCGR-UONOGXRCSA-N 2 1 293.411 2.844 20 5 CFBDMP C[NH+](C)[C@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000277154732 384215855 /nfs/dbraw/zinc/21/58/55/384215855.db2.gz JVBXAOVDPOMTMD-HNNXBMFYSA-N 2 1 291.395 2.553 20 5 CFBDMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000268802747 384664738 /nfs/dbraw/zinc/66/47/38/384664738.db2.gz JWVKSDPFNJSFRN-GFCCVEGCSA-N 2 1 288.351 2.759 20 5 CFBDMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000268844289 384674825 /nfs/dbraw/zinc/67/48/25/384674825.db2.gz WPWYCMJXEQHPPU-LBPRGKRZSA-N 2 1 288.351 2.759 20 5 CFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000352535569 394015406 /nfs/dbraw/zinc/01/54/06/394015406.db2.gz SFGGSCNCWRVOER-AWEZNQCLSA-N 2 1 277.368 2.607 20 5 CFBDMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423280449 394276299 /nfs/dbraw/zinc/27/62/99/394276299.db2.gz UEUYYXOTHRSPFA-LSDHHAIUSA-N 2 1 291.395 2.890 20 5 CFBDMP CC1(C)C[C@@H]([NH2+]C[C@@H]([NH3+])C2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000423339181 394277564 /nfs/dbraw/zinc/27/75/64/394277564.db2.gz ZHPXDAMBGVEGAF-HUUCEWRRSA-N 2 1 289.379 2.644 20 5 CFBDMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000423526032 394290614 /nfs/dbraw/zinc/29/06/14/394290614.db2.gz KWVCUKXMQUWPKQ-XHDPSFHLSA-N 2 1 277.368 2.763 20 5 CFBDMP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCC[NH2+]C1CC1)CCC2 ZINC000423567193 394298183 /nfs/dbraw/zinc/29/81/83/394298183.db2.gz VAKGTIRVBCMQDX-INIZCTEOSA-N 2 1 289.379 2.704 20 5 CFBDMP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000037176870 173010758 /nfs/dbraw/zinc/01/07/58/173010758.db2.gz DQZPBKBQQBIOQM-LBPRGKRZSA-N 2 1 279.384 2.833 20 5 CFBDMP CC1(C)C[C@@H]([NH2+]C2CC[NH2+]CC2)c2cc([N+](=O)[O-])ccc21 ZINC000332026523 275859730 /nfs/dbraw/zinc/85/97/30/275859730.db2.gz VDYWJSAYVJCDBP-OAHLLOKOSA-N 2 1 289.379 2.659 20 5 CFBDMP CCC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C1CC[NH2+]CC1 ZINC000037539303 276000198 /nfs/dbraw/zinc/00/01/98/276000198.db2.gz LFVZEOBBIOMNSG-UHFFFAOYSA-N 2 1 291.395 2.601 20 5 CFBDMP CC(C)c1ccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000346649161 278036938 /nfs/dbraw/zinc/03/69/38/278036938.db2.gz GMRSUUJQTMHIQS-GXTWGEPZSA-N 2 1 291.395 2.887 20 5 CFBDMP CC(C)c1ccc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000346649161 278036940 /nfs/dbraw/zinc/03/69/40/278036940.db2.gz GMRSUUJQTMHIQS-GXTWGEPZSA-N 2 1 291.395 2.887 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000245532466 281020568 /nfs/dbraw/zinc/02/05/68/281020568.db2.gz UPSXPRWLXUHSQJ-KGLIPLIRSA-N 2 1 291.395 2.848 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000245532466 281020571 /nfs/dbraw/zinc/02/05/71/281020571.db2.gz UPSXPRWLXUHSQJ-KGLIPLIRSA-N 2 1 291.395 2.848 20 5 CFBDMP [NH3+]CCC[N@H+](Cc1ccccc1[N+](=O)[O-])CC1CCCC1 ZINC000352494982 303378143 /nfs/dbraw/zinc/37/81/43/303378143.db2.gz HQRCKVKCHBXORA-UHFFFAOYSA-N 2 1 291.395 2.936 20 5 CFBDMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000422917286 534084356 /nfs/dbraw/zinc/08/43/56/534084356.db2.gz FVSXOXWOMYVFRY-CJNGLKHVSA-N 2 1 291.395 2.505 20 5 CFBDMP [NH3+]CCC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423196259 534615680 /nfs/dbraw/zinc/61/56/80/534615680.db2.gz UZELPGSMTGKIJN-INIZCTEOSA-N 2 1 285.347 2.623 20 5 CFBDMP Cc1ccc([C@@H](C)[NH2+][C@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000049553665 525744100 /nfs/dbraw/zinc/74/41/00/525744100.db2.gz STSSAUKYOCBMDB-CHWSQXEVSA-N 2 1 279.384 2.894 20 5 CFBDMP CC[NH2+]CC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414847517 528335579 /nfs/dbraw/zinc/33/55/79/528335579.db2.gz OWAVEXIBXCIJES-HIFRSBDPSA-N 2 1 291.395 2.505 20 5 CFBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC[C@H](C)[NH+](C)C ZINC000895290949 618511766 /nfs/dbraw/zinc/51/17/66/618511766.db2.gz WVFDXHLLWJIAPB-LBPRGKRZSA-N 2 1 279.384 2.641 20 5 CFBDMP C[C@@H]([NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)c1ccccc1[N+](=O)[O-] ZINC000925730148 619031531 /nfs/dbraw/zinc/03/15/31/619031531.db2.gz NWVZRTIZEUTHRR-LERXQTSPSA-N 2 1 275.352 2.515 20 5 CFBDMP C[C@@H](C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC000902432724 621078311 /nfs/dbraw/zinc/07/83/11/621078311.db2.gz XAMDMSRMMSPFIP-GUTXKFCHSA-N 2 1 291.395 2.819 20 5 CFBDMP C[C@@H](C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC000902432725 621078438 /nfs/dbraw/zinc/07/84/38/621078438.db2.gz XAMDMSRMMSPFIP-GZBFAFLISA-N 2 1 291.395 2.819 20 5 CFBDMP COc1cc([C@@H](C)[NH2+][C@H](C)CC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000903083491 621246058 /nfs/dbraw/zinc/24/60/58/621246058.db2.gz IAQFTEJFJZXRCX-VXGBXAGGSA-N 2 1 295.383 2.594 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923480478 626475867 /nfs/dbraw/zinc/47/58/67/626475867.db2.gz HKDCPDWQEGZZGW-STQMWFEESA-N 2 1 277.368 2.635 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923494807 626477018 /nfs/dbraw/zinc/47/70/18/626477018.db2.gz OVTFLFZYAWQPHT-MELADBBJSA-N 2 1 291.395 2.881 20 5 CFBDMP Cc1ccc(CN[C@@H]2CC[N@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000865788141 638574010 /nfs/dbraw/zinc/57/40/10/638574010.db2.gz ZTPQYBZCUNZONV-CQSZACIVSA-N 2 1 291.395 2.866 20 5 CFBDMP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000865788141 638574017 /nfs/dbraw/zinc/57/40/17/638574017.db2.gz ZTPQYBZCUNZONV-CQSZACIVSA-N 2 1 291.395 2.866 20 5 CFBDMP Cc1c(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000873141468 642028716 /nfs/dbraw/zinc/02/87/16/642028716.db2.gz FSSAGAMLIBCNCM-AWEZNQCLSA-N 2 1 291.395 2.725 20 5 CFBDMP Cc1c(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000873141468 642028718 /nfs/dbraw/zinc/02/87/18/642028718.db2.gz FSSAGAMLIBCNCM-AWEZNQCLSA-N 2 1 291.395 2.725 20 5 CFBDMP C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C1CCC([NH3+])CC1 ZINC000091847001 650909973 /nfs/dbraw/zinc/90/99/73/650909973.db2.gz HUYDULLTOMSAND-UHFFFAOYSA-N 2 1 297.786 2.950 20 5 CFBDMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1OCC[N+](C)(C)C ZINC001224772036 775269689 /nfs/dbraw/zinc/26/96/89/775269689.db2.gz WIAAUBQJHYNSRQ-FUHWJXTLSA-N 2 1 291.459 2.620 20 5 CFBDMP C[C@@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000404314095 348590129 /nfs/dbraw/zinc/59/01/29/348590129.db2.gz AFADDNVFJLPFQQ-TZMCWYRMSA-N 2 1 277.368 2.544 20 5 CFBDMP C[C@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000404314093 348590726 /nfs/dbraw/zinc/59/07/26/348590726.db2.gz AFADDNVFJLPFQQ-JSGCOSHPSA-N 2 1 277.368 2.544 20 5 CFBDMP C[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H]1CC[NH3+] ZINC000404444379 348592269 /nfs/dbraw/zinc/59/22/69/348592269.db2.gz WJUJHJLWKXZCNN-IUODEOHRSA-N 2 1 277.368 2.544 20 5 CFBDMP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc1[N+](=O)[O-] ZINC000591282798 349006110 /nfs/dbraw/zinc/00/61/10/349006110.db2.gz RHKFVGJPCVBPTN-CQSZACIVSA-N 2 1 289.379 2.668 20 5 CFBDMP C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000591582966 349032958 /nfs/dbraw/zinc/03/29/58/349032958.db2.gz VUZOYELROQJBSY-TZMCWYRMSA-N 2 1 289.379 2.920 20 5 CFBDMP CC[C@@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592427647 349118605 /nfs/dbraw/zinc/11/86/05/349118605.db2.gz MLGZFDXMHXKGJF-DOMBMUJNSA-N 2 1 289.379 2.667 20 5 CFBDMP CC[C@@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592427647 349118608 /nfs/dbraw/zinc/11/86/08/349118608.db2.gz MLGZFDXMHXKGJF-DOMBMUJNSA-N 2 1 289.379 2.667 20 5 CFBDMP Cc1c(C[N@H+](C2CC2)C2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000592471153 349126529 /nfs/dbraw/zinc/12/65/29/349126529.db2.gz CCMPMAMFSNWHBZ-UHFFFAOYSA-N 2 1 289.379 2.620 20 5 CFBDMP Cc1c(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000592471153 349126532 /nfs/dbraw/zinc/12/65/32/349126532.db2.gz CCMPMAMFSNWHBZ-UHFFFAOYSA-N 2 1 289.379 2.620 20 5 CFBDMP Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCC[N@@H+](C)CC(C)C ZINC000593646370 349303116 /nfs/dbraw/zinc/30/31/16/349303116.db2.gz OHLGGXXOUMMIOR-UHFFFAOYSA-N 2 1 293.411 2.971 20 5 CFBDMP Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCC[N@H+](C)CC(C)C ZINC000593646370 349303117 /nfs/dbraw/zinc/30/31/17/349303117.db2.gz OHLGGXXOUMMIOR-UHFFFAOYSA-N 2 1 293.411 2.971 20 5 CFBDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000105442957 186057411 /nfs/dbraw/zinc/05/74/11/186057411.db2.gz XECJCQSGSFOJJB-SNVBAGLBSA-N 2 1 294.380 2.587 20 5 CFBDMP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000414910456 233395797 /nfs/dbraw/zinc/39/57/97/233395797.db2.gz CWBCAQVWSZUWCQ-WDEREUQCSA-N 2 1 283.759 2.608 20 5 CFBDMP C[C@@H]1C[C@@H]([NH+](C)CCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000123737285 187106890 /nfs/dbraw/zinc/10/68/90/187106890.db2.gz DRXJWZCTNPVZAK-CJNGLKHVSA-N 2 1 291.395 2.552 20 5 CFBDMP C[C@@H]1C[C@@H]([NH+](C)CCc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000123737285 187106891 /nfs/dbraw/zinc/10/68/91/187106891.db2.gz DRXJWZCTNPVZAK-CJNGLKHVSA-N 2 1 291.395 2.552 20 5 CFBDMP C[C@@H]1C[C@@H]([N@H+](C)CCc2ccc([N+](=O)[O-])cc2)CC[NH+]1C ZINC000123737285 187106892 /nfs/dbraw/zinc/10/68/92/187106892.db2.gz DRXJWZCTNPVZAK-CJNGLKHVSA-N 2 1 291.395 2.552 20 5 CFBDMP C[C@@H]1C[C@@H]([N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)CC[NH+]1C ZINC000123737285 187106893 /nfs/dbraw/zinc/10/68/93/187106893.db2.gz DRXJWZCTNPVZAK-CJNGLKHVSA-N 2 1 291.395 2.552 20 5 CFBDMP CC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000271818877 191347143 /nfs/dbraw/zinc/34/71/43/191347143.db2.gz BWVIYMZICNSBJB-MRXNPFEDSA-N 2 1 289.379 2.897 20 5 CFBDMP C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1 ZINC000435433403 240314457 /nfs/dbraw/zinc/31/44/57/240314457.db2.gz NKNYRDBJOKGDFJ-KEDPEKRHSA-N 2 1 289.379 2.682 20 5 CFBDMP C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1 ZINC000435433406 240315239 /nfs/dbraw/zinc/31/52/39/240315239.db2.gz NKNYRDBJOKGDFJ-ZQMJAJRESA-N 2 1 289.379 2.682 20 5 CFBDMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc([N+](=O)[O-])c1 ZINC000037775563 372706371 /nfs/dbraw/zinc/70/63/71/372706371.db2.gz XIOFQMLENAZKIA-PRTUASRFSA-N 2 1 289.379 2.871 20 5 CFBDMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc([N+](=O)[O-])c1 ZINC000037775563 372706374 /nfs/dbraw/zinc/70/63/74/372706374.db2.gz XIOFQMLENAZKIA-PRTUASRFSA-N 2 1 289.379 2.871 20 5 CFBDMP C[C@@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000062077284 373747625 /nfs/dbraw/zinc/74/76/25/373747625.db2.gz SILGBBYGQDTWIF-KBPBESRZSA-N 2 1 291.395 2.977 20 5 CFBDMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000093521167 375264113 /nfs/dbraw/zinc/26/41/13/375264113.db2.gz GEINKOBAVNYTNW-HIFRSBDPSA-N 2 1 291.395 2.995 20 5 CFBDMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000414181083 381569125 /nfs/dbraw/zinc/56/91/25/381569125.db2.gz MMLJJJYWOUBHIY-UONOGXRCSA-N 2 1 291.395 2.977 20 5 CFBDMP CCC[N@H+](CCC[NH+](C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC000349422353 381930457 /nfs/dbraw/zinc/93/04/57/381930457.db2.gz VDGHTEQEBKHKGD-UHFFFAOYSA-N 2 1 279.384 2.759 20 5 CFBDMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC000349422353 381930459 /nfs/dbraw/zinc/93/04/59/381930459.db2.gz VDGHTEQEBKHKGD-UHFFFAOYSA-N 2 1 279.384 2.759 20 5 CFBDMP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000349387336 381922687 /nfs/dbraw/zinc/92/26/87/381922687.db2.gz UYHYCQHQJSUVNH-UHFFFAOYSA-N 2 1 291.395 2.903 20 5 CFBDMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000349387336 381922691 /nfs/dbraw/zinc/92/26/91/381922691.db2.gz UYHYCQHQJSUVNH-UHFFFAOYSA-N 2 1 291.395 2.903 20 5 CFBDMP Cc1ccc(C[N@@H+]2CCCC[C@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000352534612 382382451 /nfs/dbraw/zinc/38/24/51/382382451.db2.gz ILHIYENEBFMONU-AWEZNQCLSA-N 2 1 277.368 2.607 20 5 CFBDMP Cc1ccc(C[N@H+]2CCCC[C@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000352534612 382382455 /nfs/dbraw/zinc/38/24/55/382382455.db2.gz ILHIYENEBFMONU-AWEZNQCLSA-N 2 1 277.368 2.607 20 5 CFBDMP O=[N+]([O-])c1cccc(C[N@@H+](CC[C@H]2CC[NH2+]C2)C2CC2)c1 ZINC000420369604 382391308 /nfs/dbraw/zinc/39/13/08/382391308.db2.gz XUSOCEDMDDGRLX-CYBMUJFWSA-N 2 1 289.379 2.559 20 5 CFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000346673311 382464882 /nfs/dbraw/zinc/46/48/82/382464882.db2.gz IAMLOLVUOBEXLR-HNNXBMFYSA-N 2 1 279.384 2.708 20 5 CFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000346673311 382464891 /nfs/dbraw/zinc/46/48/91/382464891.db2.gz IAMLOLVUOBEXLR-HNNXBMFYSA-N 2 1 279.384 2.708 20 5 CFBDMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000423375527 383071471 /nfs/dbraw/zinc/07/14/71/383071471.db2.gz KRMZJZWKCGFKOB-MBNYWOFBSA-N 2 1 277.368 2.694 20 5 CFBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000449171907 383182456 /nfs/dbraw/zinc/18/24/56/383182456.db2.gz LEPMDNGRTWTEBN-VNHYZAJKSA-N 2 1 291.395 2.598 20 5 CFBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000449171907 383182459 /nfs/dbraw/zinc/18/24/59/383182459.db2.gz LEPMDNGRTWTEBN-VNHYZAJKSA-N 2 1 291.395 2.598 20 5 CFBDMP CC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCC[NH+](C)C ZINC000289382647 197321530 /nfs/dbraw/zinc/32/15/30/197321530.db2.gz CTDHRPDOKZBXRR-JXMROGBWSA-N 2 1 291.395 2.882 20 5 CFBDMP CC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCC[NH+](C)C ZINC000289382647 197321531 /nfs/dbraw/zinc/32/15/31/197321531.db2.gz CTDHRPDOKZBXRR-JXMROGBWSA-N 2 1 291.395 2.882 20 5 CFBDMP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000423174440 533361365 /nfs/dbraw/zinc/36/13/65/533361365.db2.gz ARGNLJYCZLHMPF-GFCCVEGCSA-N 2 1 277.368 2.907 20 5 CFBDMP CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000424378131 393841560 /nfs/dbraw/zinc/84/15/60/393841560.db2.gz SEXYNLAIOUYIAN-RBSFLKMASA-N 2 1 277.368 2.905 20 5 CFBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000251568175 393932328 /nfs/dbraw/zinc/93/23/28/393932328.db2.gz UEVKWQHKJPEGLY-SCRDCRAPSA-N 2 1 277.368 2.715 20 5 CFBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000251568175 393932330 /nfs/dbraw/zinc/93/23/30/393932330.db2.gz UEVKWQHKJPEGLY-SCRDCRAPSA-N 2 1 277.368 2.715 20 5 CFBDMP C[NH+](C)CCC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433146500 394013545 /nfs/dbraw/zinc/01/35/45/394013545.db2.gz VNBLJDBBFLWMMI-HNNXBMFYSA-N 2 1 291.395 2.859 20 5 CFBDMP Cc1c(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])cccc1[N+](=O)[O-] ZINC000423077711 394265221 /nfs/dbraw/zinc/26/52/21/394265221.db2.gz MWCUAMSLRLVXBD-ZIAGYGMSSA-N 2 1 277.368 2.653 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000158174929 394355191 /nfs/dbraw/zinc/35/51/91/394355191.db2.gz DKERQGRKQQGHCD-ZIAGYGMSSA-N 2 1 291.395 2.896 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000158174929 394355194 /nfs/dbraw/zinc/35/51/94/394355194.db2.gz DKERQGRKQQGHCD-ZIAGYGMSSA-N 2 1 291.395 2.896 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000530460178 394519817 /nfs/dbraw/zinc/51/98/17/394519817.db2.gz RNPRCYDBLYQQKG-LBPRGKRZSA-N 2 1 288.351 2.530 20 5 CFBDMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000044534129 175196948 /nfs/dbraw/zinc/19/69/48/175196948.db2.gz YQKQOUWAJLXWJN-CJNGLKHVSA-N 2 1 291.395 2.977 20 5 CFBDMP C[NH2+]CCC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423208589 277268726 /nfs/dbraw/zinc/26/87/26/277268726.db2.gz ZJJSJYZGPYHABL-AWEZNQCLSA-N 2 1 277.368 2.516 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000420305402 281020143 /nfs/dbraw/zinc/02/01/43/281020143.db2.gz KCXVMQHERFWTTG-CJNGLKHVSA-N 2 1 289.379 2.650 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000420305402 281020147 /nfs/dbraw/zinc/02/01/47/281020147.db2.gz KCXVMQHERFWTTG-CJNGLKHVSA-N 2 1 289.379 2.650 20 5 CFBDMP C[C@@]1(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC[NH2+]C1 ZINC000262130285 289161478 /nfs/dbraw/zinc/16/14/78/289161478.db2.gz YAVLMTQJBAQZMU-MRXNPFEDSA-N 2 1 289.379 2.559 20 5 CFBDMP C[C@@]1(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC[NH2+]C1 ZINC000262130285 289161482 /nfs/dbraw/zinc/16/14/82/289161482.db2.gz YAVLMTQJBAQZMU-MRXNPFEDSA-N 2 1 289.379 2.559 20 5 CFBDMP C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000563416691 290146423 /nfs/dbraw/zinc/14/64/23/290146423.db2.gz INIXRJAGOCMBHY-WFASDCNBSA-N 2 1 289.379 2.514 20 5 CFBDMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000563416691 290146425 /nfs/dbraw/zinc/14/64/25/290146425.db2.gz INIXRJAGOCMBHY-WFASDCNBSA-N 2 1 289.379 2.514 20 5 CFBDMP CC(C)[NH2+]CCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000566088290 290346428 /nfs/dbraw/zinc/34/64/28/290346428.db2.gz GXVBKLWAEVUPEP-MRXNPFEDSA-N 2 1 291.395 2.950 20 5 CFBDMP C[C@@H](C[NH3+])C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423300321 533774923 /nfs/dbraw/zinc/77/49/23/533774923.db2.gz DMBXDQNKOFDPHE-SUMWQHHRSA-N 2 1 299.374 2.869 20 5 CFBDMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000245470766 519862146 /nfs/dbraw/zinc/86/21/46/519862146.db2.gz WVVHFFAWHJYIIX-KGLIPLIRSA-N 2 1 291.395 2.977 20 5 CFBDMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000245470766 519862147 /nfs/dbraw/zinc/86/21/47/519862147.db2.gz WVVHFFAWHJYIIX-KGLIPLIRSA-N 2 1 291.395 2.977 20 5 CFBDMP C[NH+](C)CC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000314144057 524049557 /nfs/dbraw/zinc/04/95/57/524049557.db2.gz JXBJKUSVMLQUBN-UHFFFAOYSA-N 2 1 295.358 2.508 20 5 CFBDMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000261756934 527194614 /nfs/dbraw/zinc/19/46/14/527194614.db2.gz COXPQNWXPNRHNR-LLVKDONJSA-N 2 1 297.786 2.809 20 5 CFBDMP O=[N+]([O-])c1cccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)c1 ZINC000340424002 527385880 /nfs/dbraw/zinc/38/58/80/527385880.db2.gz APXVWWQMNKCGNU-UHFFFAOYSA-N 2 1 289.379 2.701 20 5 CFBDMP CC(C)C[C@H](C[NH3+])[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000414851512 528517998 /nfs/dbraw/zinc/51/79/98/528517998.db2.gz OZLIHBOXGPRSDI-BRLPQQTGSA-N 2 1 277.368 2.571 20 5 CFBDMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423266232 528534015 /nfs/dbraw/zinc/53/40/15/528534015.db2.gz DGSUIZBLRWBZLH-LSDHHAIUSA-N 2 1 277.368 2.545 20 5 CFBDMP C[C@@H](CC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000895297777 618516704 /nfs/dbraw/zinc/51/67/04/618516704.db2.gz PDHZKPNYNNJQEG-CFNZNRNTSA-N 2 1 277.368 2.538 20 5 CFBDMP COc1cc([C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000903083489 621246263 /nfs/dbraw/zinc/24/62/63/621246263.db2.gz IAQFTEJFJZXRCX-NWDGAFQWSA-N 2 1 295.383 2.594 20 5 CFBDMP C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC[C@@H]1C[NH3+] ZINC000904411587 621592291 /nfs/dbraw/zinc/59/22/91/621592291.db2.gz NTKRBWHJMUWSJR-WDEREUQCSA-N 2 1 297.786 2.665 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923522688 626478711 /nfs/dbraw/zinc/47/87/11/626478711.db2.gz YQVYWRALKAVFIR-MELADBBJSA-N 2 1 289.379 2.506 20 5 CFBDMP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761524169 626842302 /nfs/dbraw/zinc/84/23/02/626842302.db2.gz WNCOBPZRMUFMKS-SNVBAGLBSA-N 2 1 285.775 2.678 20 5 CFBDMP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000841056093 631324737 /nfs/dbraw/zinc/32/47/37/631324737.db2.gz XQMWLBMGOBTIBU-MNOVXSKESA-N 2 1 283.759 2.608 20 5 CFBDMP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872054604 641589209 /nfs/dbraw/zinc/58/92/09/641589209.db2.gz ZPTCJFLKDSZHPI-LLVKDONJSA-N 2 1 293.342 2.646 20 5 CFBDMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872054604 641589212 /nfs/dbraw/zinc/58/92/12/641589212.db2.gz ZPTCJFLKDSZHPI-LLVKDONJSA-N 2 1 293.342 2.646 20 5 CFBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723888166 770707066 /nfs/dbraw/zinc/70/70/66/770707066.db2.gz XHJJIRSVRURSRQ-JHJVBQTASA-N 2 1 277.368 2.573 20 5 CFBDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1OCC[N+](C)(C)C ZINC001224776494 775271748 /nfs/dbraw/zinc/27/17/48/775271748.db2.gz WKZJBSWJGAMICF-AEFFLSMTSA-N 2 1 291.459 2.620 20 5 CFBDMP C[C@@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000130221222 779165188 /nfs/dbraw/zinc/16/51/88/779165188.db2.gz PYEAFUUMGYGPRW-IVMMDQJWSA-N 2 1 289.379 2.872 20 5 CFBDMP C[C@@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000130221222 779165191 /nfs/dbraw/zinc/16/51/91/779165191.db2.gz PYEAFUUMGYGPRW-IVMMDQJWSA-N 2 1 289.379 2.872 20 5 CFBDMP C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000596648128 349967559 /nfs/dbraw/zinc/96/75/59/349967559.db2.gz JNXXPHXYCICQDD-LLVKDONJSA-N 2 1 263.341 2.517 20 5 CFBDMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000414170022 233185955 /nfs/dbraw/zinc/18/59/55/233185955.db2.gz BLPUCVHDNPXRRD-ZIAGYGMSSA-N 2 1 291.395 2.977 20 5 CFBDMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)c1cccc([N+](=O)[O-])c1 ZINC000593972873 349343546 /nfs/dbraw/zinc/34/35/46/349343546.db2.gz RWFGXTDYQMDICT-LBPRGKRZSA-N 2 1 288.351 2.612 20 5 CFBDMP C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1 ZINC000435433404 240313932 /nfs/dbraw/zinc/31/39/32/240313932.db2.gz NKNYRDBJOKGDFJ-PKYBCLHXSA-N 2 1 289.379 2.682 20 5 CFBDMP C[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C[NH+]1CCCCC1 ZINC000037997556 372756361 /nfs/dbraw/zinc/75/63/61/372756361.db2.gz YADDUOQMAXSJAV-CQSZACIVSA-N 2 1 291.395 2.806 20 5 CFBDMP Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000368318718 380990242 /nfs/dbraw/zinc/99/02/42/380990242.db2.gz NSFDMRABPKPEGP-LSDHHAIUSA-N 2 1 289.379 2.620 20 5 CFBDMP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000368318718 380990246 /nfs/dbraw/zinc/99/02/46/380990246.db2.gz NSFDMRABPKPEGP-LSDHHAIUSA-N 2 1 289.379 2.620 20 5 CFBDMP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000368318718 380990256 /nfs/dbraw/zinc/99/02/56/380990256.db2.gz NSFDMRABPKPEGP-LSDHHAIUSA-N 2 1 289.379 2.620 20 5 CFBDMP Cc1ccc(C[N@H+](C)[C@H]2CCN(C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000290521904 381464156 /nfs/dbraw/zinc/46/41/56/381464156.db2.gz QBOLFXUIYXMWMG-ZFWWWQNUSA-N 2 1 291.395 2.675 20 5 CFBDMP Cc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000290521904 381464163 /nfs/dbraw/zinc/46/41/63/381464163.db2.gz QBOLFXUIYXMWMG-ZFWWWQNUSA-N 2 1 291.395 2.675 20 5 CFBDMP Cc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000290521904 381464171 /nfs/dbraw/zinc/46/41/71/381464171.db2.gz QBOLFXUIYXMWMG-ZFWWWQNUSA-N 2 1 291.395 2.675 20 5 CFBDMP Cc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000290521904 381464178 /nfs/dbraw/zinc/46/41/78/381464178.db2.gz QBOLFXUIYXMWMG-ZFWWWQNUSA-N 2 1 291.395 2.675 20 5 CFBDMP Cc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000290521904 381464182 /nfs/dbraw/zinc/46/41/82/381464182.db2.gz QBOLFXUIYXMWMG-ZFWWWQNUSA-N 2 1 291.395 2.675 20 5 CFBDMP CC(C)(C)[C@H](C[NH3+])[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000415051429 381736002 /nfs/dbraw/zinc/73/60/02/381736002.db2.gz JSMOFJSKHNMAKV-QPBFKRLHSA-N 2 1 277.368 2.571 20 5 CFBDMP Cc1ccc([C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000293722755 382251579 /nfs/dbraw/zinc/25/15/79/382251579.db2.gz PRDTUXPHVMDSLP-WCQYABFASA-N 2 1 279.384 2.752 20 5 CFBDMP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000366406960 382505893 /nfs/dbraw/zinc/50/58/93/382505893.db2.gz BDXVZEZLTJRELN-GOEBONIOSA-N 2 1 289.379 2.511 20 5 CFBDMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000366406960 382505895 /nfs/dbraw/zinc/50/58/95/382505895.db2.gz BDXVZEZLTJRELN-GOEBONIOSA-N 2 1 289.379 2.511 20 5 CFBDMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000366406960 382505898 /nfs/dbraw/zinc/50/58/98/382505898.db2.gz BDXVZEZLTJRELN-GOEBONIOSA-N 2 1 289.379 2.511 20 5 CFBDMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000366406960 382505902 /nfs/dbraw/zinc/50/59/02/382505902.db2.gz BDXVZEZLTJRELN-GOEBONIOSA-N 2 1 289.379 2.511 20 5 CFBDMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000221923879 382800396 /nfs/dbraw/zinc/80/03/96/382800396.db2.gz NMVYKVRERXZIEH-CYBMUJFWSA-N 2 1 279.384 2.976 20 5 CFBDMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000221923879 382800397 /nfs/dbraw/zinc/80/03/97/382800397.db2.gz NMVYKVRERXZIEH-CYBMUJFWSA-N 2 1 279.384 2.976 20 5 CFBDMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000249382673 383342139 /nfs/dbraw/zinc/34/21/39/383342139.db2.gz UAIZWNOYVZCUQP-CHWSQXEVSA-N 2 1 277.368 2.587 20 5 CFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352535570 394015455 /nfs/dbraw/zinc/01/54/55/394015455.db2.gz SFGGSCNCWRVOER-CQSZACIVSA-N 2 1 277.368 2.607 20 5 CFBDMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000130220537 394105464 /nfs/dbraw/zinc/10/54/64/394105464.db2.gz PYEAFUUMGYGPRW-JGGQBBKZSA-N 2 1 289.379 2.872 20 5 CFBDMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000130220537 394105466 /nfs/dbraw/zinc/10/54/66/394105466.db2.gz PYEAFUUMGYGPRW-JGGQBBKZSA-N 2 1 289.379 2.872 20 5 CFBDMP CC(C)([NH3+])C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423288422 394275717 /nfs/dbraw/zinc/27/57/17/394275717.db2.gz SAPMTYHLGWKSIF-CYBMUJFWSA-N 2 1 277.368 2.644 20 5 CFBDMP Cc1c([C@H](C)[NH2+]CCC[NH2+]C2CC2)cccc1[N+](=O)[O-] ZINC000423529360 394291549 /nfs/dbraw/zinc/29/15/49/394291549.db2.gz PVBNMXGMLZMMOT-LBPRGKRZSA-N 2 1 277.368 2.696 20 5 CFBDMP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCC[NH2+]C1CC1)CCC2 ZINC000423567194 394298265 /nfs/dbraw/zinc/29/82/65/394298265.db2.gz VAKGTIRVBCMQDX-MRXNPFEDSA-N 2 1 289.379 2.704 20 5 CFBDMP C[C@@H]1C[C@@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000344610618 162081265 /nfs/dbraw/zinc/08/12/65/162081265.db2.gz AXBHVKDFBWOWQC-DOMBMUJNSA-N 2 1 289.379 2.680 20 5 CFBDMP C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC[C@H]1CCC[NH+]1C ZINC000285399546 196272659 /nfs/dbraw/zinc/27/26/59/196272659.db2.gz TVXXNGXQCBHFQF-OAHLLOKOSA-N 2 1 291.395 2.553 20 5 CFBDMP C[N@H+](CCc1ccccc1[N+](=O)[O-])CC[C@H]1CCC[NH+]1C ZINC000285399546 196272661 /nfs/dbraw/zinc/27/26/61/196272661.db2.gz TVXXNGXQCBHFQF-OAHLLOKOSA-N 2 1 291.395 2.553 20 5 CFBDMP C[NH+](CCc1ccccc1[N+](=O)[O-])CC[C@H]1CCC[N@@H+]1C ZINC000285399546 196272663 /nfs/dbraw/zinc/27/26/63/196272663.db2.gz TVXXNGXQCBHFQF-OAHLLOKOSA-N 2 1 291.395 2.553 20 5 CFBDMP C[NH+](CCc1ccccc1[N+](=O)[O-])CC[C@H]1CCC[N@H+]1C ZINC000285399546 196272665 /nfs/dbraw/zinc/27/26/65/196272665.db2.gz TVXXNGXQCBHFQF-OAHLLOKOSA-N 2 1 291.395 2.553 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000420300907 281022026 /nfs/dbraw/zinc/02/20/26/281022026.db2.gz DHXDICPFPQJHDQ-FRRDWIJNSA-N 2 1 277.368 2.633 20 5 CFBDMP CC[NH2+]CCC[NH2+][C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000567259685 290451152 /nfs/dbraw/zinc/45/11/52/290451152.db2.gz QXUHWSUJHYMHBH-LBPRGKRZSA-N 2 1 295.383 2.644 20 5 CFBDMP C[N@H+](CCC[NH3+])Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000581607593 325136316 /nfs/dbraw/zinc/13/63/16/325136316.db2.gz KUXCYXZLNZBVMV-UHFFFAOYSA-N 2 1 289.335 2.635 20 5 CFBDMP C[N@@H+](CCC[NH3+])Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000581607593 325136320 /nfs/dbraw/zinc/13/63/20/325136320.db2.gz KUXCYXZLNZBVMV-UHFFFAOYSA-N 2 1 289.335 2.635 20 5 CFBDMP CCC[NH2+]CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423306029 528517435 /nfs/dbraw/zinc/51/74/35/528517435.db2.gz DFTMLAIECMQTNX-OAHLLOKOSA-N 2 1 291.395 2.505 20 5 CFBDMP C[NH+](C)CC1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000727931595 574074209 /nfs/dbraw/zinc/07/42/09/574074209.db2.gz NRDNOCTUPAWYEK-UHFFFAOYSA-N 2 1 295.358 2.508 20 5 CFBDMP C[C@@H]([NH2+][C@@H](C)C[C@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000903988028 621499697 /nfs/dbraw/zinc/49/96/97/621499697.db2.gz MSBCVIYAKMJYLS-OUCADQQQSA-N 2 1 277.368 2.776 20 5 CFBDMP CC(C)[N@H+](CCC[NH2+]C1CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000923309375 626465479 /nfs/dbraw/zinc/46/54/79/626465479.db2.gz KRWPLQODBYMCPO-UHFFFAOYSA-N 2 1 291.395 2.947 20 5 CFBDMP CC(C)[N@@H+](CCC[NH2+]C1CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000923309375 626465481 /nfs/dbraw/zinc/46/54/81/626465481.db2.gz KRWPLQODBYMCPO-UHFFFAOYSA-N 2 1 291.395 2.947 20 5 CFBDMP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923498728 626477101 /nfs/dbraw/zinc/47/71/01/626477101.db2.gz JJJLHNZVKZBMHE-DYEKYZERSA-N 2 1 277.368 2.573 20 5 CFBDMP C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC000841034243 631314635 /nfs/dbraw/zinc/31/46/35/631314635.db2.gz WRBJIGOLPPEVJE-PWSUYJOCSA-N 2 1 297.786 2.726 20 5 CFBDMP C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC000841034237 631314832 /nfs/dbraw/zinc/31/48/32/631314832.db2.gz WRBJIGOLPPEVJE-JQWIXIFHSA-N 2 1 297.786 2.726 20 5 CFBDMP Cc1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])cc1[N+](=O)[O-] ZINC000873253486 642099003 /nfs/dbraw/zinc/09/90/03/642099003.db2.gz YKZDILLORVTQMI-UONOGXRCSA-N 2 1 277.368 2.653 20 5 CFBDMP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])C12CCC2)c1ccccc1[N+](=O)[O-] ZINC000925635551 648253871 /nfs/dbraw/zinc/25/38/71/648253871.db2.gz NWVZRTIZEUTHRR-BPNCWPANSA-N 2 1 275.352 2.515 20 5 CFBDMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)c1ccccc1[N+](=O)[O-] ZINC000925635555 648254018 /nfs/dbraw/zinc/25/40/18/648254018.db2.gz NWVZRTIZEUTHRR-LEWSCRJBSA-N 2 1 275.352 2.515 20 5 CFBDMP C[NH2+]CCC[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414860146 529971052 /nfs/dbraw/zinc/97/10/52/529971052.db2.gz OJQAXLIZRHYTRL-UHFFFAOYSA-N 2 1 289.335 2.554 20 5 CFBDMP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000591582663 349032715 /nfs/dbraw/zinc/03/27/15/349032715.db2.gz SRBHKPSBYIQQBI-JSGCOSHPSA-N 2 1 289.379 2.920 20 5 CFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000593316195 349246827 /nfs/dbraw/zinc/24/68/27/349246827.db2.gz NAZWLHFJPQLPKE-LRDDRELGSA-N 2 1 291.395 2.853 20 5 CFBDMP Cc1ccc(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000593317800 349246861 /nfs/dbraw/zinc/24/68/61/349246861.db2.gz YOYINBVHOVRYFV-WFASDCNBSA-N 2 1 291.395 2.853 20 5 CFBDMP Cc1c(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000598979180 350353191 /nfs/dbraw/zinc/35/31/91/350353191.db2.gz ZEOLHPTYPWTLBK-CQSZACIVSA-N 2 1 291.395 2.866 20 5 CFBDMP Cc1c(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000598979180 350353194 /nfs/dbraw/zinc/35/31/94/350353194.db2.gz ZEOLHPTYPWTLBK-CQSZACIVSA-N 2 1 291.395 2.866 20 5 CFBDMP C[N@H+]1CCCC[C@@H](CNCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000598995258 350356178 /nfs/dbraw/zinc/35/61/78/350356178.db2.gz WXJCJQBAYOPOKP-LBPRGKRZSA-N 2 1 295.358 2.555 20 5 CFBDMP Cc1cc([N+](=O)[O-])ccc1CNC[C@@H]1CCCC[N@H+](C)C1 ZINC000598994387 350356600 /nfs/dbraw/zinc/35/66/00/350356600.db2.gz MAJDTRZZCKMZFT-AWEZNQCLSA-N 2 1 291.395 2.725 20 5 CFBDMP Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000598994387 350356603 /nfs/dbraw/zinc/35/66/03/350356603.db2.gz MAJDTRZZCKMZFT-AWEZNQCLSA-N 2 1 291.395 2.725 20 5 CFBDMP Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000598994387 350356608 /nfs/dbraw/zinc/35/66/08/350356608.db2.gz MAJDTRZZCKMZFT-AWEZNQCLSA-N 2 1 291.395 2.725 20 5 CFBDMP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000106868391 186143546 /nfs/dbraw/zinc/14/35/46/186143546.db2.gz PIUJFWSRZSJOKF-HUUCEWRRSA-N 2 1 289.379 2.620 20 5 CFBDMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000106868391 186143548 /nfs/dbraw/zinc/14/35/48/186143548.db2.gz PIUJFWSRZSJOKF-HUUCEWRRSA-N 2 1 289.379 2.620 20 5 CFBDMP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000601972766 350821626 /nfs/dbraw/zinc/82/16/26/350821626.db2.gz OYAVOHXJMOBTOO-LLVKDONJSA-N 2 1 283.397 2.524 20 5 CFBDMP Cc1ccc(C[NH2+]CCC[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000221789765 539880384 /nfs/dbraw/zinc/88/03/84/539880384.db2.gz NTJBNHKUIBLVSN-UHFFFAOYSA-N 2 1 279.384 2.723 20 5 CFBDMP Cc1ccc(C[NH2+]CCC[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000221789765 539880389 /nfs/dbraw/zinc/88/03/89/539880389.db2.gz NTJBNHKUIBLVSN-UHFFFAOYSA-N 2 1 279.384 2.723 20 5 CFBDMP Cc1ccc([C@@H](C)[NH2+]CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000020091857 372229100 /nfs/dbraw/zinc/22/91/00/372229100.db2.gz FPXCRIGWCSHYHE-GFCCVEGCSA-N 2 1 265.357 2.506 20 5 CFBDMP CCC[NH+]1CCC([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000035011194 372526628 /nfs/dbraw/zinc/52/66/28/372526628.db2.gz IPAFRXGHUYDMRH-UHFFFAOYSA-N 2 1 291.395 2.867 20 5 CFBDMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000081095882 374686384 /nfs/dbraw/zinc/68/63/84/374686384.db2.gz IPZLCZLGWKYUQO-CZUORRHYSA-N 2 1 291.395 2.757 20 5 CFBDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000081095882 374686389 /nfs/dbraw/zinc/68/63/89/374686389.db2.gz IPZLCZLGWKYUQO-CZUORRHYSA-N 2 1 291.395 2.757 20 5 CFBDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000081095882 374686393 /nfs/dbraw/zinc/68/63/93/374686393.db2.gz IPZLCZLGWKYUQO-CZUORRHYSA-N 2 1 291.395 2.757 20 5 CFBDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000081095882 374686397 /nfs/dbraw/zinc/68/63/97/374686397.db2.gz IPZLCZLGWKYUQO-CZUORRHYSA-N 2 1 291.395 2.757 20 5 CFBDMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000091957354 375073114 /nfs/dbraw/zinc/07/31/14/375073114.db2.gz WWAYETPSKNTSPB-NWANDNLSSA-N 2 1 289.379 2.872 20 5 CFBDMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000091957354 375073119 /nfs/dbraw/zinc/07/31/19/375073119.db2.gz WWAYETPSKNTSPB-NWANDNLSSA-N 2 1 289.379 2.872 20 5 CFBDMP Cc1ccc(C[N@H+](C)[C@H]2CCN(C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000290521893 381463443 /nfs/dbraw/zinc/46/34/43/381463443.db2.gz QBOLFXUIYXMWMG-HIFRSBDPSA-N 2 1 291.395 2.675 20 5 CFBDMP Cc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000290521893 381463448 /nfs/dbraw/zinc/46/34/48/381463448.db2.gz QBOLFXUIYXMWMG-HIFRSBDPSA-N 2 1 291.395 2.675 20 5 CFBDMP Cc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000290521893 381463454 /nfs/dbraw/zinc/46/34/54/381463454.db2.gz QBOLFXUIYXMWMG-HIFRSBDPSA-N 2 1 291.395 2.675 20 5 CFBDMP Cc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000290521893 381463460 /nfs/dbraw/zinc/46/34/60/381463460.db2.gz QBOLFXUIYXMWMG-HIFRSBDPSA-N 2 1 291.395 2.675 20 5 CFBDMP Cc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000290521893 381463465 /nfs/dbraw/zinc/46/34/65/381463465.db2.gz QBOLFXUIYXMWMG-HIFRSBDPSA-N 2 1 291.395 2.675 20 5 CFBDMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000346693378 382478014 /nfs/dbraw/zinc/47/80/14/382478014.db2.gz MRZAASLRAXXNNB-LYASGUKUSA-N 2 1 291.395 2.913 20 5 CFBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226326101 382826797 /nfs/dbraw/zinc/82/67/97/382826797.db2.gz OJFWLZPPMOBLJS-OLZOCXBDSA-N 2 1 277.368 2.717 20 5 CFBDMP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000226331672 382826810 /nfs/dbraw/zinc/82/68/10/382826810.db2.gz NGJYSKKUTIHDSJ-AVGNSLFASA-N 2 1 277.368 2.715 20 5 CFBDMP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000226331672 382826812 /nfs/dbraw/zinc/82/68/12/382826812.db2.gz NGJYSKKUTIHDSJ-AVGNSLFASA-N 2 1 277.368 2.715 20 5 CFBDMP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226326096 382826831 /nfs/dbraw/zinc/82/68/31/382826831.db2.gz OJFWLZPPMOBLJS-STQMWFEESA-N 2 1 277.368 2.717 20 5 CFBDMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1[N+](=O)[O-] ZINC000423012878 383010078 /nfs/dbraw/zinc/01/00/78/383010078.db2.gz DWVSFKOJAPEVDM-FKJOKYEKSA-N 2 1 275.352 2.528 20 5 CFBDMP C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]1 ZINC000423041806 383026725 /nfs/dbraw/zinc/02/67/25/383026725.db2.gz JWNKZJZGYGCFOO-GXFFZTMASA-N 2 1 297.786 2.521 20 5 CFBDMP C[C@@H]1CC2(C[N@H+]1Cc1ccccc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000572713241 383808765 /nfs/dbraw/zinc/80/87/65/383808765.db2.gz YGVSBACFHABEBQ-CYBMUJFWSA-N 2 1 289.379 2.559 20 5 CFBDMP Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453592888 383863705 /nfs/dbraw/zinc/86/37/05/383863705.db2.gz FUSVXQUNYZYHFL-UHFFFAOYSA-N 2 1 291.395 2.867 20 5 CFBDMP CC(C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000276729795 386027209 /nfs/dbraw/zinc/02/72/09/386027209.db2.gz VDBVSRIDZATVQI-UHFFFAOYSA-N 2 1 291.395 2.806 20 5 CFBDMP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423327600 533423860 /nfs/dbraw/zinc/42/38/60/533423860.db2.gz LLWJAZBOFMLEJO-DOMZBBRYSA-N 2 1 277.368 2.635 20 5 CFBDMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000251548310 393932393 /nfs/dbraw/zinc/93/23/93/393932393.db2.gz PYEAFUUMGYGPRW-NOLJZWGESA-N 2 1 289.379 2.872 20 5 CFBDMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000251548310 393932395 /nfs/dbraw/zinc/93/23/95/393932395.db2.gz PYEAFUUMGYGPRW-NOLJZWGESA-N 2 1 289.379 2.872 20 5 CFBDMP C[NH+](C)CCC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417297707 393949010 /nfs/dbraw/zinc/94/90/10/393949010.db2.gz JHKZQOPHGBWMSA-MRXNPFEDSA-N 2 1 291.395 2.904 20 5 CFBDMP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000037267022 173077183 /nfs/dbraw/zinc/07/71/83/173077183.db2.gz FCLNCTAKVPKOCY-GFCCVEGCSA-N 2 1 277.368 2.648 20 5 CFBDMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000044533983 175197550 /nfs/dbraw/zinc/19/75/50/175197550.db2.gz RDRTUFWWYROPOS-OLZOCXBDSA-N 2 1 277.368 2.587 20 5 CFBDMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000044533983 175197552 /nfs/dbraw/zinc/19/75/52/175197552.db2.gz RDRTUFWWYROPOS-OLZOCXBDSA-N 2 1 277.368 2.587 20 5 CFBDMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000044534274 175197953 /nfs/dbraw/zinc/19/79/53/175197953.db2.gz XDECNNIGFMSAIK-CHWSQXEVSA-N 2 1 277.368 2.587 20 5 CFBDMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000044534274 175197955 /nfs/dbraw/zinc/19/79/55/175197955.db2.gz XDECNNIGFMSAIK-CHWSQXEVSA-N 2 1 277.368 2.587 20 5 CFBDMP Cc1c(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000397270844 270316544 /nfs/dbraw/zinc/31/65/44/270316544.db2.gz MUNGQJZXXXAOIX-JMSVASOKSA-N 2 1 291.395 2.708 20 5 CFBDMP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000420267888 277283471 /nfs/dbraw/zinc/28/34/71/277283471.db2.gz GFHXMLVOHQIYRW-UONOGXRCSA-N 2 1 291.395 2.896 20 5 CFBDMP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000420267888 277283472 /nfs/dbraw/zinc/28/34/72/277283472.db2.gz GFHXMLVOHQIYRW-UONOGXRCSA-N 2 1 291.395 2.896 20 5 CFBDMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000414835155 279142346 /nfs/dbraw/zinc/14/23/46/279142346.db2.gz HEGMSVMQNCDWOP-UKRRQHHQSA-N 2 1 293.411 2.879 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420406848 281021895 /nfs/dbraw/zinc/02/18/95/281021895.db2.gz OCHNFXOINFPZES-UBHSHLNASA-N 2 1 291.395 2.881 20 5 CFBDMP Cc1c([C@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])cccc1[N+](=O)[O-] ZINC000424372843 281227401 /nfs/dbraw/zinc/22/74/01/281227401.db2.gz IRDVKFNRARXOOG-IACUBPJLSA-N 2 1 277.368 2.824 20 5 CFBDMP CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435392541 281234962 /nfs/dbraw/zinc/23/49/62/281234962.db2.gz WZTZYSOKQKOWLS-CQSZACIVSA-N 2 1 277.368 2.559 20 5 CFBDMP CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]CC1 ZINC000435393398 281235056 /nfs/dbraw/zinc/23/50/56/281235056.db2.gz ZKTHGMYJPSFJGM-AWEZNQCLSA-N 2 1 277.368 2.559 20 5 CFBDMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000563416689 290146582 /nfs/dbraw/zinc/14/65/82/290146582.db2.gz INIXRJAGOCMBHY-IUODEOHRSA-N 2 1 289.379 2.514 20 5 CFBDMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000563416689 290146585 /nfs/dbraw/zinc/14/65/85/290146585.db2.gz INIXRJAGOCMBHY-IUODEOHRSA-N 2 1 289.379 2.514 20 5 CFBDMP CC[N@@H+]1CCC[C@H]1CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000581834488 325152288 /nfs/dbraw/zinc/15/22/88/325152288.db2.gz QJSIYCCKNGBYBI-SWLSCSKDSA-N 2 1 289.379 2.656 20 5 CFBDMP CC[N@H+]1CCC[C@H]1CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000581834488 325152292 /nfs/dbraw/zinc/15/22/92/325152292.db2.gz QJSIYCCKNGBYBI-SWLSCSKDSA-N 2 1 289.379 2.656 20 5 CFBDMP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000584123728 325332728 /nfs/dbraw/zinc/33/27/28/325332728.db2.gz GYWGGBDMHWZIFR-CQSZACIVSA-N 2 1 291.395 2.760 20 5 CFBDMP CC[C@H]([NH2+][C@@H](C)CC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000049553778 522688102 /nfs/dbraw/zinc/68/81/02/522688102.db2.gz SQGNKSXFXSSMNP-WFASDCNBSA-N 2 1 279.384 2.976 20 5 CFBDMP Cc1c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000157919506 525727449 /nfs/dbraw/zinc/72/74/49/525727449.db2.gz CBWVAYOWGNJQNL-HUUCEWRRSA-N 2 1 289.379 2.620 20 5 CFBDMP Cc1c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000157919506 525727456 /nfs/dbraw/zinc/72/74/56/525727456.db2.gz CBWVAYOWGNJQNL-HUUCEWRRSA-N 2 1 289.379 2.620 20 5 CFBDMP CC[C@@H]([NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]1 ZINC000902428954 621076000 /nfs/dbraw/zinc/07/60/00/621076000.db2.gz INPCPBHDCUXOGG-YUELXQCFSA-N 2 1 291.395 2.819 20 5 CFBDMP C[C@@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccccc1[N+](=O)[O-] ZINC000902431177 621077158 /nfs/dbraw/zinc/07/71/58/621077158.db2.gz SCVYAFLXINTSSC-SWLSCSKDSA-N 2 1 289.379 2.573 20 5 CFBDMP CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903432423 621372478 /nfs/dbraw/zinc/37/24/78/621372478.db2.gz BGLMTPHIBCHMPI-CABCVRRESA-N 2 1 291.395 2.933 20 5 CFBDMP CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904312869 621571138 /nfs/dbraw/zinc/57/11/38/621571138.db2.gz OVWYRPYMKAZCPL-OKILXGFUSA-N 2 1 277.368 2.543 20 5 CFBDMP C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC[C@H]1C[NH3+] ZINC000923499740 626477416 /nfs/dbraw/zinc/47/74/16/626477416.db2.gz SXNIDBYBPLCHAZ-MNOVXSKESA-N 2 1 297.786 2.665 20 5 CFBDMP Cc1c(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000873069557 642002793 /nfs/dbraw/zinc/00/27/93/642002793.db2.gz JYYLJZBRNCRHDF-CABCVRRESA-N 2 1 291.395 2.866 20 5 CFBDMP C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1CCC([NH3+])CC1 ZINC000091846420 650909896 /nfs/dbraw/zinc/90/98/96/650909896.db2.gz VQCMQTXIXCYAIW-UHFFFAOYSA-N 2 1 297.786 2.950 20 5 CFBDMP C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1CC[NH3+] ZINC000723891015 770707085 /nfs/dbraw/zinc/70/70/85/770707085.db2.gz JWPSZSHWIAYABC-GHMZBOCLSA-N 2 1 297.786 2.665 20 5 CFBDMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1OCC[N+](C)(C)C ZINC001224772038 775269446 /nfs/dbraw/zinc/26/94/46/775269446.db2.gz WIAAUBQJHYNSRQ-WMZOPIPTSA-N 2 1 291.459 2.620 20 5 CFBDMP C[N+](C)(C)CCO[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC001224775949 778681406 /nfs/dbraw/zinc/68/14/06/778681406.db2.gz QDGQXKDCAXXCLQ-MRXNPFEDSA-N 2 1 297.850 2.637 20 5 CFBDMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000273425244 192146353 /nfs/dbraw/zinc/14/63/53/192146353.db2.gz KCPMEYKKHOZQCH-UHFFFAOYSA-N 2 1 288.351 2.588 20 5 CFBDMP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000402902580 348583159 /nfs/dbraw/zinc/58/31/59/348583159.db2.gz QZVBMXXDOGDIBR-NOLJZWGESA-N 2 1 289.379 2.717 20 5 CFBDMP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000402896413 348583258 /nfs/dbraw/zinc/58/32/58/348583258.db2.gz OIOADQLJIZPPLF-XEZPLFJOSA-N 2 1 289.379 2.717 20 5 CFBDMP C[N@@H+](CCCC1CC[NH2+]CC1)Cc1ccccc1[N+](=O)[O-] ZINC000592476544 349127016 /nfs/dbraw/zinc/12/70/16/349127016.db2.gz IAYKOYRPFRFZRZ-UHFFFAOYSA-N 2 1 291.395 2.806 20 5 CFBDMP C[NH2+]Cc1ccccc1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000593319767 349246365 /nfs/dbraw/zinc/24/63/65/349246365.db2.gz XSRLVUIUDJQSMO-UHFFFAOYSA-N 2 1 291.376 2.666 20 5 CFBDMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000598956116 350348888 /nfs/dbraw/zinc/34/88/88/350348888.db2.gz XKWKHUGSNSHZQK-CYBMUJFWSA-N 2 1 277.368 2.557 20 5 CFBDMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000598956116 350348889 /nfs/dbraw/zinc/34/88/89/350348889.db2.gz XKWKHUGSNSHZQK-CYBMUJFWSA-N 2 1 277.368 2.557 20 5 CFBDMP CCC[N@@H+]1CCC[C@H]1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602656534 350963538 /nfs/dbraw/zinc/96/35/38/350963538.db2.gz VHGUDKPGQMKBTP-INIZCTEOSA-N 2 1 291.395 2.601 20 5 CFBDMP CCC[N@H+]1CCC[C@H]1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602656534 350963541 /nfs/dbraw/zinc/96/35/41/350963541.db2.gz VHGUDKPGQMKBTP-INIZCTEOSA-N 2 1 291.395 2.601 20 5 CFBDMP C[C@H](C[NH3+])C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423300318 238355531 /nfs/dbraw/zinc/35/55/31/238355531.db2.gz DMBXDQNKOFDPHE-CXAGYDPISA-N 2 1 299.374 2.869 20 5 CFBDMP CC[C@H]([NH2+]CCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000037010473 372627400 /nfs/dbraw/zinc/62/74/00/372627400.db2.gz OBFSDLJOPVXFHT-AWEZNQCLSA-N 2 1 265.357 2.587 20 5 CFBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CC(C)(C)C[NH3+] ZINC000093861197 375323529 /nfs/dbraw/zinc/32/35/29/375323529.db2.gz DIGQZVPCJOGDGO-LLVKDONJSA-N 2 1 265.357 2.573 20 5 CFBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CC(C)(C)C[NH3+] ZINC000093861197 375323535 /nfs/dbraw/zinc/32/35/35/375323535.db2.gz DIGQZVPCJOGDGO-LLVKDONJSA-N 2 1 265.357 2.573 20 5 CFBDMP Cc1c([C@@H](C)[NH2+]C2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000161473176 378849021 /nfs/dbraw/zinc/84/90/21/378849021.db2.gz KLCFACVADFACFW-GFCCVEGCSA-N 2 1 277.368 2.648 20 5 CFBDMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000173344827 379728294 /nfs/dbraw/zinc/72/82/94/379728294.db2.gz WVVHFFAWHJYIIX-KBPBESRZSA-N 2 1 291.395 2.977 20 5 CFBDMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000173344827 379728299 /nfs/dbraw/zinc/72/82/99/379728299.db2.gz WVVHFFAWHJYIIX-KBPBESRZSA-N 2 1 291.395 2.977 20 5 CFBDMP Cc1ccc(C[N@H+](C)[C@@H]2CCN(C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000290521888 381464469 /nfs/dbraw/zinc/46/44/69/381464469.db2.gz QBOLFXUIYXMWMG-DZGCQCFKSA-N 2 1 291.395 2.675 20 5 CFBDMP Cc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000290521888 381464470 /nfs/dbraw/zinc/46/44/70/381464470.db2.gz QBOLFXUIYXMWMG-DZGCQCFKSA-N 2 1 291.395 2.675 20 5 CFBDMP Cc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000290521888 381464471 /nfs/dbraw/zinc/46/44/71/381464471.db2.gz QBOLFXUIYXMWMG-DZGCQCFKSA-N 2 1 291.395 2.675 20 5 CFBDMP Cc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000290521888 381464477 /nfs/dbraw/zinc/46/44/77/381464477.db2.gz QBOLFXUIYXMWMG-DZGCQCFKSA-N 2 1 291.395 2.675 20 5 CFBDMP Cc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000290521888 381464481 /nfs/dbraw/zinc/46/44/81/381464481.db2.gz QBOLFXUIYXMWMG-DZGCQCFKSA-N 2 1 291.395 2.675 20 5 CFBDMP [NH3+]C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000414856722 381610392 /nfs/dbraw/zinc/61/03/92/381610392.db2.gz ZJQCFBSHYRRHCL-OAHLLOKOSA-N 2 1 277.368 2.592 20 5 CFBDMP C[C@@H](C[NH3+])[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414938396 381629089 /nfs/dbraw/zinc/62/90/89/381629089.db2.gz FKCAYXVTNLAMDT-JTQLQIEISA-N 2 1 291.376 2.760 20 5 CFBDMP CC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCC[NH+](C)C ZINC000349413133 381928631 /nfs/dbraw/zinc/92/86/31/381928631.db2.gz CTDHRPDOKZBXRR-YFHOEESVSA-N 2 1 291.395 2.882 20 5 CFBDMP CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCC[NH+](C)C ZINC000349413133 381928635 /nfs/dbraw/zinc/92/86/35/381928635.db2.gz CTDHRPDOKZBXRR-YFHOEESVSA-N 2 1 291.395 2.882 20 5 CFBDMP CC[C@H]([NH2+]C[C@@H](C)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000293361096 382093171 /nfs/dbraw/zinc/09/31/71/382093171.db2.gz HKECBIQTIXBIFR-DOMZBBRYSA-N 2 1 279.384 2.833 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000420319802 382366968 /nfs/dbraw/zinc/36/69/68/382366968.db2.gz POASBYLIXRTGCZ-AGIUHOORSA-N 2 1 277.368 2.633 20 5 CFBDMP CC(C)(C[NH+]1CCCC1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000308631996 382481634 /nfs/dbraw/zinc/48/16/34/382481634.db2.gz DLGYCXZKPACMIE-UHFFFAOYSA-N 2 1 291.395 2.601 20 5 CFBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000449171905 383183067 /nfs/dbraw/zinc/18/30/67/383183067.db2.gz LEPMDNGRTWTEBN-NFAWXSAZSA-N 2 1 291.395 2.598 20 5 CFBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000449171905 383183072 /nfs/dbraw/zinc/18/30/72/383183072.db2.gz LEPMDNGRTWTEBN-NFAWXSAZSA-N 2 1 291.395 2.598 20 5 CFBDMP CC[NH2+]CCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000572951359 383844482 /nfs/dbraw/zinc/84/44/82/383844482.db2.gz HPAMXYNQCNKAEO-LBPRGKRZSA-N 2 1 265.357 2.553 20 5 CFBDMP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278888154 384599818 /nfs/dbraw/zinc/59/98/18/384599818.db2.gz YKDGFCAOSWSNDR-WBMJQRKESA-N 2 1 291.395 2.902 20 5 CFBDMP CC1(C)C[C@H]([NH2+]CC2([NH3+])CCC2)c2cc([N+](=O)[O-])ccc21 ZINC000423336102 394277716 /nfs/dbraw/zinc/27/77/16/394277716.db2.gz UQWVEBFWBQRWJT-AWEZNQCLSA-N 2 1 289.379 2.788 20 5 CFBDMP C[C@@H]1C[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000344610623 162079755 /nfs/dbraw/zinc/07/97/55/162079755.db2.gz AXBHVKDFBWOWQC-RLWBPUTGSA-N 2 1 289.379 2.680 20 5 CFBDMP O=[N+]([O-])c1cccc(C[NH2+]CCC[NH+]2CCCCC2)c1 ZINC000020128862 171016176 /nfs/dbraw/zinc/01/61/76/171016176.db2.gz YTPHUEMTSOGKDF-UHFFFAOYSA-N 2 1 277.368 2.560 20 5 CFBDMP CC(C)[NH+]1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000020189407 171056014 /nfs/dbraw/zinc/05/60/14/171056014.db2.gz GJVZXTJEYSZJPQ-UHFFFAOYSA-N 2 1 277.368 2.557 20 5 CFBDMP Cc1c(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000397270847 270316618 /nfs/dbraw/zinc/31/66/18/270316618.db2.gz MUNGQJZXXXAOIX-XUJVJEKNSA-N 2 1 291.395 2.708 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000420290287 281021114 /nfs/dbraw/zinc/02/11/14/281021114.db2.gz LTIODRIFJPECIV-TYNCELHUSA-N 2 1 277.368 2.633 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000420290287 281021115 /nfs/dbraw/zinc/02/11/15/281021115.db2.gz LTIODRIFJPECIV-TYNCELHUSA-N 2 1 277.368 2.633 20 5 CFBDMP CC[NH2+]CCC[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000566088333 290346559 /nfs/dbraw/zinc/34/65/59/290346559.db2.gz RXKDGLXRUYNGRO-CQSZACIVSA-N 2 1 265.357 2.635 20 5 CFBDMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000245470767 519863764 /nfs/dbraw/zinc/86/37/64/519863764.db2.gz WVVHFFAWHJYIIX-ZIAGYGMSSA-N 2 1 291.395 2.977 20 5 CFBDMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000245470767 519863766 /nfs/dbraw/zinc/86/37/66/519863766.db2.gz WVVHFFAWHJYIIX-ZIAGYGMSSA-N 2 1 291.395 2.977 20 5 CFBDMP [NH3+]CC[C@H]1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000442920076 534654524 /nfs/dbraw/zinc/65/45/24/534654524.db2.gz GJPDKECVIVANKO-BTKRWWFXSA-N 2 1 289.379 2.669 20 5 CFBDMP CCC[C@H]([NH2+]CC(C)(C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000423281237 528215539 /nfs/dbraw/zinc/21/55/39/528215539.db2.gz BACOWJSRCALURC-ZDUSSCGKSA-N 2 1 265.357 2.763 20 5 CFBDMP CCC([NH3+])(CC)C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000414796035 528947725 /nfs/dbraw/zinc/94/77/25/528947725.db2.gz BNXTVBVOSWNBFP-CLFYSBASSA-N 2 1 277.368 2.715 20 5 CFBDMP CCCC[C@H](C[NH3+])[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000414811091 528952797 /nfs/dbraw/zinc/95/27/97/528952797.db2.gz IVBHJWSICJPSKC-IZPAUZPXSA-N 2 1 277.368 2.715 20 5 CFBDMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000261756937 618417998 /nfs/dbraw/zinc/41/79/98/618417998.db2.gz COXPQNWXPNRHNR-NSHDSACASA-N 2 1 297.786 2.809 20 5 CFBDMP C[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)c1ccccc1[N+](=O)[O-] ZINC000902431178 621077044 /nfs/dbraw/zinc/07/70/44/621077044.db2.gz SCVYAFLXINTSSC-WFASDCNBSA-N 2 1 289.379 2.573 20 5 CFBDMP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[NH2+]CC1(C)C ZINC000902450486 621091661 /nfs/dbraw/zinc/09/16/61/621091661.db2.gz SPCASIOEQQOZPA-DOMZBBRYSA-N 2 1 291.395 2.504 20 5 CFBDMP C[C@@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000903287784 621318966 /nfs/dbraw/zinc/31/89/66/621318966.db2.gz PYEAFUUMGYGPRW-XPKDYRNWSA-N 2 1 289.379 2.872 20 5 CFBDMP C[C@@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000903287784 621318971 /nfs/dbraw/zinc/31/89/71/621318971.db2.gz PYEAFUUMGYGPRW-XPKDYRNWSA-N 2 1 289.379 2.872 20 5 CFBDMP [NH3+]CCCCCCC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000903883753 621463800 /nfs/dbraw/zinc/46/38/00/621463800.db2.gz YZRPBZWGSZXVKF-UHFFFAOYSA-N 2 1 291.395 2.862 20 5 CFBDMP C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC000841034232 631315058 /nfs/dbraw/zinc/31/50/58/631315058.db2.gz WRBJIGOLPPEVJE-CMPLNLGQSA-N 2 1 297.786 2.726 20 5 CFBDMP O=[N+]([O-])c1cccc(C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000886865998 647163701 /nfs/dbraw/zinc/16/37/01/647163701.db2.gz ZYVFPPFGMPPABM-INIZCTEOSA-N 2 1 289.379 2.560 20 5 CFBDMP O=[N+]([O-])c1cccc(C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000886865998 647163705 /nfs/dbraw/zinc/16/37/05/647163705.db2.gz ZYVFPPFGMPPABM-INIZCTEOSA-N 2 1 289.379 2.560 20 5 CFBDMP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000414840251 529985348 /nfs/dbraw/zinc/98/53/48/529985348.db2.gz MVYDFFABPSKACY-GFCCVEGCSA-N 2 1 279.384 2.663 20 5 CFBDMP C[C@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H]1CC[NH3+] ZINC000404411539 348591034 /nfs/dbraw/zinc/59/10/34/348591034.db2.gz XWRFMUQMCUNIAL-BBRMVZONSA-N 2 1 291.395 2.587 20 5 CFBDMP C[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@@H]1CC[NH3+] ZINC000404365311 348591619 /nfs/dbraw/zinc/59/16/19/348591619.db2.gz PBDQALCERQTKDR-XHDPSFHLSA-N 2 1 295.358 2.683 20 5 CFBDMP C[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@@H]1CC[NH3+] ZINC000404365311 348591621 /nfs/dbraw/zinc/59/16/21/348591621.db2.gz PBDQALCERQTKDR-XHDPSFHLSA-N 2 1 295.358 2.683 20 5 CFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000593316197 349246411 /nfs/dbraw/zinc/24/64/11/349246411.db2.gz NAZWLHFJPQLPKE-MLGOLLRUSA-N 2 1 291.395 2.853 20 5 CFBDMP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000414910452 233396167 /nfs/dbraw/zinc/39/61/67/233396167.db2.gz CWBCAQVWSZUWCQ-MNOVXSKESA-N 2 1 283.759 2.608 20 5 CFBDMP Cc1cc([N+](=O)[O-])ccc1CNC[C@H]1CCCC[N@H+](C)C1 ZINC000598994388 350356866 /nfs/dbraw/zinc/35/68/66/350356866.db2.gz MAJDTRZZCKMZFT-CQSZACIVSA-N 2 1 291.395 2.725 20 5 CFBDMP Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000598994388 350356868 /nfs/dbraw/zinc/35/68/68/350356868.db2.gz MAJDTRZZCKMZFT-CQSZACIVSA-N 2 1 291.395 2.725 20 5 CFBDMP Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000598994388 350356869 /nfs/dbraw/zinc/35/68/69/350356869.db2.gz MAJDTRZZCKMZFT-CQSZACIVSA-N 2 1 291.395 2.725 20 5 CFBDMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000180459623 189256610 /nfs/dbraw/zinc/25/66/10/189256610.db2.gz VAPZNHIMJWXMGR-GXTWGEPZSA-N 2 1 277.368 2.730 20 5 CFBDMP C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000180459623 189256611 /nfs/dbraw/zinc/25/66/11/189256611.db2.gz VAPZNHIMJWXMGR-GXTWGEPZSA-N 2 1 277.368 2.730 20 5 CFBDMP Cc1c([C@H](C)[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000423383268 238424407 /nfs/dbraw/zinc/42/44/07/238424407.db2.gz PLIMCSVQNRXDFF-WCFLWFBJSA-N 2 1 277.368 2.694 20 5 CFBDMP CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435630133 240335089 /nfs/dbraw/zinc/33/50/89/240335089.db2.gz ZSJRVRHJLZLFPT-OAHLLOKOSA-N 2 1 291.395 2.601 20 5 CFBDMP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000037786582 372709443 /nfs/dbraw/zinc/70/94/43/372709443.db2.gz GKWGAOQABIILBQ-UHFFFAOYSA-N 2 1 291.395 2.947 20 5 CFBDMP C[C@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000062078326 373747614 /nfs/dbraw/zinc/74/76/14/373747614.db2.gz BTHIUCSEWZAAHQ-ZIAGYGMSSA-N 2 1 291.395 2.977 20 5 CFBDMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000266905057 190289489 /nfs/dbraw/zinc/28/94/89/190289489.db2.gz VCHWLXKIZYGSPC-GFCCVEGCSA-N 2 1 288.351 2.841 20 5 CFBDMP C[C@H](C[NH3+])[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000414925460 381612946 /nfs/dbraw/zinc/61/29/46/381612946.db2.gz HZMDLYKJPTYLPB-SNVBAGLBSA-N 2 1 291.376 2.760 20 5 CFBDMP O=[N+]([O-])c1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cc1 ZINC000299470007 381954517 /nfs/dbraw/zinc/95/45/17/381954517.db2.gz AHOLKWBDONIQDD-UHFFFAOYSA-N 2 1 289.379 2.701 20 5 CFBDMP Cc1ccc([C@H](C)[NH2+]C[C@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000293722726 382251229 /nfs/dbraw/zinc/25/12/29/382251229.db2.gz PRDTUXPHVMDSLP-AAEUAGOBSA-N 2 1 279.384 2.752 20 5 CFBDMP O=[N+]([O-])c1ccc(C[N@@H+](CC[C@@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000420358508 382382360 /nfs/dbraw/zinc/38/23/60/382382360.db2.gz JGTUUWWWOIUMFY-ZDUSSCGKSA-N 2 1 289.379 2.559 20 5 CFBDMP C[NH2+]C[C@H]1CC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000420297211 382347487 /nfs/dbraw/zinc/34/74/87/382347487.db2.gz RDMLFOPZUNHURX-CHWSQXEVSA-N 2 1 277.368 2.506 20 5 CFBDMP C[NH2+]C[C@H]1CC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000420297211 382347492 /nfs/dbraw/zinc/34/74/92/382347492.db2.gz RDMLFOPZUNHURX-CHWSQXEVSA-N 2 1 277.368 2.506 20 5 CFBDMP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000386367743 382588469 /nfs/dbraw/zinc/58/84/69/382588469.db2.gz OQJLEAYCSWPSBB-MELADBBJSA-N 2 1 289.379 2.587 20 5 CFBDMP Cc1c(CN[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000231884223 382867467 /nfs/dbraw/zinc/86/74/67/382867467.db2.gz AXNWHPCFQSVUSA-RISCZKNCSA-N 2 1 289.379 2.618 20 5 CFBDMP Cc1c(CN[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000231884223 382867468 /nfs/dbraw/zinc/86/74/68/382867468.db2.gz AXNWHPCFQSVUSA-RISCZKNCSA-N 2 1 289.379 2.618 20 5 CFBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000423515946 383125015 /nfs/dbraw/zinc/12/50/15/383125015.db2.gz XRDGWIFGGYHBPJ-IUODEOHRSA-N 2 1 291.395 2.633 20 5 CFBDMP CC(C)C[C@H](C[NH3+])[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000414851514 393806795 /nfs/dbraw/zinc/80/67/95/393806795.db2.gz OZLIHBOXGPRSDI-HZRUHFOJSA-N 2 1 277.368 2.571 20 5 CFBDMP CC(C)C[C@H](C[NH3+])[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423265337 394275323 /nfs/dbraw/zinc/27/53/23/394275323.db2.gz QUERPOLDCDTCNP-CJNGLKHVSA-N 2 1 291.395 2.935 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420406849 292296305 /nfs/dbraw/zinc/29/63/05/292296305.db2.gz OCHNFXOINFPZES-XBFCOCLRSA-N 2 1 291.395 2.881 20 5 CFBDMP C[N@H+]1CC=C(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000344368078 162024911 /nfs/dbraw/zinc/02/49/11/162024911.db2.gz VHGQDBKCHUXDSO-UHFFFAOYSA-N 2 1 295.770 2.600 20 5 CFBDMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000344368078 162024915 /nfs/dbraw/zinc/02/49/15/162024915.db2.gz VHGQDBKCHUXDSO-UHFFFAOYSA-N 2 1 295.770 2.600 20 5 CFBDMP CC[NH2+]CC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414847515 276266705 /nfs/dbraw/zinc/26/67/05/276266705.db2.gz OWAVEXIBXCIJES-DZGCQCFKSA-N 2 1 291.395 2.505 20 5 CFBDMP O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415038587 280363667 /nfs/dbraw/zinc/36/36/67/280363667.db2.gz HZUJLDVNDULHDI-GOEBONIOSA-N 2 1 289.379 2.559 20 5 CFBDMP O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415038587 280363668 /nfs/dbraw/zinc/36/36/68/280363668.db2.gz HZUJLDVNDULHDI-GOEBONIOSA-N 2 1 289.379 2.559 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000420309342 281022052 /nfs/dbraw/zinc/02/20/52/281022052.db2.gz FBPFORNKHHOHKM-WFASDCNBSA-N 2 1 277.368 2.635 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000420309342 281022053 /nfs/dbraw/zinc/02/20/53/281022053.db2.gz FBPFORNKHHOHKM-WFASDCNBSA-N 2 1 277.368 2.635 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000563153315 290109829 /nfs/dbraw/zinc/10/98/29/290109829.db2.gz RDESFFVHYMBFOU-QWHCGFSZSA-N 2 1 277.368 2.635 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000563153315 290109830 /nfs/dbraw/zinc/10/98/30/290109830.db2.gz RDESFFVHYMBFOU-QWHCGFSZSA-N 2 1 277.368 2.635 20 5 CFBDMP CC[NH2+]CCC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000584285660 325343509 /nfs/dbraw/zinc/34/35/09/325343509.db2.gz ZKOPWFYEXNDFOD-LBPRGKRZSA-N 2 1 265.357 2.553 20 5 CFBDMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc([N+](=O)[O-])c1 ZINC000422938169 533814881 /nfs/dbraw/zinc/81/48/81/533814881.db2.gz GTCFBPHALYJUIA-RAQOOLMWSA-N 2 1 275.352 2.528 20 5 CFBDMP Cc1ccc([C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000049553663 525739483 /nfs/dbraw/zinc/73/94/83/525739483.db2.gz STSSAUKYOCBMDB-QWHCGFSZSA-N 2 1 279.384 2.894 20 5 CFBDMP CC(C)c1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000414951786 528100328 /nfs/dbraw/zinc/10/03/28/528100328.db2.gz QDLXUDWBWXOJCF-GXTWGEPZSA-N 2 1 291.395 2.948 20 5 CFBDMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000742207139 574319131 /nfs/dbraw/zinc/31/91/31/574319131.db2.gz QZRJCOPCAIBAOS-UKRRQHHQSA-N 2 1 291.395 2.723 20 5 CFBDMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000742207139 574319134 /nfs/dbraw/zinc/31/91/34/574319134.db2.gz QZRJCOPCAIBAOS-UKRRQHHQSA-N 2 1 291.395 2.723 20 5 CFBDMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000093633677 619041576 /nfs/dbraw/zinc/04/15/76/619041576.db2.gz NXDUCHVQNYJEGX-LLVKDONJSA-N 2 1 297.786 2.809 20 5 CFBDMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000841059120 620423312 /nfs/dbraw/zinc/42/33/12/620423312.db2.gz XVWXPNQFHCXDNJ-VXGBXAGGSA-N 2 1 283.759 2.608 20 5 CFBDMP [NH3+][C@@H]1CC[C@H](C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000903455540 621388284 /nfs/dbraw/zinc/38/82/84/621388284.db2.gz ZICPDUYGFVXWSU-GXTWGEPZSA-N 2 1 289.379 2.687 20 5 CFBDMP C[C@@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC[C@H]1C[NH3+] ZINC000904410707 621591558 /nfs/dbraw/zinc/59/15/58/621591558.db2.gz FTONZDSFZHNKIM-CWNOIDMWSA-N 2 1 289.379 2.525 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923494808 626476850 /nfs/dbraw/zinc/47/68/50/626476850.db2.gz OVTFLFZYAWQPHT-RDBSUJKOSA-N 2 1 291.395 2.881 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923494806 626476940 /nfs/dbraw/zinc/47/69/40/626476940.db2.gz OVTFLFZYAWQPHT-IHRRRGAJSA-N 2 1 291.395 2.881 20 5 CFBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923498725 626477133 /nfs/dbraw/zinc/47/71/33/626477133.db2.gz JJJLHNZVKZBMHE-BZPMIXESSA-N 2 1 277.368 2.573 20 5 CFBDMP C[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C1CCC([NH3+])CC1 ZINC000843054737 631818828 /nfs/dbraw/zinc/81/88/28/631818828.db2.gz DVFPHXCXTRGXMY-UHFFFAOYSA-N 2 1 297.786 2.950 20 5 CFBDMP Cc1ccc([N+](=O)[O-])c(C)c1CN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000873060297 641998230 /nfs/dbraw/zinc/99/82/30/641998230.db2.gz HOXQDKBHVXQYRA-TZMCWYRMSA-N 2 1 291.395 2.784 20 5 CFBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000873060297 641998236 /nfs/dbraw/zinc/99/82/36/641998236.db2.gz HOXQDKBHVXQYRA-TZMCWYRMSA-N 2 1 291.395 2.784 20 5 CFBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000873060297 641998237 /nfs/dbraw/zinc/99/82/37/641998237.db2.gz HOXQDKBHVXQYRA-TZMCWYRMSA-N 2 1 291.395 2.784 20 5 CFBDMP C[NH+](C)C1(C)CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000931350984 649413456 /nfs/dbraw/zinc/41/34/56/649413456.db2.gz DETYLYMKCQCSDE-UHFFFAOYSA-N 2 1 291.395 2.553 20 5 CFBDMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000158486597 530064950 /nfs/dbraw/zinc/06/49/50/530064950.db2.gz YGBGHMNDVISGNQ-HOCLYGCPSA-N 2 1 289.379 2.511 20 5 CFBDMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000158486597 530064951 /nfs/dbraw/zinc/06/49/51/530064951.db2.gz YGBGHMNDVISGNQ-HOCLYGCPSA-N 2 1 289.379 2.511 20 5 CFBDMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000158486597 530064952 /nfs/dbraw/zinc/06/49/52/530064952.db2.gz YGBGHMNDVISGNQ-HOCLYGCPSA-N 2 1 289.379 2.511 20 5 CFBDMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000158486597 530064953 /nfs/dbraw/zinc/06/49/53/530064953.db2.gz YGBGHMNDVISGNQ-HOCLYGCPSA-N 2 1 289.379 2.511 20 5 CFBDMP Cc1ccc([C@H](C)[NH2+]CC2([NH3+])CCCC2)cc1[N+](=O)[O-] ZINC000596647757 349968016 /nfs/dbraw/zinc/96/80/16/349968016.db2.gz BBZIXCSQRNFEMA-LBPRGKRZSA-N 2 1 277.368 2.825 20 5 CFBDMP Cc1ccc([C@H](C)[NH2+]CCC[NH2+]C(C)C)cc1[N+](=O)[O-] ZINC000591577278 349031225 /nfs/dbraw/zinc/03/12/25/349031225.db2.gz LQRALJWXZITXEZ-ZDUSSCGKSA-N 2 1 279.384 2.942 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(C)([NH3+])CC1 ZINC000592485037 349127412 /nfs/dbraw/zinc/12/74/12/349127412.db2.gz OPNNLGZXECJWTM-LBPRGKRZSA-N 2 1 277.368 2.777 20 5 CFBDMP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000414808292 233359826 /nfs/dbraw/zinc/35/98/26/233359826.db2.gz SCWWRMNZEBZEGX-YGRLFVJLSA-N 2 1 297.786 2.855 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000156176596 188246827 /nfs/dbraw/zinc/24/68/27/188246827.db2.gz UPSXPRWLXUHSQJ-ZIAGYGMSSA-N 2 1 291.395 2.848 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000156176596 188246828 /nfs/dbraw/zinc/24/68/28/188246828.db2.gz UPSXPRWLXUHSQJ-ZIAGYGMSSA-N 2 1 291.395 2.848 20 5 CFBDMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000271813947 191343383 /nfs/dbraw/zinc/34/33/83/191343383.db2.gz BESRREJSRJJEAY-GFCCVEGCSA-N 2 1 275.352 2.507 20 5 CFBDMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000180459639 189256338 /nfs/dbraw/zinc/25/63/38/189256338.db2.gz VAPZNHIMJWXMGR-TZMCWYRMSA-N 2 1 277.368 2.730 20 5 CFBDMP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000180459639 189256339 /nfs/dbraw/zinc/25/63/39/189256339.db2.gz VAPZNHIMJWXMGR-TZMCWYRMSA-N 2 1 277.368 2.730 20 5 CFBDMP CCCC[NH+]1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000037149801 372655109 /nfs/dbraw/zinc/65/51/09/372655109.db2.gz DYOYSCNGKRKKAG-UHFFFAOYSA-N 2 1 291.395 2.949 20 5 CFBDMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000163262607 378963044 /nfs/dbraw/zinc/96/30/44/378963044.db2.gz RFWFKGHLCYYWFV-KBPBESRZSA-N 2 1 291.395 2.896 20 5 CFBDMP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358521090 380901277 /nfs/dbraw/zinc/90/12/77/380901277.db2.gz WWHDYXHSCDKBAD-ZDUSSCGKSA-N 2 1 289.379 2.731 20 5 CFBDMP Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000368318717 380989168 /nfs/dbraw/zinc/98/91/68/380989168.db2.gz NSFDMRABPKPEGP-HUUCEWRRSA-N 2 1 289.379 2.620 20 5 CFBDMP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000368318717 380989177 /nfs/dbraw/zinc/98/91/77/380989177.db2.gz NSFDMRABPKPEGP-HUUCEWRRSA-N 2 1 289.379 2.620 20 5 CFBDMP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000368318717 380989188 /nfs/dbraw/zinc/98/91/88/380989188.db2.gz NSFDMRABPKPEGP-HUUCEWRRSA-N 2 1 289.379 2.620 20 5 CFBDMP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415071995 381756233 /nfs/dbraw/zinc/75/62/33/381756233.db2.gz XGYLPTJTIAPPCA-OAHLLOKOSA-N 2 1 277.368 2.510 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000420287641 382341626 /nfs/dbraw/zinc/34/16/26/382341626.db2.gz IHGYCMQFGNKNGO-GFCCVEGCSA-N 2 1 279.384 2.881 20 5 CFBDMP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000423372722 383069866 /nfs/dbraw/zinc/06/98/66/383069866.db2.gz IPIIWINQKKAAGZ-KYOSRNDESA-N 2 1 277.368 2.776 20 5 CFBDMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000247123323 383145168 /nfs/dbraw/zinc/14/51/68/383145168.db2.gz RFWFKGHLCYYWFV-KGLIPLIRSA-N 2 1 291.395 2.896 20 5 CFBDMP CC[NH+]1CCC([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449065780 383158930 /nfs/dbraw/zinc/15/89/30/383158930.db2.gz WEOUBEHBNIVHRM-ZDUSSCGKSA-N 2 1 291.395 2.600 20 5 CFBDMP CC[NH+](CC)CCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000567405938 383272554 /nfs/dbraw/zinc/27/25/54/383272554.db2.gz AUHJLVRDDIWEJZ-OAHLLOKOSA-N 2 1 291.395 2.904 20 5 CFBDMP CC(C)[NH2+]CCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000567889920 383327266 /nfs/dbraw/zinc/32/72/66/383327266.db2.gz KCPYFXJHJIZHQS-GFCCVEGCSA-N 2 1 265.357 2.634 20 5 CFBDMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000531963643 383948981 /nfs/dbraw/zinc/94/89/81/383948981.db2.gz KKHLDMSDFREJDE-GFCCVEGCSA-N 2 1 288.351 2.759 20 5 CFBDMP CC(C)[N@@H+](C)CCCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000574583741 384118918 /nfs/dbraw/zinc/11/89/18/384118918.db2.gz NEXBUNYDAZNCAK-OAHLLOKOSA-N 2 1 291.395 2.902 20 5 CFBDMP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000574583741 384118920 /nfs/dbraw/zinc/11/89/20/384118920.db2.gz NEXBUNYDAZNCAK-OAHLLOKOSA-N 2 1 291.395 2.902 20 5 CFBDMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000574583741 384118922 /nfs/dbraw/zinc/11/89/22/384118922.db2.gz NEXBUNYDAZNCAK-OAHLLOKOSA-N 2 1 291.395 2.902 20 5 CFBDMP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cccc([N+](=O)[O-])c2)C1 ZINC000269139030 384730294 /nfs/dbraw/zinc/73/02/94/384730294.db2.gz ZOYOCFXJGBJNTM-ZBFHGGJFSA-N 2 1 289.379 2.511 20 5 CFBDMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cccc([N+](=O)[O-])c2)C1 ZINC000269139030 384730301 /nfs/dbraw/zinc/73/03/01/384730301.db2.gz ZOYOCFXJGBJNTM-ZBFHGGJFSA-N 2 1 289.379 2.511 20 5 CFBDMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2)C1 ZINC000269139030 384730309 /nfs/dbraw/zinc/73/03/09/384730309.db2.gz ZOYOCFXJGBJNTM-ZBFHGGJFSA-N 2 1 289.379 2.511 20 5 CFBDMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cccc([N+](=O)[O-])c2)C1 ZINC000269139030 384730318 /nfs/dbraw/zinc/73/03/18/384730318.db2.gz ZOYOCFXJGBJNTM-ZBFHGGJFSA-N 2 1 289.379 2.511 20 5 CFBDMP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284164986 385542753 /nfs/dbraw/zinc/54/27/53/385542753.db2.gz QCHVZBJODKBOKR-GFCCVEGCSA-N 2 1 294.399 2.560 20 5 CFBDMP CC[C@H]([NH2+]CCc1c[nH+]cn1C)c1cccc([N+](=O)[O-])c1 ZINC000276613440 385991842 /nfs/dbraw/zinc/99/18/42/385991842.db2.gz GYGCSLLBFKSQCS-HNNXBMFYSA-N 2 1 288.351 2.612 20 5 CFBDMP Cc1c([C@H](C)[NH2+]CCC[NH2+]C(C)C)cccc1[N+](=O)[O-] ZINC000519762671 394377560 /nfs/dbraw/zinc/37/75/60/394377560.db2.gz JIELOEYWCKDSIK-ZDUSSCGKSA-N 2 1 279.384 2.942 20 5 CFBDMP C[C@@H]1C[C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000344610621 162080582 /nfs/dbraw/zinc/08/05/82/162080582.db2.gz AXBHVKDFBWOWQC-LGVMCUBASA-N 2 1 289.379 2.680 20 5 CFBDMP CC(C)[NH+]1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000020189405 171055479 /nfs/dbraw/zinc/05/54/79/171055479.db2.gz VBBXQPBISDXKGK-UHFFFAOYSA-N 2 1 277.368 2.557 20 5 CFBDMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000044533981 175197336 /nfs/dbraw/zinc/19/73/36/175197336.db2.gz RDRTUFWWYROPOS-STQMWFEESA-N 2 1 277.368 2.587 20 5 CFBDMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000044533981 175197338 /nfs/dbraw/zinc/19/73/38/175197338.db2.gz RDRTUFWWYROPOS-STQMWFEESA-N 2 1 277.368 2.587 20 5 CFBDMP C[C@@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[C@H](C)[NH3+] ZINC000423472282 274261394 /nfs/dbraw/zinc/26/13/94/274261394.db2.gz QBBQURNERWQUEU-RBZYPMLTSA-N 2 1 277.368 2.643 20 5 CFBDMP CC(C)c1ccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000346649170 278036723 /nfs/dbraw/zinc/03/67/23/278036723.db2.gz GMRSUUJQTMHIQS-TZMCWYRMSA-N 2 1 291.395 2.887 20 5 CFBDMP CC(C)c1ccc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000346649170 278036724 /nfs/dbraw/zinc/03/67/24/278036724.db2.gz GMRSUUJQTMHIQS-TZMCWYRMSA-N 2 1 291.395 2.887 20 5 CFBDMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000423536033 278379637 /nfs/dbraw/zinc/37/96/37/278379637.db2.gz YXXQFPZEUDVEQK-IAQYHMDHSA-N 2 1 277.368 2.763 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000420309340 281020501 /nfs/dbraw/zinc/02/05/01/281020501.db2.gz FBPFORNKHHOHKM-IUODEOHRSA-N 2 1 277.368 2.635 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000420309340 281020505 /nfs/dbraw/zinc/02/05/05/281020505.db2.gz FBPFORNKHHOHKM-IUODEOHRSA-N 2 1 277.368 2.635 20 5 CFBDMP CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]CC1 ZINC000435393399 281235035 /nfs/dbraw/zinc/23/50/35/281235035.db2.gz ZKTHGMYJPSFJGM-CQSZACIVSA-N 2 1 277.368 2.559 20 5 CFBDMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1ccccc1[N+](=O)[O-] ZINC000575813053 322730571 /nfs/dbraw/zinc/73/05/71/322730571.db2.gz UWJOERFGYPIGDR-GFCCVEGCSA-N 2 1 288.351 2.612 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C ZINC000582115269 325177145 /nfs/dbraw/zinc/17/71/45/325177145.db2.gz GUCKYNGRUCYFPA-WCQYABFASA-N 2 1 279.384 2.752 20 5 CFBDMP [NH3+]C1(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCCCC1 ZINC000414840872 534548345 /nfs/dbraw/zinc/54/83/45/534548345.db2.gz KQPFKLQRNVOVFC-SOFGYWHQSA-N 2 1 289.379 2.859 20 5 CFBDMP CC[C@@H]([NH2+]CC1([NH3+])CCC1)c1cccc([N+](=O)[O-])c1 ZINC000423342593 529157659 /nfs/dbraw/zinc/15/76/59/529157659.db2.gz YYYMLKZRVRDAHM-CYBMUJFWSA-N 2 1 263.341 2.517 20 5 CFBDMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000742207141 574319242 /nfs/dbraw/zinc/31/92/42/574319242.db2.gz QZRJCOPCAIBAOS-ZFWWWQNUSA-N 2 1 291.395 2.723 20 5 CFBDMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000742207141 574319243 /nfs/dbraw/zinc/31/92/43/574319243.db2.gz QZRJCOPCAIBAOS-ZFWWWQNUSA-N 2 1 291.395 2.723 20 5 CFBDMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000897464885 620177052 /nfs/dbraw/zinc/17/70/52/620177052.db2.gz PXOKVIBPWQEIGA-MCIONIFRSA-N 2 1 291.395 2.771 20 5 CFBDMP CC(C)c1ccc(C[N@H+]2CC[C@@H](CC[NH3+])C2)cc1[N+](=O)[O-] ZINC000904411301 621592365 /nfs/dbraw/zinc/59/23/65/621592365.db2.gz UIBPIGZMDMGENK-CYBMUJFWSA-N 2 1 291.395 2.889 20 5 CFBDMP C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1C[NH3+] ZINC000923496425 626476537 /nfs/dbraw/zinc/47/65/37/626476537.db2.gz IDZHDERHMCPFTB-QWRGUYRKSA-N 2 1 297.786 2.665 20 5 CFBDMP O=[N+]([O-])c1ccc(C[NH2+]CCC[NH+]2CCCC2)cc1Cl ZINC000783653303 628731042 /nfs/dbraw/zinc/73/10/42/628731042.db2.gz QOKUWUZNTVHFDM-UHFFFAOYSA-N 2 1 297.786 2.824 20 5 CFBDMP Cc1ccc([N+](=O)[O-])c(C)c1CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000873060294 641998417 /nfs/dbraw/zinc/99/84/17/641998417.db2.gz HOXQDKBHVXQYRA-GXTWGEPZSA-N 2 1 291.395 2.784 20 5 CFBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000873060294 641998426 /nfs/dbraw/zinc/99/84/26/641998426.db2.gz HOXQDKBHVXQYRA-GXTWGEPZSA-N 2 1 291.395 2.784 20 5 CFBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000873060294 641998428 /nfs/dbraw/zinc/99/84/28/641998428.db2.gz HOXQDKBHVXQYRA-GXTWGEPZSA-N 2 1 291.395 2.784 20 5 CFBDMP Cc1c(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000873069560 642003243 /nfs/dbraw/zinc/00/32/43/642003243.db2.gz JYYLJZBRNCRHDF-LSDHHAIUSA-N 2 1 291.395 2.866 20 5 CFBDMP C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1CC[NH3+] ZINC000723892562 770708104 /nfs/dbraw/zinc/70/81/04/770708104.db2.gz RZRXTNVUBQQPFI-GHMZBOCLSA-N 2 1 297.786 2.665 20 5 CFBDMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1OCC[N+](C)(C)C ZINC001224772033 775269710 /nfs/dbraw/zinc/26/97/10/775269710.db2.gz WIAAUBQJHYNSRQ-AEFFLSMTSA-N 2 1 291.459 2.620 20 5 CFBDMP [NH3+]CCC1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000070188313 346907844 /nfs/dbraw/zinc/90/78/44/346907844.db2.gz DPVPQCWSZHMGNR-UHFFFAOYSA-N 2 1 297.786 2.809 20 5 CFBDMP C[C@@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)[C@@H]1CCC[NH3+] ZINC000595904639 349765327 /nfs/dbraw/zinc/76/53/27/349765327.db2.gz JMCCMRVHDMFCBX-DGCLKSJQSA-N 2 1 297.424 2.996 20 5 CFBDMP Cc1c(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cccc1[N+](=O)[O-] ZINC000404382697 348591180 /nfs/dbraw/zinc/59/11/80/348591180.db2.gz NCMZXYMDCYCQBX-DOMZBBRYSA-N 2 1 291.395 2.853 20 5 CFBDMP Cc1ccc(C[NH2+]CCC[N@@H+](C)CC(C)C)cc1[N+](=O)[O-] ZINC000593647068 349303649 /nfs/dbraw/zinc/30/36/49/349303649.db2.gz VRYSPMOVAUSUFM-UHFFFAOYSA-N 2 1 293.411 2.971 20 5 CFBDMP Cc1ccc(C[NH2+]CCC[N@H+](C)CC(C)C)cc1[N+](=O)[O-] ZINC000593647068 349303650 /nfs/dbraw/zinc/30/36/50/349303650.db2.gz VRYSPMOVAUSUFM-UHFFFAOYSA-N 2 1 293.411 2.971 20 5 CFBDMP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414833506 233371428 /nfs/dbraw/zinc/37/14/28/233371428.db2.gz FVPRUUYJKDQVRK-INIZCTEOSA-N 2 1 291.395 2.900 20 5 CFBDMP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000600680015 350596415 /nfs/dbraw/zinc/59/64/15/350596415.db2.gz QYWZQZICECNODV-VNHYZAJKSA-N 2 1 291.395 2.646 20 5 CFBDMP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000600680014 350596443 /nfs/dbraw/zinc/59/64/43/350596443.db2.gz QYWZQZICECNODV-UMVBOHGHSA-N 2 1 291.395 2.646 20 5 CFBDMP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000600680013 350596629 /nfs/dbraw/zinc/59/66/29/350596629.db2.gz QYWZQZICECNODV-NFAWXSAZSA-N 2 1 291.395 2.646 20 5 CFBDMP Cc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000422560807 237103008 /nfs/dbraw/zinc/10/30/08/237103008.db2.gz HQOKBVRUZXQMIH-IPYPFGDCSA-N 2 1 291.395 2.708 20 5 CFBDMP Cc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000422560807 237103013 /nfs/dbraw/zinc/10/30/13/237103013.db2.gz HQOKBVRUZXQMIH-IPYPFGDCSA-N 2 1 291.395 2.708 20 5 CFBDMP Cc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000422921088 237349670 /nfs/dbraw/zinc/34/96/70/237349670.db2.gz OTNZLHVMATYWFA-YXQSOJMXSA-N 2 1 289.379 2.837 20 5 CFBDMP CC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)[C@@H]1CCC[NH2+]CC1 ZINC000435613487 240331076 /nfs/dbraw/zinc/33/10/76/240331076.db2.gz KDQWEVOZVJTRPU-OAHLLOKOSA-N 2 1 291.395 2.867 20 5 CFBDMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000070171026 374137865 /nfs/dbraw/zinc/13/78/65/374137865.db2.gz HMZGWGASYFMYBO-LLVKDONJSA-N 2 1 297.786 2.809 20 5 CFBDMP Cc1c(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)cccc1[N+](=O)[O-] ZINC000128482613 377341105 /nfs/dbraw/zinc/34/11/05/377341105.db2.gz UKIKTYNNFCPQDO-CQSZACIVSA-N 2 1 279.384 2.708 20 5 CFBDMP Cc1c(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)cccc1[N+](=O)[O-] ZINC000128482613 377341115 /nfs/dbraw/zinc/34/11/15/377341115.db2.gz UKIKTYNNFCPQDO-CQSZACIVSA-N 2 1 279.384 2.708 20 5 CFBDMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000331089228 378631391 /nfs/dbraw/zinc/63/13/91/378631391.db2.gz UNRTZRYDVKGHOW-WFASDCNBSA-N 2 1 291.395 2.723 20 5 CFBDMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000331089228 378631398 /nfs/dbraw/zinc/63/13/98/378631398.db2.gz UNRTZRYDVKGHOW-WFASDCNBSA-N 2 1 291.395 2.723 20 5 CFBDMP CC[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000293361103 382093972 /nfs/dbraw/zinc/09/39/72/382093972.db2.gz HKECBIQTIXBIFR-SWLSCSKDSA-N 2 1 279.384 2.833 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000420314336 382362408 /nfs/dbraw/zinc/36/24/08/382362408.db2.gz VOZSHEFNIRAPBG-GVAFMPQTSA-N 2 1 289.379 2.633 20 5 CFBDMP [NH3+]CCC[N@H+](Cc1cccc([N+](=O)[O-])c1)CC1CCCC1 ZINC000352519935 382378276 /nfs/dbraw/zinc/37/82/76/382378276.db2.gz SXBDWNKSTCAZFI-UHFFFAOYSA-N 2 1 291.395 2.936 20 5 CFBDMP O=[N+]([O-])c1cccc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)c1 ZINC000220363023 382796013 /nfs/dbraw/zinc/79/60/13/382796013.db2.gz GEBJYNNBTPBDMC-CQSZACIVSA-N 2 1 289.379 2.559 20 5 CFBDMP O=[N+]([O-])c1cccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)c1 ZINC000220363023 382796014 /nfs/dbraw/zinc/79/60/14/382796014.db2.gz GEBJYNNBTPBDMC-CQSZACIVSA-N 2 1 289.379 2.559 20 5 CFBDMP Cc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000423358701 383062798 /nfs/dbraw/zinc/06/27/98/383062798.db2.gz JTSSAZYWZRRDQY-GXTWGEPZSA-N 2 1 277.368 2.696 20 5 CFBDMP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000423372723 383069800 /nfs/dbraw/zinc/06/98/00/383069800.db2.gz IPIIWINQKKAAGZ-LNSITVRQSA-N 2 1 277.368 2.776 20 5 CFBDMP CCC[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000423448139 383099568 /nfs/dbraw/zinc/09/95/68/383099568.db2.gz PTTTVXYKVGLYCM-GYSYKLTISA-N 2 1 265.357 2.761 20 5 CFBDMP C[NH+](C)[C@@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000277154737 384216633 /nfs/dbraw/zinc/21/66/33/384216633.db2.gz JVBXAOVDPOMTMD-OAHLLOKOSA-N 2 1 291.395 2.553 20 5 CFBDMP C[N@H+](CCC[NH+]1CCCC1)CCc1ccc([N+](=O)[O-])cc1 ZINC000281189821 385186906 /nfs/dbraw/zinc/18/69/06/385186906.db2.gz BQQTYQHIAWOCHT-UHFFFAOYSA-N 2 1 291.395 2.555 20 5 CFBDMP C[N@@H+](CCC[NH+]1CCCC1)CCc1ccc([N+](=O)[O-])cc1 ZINC000281189821 385186914 /nfs/dbraw/zinc/18/69/14/385186914.db2.gz BQQTYQHIAWOCHT-UHFFFAOYSA-N 2 1 291.395 2.555 20 5 CFBDMP CC(C)c1ccc(C[N@H+](C)C2CC([NH3+])C2)cc1[N+](=O)[O-] ZINC000414782604 393805780 /nfs/dbraw/zinc/80/57/80/393805780.db2.gz XVNHKELFEBEXFT-UHFFFAOYSA-N 2 1 277.368 2.640 20 5 CFBDMP CC(C)c1ccc(C[N@@H+](C)C2CC([NH3+])C2)cc1[N+](=O)[O-] ZINC000414782604 393805784 /nfs/dbraw/zinc/80/57/84/393805784.db2.gz XVNHKELFEBEXFT-UHFFFAOYSA-N 2 1 277.368 2.640 20 5 CFBDMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000251312630 393931460 /nfs/dbraw/zinc/93/14/60/393931460.db2.gz KJTLKXGJKUQJKC-TZMCWYRMSA-N 2 1 279.384 2.961 20 5 CFBDMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000251312630 393931465 /nfs/dbraw/zinc/93/14/65/393931465.db2.gz KJTLKXGJKUQJKC-TZMCWYRMSA-N 2 1 279.384 2.961 20 5 CFBDMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000451104160 394357325 /nfs/dbraw/zinc/35/73/25/394357325.db2.gz PVBRRMPJKXCQHN-JSGCOSHPSA-N 2 1 277.368 2.730 20 5 CFBDMP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000451104160 394357327 /nfs/dbraw/zinc/35/73/27/394357327.db2.gz PVBRRMPJKXCQHN-JSGCOSHPSA-N 2 1 277.368 2.730 20 5 CFBDMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@H]2CCC[C@H]21 ZINC000375801582 157287282 /nfs/dbraw/zinc/28/72/82/157287282.db2.gz LYOURIGMBOJKPL-OWCLPIDISA-N 2 1 289.379 2.557 20 5 CFBDMP C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285497308 196304918 /nfs/dbraw/zinc/30/49/18/196304918.db2.gz MKWKGOBPXWESJL-XYPWUTKMSA-N 2 1 289.379 2.652 20 5 CFBDMP C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285497308 196304919 /nfs/dbraw/zinc/30/49/19/196304919.db2.gz MKWKGOBPXWESJL-XYPWUTKMSA-N 2 1 289.379 2.652 20 5 CFBDMP C[NH+](Cc1ccc([N+](=O)[O-])cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285497308 196304920 /nfs/dbraw/zinc/30/49/20/196304920.db2.gz MKWKGOBPXWESJL-XYPWUTKMSA-N 2 1 289.379 2.652 20 5 CFBDMP C[NH+](Cc1ccc([N+](=O)[O-])cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285497308 196304921 /nfs/dbraw/zinc/30/49/21/196304921.db2.gz MKWKGOBPXWESJL-XYPWUTKMSA-N 2 1 289.379 2.652 20 5 CFBDMP CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC[NH2+]CC1 ZINC000037538962 173258537 /nfs/dbraw/zinc/25/85/37/173258537.db2.gz YYCRRVLIVUOVKR-UHFFFAOYSA-N 2 1 277.368 2.559 20 5 CFBDMP Cc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000040623004 174356082 /nfs/dbraw/zinc/35/60/82/174356082.db2.gz QPNVPCVLIIJGLY-HNNXBMFYSA-N 2 1 291.395 2.723 20 5 CFBDMP Cc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000040623004 174356083 /nfs/dbraw/zinc/35/60/83/174356083.db2.gz QPNVPCVLIIJGLY-HNNXBMFYSA-N 2 1 291.395 2.723 20 5 CFBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCC[NH+]1CCC1 ZINC000514953474 270358972 /nfs/dbraw/zinc/35/89/72/270358972.db2.gz XDBAMEWUIHGNQT-SDNWHVSQSA-N 2 1 289.379 2.684 20 5 CFBDMP C[C@@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[C@H](C)[NH3+] ZINC000423472280 274256166 /nfs/dbraw/zinc/25/61/66/274256166.db2.gz QBBQURNERWQUEU-IMSIIYSGSA-N 2 1 277.368 2.643 20 5 CFBDMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000414181084 278348486 /nfs/dbraw/zinc/34/84/86/278348486.db2.gz MMLJJJYWOUBHIY-ZIAGYGMSSA-N 2 1 291.395 2.977 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000420309339 281020295 /nfs/dbraw/zinc/02/02/95/281020295.db2.gz FBPFORNKHHOHKM-DOMZBBRYSA-N 2 1 277.368 2.635 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000420309339 281020298 /nfs/dbraw/zinc/02/02/98/281020298.db2.gz FBPFORNKHHOHKM-DOMZBBRYSA-N 2 1 277.368 2.635 20 5 CFBDMP CC[NH2+]CCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000582719802 325228050 /nfs/dbraw/zinc/22/80/50/325228050.db2.gz QFSCEZMDRDXSHP-HNNXBMFYSA-N 2 1 277.368 2.561 20 5 CFBDMP CC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1 ZINC000435622711 535790286 /nfs/dbraw/zinc/79/02/86/535790286.db2.gz AEDDRASREPLNII-CQSZACIVSA-N 2 1 277.368 2.559 20 5 CFBDMP CC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1 ZINC000435622711 535790288 /nfs/dbraw/zinc/79/02/88/535790288.db2.gz AEDDRASREPLNII-CQSZACIVSA-N 2 1 277.368 2.559 20 5 CFBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC[C@@H](C)[NH+](C)C ZINC000895290948 618511941 /nfs/dbraw/zinc/51/19/41/618511941.db2.gz WVFDXHLLWJIAPB-GFCCVEGCSA-N 2 1 279.384 2.641 20 5 CFBDMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000897464886 620176980 /nfs/dbraw/zinc/17/69/80/620176980.db2.gz PXOKVIBPWQEIGA-MGPQQGTHSA-N 2 1 291.395 2.771 20 5 CFBDMP C[C@@H]([NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])[C@H]1CCCC[NH2+]1 ZINC000902432729 621078208 /nfs/dbraw/zinc/07/82/08/621078208.db2.gz XAMDMSRMMSPFIP-UMVBOHGHSA-N 2 1 291.395 2.819 20 5 CFBDMP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[NH2+]CC1(C)C ZINC000902450494 621091370 /nfs/dbraw/zinc/09/13/70/621091370.db2.gz SPCASIOEQQOZPA-WFASDCNBSA-N 2 1 291.395 2.504 20 5 CFBDMP C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1CC[NH3+] ZINC000903497312 621395507 /nfs/dbraw/zinc/39/55/07/621395507.db2.gz VINCIAWWUSXVGH-GHMZBOCLSA-N 2 1 297.786 2.665 20 5 CFBDMP C[C@@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC[C@H]1C[NH3+] ZINC000904410708 621591983 /nfs/dbraw/zinc/59/19/83/621591983.db2.gz FTONZDSFZHNKIM-HNLSUCLVSA-N 2 1 289.379 2.525 20 5 CFBDMP C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[C@H]1C[NH3+] ZINC000904411996 621593510 /nfs/dbraw/zinc/59/35/10/621593510.db2.gz YUXCITHDBUVPSA-JQWIXIFHSA-N 2 1 297.786 2.665 20 5 CFBDMP Cc1c(C[N@H+]2CCCC[C@H]2CC[NH3+])cccc1[N+](=O)[O-] ZINC000070149477 625273746 /nfs/dbraw/zinc/27/37/46/625273746.db2.gz JBXDERMQLQNNBT-AWEZNQCLSA-N 2 1 277.368 2.607 20 5 CFBDMP C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC[C@@H]1C[NH3+] ZINC000923499204 626477488 /nfs/dbraw/zinc/47/74/88/626477488.db2.gz RHHBADVGRISYGJ-WDEREUQCSA-N 2 1 297.786 2.665 20 5 CFBDMP C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C1CCC([NH3+])CC1 ZINC000843055538 626549533 /nfs/dbraw/zinc/54/95/33/626549533.db2.gz GLMGKOHGSYCXGV-UHFFFAOYSA-N 2 1 297.786 2.950 20 5 CFBDMP C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC000841034247 631314764 /nfs/dbraw/zinc/31/47/64/631314764.db2.gz WRBJIGOLPPEVJE-ZYHUDNBSSA-N 2 1 297.786 2.726 20 5 CFBDMP C[N@H+](Cc1c2ccccc2cc2ccccc21)C[C@H](O)C[NH3+] ZINC000841093938 631338768 /nfs/dbraw/zinc/33/87/68/631338768.db2.gz VUPHOCYXBIAZPE-MRXNPFEDSA-N 2 1 294.398 2.744 20 5 CFBDMP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872054605 641589680 /nfs/dbraw/zinc/58/96/80/641589680.db2.gz ZPTCJFLKDSZHPI-NSHDSACASA-N 2 1 293.342 2.646 20 5 CFBDMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872054605 641589684 /nfs/dbraw/zinc/58/96/84/641589684.db2.gz ZPTCJFLKDSZHPI-NSHDSACASA-N 2 1 293.342 2.646 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872153451 641674099 /nfs/dbraw/zinc/67/40/99/641674099.db2.gz AMOUZIPBGARGHJ-HEHGZKQESA-N 2 1 289.379 2.506 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872153451 641674104 /nfs/dbraw/zinc/67/41/04/641674104.db2.gz AMOUZIPBGARGHJ-HEHGZKQESA-N 2 1 289.379 2.506 20 5 CFBDMP Cc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000873253487 642098751 /nfs/dbraw/zinc/09/87/51/642098751.db2.gz YKZDILLORVTQMI-ZIAGYGMSSA-N 2 1 277.368 2.653 20 5 CFBDMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000925571425 648222754 /nfs/dbraw/zinc/22/27/54/648222754.db2.gz HSZCDYXJKKCLLL-BBRMVZONSA-N 2 1 291.395 2.648 20 5 CFBDMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000925630110 648250214 /nfs/dbraw/zinc/25/02/14/648250214.db2.gz QYEAFGTWERAORU-GWCFXTLKSA-N 2 1 297.786 2.521 20 5 CFBDMP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)c1ccccc1[N+](=O)[O-] ZINC000925635553 648253675 /nfs/dbraw/zinc/25/36/75/648253675.db2.gz NWVZRTIZEUTHRR-GDLCADMTSA-N 2 1 275.352 2.515 20 5 CFBDMP C[N@@H+](CCCCCC[NH3+])Cc1ccc([N+](=O)[O-])cc1F ZINC000710694767 781334790 /nfs/dbraw/zinc/33/47/90/781334790.db2.gz QAJXFCKETGPUTK-UHFFFAOYSA-N 2 1 283.347 2.685 20 5 CFBDMP CC[C@H]([NH2+]CC1([NH3+])CCC1)c1cccc([N+](=O)[O-])c1 ZINC000423342594 529591991 /nfs/dbraw/zinc/59/19/91/529591991.db2.gz YYYMLKZRVRDAHM-ZDUSSCGKSA-N 2 1 263.341 2.517 20 5 CFBDMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000338011165 282206223 /nfs/dbraw/zinc/20/62/23/282206223.db2.gz HKGADBPNRNZNDB-GFCCVEGCSA-N 2 1 288.351 2.841 20 5 CFBDMP Cc1ccc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc1[N+](=O)[O-] ZINC000591282797 349006099 /nfs/dbraw/zinc/00/60/99/349006099.db2.gz RHKFVGJPCVBPTN-AWEZNQCLSA-N 2 1 289.379 2.668 20 5 CFBDMP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000591275639 349006419 /nfs/dbraw/zinc/00/64/19/349006419.db2.gz NSLQQEMVQUVTBG-ZFWWWQNUSA-N 2 1 291.395 2.648 20 5 CFBDMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000414170018 233185945 /nfs/dbraw/zinc/18/59/45/233185945.db2.gz BLPUCVHDNPXRRD-KBPBESRZSA-N 2 1 291.395 2.977 20 5 CFBDMP C[C@@H](NC[C@@H]1CCCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000599070033 350370053 /nfs/dbraw/zinc/37/00/53/350370053.db2.gz JOZKRORIJBJQFN-KGLIPLIRSA-N 2 1 291.395 2.977 20 5 CFBDMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000599070033 350370062 /nfs/dbraw/zinc/37/00/62/350370062.db2.gz JOZKRORIJBJQFN-KGLIPLIRSA-N 2 1 291.395 2.977 20 5 CFBDMP Cc1c([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cccc1[N+](=O)[O-] ZINC000271807965 191340917 /nfs/dbraw/zinc/34/09/17/191340917.db2.gz ADSNAQPLHQWSSN-ZDUSSCGKSA-N 2 1 289.379 2.816 20 5 CFBDMP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000423329593 238380508 /nfs/dbraw/zinc/38/05/08/238380508.db2.gz MXBJVZHUIIZKJQ-SWLSCSKDSA-N 2 1 277.368 2.635 20 5 CFBDMP Cc1c(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cccc1[N+](=O)[O-] ZINC000118842799 376319465 /nfs/dbraw/zinc/31/94/65/376319465.db2.gz APRBRPUQRMJUGH-CQSZACIVSA-N 2 1 291.395 2.677 20 5 CFBDMP Cc1c(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cccc1[N+](=O)[O-] ZINC000118842799 376319473 /nfs/dbraw/zinc/31/94/73/376319473.db2.gz APRBRPUQRMJUGH-CQSZACIVSA-N 2 1 291.395 2.677 20 5 CFBDMP Cc1c(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000118842799 376319476 /nfs/dbraw/zinc/31/94/76/376319476.db2.gz APRBRPUQRMJUGH-CQSZACIVSA-N 2 1 291.395 2.677 20 5 CFBDMP Cc1c(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000118842799 376319479 /nfs/dbraw/zinc/31/94/79/376319479.db2.gz APRBRPUQRMJUGH-CQSZACIVSA-N 2 1 291.395 2.677 20 5 CFBDMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000347235001 381019748 /nfs/dbraw/zinc/01/97/48/381019748.db2.gz ZYYRYDAIHSELJS-ZDSVCRJJSA-N 2 1 289.379 2.667 20 5 CFBDMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000347235001 381019754 /nfs/dbraw/zinc/01/97/54/381019754.db2.gz ZYYRYDAIHSELJS-ZDSVCRJJSA-N 2 1 289.379 2.667 20 5 CFBDMP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415071993 381755634 /nfs/dbraw/zinc/75/56/34/381755634.db2.gz XGYLPTJTIAPPCA-HNNXBMFYSA-N 2 1 277.368 2.510 20 5 CFBDMP [NH3+]C[C@@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000415071573 381755939 /nfs/dbraw/zinc/75/59/39/381755939.db2.gz WOYFIDXKKMJZMF-HMZQOCAUSA-N 2 1 289.379 2.715 20 5 CFBDMP C[C@@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000415128970 381796686 /nfs/dbraw/zinc/79/66/86/381796686.db2.gz OZAVTSLIQZKFES-CWNOIDMWSA-N 2 1 289.379 2.525 20 5 CFBDMP C[C@@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000415128970 381796690 /nfs/dbraw/zinc/79/66/90/381796690.db2.gz OZAVTSLIQZKFES-CWNOIDMWSA-N 2 1 289.379 2.525 20 5 CFBDMP C[NH+](C)CCC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417297706 382034132 /nfs/dbraw/zinc/03/41/32/382034132.db2.gz JHKZQOPHGBWMSA-INIZCTEOSA-N 2 1 291.395 2.904 20 5 CFBDMP Cc1ccc([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000344293788 382256529 /nfs/dbraw/zinc/25/65/29/382256529.db2.gz RBTXMDUEIUPCBL-CYBMUJFWSA-N 2 1 289.379 2.816 20 5 CFBDMP Cc1ccc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000346692855 382475659 /nfs/dbraw/zinc/47/56/59/382475659.db2.gz JJOZBFFNRSAADC-AWEZNQCLSA-N 2 1 279.384 2.708 20 5 CFBDMP Cc1ccc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000346692855 382475664 /nfs/dbraw/zinc/47/56/64/382475664.db2.gz JJOZBFFNRSAADC-AWEZNQCLSA-N 2 1 279.384 2.708 20 5 CFBDMP Cc1ccc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000346692856 382476798 /nfs/dbraw/zinc/47/67/98/382476798.db2.gz JJOZBFFNRSAADC-CQSZACIVSA-N 2 1 279.384 2.708 20 5 CFBDMP Cc1ccc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000346692856 382476805 /nfs/dbraw/zinc/47/68/05/382476805.db2.gz JJOZBFFNRSAADC-CQSZACIVSA-N 2 1 279.384 2.708 20 5 CFBDMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000346693379 382478057 /nfs/dbraw/zinc/47/80/57/382478057.db2.gz MRZAASLRAXXNNB-PMGBHYCQSA-N 2 1 291.395 2.913 20 5 CFBDMP C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC(C)(C)C[NH3+] ZINC000346693911 382478274 /nfs/dbraw/zinc/47/82/74/382478274.db2.gz QNAYBJHSTOZEKJ-VURMDHGXSA-N 2 1 277.368 2.525 20 5 CFBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000386367742 382588235 /nfs/dbraw/zinc/58/82/35/382588235.db2.gz OQJLEAYCSWPSBB-MCIONIFRSA-N 2 1 289.379 2.587 20 5 CFBDMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000251338662 383386934 /nfs/dbraw/zinc/38/69/34/383386934.db2.gz PROVUIDREKXPSV-DOMZBBRYSA-N 2 1 279.384 2.961 20 5 CFBDMP C[C@@]1(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CC[NH2+]C1 ZINC000262005503 383593570 /nfs/dbraw/zinc/59/35/70/383593570.db2.gz LUQJJMGCKZBBPK-MRXNPFEDSA-N 2 1 289.379 2.559 20 5 CFBDMP C[C@@]1(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CC[NH2+]C1 ZINC000262005503 383593572 /nfs/dbraw/zinc/59/35/72/383593572.db2.gz LUQJJMGCKZBBPK-MRXNPFEDSA-N 2 1 289.379 2.559 20 5 CFBDMP C[C@H]1CC2(C[N@H+]1Cc1ccccc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000572713242 383809201 /nfs/dbraw/zinc/80/92/01/383809201.db2.gz YGVSBACFHABEBQ-ZDUSSCGKSA-N 2 1 289.379 2.559 20 5 CFBDMP CC(C)c1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000414951788 393808601 /nfs/dbraw/zinc/80/86/01/393808601.db2.gz QDLXUDWBWXOJCF-JSGCOSHPSA-N 2 1 291.395 2.948 20 5 CFBDMP C[C@H]([NH3+])[C@H](C)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423472256 394283550 /nfs/dbraw/zinc/28/35/50/394283550.db2.gz QBBQURNERWQUEU-BHDSKKPTSA-N 2 1 277.368 2.643 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000158174645 394355001 /nfs/dbraw/zinc/35/50/01/394355001.db2.gz DKERQGRKQQGHCD-KGLIPLIRSA-N 2 1 291.395 2.896 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000158174645 394355003 /nfs/dbraw/zinc/35/50/03/394355003.db2.gz DKERQGRKQQGHCD-KGLIPLIRSA-N 2 1 291.395 2.896 20 5 CFBDMP Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000575600594 395091274 /nfs/dbraw/zinc/09/12/74/395091274.db2.gz XLVMVKBRWCYCTM-CQSZACIVSA-N 2 1 291.395 2.723 20 5 CFBDMP Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000575600594 395091275 /nfs/dbraw/zinc/09/12/75/395091275.db2.gz XLVMVKBRWCYCTM-CQSZACIVSA-N 2 1 291.395 2.723 20 5 CFBDMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@@H]2CCC[C@@H]21 ZINC000375801581 157287317 /nfs/dbraw/zinc/28/73/17/157287317.db2.gz LYOURIGMBOJKPL-JYJNAYRXSA-N 2 1 289.379 2.557 20 5 CFBDMP CCC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)C1CC[NH2+]CC1 ZINC000037539302 173260029 /nfs/dbraw/zinc/26/00/29/173260029.db2.gz SRZQLNQIRIVBNO-UHFFFAOYSA-N 2 1 291.395 2.867 20 5 CFBDMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000044533985 175198054 /nfs/dbraw/zinc/19/80/54/175198054.db2.gz RDRTUFWWYROPOS-QWHCGFSZSA-N 2 1 277.368 2.587 20 5 CFBDMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000044533985 175198056 /nfs/dbraw/zinc/19/80/56/175198056.db2.gz RDRTUFWWYROPOS-QWHCGFSZSA-N 2 1 277.368 2.587 20 5 CFBDMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC[NH2+]1 ZINC000332309362 274406417 /nfs/dbraw/zinc/40/64/17/274406417.db2.gz OXBGGBMIIFJNCL-AXAPSJFSSA-N 2 1 289.379 2.702 20 5 CFBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000449171906 279382454 /nfs/dbraw/zinc/38/24/54/279382454.db2.gz LEPMDNGRTWTEBN-UMVBOHGHSA-N 2 1 291.395 2.598 20 5 CFBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000449171906 279382455 /nfs/dbraw/zinc/38/24/55/279382455.db2.gz LEPMDNGRTWTEBN-UMVBOHGHSA-N 2 1 291.395 2.598 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000563153316 290109707 /nfs/dbraw/zinc/10/97/07/290109707.db2.gz RDESFFVHYMBFOU-STQMWFEESA-N 2 1 277.368 2.635 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000563153316 290109710 /nfs/dbraw/zinc/10/97/10/290109710.db2.gz RDESFFVHYMBFOU-STQMWFEESA-N 2 1 277.368 2.635 20 5 CFBDMP CC[NH+]1CCC([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000566474191 290390604 /nfs/dbraw/zinc/39/06/04/290390604.db2.gz FPYQCQRQTWTXPF-OAHLLOKOSA-N 2 1 289.379 2.656 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](C)C[NH+](C)C ZINC000582115267 325176783 /nfs/dbraw/zinc/17/67/83/325176783.db2.gz GUCKYNGRUCYFPA-AAEUAGOBSA-N 2 1 279.384 2.752 20 5 CFBDMP [NH3+]C1(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCCCC1 ZINC000414840876 534547706 /nfs/dbraw/zinc/54/77/06/534547706.db2.gz KQPFKLQRNVOVFC-VURMDHGXSA-N 2 1 289.379 2.859 20 5 CFBDMP [NH3+]C1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCCCC1 ZINC000414861872 534549092 /nfs/dbraw/zinc/54/90/92/534549092.db2.gz TZPOPDKSYDGKKX-UHFFFAOYSA-N 2 1 277.368 2.736 20 5 CFBDMP CC[NH+]1CCC([N@H+](C)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000077248641 521562726 /nfs/dbraw/zinc/56/27/26/521562726.db2.gz BIRPNMKEUOCELQ-UHFFFAOYSA-N 2 1 291.395 2.553 20 5 CFBDMP CC[NH+]1CCC([N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000077248641 521562730 /nfs/dbraw/zinc/56/27/30/521562730.db2.gz BIRPNMKEUOCELQ-UHFFFAOYSA-N 2 1 291.395 2.553 20 5 CFBDMP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000049553704 524170155 /nfs/dbraw/zinc/17/01/55/524170155.db2.gz MHQWFQVFEKAPSS-VXGBXAGGSA-N 2 1 265.357 2.586 20 5 CFBDMP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000049553701 524478352 /nfs/dbraw/zinc/47/83/52/524478352.db2.gz MHQWFQVFEKAPSS-RYUDHWBXSA-N 2 1 265.357 2.586 20 5 CFBDMP CCC[C@H]([NH2+]CC1([NH3+])CCC1)c1cccc([N+](=O)[O-])c1 ZINC000423318935 528217534 /nfs/dbraw/zinc/21/75/34/528217534.db2.gz FCDXMHCTARLMRD-AWEZNQCLSA-N 2 1 277.368 2.907 20 5 CFBDMP CCCC[C@@H](C[NH3+])[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000414811093 528818942 /nfs/dbraw/zinc/81/89/42/528818942.db2.gz IVBHJWSICJPSKC-QPBFKRLHSA-N 2 1 277.368 2.715 20 5 CFBDMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000742207136 574319077 /nfs/dbraw/zinc/31/90/77/574319077.db2.gz QZRJCOPCAIBAOS-DZGCQCFKSA-N 2 1 291.395 2.723 20 5 CFBDMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000742207136 574319079 /nfs/dbraw/zinc/31/90/79/574319079.db2.gz QZRJCOPCAIBAOS-DZGCQCFKSA-N 2 1 291.395 2.723 20 5 CFBDMP [NH3+]CCC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000844911911 632333538 /nfs/dbraw/zinc/33/35/38/632333538.db2.gz PTZZURVVOMRXOJ-UHFFFAOYSA-N 2 1 297.786 2.809 20 5 CFBDMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000873029533 641989033 /nfs/dbraw/zinc/98/90/33/641989033.db2.gz JUEABOHPZQOXLY-CQSZACIVSA-N 2 1 291.395 2.725 20 5 CFBDMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000873029533 641989038 /nfs/dbraw/zinc/98/90/38/641989038.db2.gz JUEABOHPZQOXLY-CQSZACIVSA-N 2 1 291.395 2.725 20 5 CFBDMP Cc1ccc([N+](=O)[O-])c(C)c1CN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000873060296 641998736 /nfs/dbraw/zinc/99/87/36/641998736.db2.gz HOXQDKBHVXQYRA-OCCSQVGLSA-N 2 1 291.395 2.784 20 5 CFBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000873060296 641998743 /nfs/dbraw/zinc/99/87/43/641998743.db2.gz HOXQDKBHVXQYRA-OCCSQVGLSA-N 2 1 291.395 2.784 20 5 CFBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000873060296 641998750 /nfs/dbraw/zinc/99/87/50/641998750.db2.gz HOXQDKBHVXQYRA-OCCSQVGLSA-N 2 1 291.395 2.784 20 5 CFBDMP CC1(C)[NH2+]CC[C@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000925628818 648248892 /nfs/dbraw/zinc/24/88/92/648248892.db2.gz JQCDZMGCHVTKNO-CYBMUJFWSA-N 2 1 297.786 2.521 20 5 CFBDMP C[N@@H+](CCCCCC[NH3+])Cc1ccc([N+](=O)[O-])cc1 ZINC000710819292 781340114 /nfs/dbraw/zinc/34/01/14/781340114.db2.gz OICBVDGDLZZIKN-UHFFFAOYSA-N 2 1 265.357 2.546 20 5 CFBDMP C[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H]1CCC[NH3+] ZINC000595905024 349765549 /nfs/dbraw/zinc/76/55/49/349765549.db2.gz OIUZDGLAPOTVBT-CZUORRHYSA-N 2 1 291.395 2.934 20 5 CFBDMP C[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@@H]1CC[NH3+] ZINC000404365306 348591565 /nfs/dbraw/zinc/59/15/65/348591565.db2.gz PBDQALCERQTKDR-IAQYHMDHSA-N 2 1 295.358 2.683 20 5 CFBDMP C[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@@H]1CC[NH3+] ZINC000404365306 348591567 /nfs/dbraw/zinc/59/15/67/348591567.db2.gz PBDQALCERQTKDR-IAQYHMDHSA-N 2 1 295.358 2.683 20 5 CFBDMP C[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H]1CC[NH3+] ZINC000404444382 348592642 /nfs/dbraw/zinc/59/26/42/348592642.db2.gz WJUJHJLWKXZCNN-WFASDCNBSA-N 2 1 277.368 2.544 20 5 CFBDMP CC[C@@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592427648 349118320 /nfs/dbraw/zinc/11/83/20/349118320.db2.gz MLGZFDXMHXKGJF-LGVMCUBASA-N 2 1 289.379 2.667 20 5 CFBDMP CC[C@@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592427648 349118324 /nfs/dbraw/zinc/11/83/24/349118324.db2.gz MLGZFDXMHXKGJF-LGVMCUBASA-N 2 1 289.379 2.667 20 5 CFBDMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000598956117 350348975 /nfs/dbraw/zinc/34/89/75/350348975.db2.gz XKWKHUGSNSHZQK-ZDUSSCGKSA-N 2 1 277.368 2.557 20 5 CFBDMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000598956117 350348979 /nfs/dbraw/zinc/34/89/79/350348979.db2.gz XKWKHUGSNSHZQK-ZDUSSCGKSA-N 2 1 277.368 2.557 20 5 CFBDMP C[C@@H](NC[C@H]1CCCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000599070037 350370250 /nfs/dbraw/zinc/37/02/50/350370250.db2.gz JOZKRORIJBJQFN-ZIAGYGMSSA-N 2 1 291.395 2.977 20 5 CFBDMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000599070037 350370254 /nfs/dbraw/zinc/37/02/54/350370254.db2.gz JOZKRORIJBJQFN-ZIAGYGMSSA-N 2 1 291.395 2.977 20 5 CFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422560815 237103937 /nfs/dbraw/zinc/10/39/37/237103937.db2.gz HRQFFFYSXGTTAC-WHOFXGATSA-N 2 1 291.395 2.708 20 5 CFBDMP CCC[C@H]([NH2+]CCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000020091903 372229236 /nfs/dbraw/zinc/22/92/36/372229236.db2.gz BXJRGYVUFJRAEI-HNNXBMFYSA-N 2 1 279.384 2.977 20 5 CFBDMP C[C@@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@@]1(C)C[NH3+] ZINC000415056064 381743425 /nfs/dbraw/zinc/74/34/25/381743425.db2.gz PJMBUBZJZFWQKB-MOCUHTECSA-N 2 1 289.379 2.525 20 5 CFBDMP C[C@@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@@]1(C)C[NH3+] ZINC000415056064 381743431 /nfs/dbraw/zinc/74/34/31/381743431.db2.gz PJMBUBZJZFWQKB-MOCUHTECSA-N 2 1 289.379 2.525 20 5 CFBDMP [NH3+]C[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000415071571 381756565 /nfs/dbraw/zinc/75/65/65/381756565.db2.gz WOYFIDXKKMJZMF-FUVBFXSKSA-N 2 1 289.379 2.715 20 5 CFBDMP Cc1c(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000228317698 382846618 /nfs/dbraw/zinc/84/66/18/382846618.db2.gz IPXFBSXSZPMZRJ-YWPYICTPSA-N 2 1 291.395 2.722 20 5 CFBDMP Cc1c(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000228317698 382846619 /nfs/dbraw/zinc/84/66/19/382846619.db2.gz IPXFBSXSZPMZRJ-YWPYICTPSA-N 2 1 291.395 2.722 20 5 CFBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229067295 382850096 /nfs/dbraw/zinc/85/00/96/382850096.db2.gz SEYIPTPMYNOWLA-UPJWGTAASA-N 2 1 277.368 2.573 20 5 CFBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229067295 382850098 /nfs/dbraw/zinc/85/00/98/382850098.db2.gz SEYIPTPMYNOWLA-UPJWGTAASA-N 2 1 277.368 2.573 20 5 CFBDMP C[N@H+]1CCC[C@H]2CN(Cc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000248005405 383205909 /nfs/dbraw/zinc/20/59/09/383205909.db2.gz KUEKHMYWLVJCRK-GOEBONIOSA-N 2 1 289.379 2.511 20 5 CFBDMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000248005405 383205915 /nfs/dbraw/zinc/20/59/15/383205915.db2.gz KUEKHMYWLVJCRK-GOEBONIOSA-N 2 1 289.379 2.511 20 5 CFBDMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000248005405 383205923 /nfs/dbraw/zinc/20/59/23/383205923.db2.gz KUEKHMYWLVJCRK-GOEBONIOSA-N 2 1 289.379 2.511 20 5 CFBDMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000248005405 383205927 /nfs/dbraw/zinc/20/59/27/383205927.db2.gz KUEKHMYWLVJCRK-GOEBONIOSA-N 2 1 289.379 2.511 20 5 CFBDMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000248005405 383205930 /nfs/dbraw/zinc/20/59/30/383205930.db2.gz KUEKHMYWLVJCRK-GOEBONIOSA-N 2 1 289.379 2.511 20 5 CFBDMP C[N@@H+](CCCC[NH2+]Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000453604306 383871493 /nfs/dbraw/zinc/87/14/93/383871493.db2.gz ZAQISQCVWCACEZ-UHFFFAOYSA-N 2 1 277.368 2.559 20 5 CFBDMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000249370153 131121331 /nfs/dbraw/zinc/12/13/31/131121331.db2.gz ADUDLOGLTKLQOT-KGLIPLIRSA-N 2 1 291.395 2.896 20 5 CFBDMP Cc1c([C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000269070662 132107833 /nfs/dbraw/zinc/10/78/33/132107833.db2.gz ZXXARTKZAGRDHM-WCQYABFASA-N 2 1 279.384 2.894 20 5 CFBDMP C[NH+](C)CCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192593185 393627037 /nfs/dbraw/zinc/62/70/37/393627037.db2.gz YOOPFBICHRQZJH-HNNXBMFYSA-N 2 1 277.368 2.514 20 5 CFBDMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000424289330 393815701 /nfs/dbraw/zinc/81/57/01/393815701.db2.gz BXCIWCBVIWDXJX-ZLKJLUDKSA-N 2 1 263.341 2.515 20 5 CFBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C1CC[NH+](C)CC1 ZINC000344789399 162121865 /nfs/dbraw/zinc/12/18/65/162121865.db2.gz HCRAYGLGKAIQBJ-RAXLEYEMSA-N 2 1 289.379 2.682 20 5 CFBDMP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@@H]2CCC[C@H]21 ZINC000353408729 163359793 /nfs/dbraw/zinc/35/97/93/163359793.db2.gz VAPGOPZNGMXGHH-OFQRWUPVSA-N 2 1 289.379 2.557 20 5 CFBDMP Cc1c(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000397270848 270316669 /nfs/dbraw/zinc/31/66/69/270316669.db2.gz MUNGQJZXXXAOIX-ZOWXZIJZSA-N 2 1 291.395 2.708 20 5 CFBDMP CC(C)[C@@H]([NH3+])C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423280447 273545948 /nfs/dbraw/zinc/54/59/48/273545948.db2.gz UEUYYXOTHRSPFA-GJZGRUSLSA-N 2 1 291.395 2.890 20 5 CFBDMP CC(C)c1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000414951792 275741185 /nfs/dbraw/zinc/74/11/85/275741185.db2.gz QDLXUDWBWXOJCF-TZMCWYRMSA-N 2 1 291.395 2.948 20 5 CFBDMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000158486757 277069413 /nfs/dbraw/zinc/06/94/13/277069413.db2.gz YGBGHMNDVISGNQ-ZBFHGGJFSA-N 2 1 289.379 2.511 20 5 CFBDMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000158486757 277069414 /nfs/dbraw/zinc/06/94/14/277069414.db2.gz YGBGHMNDVISGNQ-ZBFHGGJFSA-N 2 1 289.379 2.511 20 5 CFBDMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000158486757 277069416 /nfs/dbraw/zinc/06/94/16/277069416.db2.gz YGBGHMNDVISGNQ-ZBFHGGJFSA-N 2 1 289.379 2.511 20 5 CFBDMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000158486757 277069417 /nfs/dbraw/zinc/06/94/17/277069417.db2.gz YGBGHMNDVISGNQ-ZBFHGGJFSA-N 2 1 289.379 2.511 20 5 CFBDMP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000366406959 277158017 /nfs/dbraw/zinc/15/80/17/277158017.db2.gz BDXVZEZLTJRELN-GDBMZVCRSA-N 2 1 289.379 2.511 20 5 CFBDMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000366406959 277158018 /nfs/dbraw/zinc/15/80/18/277158018.db2.gz BDXVZEZLTJRELN-GDBMZVCRSA-N 2 1 289.379 2.511 20 5 CFBDMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000366406959 277158019 /nfs/dbraw/zinc/15/80/19/277158019.db2.gz BDXVZEZLTJRELN-GDBMZVCRSA-N 2 1 289.379 2.511 20 5 CFBDMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000366406959 277158020 /nfs/dbraw/zinc/15/80/20/277158020.db2.gz BDXVZEZLTJRELN-GDBMZVCRSA-N 2 1 289.379 2.511 20 5 CFBDMP Cc1c(C[N@H+]2CCCC[C@@H]2CC[NH3+])cccc1[N+](=O)[O-] ZINC000070149476 280225451 /nfs/dbraw/zinc/22/54/51/280225451.db2.gz JBXDERMQLQNNBT-CQSZACIVSA-N 2 1 277.368 2.607 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000420306698 281022035 /nfs/dbraw/zinc/02/20/35/281022035.db2.gz AUEBHYAGZOJQOJ-MJBXVCDLSA-N 2 1 289.379 2.506 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000420306698 281022036 /nfs/dbraw/zinc/02/20/36/281022036.db2.gz AUEBHYAGZOJQOJ-MJBXVCDLSA-N 2 1 289.379 2.506 20 5 CFBDMP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000566242816 290361554 /nfs/dbraw/zinc/36/15/54/290361554.db2.gz KZOYDHSLVQJJRM-XJKSGUPXSA-N 2 1 289.379 2.731 20 5 CFBDMP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000566242816 290361558 /nfs/dbraw/zinc/36/15/58/290361558.db2.gz KZOYDHSLVQJJRM-XJKSGUPXSA-N 2 1 289.379 2.731 20 5 CFBDMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000422917287 534099947 /nfs/dbraw/zinc/09/99/47/534099947.db2.gz FVSXOXWOMYVFRY-CZUORRHYSA-N 2 1 291.395 2.505 20 5 CFBDMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000414835153 528517088 /nfs/dbraw/zinc/51/70/88/528517088.db2.gz HEGMSVMQNCDWOP-DZGCQCFKSA-N 2 1 293.411 2.879 20 5 CFBDMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000423289958 528952373 /nfs/dbraw/zinc/95/23/73/528952373.db2.gz YRKLQSQRCMJQCC-LLVKDONJSA-N 2 1 265.357 2.763 20 5 CFBDMP CC[C@@H]([NH2+]C[C@H]([NH3+])C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000423275656 529178630 /nfs/dbraw/zinc/17/86/30/529178630.db2.gz NHMBMWHNAIDZMX-UONOGXRCSA-N 2 1 265.357 2.619 20 5 CFBDMP NCC[N@H+](CCO)Cc1c2ccccc2cc2ccccc21 ZINC000841059549 620423656 /nfs/dbraw/zinc/42/36/56/620423656.db2.gz UJNMASODNIHHJP-UHFFFAOYSA-N 2 1 294.398 2.746 20 5 CFBDMP C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[C@H]1C[NH3+] ZINC000904411997 621593299 /nfs/dbraw/zinc/59/32/99/621593299.db2.gz YUXCITHDBUVPSA-PWSUYJOCSA-N 2 1 297.786 2.665 20 5 CFBDMP C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1C[NH3+] ZINC000923496424 626476421 /nfs/dbraw/zinc/47/64/21/626476421.db2.gz IDZHDERHMCPFTB-MNOVXSKESA-N 2 1 297.786 2.665 20 5 CFBDMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000873015634 641985428 /nfs/dbraw/zinc/98/54/28/641985428.db2.gz RKRQVRWOSQBXGU-AWEZNQCLSA-N 2 1 291.395 2.643 20 5 CFBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000876730607 642986178 /nfs/dbraw/zinc/98/61/78/642986178.db2.gz HYCGZAHRHDIYPL-AWEZNQCLSA-N 2 1 291.395 2.595 20 5 CFBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000876730607 642986180 /nfs/dbraw/zinc/98/61/80/642986180.db2.gz HYCGZAHRHDIYPL-AWEZNQCLSA-N 2 1 291.395 2.595 20 5 CFBDMP CC[C@H]([NH2+][C@H]1CC[NH2+][C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000423372724 529671680 /nfs/dbraw/zinc/67/16/80/529671680.db2.gz IPIIWINQKKAAGZ-WHOFXGATSA-N 2 1 277.368 2.776 20 5 CFBDMP C[C@H]([NH2+]CC1([NH3+])CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000596648608 349967540 /nfs/dbraw/zinc/96/75/40/349967540.db2.gz SNXJWFNRKFWWRL-NSHDSACASA-N 2 1 263.341 2.517 20 5 CFBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000314910533 348427760 /nfs/dbraw/zinc/42/77/60/348427760.db2.gz OIOADQLJIZPPLF-WWGRRREGSA-N 2 1 289.379 2.717 20 5 CFBDMP C[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H]1CC[NH3+] ZINC000404444376 348592010 /nfs/dbraw/zinc/59/20/10/348592010.db2.gz WJUJHJLWKXZCNN-DOMZBBRYSA-N 2 1 277.368 2.544 20 5 CFBDMP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000591282621 349006167 /nfs/dbraw/zinc/00/61/67/349006167.db2.gz HSEBEMXXEKQSHL-AWEZNQCLSA-N 2 1 289.379 2.668 20 5 CFBDMP CC1(C)CCC[N@@H+]1CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602686943 350979329 /nfs/dbraw/zinc/97/93/29/350979329.db2.gz SMCDLNIBILIYLL-UHFFFAOYSA-N 2 1 291.395 2.601 20 5 CFBDMP CC1(C)CCC[N@H+]1CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602686943 350979333 /nfs/dbraw/zinc/97/93/33/350979333.db2.gz SMCDLNIBILIYLL-UHFFFAOYSA-N 2 1 291.395 2.601 20 5 CFBDMP C[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000037997554 372755856 /nfs/dbraw/zinc/75/58/56/372755856.db2.gz HIYZZTMGAQHKLI-CQSZACIVSA-N 2 1 291.395 2.806 20 5 CFBDMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000093516243 375261605 /nfs/dbraw/zinc/26/16/05/375261605.db2.gz WNPUEFTYCPTOJS-UKRRQHHQSA-N 2 1 291.395 2.995 20 5 CFBDMP C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc([N+](=O)[O-])cc1 ZINC000296018267 381213724 /nfs/dbraw/zinc/21/37/24/381213724.db2.gz RQXAZTQGMADGAC-BPZRQAJTSA-N 2 1 289.379 2.871 20 5 CFBDMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc([N+](=O)[O-])cc1 ZINC000296018267 381213730 /nfs/dbraw/zinc/21/37/30/381213730.db2.gz RQXAZTQGMADGAC-BPZRQAJTSA-N 2 1 289.379 2.871 20 5 CFBDMP C[C@@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000415128971 381797651 /nfs/dbraw/zinc/79/76/51/381797651.db2.gz OZAVTSLIQZKFES-HNLSUCLVSA-N 2 1 289.379 2.525 20 5 CFBDMP C[C@@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000415128971 381797658 /nfs/dbraw/zinc/79/76/58/381797658.db2.gz OZAVTSLIQZKFES-HNLSUCLVSA-N 2 1 289.379 2.525 20 5 CFBDMP C[NH2+]C[C@@H]1CCC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000420267882 382338182 /nfs/dbraw/zinc/33/81/82/382338182.db2.gz GFHXMLVOHQIYRW-KGLIPLIRSA-N 2 1 291.395 2.896 20 5 CFBDMP C[NH2+]C[C@@H]1CCC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000420267882 382338192 /nfs/dbraw/zinc/33/81/92/382338192.db2.gz GFHXMLVOHQIYRW-KGLIPLIRSA-N 2 1 291.395 2.896 20 5 CFBDMP CC(C)[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1ccc([N+](=O)[O-])cc1 ZINC000420297760 382348967 /nfs/dbraw/zinc/34/89/67/382348967.db2.gz DLQRSNURDCAYKR-CQSZACIVSA-N 2 1 291.395 2.805 20 5 CFBDMP CC[NH+](CC)CCC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338350379 382999127 /nfs/dbraw/zinc/99/91/27/382999127.db2.gz OWMXVNLONHQQKM-UHFFFAOYSA-N 2 1 293.411 2.801 20 5 CFBDMP CC[NH+](CC)CCC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338350379 382999130 /nfs/dbraw/zinc/99/91/30/382999130.db2.gz OWMXVNLONHQQKM-UHFFFAOYSA-N 2 1 293.411 2.801 20 5 CFBDMP Cc1c([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000423355657 383062065 /nfs/dbraw/zinc/06/20/65/383062065.db2.gz FREJSNZFDJURJQ-CHWSQXEVSA-N 2 1 277.368 2.696 20 5 CFBDMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449334380 383223538 /nfs/dbraw/zinc/22/35/38/383223538.db2.gz JFFVXHPHEUMCGR-KGLIPLIRSA-N 2 1 293.411 2.844 20 5 CFBDMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449334380 383223541 /nfs/dbraw/zinc/22/35/41/383223541.db2.gz JFFVXHPHEUMCGR-KGLIPLIRSA-N 2 1 293.411 2.844 20 5 CFBDMP Cc1ccc(C[NH2+]CCCC[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000453600197 383869156 /nfs/dbraw/zinc/86/91/56/383869156.db2.gz RWJBRCPBCCACOA-UHFFFAOYSA-N 2 1 291.395 2.867 20 5 CFBDMP O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415038585 285111940 /nfs/dbraw/zinc/11/19/40/285111940.db2.gz HZUJLDVNDULHDI-GDBMZVCRSA-N 2 1 289.379 2.559 20 5 CFBDMP O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415038585 285111942 /nfs/dbraw/zinc/11/19/42/285111942.db2.gz HZUJLDVNDULHDI-GDBMZVCRSA-N 2 1 289.379 2.559 20 5 CFBDMP CCC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000037539261 393531565 /nfs/dbraw/zinc/53/15/65/393531565.db2.gz HMYXAWVXZKANKQ-UHFFFAOYSA-N 2 1 277.368 2.559 20 5 CFBDMP CCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000037539261 393531571 /nfs/dbraw/zinc/53/15/71/393531571.db2.gz HMYXAWVXZKANKQ-UHFFFAOYSA-N 2 1 277.368 2.559 20 5 CFBDMP CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCC[NH2+]C1 ZINC000226437023 393770472 /nfs/dbraw/zinc/77/04/72/393770472.db2.gz ATOMJUFTZJMDDO-OAHLLOKOSA-N 2 1 291.395 2.805 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000158175047 394354904 /nfs/dbraw/zinc/35/49/04/394354904.db2.gz DKERQGRKQQGHCD-UONOGXRCSA-N 2 1 291.395 2.896 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000158175047 394354906 /nfs/dbraw/zinc/35/49/06/394354906.db2.gz DKERQGRKQQGHCD-UONOGXRCSA-N 2 1 291.395 2.896 20 5 CFBDMP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000037176872 173010427 /nfs/dbraw/zinc/01/04/27/173010427.db2.gz DQZPBKBQQBIOQM-GFCCVEGCSA-N 2 1 279.384 2.833 20 5 CFBDMP Cc1c(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cccc1[N+](=O)[O-] ZINC000040747098 174392471 /nfs/dbraw/zinc/39/24/71/174392471.db2.gz QDFZWMQNYLOXKA-YIONKMFJSA-N 2 1 289.379 2.618 20 5 CFBDMP Cc1c(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cccc1[N+](=O)[O-] ZINC000040747098 174392473 /nfs/dbraw/zinc/39/24/73/174392473.db2.gz QDFZWMQNYLOXKA-YIONKMFJSA-N 2 1 289.379 2.618 20 5 CFBDMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000044534272 175198062 /nfs/dbraw/zinc/19/80/62/175198062.db2.gz XDECNNIGFMSAIK-QWHCGFSZSA-N 2 1 277.368 2.587 20 5 CFBDMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000044534272 175198063 /nfs/dbraw/zinc/19/80/63/175198063.db2.gz XDECNNIGFMSAIK-QWHCGFSZSA-N 2 1 277.368 2.587 20 5 CFBDMP CC(C)c1ccc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000346674583 276052969 /nfs/dbraw/zinc/05/29/69/276052969.db2.gz IODOZORSXFHQDS-TZMCWYRMSA-N 2 1 291.395 2.887 20 5 CFBDMP CC(C)c1ccc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000346674583 276052971 /nfs/dbraw/zinc/05/29/71/276052971.db2.gz IODOZORSXFHQDS-TZMCWYRMSA-N 2 1 291.395 2.887 20 5 CFBDMP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000423176642 278340399 /nfs/dbraw/zinc/34/03/99/278340399.db2.gz HMYNKVPETODBOA-GFCCVEGCSA-N 2 1 277.368 2.907 20 5 CFBDMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000271914917 278341396 /nfs/dbraw/zinc/34/13/96/278341396.db2.gz YRTFHZYLJUOILO-GFCCVEGCSA-N 2 1 275.352 2.507 20 5 CFBDMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000037648974 278351447 /nfs/dbraw/zinc/35/14/47/278351447.db2.gz WGFMZHYTQZWONB-OLZOCXBDSA-N 2 1 289.379 2.730 20 5 CFBDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000105443333 280585218 /nfs/dbraw/zinc/58/52/18/280585218.db2.gz QSFWELGILVFGAZ-LBPRGKRZSA-N 2 1 288.351 2.526 20 5 CFBDMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423265310 528312752 /nfs/dbraw/zinc/31/27/52/528312752.db2.gz QUERPOLDCDTCNP-BBRMVZONSA-N 2 1 291.395 2.935 20 5 CFBDMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000423289959 528951132 /nfs/dbraw/zinc/95/11/32/528951132.db2.gz YRKLQSQRCMJQCC-NSHDSACASA-N 2 1 265.357 2.763 20 5 CFBDMP CCC[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000423311286 529010045 /nfs/dbraw/zinc/01/00/45/529010045.db2.gz BRPWEQVEGZSCBC-HUUCEWRRSA-N 2 1 277.368 2.763 20 5 CFBDMP CCC[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000423283828 529021747 /nfs/dbraw/zinc/02/17/47/529021747.db2.gz WJCLEXUBNHUYJE-HUUCEWRRSA-N 2 1 277.368 2.763 20 5 CFBDMP C[C@@H]([NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)c1ccccc1[N+](=O)[O-] ZINC000925730147 619031451 /nfs/dbraw/zinc/03/14/51/619031451.db2.gz NWVZRTIZEUTHRR-HONMWMINSA-N 2 1 275.352 2.515 20 5 CFBDMP [NH3+][C@@H]1CC[C@H](C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000903454644 621388225 /nfs/dbraw/zinc/38/82/25/621388225.db2.gz GZNWDLOXIPMXRU-UONOGXRCSA-N 2 1 289.379 2.687 20 5 CFBDMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000903988024 621499526 /nfs/dbraw/zinc/49/95/26/621499526.db2.gz MSBCVIYAKMJYLS-BZPMIXESSA-N 2 1 277.368 2.776 20 5 CFBDMP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000093861252 626328519 /nfs/dbraw/zinc/32/85/19/626328519.db2.gz FHUHEXOWOAAUFO-NSHDSACASA-N 2 1 265.357 2.573 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923494805 626476882 /nfs/dbraw/zinc/47/68/82/626476882.db2.gz OVTFLFZYAWQPHT-HZSPNIEDSA-N 2 1 291.395 2.881 20 5 CFBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923498731 626477119 /nfs/dbraw/zinc/47/71/19/626477119.db2.gz JJJLHNZVKZBMHE-YRGRVCCFSA-N 2 1 277.368 2.573 20 5 CFBDMP C[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC[C@@H]1C[NH3+] ZINC000923499744 626477494 /nfs/dbraw/zinc/47/74/94/626477494.db2.gz SXNIDBYBPLCHAZ-WDEREUQCSA-N 2 1 297.786 2.665 20 5 CFBDMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783608773 628726489 /nfs/dbraw/zinc/72/64/89/628726489.db2.gz LPQJRHIYIDWRMJ-UHFFFAOYSA-N 2 1 294.742 2.543 20 5 CFBDMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000783652447 628731078 /nfs/dbraw/zinc/73/10/78/628731078.db2.gz MNOHAZRNQWRFKI-UHFFFAOYSA-N 2 1 295.770 2.600 20 5 CFBDMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000817906726 632729058 /nfs/dbraw/zinc/72/90/58/632729058.db2.gz DFXFJYGZDKXFRD-QMTHXVAHSA-N 2 1 297.786 2.726 20 5 CFBDMP Cc1c(C[NH2+]CC(C)(C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000035648666 649265742 /nfs/dbraw/zinc/26/57/42/649265742.db2.gz SGBFRRIQJAIQCF-UHFFFAOYSA-N 2 1 279.384 2.581 20 5 CFBDMP Cc1c(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cccc1[N+](=O)[O-] ZINC000404382703 348591415 /nfs/dbraw/zinc/59/14/15/348591415.db2.gz NCMZXYMDCYCQBX-IUODEOHRSA-N 2 1 291.395 2.853 20 5 CFBDMP C[C@H]1CC2(C[N@H+]1Cc1ccc([N+](=O)[O-])cc1)CC[NH2+]CC2 ZINC000591658943 349037468 /nfs/dbraw/zinc/03/74/68/349037468.db2.gz YJYVKMLNFIIUGF-ZDUSSCGKSA-N 2 1 289.379 2.559 20 5 CFBDMP CC[C@@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592427646 349118522 /nfs/dbraw/zinc/11/85/22/349118522.db2.gz MLGZFDXMHXKGJF-BBUPELFUSA-N 2 1 289.379 2.667 20 5 CFBDMP CC[C@@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592427646 349118525 /nfs/dbraw/zinc/11/85/25/349118525.db2.gz MLGZFDXMHXKGJF-BBUPELFUSA-N 2 1 289.379 2.667 20 5 CFBDMP Cc1ccc(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000593317799 349246391 /nfs/dbraw/zinc/24/63/91/349246391.db2.gz YOYINBVHOVRYFV-SWLSCSKDSA-N 2 1 291.395 2.853 20 5 CFBDMP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000601972767 350821908 /nfs/dbraw/zinc/82/19/08/350821908.db2.gz OYAVOHXJMOBTOO-NSHDSACASA-N 2 1 283.397 2.524 20 5 CFBDMP CC[C@@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)[NH+]1CCCC1 ZINC000602509869 350909516 /nfs/dbraw/zinc/90/95/16/350909516.db2.gz VLMHMEMPCUNQNQ-HNNXBMFYSA-N 2 1 291.395 2.601 20 5 CFBDMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000020047884 372222715 /nfs/dbraw/zinc/22/27/15/372222715.db2.gz FBGQQIWDLQPWMF-CQSZACIVSA-N 2 1 291.395 2.949 20 5 CFBDMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000020047884 372222721 /nfs/dbraw/zinc/22/27/21/372222721.db2.gz FBGQQIWDLQPWMF-CQSZACIVSA-N 2 1 291.395 2.949 20 5 CFBDMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000020047879 372223589 /nfs/dbraw/zinc/22/35/89/372223589.db2.gz OCLRMWIPXCDSTN-CQSZACIVSA-N 2 1 291.395 2.949 20 5 CFBDMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000020047879 372223594 /nfs/dbraw/zinc/22/35/94/372223594.db2.gz OCLRMWIPXCDSTN-CQSZACIVSA-N 2 1 291.395 2.949 20 5 CFBDMP C[C@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000062077290 373746632 /nfs/dbraw/zinc/74/66/32/373746632.db2.gz SILGBBYGQDTWIF-ZIAGYGMSSA-N 2 1 291.395 2.977 20 5 CFBDMP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000104098213 375767125 /nfs/dbraw/zinc/76/71/25/375767125.db2.gz ZMCVCYUBEFTMMX-UONOGXRCSA-N 2 1 291.395 2.929 20 5 CFBDMP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000104098213 375767129 /nfs/dbraw/zinc/76/71/29/375767129.db2.gz ZMCVCYUBEFTMMX-UONOGXRCSA-N 2 1 291.395 2.929 20 5 CFBDMP C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000104098213 375767131 /nfs/dbraw/zinc/76/71/31/375767131.db2.gz ZMCVCYUBEFTMMX-UONOGXRCSA-N 2 1 291.395 2.929 20 5 CFBDMP C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000104098213 375767134 /nfs/dbraw/zinc/76/71/34/375767134.db2.gz ZMCVCYUBEFTMMX-UONOGXRCSA-N 2 1 291.395 2.929 20 5 CFBDMP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000128474017 377339512 /nfs/dbraw/zinc/33/95/12/377339512.db2.gz KJTLKXGJKUQJKC-JSGCOSHPSA-N 2 1 279.384 2.961 20 5 CFBDMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000128474017 377339516 /nfs/dbraw/zinc/33/95/16/377339516.db2.gz KJTLKXGJKUQJKC-JSGCOSHPSA-N 2 1 279.384 2.961 20 5 CFBDMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000331089227 378631069 /nfs/dbraw/zinc/63/10/69/378631069.db2.gz UNRTZRYDVKGHOW-SWLSCSKDSA-N 2 1 291.395 2.723 20 5 CFBDMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000331089227 378631072 /nfs/dbraw/zinc/63/10/72/378631072.db2.gz UNRTZRYDVKGHOW-SWLSCSKDSA-N 2 1 291.395 2.723 20 5 CFBDMP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358507700 380892470 /nfs/dbraw/zinc/89/24/70/380892470.db2.gz LCPOOKURUNEXPW-ZDUSSCGKSA-N 2 1 289.379 2.731 20 5 CFBDMP CC(C)c1ccc(C[NH2+]C2(C)CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000414947480 381638712 /nfs/dbraw/zinc/63/87/12/381638712.db2.gz WBPHSQXNTMEEIQ-UHFFFAOYSA-N 2 1 291.395 2.950 20 5 CFBDMP C[C@@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@@]1(C)C[NH3+] ZINC000415056065 381742295 /nfs/dbraw/zinc/74/22/95/381742295.db2.gz PJMBUBZJZFWQKB-TZDXQJPWSA-N 2 1 289.379 2.525 20 5 CFBDMP C[C@@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@@]1(C)C[NH3+] ZINC000415056065 381742299 /nfs/dbraw/zinc/74/22/99/381742299.db2.gz PJMBUBZJZFWQKB-TZDXQJPWSA-N 2 1 289.379 2.525 20 5 CFBDMP Cc1c([C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000293282478 382062968 /nfs/dbraw/zinc/06/29/68/382062968.db2.gz CWDCFQCRMYEDRN-YPMHNXCESA-N 2 1 279.384 2.752 20 5 CFBDMP Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000293722741 382251291 /nfs/dbraw/zinc/25/12/91/382251291.db2.gz PRDTUXPHVMDSLP-DGCLKSJQSA-N 2 1 279.384 2.752 20 5 CFBDMP [NH3+]CCC[N@@H+](Cc1csc([N+](=O)[O-])c1)CC1CCCC1 ZINC000352526079 382381263 /nfs/dbraw/zinc/38/12/63/382381263.db2.gz JZDHLPVHFZZAEQ-UHFFFAOYSA-N 2 1 297.424 2.997 20 5 CFBDMP [NH3+]CCC[N@H+](Cc1csc([N+](=O)[O-])c1)CC1CCCC1 ZINC000352526079 382381268 /nfs/dbraw/zinc/38/12/68/382381268.db2.gz JZDHLPVHFZZAEQ-UHFFFAOYSA-N 2 1 297.424 2.997 20 5 CFBDMP CC(C)c1ccc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000346674580 382466602 /nfs/dbraw/zinc/46/66/02/382466602.db2.gz IODOZORSXFHQDS-OCCSQVGLSA-N 2 1 291.395 2.887 20 5 CFBDMP CC(C)c1ccc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000346674580 382466606 /nfs/dbraw/zinc/46/66/06/382466606.db2.gz IODOZORSXFHQDS-OCCSQVGLSA-N 2 1 291.395 2.887 20 5 CFBDMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1[N+](=O)[O-] ZINC000423012877 383010397 /nfs/dbraw/zinc/01/03/97/383010397.db2.gz DWVSFKOJAPEVDM-ACJTYDJDSA-N 2 1 275.352 2.528 20 5 CFBDMP C[C@@H]1C[C@@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])CC[N@@H+]1C ZINC000568647426 383424127 /nfs/dbraw/zinc/42/41/27/383424127.db2.gz NJVDWYUWIDGWAG-XUJVJEKNSA-N 2 1 289.379 2.654 20 5 CFBDMP C[C@@H]1C[C@@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])CC[N@H+]1C ZINC000568647426 383424131 /nfs/dbraw/zinc/42/41/31/383424131.db2.gz NJVDWYUWIDGWAG-XUJVJEKNSA-N 2 1 289.379 2.654 20 5 CFBDMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC[N@@H+]1C ZINC000568647426 383424134 /nfs/dbraw/zinc/42/41/34/383424134.db2.gz NJVDWYUWIDGWAG-XUJVJEKNSA-N 2 1 289.379 2.654 20 5 CFBDMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC[N@H+]1C ZINC000568647426 383424138 /nfs/dbraw/zinc/42/41/38/383424138.db2.gz NJVDWYUWIDGWAG-XUJVJEKNSA-N 2 1 289.379 2.654 20 5 CFBDMP [NH3+]CCC[N@H+](Cc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000336698011 393745733 /nfs/dbraw/zinc/74/57/33/393745733.db2.gz BWUDBERBZKJVPM-UHFFFAOYSA-N 2 1 299.374 2.946 20 5 CFBDMP [NH3+]CCC[N@@H+](Cc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000336698011 393745735 /nfs/dbraw/zinc/74/57/35/393745735.db2.gz BWUDBERBZKJVPM-UHFFFAOYSA-N 2 1 299.374 2.946 20 5 CFBDMP CC(C)[C@H]([NH3+])C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423266229 394274981 /nfs/dbraw/zinc/27/49/81/394274981.db2.gz DGSUIZBLRWBZLH-CABCVRRESA-N 2 1 277.368 2.545 20 5 CFBDMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@@H]2CCC[C@H]21 ZINC000375801580 157285943 /nfs/dbraw/zinc/28/59/43/157285943.db2.gz LYOURIGMBOJKPL-HRCADAONSA-N 2 1 289.379 2.557 20 5 CFBDMP CC1CC[NH+](CCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000020146342 171032712 /nfs/dbraw/zinc/03/27/12/171032712.db2.gz LWMKHFBIGQFJEF-UHFFFAOYSA-N 2 1 291.395 2.806 20 5 CFBDMP CC(C)c1ccc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000261903085 276052849 /nfs/dbraw/zinc/05/28/49/276052849.db2.gz WRPCBHDDZCEHHP-INIZCTEOSA-N 2 1 291.395 2.889 20 5 CFBDMP CC(C)c1ccc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000261903085 276052850 /nfs/dbraw/zinc/05/28/50/276052850.db2.gz WRPCBHDDZCEHHP-INIZCTEOSA-N 2 1 291.395 2.889 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000161472665 322352000 /nfs/dbraw/zinc/35/20/00/322352000.db2.gz IVEGSXUWAMVYSR-LBPRGKRZSA-N 2 1 277.368 2.648 20 5 CFBDMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc([N+](=O)[O-])cc1 ZINC000423147744 533813000 /nfs/dbraw/zinc/81/30/00/533813000.db2.gz SRNHSYDLZFHFBC-RAQOOLMWSA-N 2 1 275.352 2.528 20 5 CFBDMP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423327604 533890355 /nfs/dbraw/zinc/89/03/55/533890355.db2.gz LLWJAZBOFMLEJO-WFASDCNBSA-N 2 1 277.368 2.635 20 5 CFBDMP [NH3+]C1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCCCCC1 ZINC000414857547 534550219 /nfs/dbraw/zinc/55/02/19/534550219.db2.gz DWDFDQYKUFTAGE-UHFFFAOYSA-N 2 1 277.368 2.736 20 5 CFBDMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000245422249 521720609 /nfs/dbraw/zinc/72/06/09/521720609.db2.gz IPZLCZLGWKYUQO-BBRMVZONSA-N 2 1 291.395 2.757 20 5 CFBDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000245422249 521720610 /nfs/dbraw/zinc/72/06/10/521720610.db2.gz IPZLCZLGWKYUQO-BBRMVZONSA-N 2 1 291.395 2.757 20 5 CFBDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000245422249 521720612 /nfs/dbraw/zinc/72/06/12/521720612.db2.gz IPZLCZLGWKYUQO-BBRMVZONSA-N 2 1 291.395 2.757 20 5 CFBDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000245422249 521720613 /nfs/dbraw/zinc/72/06/13/521720613.db2.gz IPZLCZLGWKYUQO-BBRMVZONSA-N 2 1 291.395 2.757 20 5 CFBDMP CCC[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000423283826 529018950 /nfs/dbraw/zinc/01/89/50/529018950.db2.gz WJCLEXUBNHUYJE-CABCVRRESA-N 2 1 277.368 2.763 20 5 CFBDMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000093633678 619279623 /nfs/dbraw/zinc/27/96/23/619279623.db2.gz NXDUCHVQNYJEGX-NSHDSACASA-N 2 1 297.786 2.809 20 5 CFBDMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000841031790 620258659 /nfs/dbraw/zinc/25/86/59/620258659.db2.gz XXVWZZVTOVPCNU-IINYFYTJSA-N 2 1 297.786 2.855 20 5 CFBDMP C[C@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)c1ccccc1[N+](=O)[O-] ZINC000902431174 621077289 /nfs/dbraw/zinc/07/72/89/621077289.db2.gz SCVYAFLXINTSSC-DOMZBBRYSA-N 2 1 289.379 2.573 20 5 CFBDMP COc1cc([C@H](C)[NH2+][C@H](C)CC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000903083488 621246091 /nfs/dbraw/zinc/24/60/91/621246091.db2.gz IAQFTEJFJZXRCX-NEPJUHHUSA-N 2 1 295.383 2.594 20 5 CFBDMP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000903988031 621499732 /nfs/dbraw/zinc/49/97/32/621499732.db2.gz MSBCVIYAKMJYLS-YRGRVCCFSA-N 2 1 277.368 2.776 20 5 CFBDMP C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1C[NH3+] ZINC000904411585 621592850 /nfs/dbraw/zinc/59/28/50/621592850.db2.gz NTKRBWHJMUWSJR-MNOVXSKESA-N 2 1 297.786 2.665 20 5 CFBDMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000925630112 648249686 /nfs/dbraw/zinc/24/96/86/648249686.db2.gz QYEAFGTWERAORU-MFKMUULPSA-N 2 1 297.786 2.521 20 5 CFBDMP C[NH2+]CCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414859714 529970970 /nfs/dbraw/zinc/97/09/70/529970970.db2.gz NFDAJHRQOCYRAN-UHFFFAOYSA-N 2 1 289.335 2.554 20 5 CFBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000592489160 349128075 /nfs/dbraw/zinc/12/80/75/349128075.db2.gz ISFCZMXBOWDXFS-CZUORRHYSA-N 2 1 289.379 2.731 20 5 CFBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000592489160 349128078 /nfs/dbraw/zinc/12/80/78/349128078.db2.gz ISFCZMXBOWDXFS-CZUORRHYSA-N 2 1 289.379 2.731 20 5 CFBDMP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000592489153 349128153 /nfs/dbraw/zinc/12/81/53/349128153.db2.gz ISFCZMXBOWDXFS-BBRMVZONSA-N 2 1 289.379 2.731 20 5 CFBDMP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000592489153 349128155 /nfs/dbraw/zinc/12/81/55/349128155.db2.gz ISFCZMXBOWDXFS-BBRMVZONSA-N 2 1 289.379 2.731 20 5 CFBDMP C[C@H](NC[C@@H]1CCCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000599070032 350370308 /nfs/dbraw/zinc/37/03/08/350370308.db2.gz JOZKRORIJBJQFN-KBPBESRZSA-N 2 1 291.395 2.977 20 5 CFBDMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000599070032 350370310 /nfs/dbraw/zinc/37/03/10/350370310.db2.gz JOZKRORIJBJQFN-KBPBESRZSA-N 2 1 291.395 2.977 20 5 CFBDMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000180459606 189256372 /nfs/dbraw/zinc/25/63/72/189256372.db2.gz VAPZNHIMJWXMGR-OCCSQVGLSA-N 2 1 277.368 2.730 20 5 CFBDMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000180459606 189256373 /nfs/dbraw/zinc/25/63/73/189256373.db2.gz VAPZNHIMJWXMGR-OCCSQVGLSA-N 2 1 277.368 2.730 20 5 CFBDMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000037140825 372653998 /nfs/dbraw/zinc/65/39/98/372653998.db2.gz KHKSYWACWIQDQS-GFCCVEGCSA-N 2 1 289.379 2.872 20 5 CFBDMP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000049553821 373310522 /nfs/dbraw/zinc/31/05/22/373310522.db2.gz ZFKNFRKANAZMAK-VXGBXAGGSA-N 2 1 265.357 2.586 20 5 CFBDMP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000332309355 378746445 /nfs/dbraw/zinc/74/64/45/378746445.db2.gz OWSCYQCGGKXMLJ-OWCLPIDISA-N 2 1 289.379 2.832 20 5 CFBDMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000163262488 378962815 /nfs/dbraw/zinc/96/28/15/378962815.db2.gz RFWFKGHLCYYWFV-UONOGXRCSA-N 2 1 291.395 2.896 20 5 CFBDMP Cc1ccc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000352534613 382382533 /nfs/dbraw/zinc/38/25/33/382382533.db2.gz ILHIYENEBFMONU-CQSZACIVSA-N 2 1 277.368 2.607 20 5 CFBDMP Cc1ccc(C[N@H+]2CCCC[C@@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000352534613 382382535 /nfs/dbraw/zinc/38/25/35/382382535.db2.gz ILHIYENEBFMONU-CQSZACIVSA-N 2 1 277.368 2.607 20 5 CFBDMP CC(C)[N@@H+](C)CCCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000574583740 384117884 /nfs/dbraw/zinc/11/78/84/384117884.db2.gz NEXBUNYDAZNCAK-HNNXBMFYSA-N 2 1 291.395 2.902 20 5 CFBDMP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000574583740 384117896 /nfs/dbraw/zinc/11/78/96/384117896.db2.gz NEXBUNYDAZNCAK-HNNXBMFYSA-N 2 1 291.395 2.902 20 5 CFBDMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000574583740 384117905 /nfs/dbraw/zinc/11/79/05/384117905.db2.gz NEXBUNYDAZNCAK-HNNXBMFYSA-N 2 1 291.395 2.902 20 5 CFBDMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000268802749 132068986 /nfs/dbraw/zinc/06/89/86/132068986.db2.gz JWVKSDPFNJSFRN-LBPRGKRZSA-N 2 1 288.351 2.759 20 5 CFBDMP Cc1c([C@@H](C)[NH2+][C@H](C)CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000269070645 132107853 /nfs/dbraw/zinc/10/78/53/132107853.db2.gz ZXXARTKZAGRDHM-DGCLKSJQSA-N 2 1 279.384 2.894 20 5 CFBDMP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cccc([N+](=O)[O-])c2)C1 ZINC000269139029 132119396 /nfs/dbraw/zinc/11/93/96/132119396.db2.gz ZOYOCFXJGBJNTM-HOCLYGCPSA-N 2 1 289.379 2.511 20 5 CFBDMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cccc([N+](=O)[O-])c2)C1 ZINC000269139029 132119399 /nfs/dbraw/zinc/11/93/99/132119399.db2.gz ZOYOCFXJGBJNTM-HOCLYGCPSA-N 2 1 289.379 2.511 20 5 CFBDMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2)C1 ZINC000269139029 132119401 /nfs/dbraw/zinc/11/94/01/132119401.db2.gz ZOYOCFXJGBJNTM-HOCLYGCPSA-N 2 1 289.379 2.511 20 5 CFBDMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cccc([N+](=O)[O-])c2)C1 ZINC000269139029 132119403 /nfs/dbraw/zinc/11/94/03/132119403.db2.gz ZOYOCFXJGBJNTM-HOCLYGCPSA-N 2 1 289.379 2.511 20 5 CFBDMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000221923827 393762734 /nfs/dbraw/zinc/76/27/34/393762734.db2.gz NMVYKVRERXZIEH-ZDUSSCGKSA-N 2 1 279.384 2.976 20 5 CFBDMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000221923827 393762737 /nfs/dbraw/zinc/76/27/37/393762737.db2.gz NMVYKVRERXZIEH-ZDUSSCGKSA-N 2 1 279.384 2.976 20 5 CFBDMP CC1(C)C[C@@H]([NH2+]CC2([NH3+])CCC2)c2cc([N+](=O)[O-])ccc21 ZINC000423336103 394277561 /nfs/dbraw/zinc/27/75/61/394277561.db2.gz UQWVEBFWBQRWJT-CQSZACIVSA-N 2 1 289.379 2.788 20 5 CFBDMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@H]2CCC[C@@H]21 ZINC000375801583 157286127 /nfs/dbraw/zinc/28/61/27/157286127.db2.gz LYOURIGMBOJKPL-PMPSAXMXSA-N 2 1 289.379 2.557 20 5 CFBDMP CC(C)c1ccc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000346649167 278037085 /nfs/dbraw/zinc/03/70/85/278037085.db2.gz GMRSUUJQTMHIQS-OCCSQVGLSA-N 2 1 291.395 2.887 20 5 CFBDMP CC(C)c1ccc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000346649167 278037089 /nfs/dbraw/zinc/03/70/89/278037089.db2.gz GMRSUUJQTMHIQS-OCCSQVGLSA-N 2 1 291.395 2.887 20 5 CFBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070169445 290251620 /nfs/dbraw/zinc/25/16/20/290251620.db2.gz CKCNDLFOCSCTKZ-CHWSQXEVSA-N 2 1 277.368 2.717 20 5 CFBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228476476 290267583 /nfs/dbraw/zinc/26/75/83/290267583.db2.gz BMEZGTGZQZLEAC-AYRXBEOTSA-N 2 1 289.379 2.715 20 5 CFBDMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000163261940 322374646 /nfs/dbraw/zinc/37/46/46/322374646.db2.gz WIFGKLLJUUZTRC-UONOGXRCSA-N 2 1 291.395 2.896 20 5 CFBDMP CC(C)C[NH+]1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000078889960 519720555 /nfs/dbraw/zinc/72/05/55/519720555.db2.gz YXEQKESUCUVHTQ-UHFFFAOYSA-N 2 1 291.395 2.805 20 5 CFBDMP CCC[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000423311285 528225175 /nfs/dbraw/zinc/22/51/75/528225175.db2.gz BRPWEQVEGZSCBC-GJZGRUSLSA-N 2 1 277.368 2.763 20 5 CFBDMP CC(C)C[C@@H](C[NH3+])[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000414851515 528309097 /nfs/dbraw/zinc/30/90/97/528309097.db2.gz OZLIHBOXGPRSDI-VSKVDJIOSA-N 2 1 277.368 2.571 20 5 CFBDMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423280826 528949681 /nfs/dbraw/zinc/94/96/81/528949681.db2.gz AKLSCTHEBQZQCA-NSHDSACASA-N 2 1 265.357 2.763 20 5 CFBDMP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423266231 529070081 /nfs/dbraw/zinc/07/00/81/529070081.db2.gz DGSUIZBLRWBZLH-HUUCEWRRSA-N 2 1 277.368 2.545 20 5 CFBDMP C[C@@H]([NH2+][C@H]1C[C@H]([NH3+])C12CCC2)c1ccccc1[N+](=O)[O-] ZINC000925730149 619031284 /nfs/dbraw/zinc/03/12/84/619031284.db2.gz NWVZRTIZEUTHRR-SWHYSGLUSA-N 2 1 275.352 2.515 20 5 CFBDMP C[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000842471750 631639568 /nfs/dbraw/zinc/63/95/68/631639568.db2.gz XDWHILKCTKPDFL-LLVKDONJSA-N 2 1 297.786 2.680 20 5 CFBDMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000873020042 641986359 /nfs/dbraw/zinc/98/63/59/641986359.db2.gz BZGBSDVIEYDORC-AWEZNQCLSA-N 2 1 291.395 2.725 20 5 CFBDMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000873020042 641986361 /nfs/dbraw/zinc/98/63/61/641986361.db2.gz BZGBSDVIEYDORC-AWEZNQCLSA-N 2 1 291.395 2.725 20 5 CFBDMP Cc1c(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000873069558 642003299 /nfs/dbraw/zinc/00/32/99/642003299.db2.gz JYYLJZBRNCRHDF-GJZGRUSLSA-N 2 1 291.395 2.866 20 5 CFBDMP Cc1c(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000873130251 642021891 /nfs/dbraw/zinc/02/18/91/642021891.db2.gz CFQZDWGINIWTQE-CQSZACIVSA-N 2 1 291.395 2.725 20 5 CFBDMP C[N@@H+](CCCCCC[NH3+])Cc1ccccc1[N+](=O)[O-] ZINC000710821057 781340750 /nfs/dbraw/zinc/34/07/50/781340750.db2.gz YCWCQTVTUCRCDJ-UHFFFAOYSA-N 2 1 265.357 2.546 20 5 CFBDMP CC(C)[C@H]([NH3+])CC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000596108937 349796389 /nfs/dbraw/zinc/79/63/89/349796389.db2.gz QPNZINAGLJMVLT-CYBMUJFWSA-N 2 1 285.775 2.711 20 5 CFBDMP C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000596648607 349967502 /nfs/dbraw/zinc/96/75/02/349967502.db2.gz SNXJWFNRKFWWRL-LLVKDONJSA-N 2 1 263.341 2.517 20 5 CFBDMP [NH3+]C1(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCCC1 ZINC000596647786 349967880 /nfs/dbraw/zinc/96/78/80/349967880.db2.gz BQCZTGCIDCMPQB-OAHLLOKOSA-N 2 1 289.379 2.833 20 5 CFBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000314381684 348425736 /nfs/dbraw/zinc/42/57/36/348425736.db2.gz QZVBMXXDOGDIBR-INWMFGNUSA-N 2 1 289.379 2.717 20 5 CFBDMP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000591275638 349006031 /nfs/dbraw/zinc/00/60/31/349006031.db2.gz NSLQQEMVQUVTBG-UKRRQHHQSA-N 2 1 291.395 2.648 20 5 CFBDMP C[C@@H]1CC2(C[N@H+]1Cc1ccc([N+](=O)[O-])cc1)CC[NH2+]CC2 ZINC000591658942 349037888 /nfs/dbraw/zinc/03/78/88/349037888.db2.gz YJYVKMLNFIIUGF-CYBMUJFWSA-N 2 1 289.379 2.559 20 5 CFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000593316192 349245666 /nfs/dbraw/zinc/24/56/66/349245666.db2.gz NAZWLHFJPQLPKE-BLLLJJGKSA-N 2 1 291.395 2.853 20 5 CFBDMP Cc1ccc(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000593317798 349246651 /nfs/dbraw/zinc/24/66/51/349246651.db2.gz YOYINBVHOVRYFV-IUODEOHRSA-N 2 1 291.395 2.853 20 5 CFBDMP Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC1([NH3+])CCCCC1 ZINC000414842903 233374938 /nfs/dbraw/zinc/37/49/38/233374938.db2.gz NJMABFJIVZXYGJ-UHFFFAOYSA-N 2 1 277.368 2.654 20 5 CFBDMP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000414910954 233395739 /nfs/dbraw/zinc/39/57/39/233395739.db2.gz CXNQQBORXFQLKA-GUTXKFCHSA-N 2 1 291.395 2.504 20 5 CFBDMP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000414910961 233397701 /nfs/dbraw/zinc/39/77/01/233397701.db2.gz CXNQQBORXFQLKA-NFAWXSAZSA-N 2 1 291.395 2.504 20 5 CFBDMP CC(C)[N@@H+](C)CCNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599038815 350363145 /nfs/dbraw/zinc/36/31/45/350363145.db2.gz UAUKAAKHCPHNBX-UHFFFAOYSA-N 2 1 288.351 2.895 20 5 CFBDMP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000599071827 350371087 /nfs/dbraw/zinc/37/10/87/350371087.db2.gz UKTBSNGFTDWCMY-UONOGXRCSA-N 2 1 291.395 2.977 20 5 CFBDMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000599071827 350371091 /nfs/dbraw/zinc/37/10/91/350371091.db2.gz UKTBSNGFTDWCMY-UONOGXRCSA-N 2 1 291.395 2.977 20 5 CFBDMP CC[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]CC1 ZINC000435379356 240306828 /nfs/dbraw/zinc/30/68/28/240306828.db2.gz BOAJANDLMOVTPC-OAHLLOKOSA-N 2 1 291.395 2.867 20 5 CFBDMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000020047881 372222570 /nfs/dbraw/zinc/22/25/70/372222570.db2.gz OCLRMWIPXCDSTN-AWEZNQCLSA-N 2 1 291.395 2.949 20 5 CFBDMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000020047881 372222577 /nfs/dbraw/zinc/22/25/77/372222577.db2.gz OCLRMWIPXCDSTN-AWEZNQCLSA-N 2 1 291.395 2.949 20 5 CFBDMP C[NH+](C)CCCNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000027552120 372343763 /nfs/dbraw/zinc/34/37/63/372343763.db2.gz YRCLBSXRUSAIST-UHFFFAOYSA-N 2 1 274.324 2.507 20 5 CFBDMP C[C@@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000062078320 373746752 /nfs/dbraw/zinc/74/67/52/373746752.db2.gz BTHIUCSEWZAAHQ-KBPBESRZSA-N 2 1 291.395 2.977 20 5 CFBDMP O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000093453043 375243603 /nfs/dbraw/zinc/24/36/03/375243603.db2.gz DFIPQBYLHAEDFU-QLFBSQMISA-N 2 1 289.379 2.605 20 5 CFBDMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000093516240 375261827 /nfs/dbraw/zinc/26/18/27/375261827.db2.gz WNPUEFTYCPTOJS-ZFWWWQNUSA-N 2 1 291.395 2.995 20 5 CFBDMP Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000368318715 380989121 /nfs/dbraw/zinc/98/91/21/380989121.db2.gz NSFDMRABPKPEGP-GJZGRUSLSA-N 2 1 289.379 2.620 20 5 CFBDMP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000368318715 380989126 /nfs/dbraw/zinc/98/91/26/380989126.db2.gz NSFDMRABPKPEGP-GJZGRUSLSA-N 2 1 289.379 2.620 20 5 CFBDMP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000368318715 380989140 /nfs/dbraw/zinc/98/91/40/380989140.db2.gz NSFDMRABPKPEGP-GJZGRUSLSA-N 2 1 289.379 2.620 20 5 CFBDMP Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000368318711 380990126 /nfs/dbraw/zinc/99/01/26/380990126.db2.gz NSFDMRABPKPEGP-CABCVRRESA-N 2 1 289.379 2.620 20 5 CFBDMP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000368318711 380990141 /nfs/dbraw/zinc/99/01/41/380990141.db2.gz NSFDMRABPKPEGP-CABCVRRESA-N 2 1 289.379 2.620 20 5 CFBDMP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000368318711 380990150 /nfs/dbraw/zinc/99/01/50/380990150.db2.gz NSFDMRABPKPEGP-CABCVRRESA-N 2 1 289.379 2.620 20 5 CFBDMP CC(C)(C)[C@@H](C[NH3+])[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000415051425 381736403 /nfs/dbraw/zinc/73/64/03/381736403.db2.gz JSMOFJSKHNMAKV-IZPAUZPXSA-N 2 1 277.368 2.571 20 5 CFBDMP Cc1ccc(C[NH2+][C@H](C[NH3+])C2CCCC2)cc1[N+](=O)[O-] ZINC000415066347 381752068 /nfs/dbraw/zinc/75/20/68/381752068.db2.gz OKMPIUYZCITXSG-CQSZACIVSA-N 2 1 277.368 2.510 20 5 CFBDMP Cc1c([C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000293282474 382062895 /nfs/dbraw/zinc/06/28/95/382062895.db2.gz CWDCFQCRMYEDRN-WCQYABFASA-N 2 1 279.384 2.752 20 5 CFBDMP [NH3+]CC[C@@H]1CCCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000352526636 382380855 /nfs/dbraw/zinc/38/08/55/382380855.db2.gz QAYGPIZLMKFLLN-PKYBCLHXSA-N 2 1 289.379 2.811 20 5 CFBDMP [NH3+]CC[C@@H]1CCCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000352526636 382380860 /nfs/dbraw/zinc/38/08/60/382380860.db2.gz QAYGPIZLMKFLLN-PKYBCLHXSA-N 2 1 289.379 2.811 20 5 CFBDMP CC[NH+](CC)[C@@H](C)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449077626 383164626 /nfs/dbraw/zinc/16/46/26/383164626.db2.gz WESYGENVIZCDQA-KGLIPLIRSA-N 2 1 293.411 2.846 20 5 CFBDMP O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250075938 383370219 /nfs/dbraw/zinc/37/02/19/383370219.db2.gz DFIPQBYLHAEDFU-RBSFLKMASA-N 2 1 289.379 2.605 20 5 CFBDMP C[NH2+]CCC1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000261970662 383588353 /nfs/dbraw/zinc/58/83/53/383588353.db2.gz CXCKIJRAGJJXQM-UHFFFAOYSA-N 2 1 295.358 2.555 20 5 CFBDMP C[C@@H](CC[NH+](C)C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000572984322 383852993 /nfs/dbraw/zinc/85/29/93/383852993.db2.gz AACBSSRXJKMNJC-FZMZJTMJSA-N 2 1 277.368 2.512 20 5 CFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277398379 384289931 /nfs/dbraw/zinc/28/99/31/384289931.db2.gz HLPJCPCYPXDEFJ-OAHLLOKOSA-N 2 1 291.395 2.819 20 5 CFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277398379 384289938 /nfs/dbraw/zinc/28/99/38/384289938.db2.gz HLPJCPCYPXDEFJ-OAHLLOKOSA-N 2 1 291.395 2.819 20 5 CFBDMP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423327602 533438589 /nfs/dbraw/zinc/43/85/89/533438589.db2.gz LLWJAZBOFMLEJO-IUODEOHRSA-N 2 1 277.368 2.635 20 5 CFBDMP Cc1c([C@H](C)[NH2+][C@H](C)CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000269070673 132107894 /nfs/dbraw/zinc/10/78/94/132107894.db2.gz ZXXARTKZAGRDHM-YPMHNXCESA-N 2 1 279.384 2.894 20 5 CFBDMP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000226332710 393770758 /nfs/dbraw/zinc/77/07/58/393770758.db2.gz UEVKWQHKJPEGLY-OBJOEFQTSA-N 2 1 277.368 2.715 20 5 CFBDMP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000226332710 393770761 /nfs/dbraw/zinc/77/07/61/393770761.db2.gz UEVKWQHKJPEGLY-OBJOEFQTSA-N 2 1 277.368 2.715 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000420306696 292296312 /nfs/dbraw/zinc/29/63/12/292296312.db2.gz AUEBHYAGZOJQOJ-IHRRRGAJSA-N 2 1 289.379 2.506 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000420306696 292296314 /nfs/dbraw/zinc/29/63/14/292296314.db2.gz AUEBHYAGZOJQOJ-IHRRRGAJSA-N 2 1 289.379 2.506 20 5 CFBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C1CC[NH+](C)CC1 ZINC000344789398 162122003 /nfs/dbraw/zinc/12/20/03/162122003.db2.gz HCRAYGLGKAIQBJ-JLHYYAGUSA-N 2 1 289.379 2.682 20 5 CFBDMP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@H]2CCC[C@@H]21 ZINC000353408730 163358474 /nfs/dbraw/zinc/35/84/74/163358474.db2.gz VAPGOPZNGMXGHH-YCPHGPKFSA-N 2 1 289.379 2.557 20 5 CFBDMP [NH3+]CC[C@@H]1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000442920082 227209458 /nfs/dbraw/zinc/20/94/58/227209458.db2.gz GJPDKECVIVANKO-GBXSZLQWSA-N 2 1 289.379 2.669 20 5 CFBDMP CC(C)[C@@H]([NH3+])C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423266230 273546026 /nfs/dbraw/zinc/54/60/26/273546026.db2.gz DGSUIZBLRWBZLH-GJZGRUSLSA-N 2 1 277.368 2.545 20 5 CFBDMP CC1(C)C[C@H]([NH2+]C[C@@H]([NH3+])C2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000423339173 273589145 /nfs/dbraw/zinc/58/91/45/273589145.db2.gz ZHPXDAMBGVEGAF-CABCVRRESA-N 2 1 289.379 2.644 20 5 CFBDMP CC[NH+]1CCC([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449065779 276151888 /nfs/dbraw/zinc/15/18/88/276151888.db2.gz WEOUBEHBNIVHRM-CYBMUJFWSA-N 2 1 291.395 2.600 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000420300905 281021962 /nfs/dbraw/zinc/02/19/62/281021962.db2.gz DHXDICPFPQJHDQ-AGIUHOORSA-N 2 1 277.368 2.633 20 5 CFBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252867194 290251600 /nfs/dbraw/zinc/25/16/00/290251600.db2.gz QTZLMXSNAADVME-SHPPOPEUSA-N 2 1 289.379 2.715 20 5 CFBDMP C[NH+](C)CC(C)(C)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000584123727 325332708 /nfs/dbraw/zinc/33/27/08/325332708.db2.gz GYWGGBDMHWZIFR-AWEZNQCLSA-N 2 1 291.395 2.760 20 5 CFBDMP C[C@H]([NH2+]CC1([NH3+])CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000423174442 533836626 /nfs/dbraw/zinc/83/66/26/533836626.db2.gz ARGNLJYCZLHMPF-LBPRGKRZSA-N 2 1 277.368 2.907 20 5 CFBDMP Cc1c([C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)cccc1[N+](=O)[O-] ZINC000423272259 533943576 /nfs/dbraw/zinc/94/35/76/533943576.db2.gz JTOMMWNOKNCPJU-DGCLKSJQSA-N 2 1 265.357 2.537 20 5 CFBDMP CCC[NH2+]CC[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000414867831 528514928 /nfs/dbraw/zinc/51/49/28/528514928.db2.gz JKZGYSSWJQSKKZ-CYBMUJFWSA-N 2 1 279.384 2.505 20 5 CFBDMP CCC([NH3+])(CC)C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000414805356 528948518 /nfs/dbraw/zinc/94/85/18/528948518.db2.gz ORFPFAUPYZCGIG-UHFFFAOYSA-N 2 1 265.357 2.510 20 5 CFBDMP CC[C@@H]([NH2+]C[C@@H]([NH3+])C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000423275657 529173344 /nfs/dbraw/zinc/17/33/44/529173344.db2.gz NHMBMWHNAIDZMX-ZIAGYGMSSA-N 2 1 265.357 2.619 20 5 CFBDMP CC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1 ZINC000435622710 535790077 /nfs/dbraw/zinc/79/00/77/535790077.db2.gz AEDDRASREPLNII-AWEZNQCLSA-N 2 1 277.368 2.559 20 5 CFBDMP CC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1 ZINC000435622710 535790080 /nfs/dbraw/zinc/79/00/80/535790080.db2.gz AEDDRASREPLNII-AWEZNQCLSA-N 2 1 277.368 2.559 20 5 CFBDMP CC[C@@H]([NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]1 ZINC000902428950 621075889 /nfs/dbraw/zinc/07/58/89/621075889.db2.gz INPCPBHDCUXOGG-CFVMTHIKSA-N 2 1 291.395 2.819 20 5 CFBDMP C[NH2+]CC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000063166311 623328845 /nfs/dbraw/zinc/32/88/45/623328845.db2.gz VFBVRPCDTXYIJA-UHFFFAOYSA-N 2 1 297.786 2.680 20 5 CFBDMP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923497913 626477108 /nfs/dbraw/zinc/47/71/08/626477108.db2.gz NEURJZRHJWDHIF-FRRDWIJNSA-N 2 1 277.368 2.573 20 5 CFBDMP C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC[C@H]1C[NH3+] ZINC000923499202 626477380 /nfs/dbraw/zinc/47/73/80/626477380.db2.gz RHHBADVGRISYGJ-MNOVXSKESA-N 2 1 297.786 2.665 20 5 CFBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000873048310 641994978 /nfs/dbraw/zinc/99/49/78/641994978.db2.gz WHOPVLLICIEHSY-AWEZNQCLSA-N 2 1 291.395 2.643 20 5 CFBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000873048310 641994984 /nfs/dbraw/zinc/99/49/84/641994984.db2.gz WHOPVLLICIEHSY-AWEZNQCLSA-N 2 1 291.395 2.643 20 5 CFBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723887255 770706972 /nfs/dbraw/zinc/70/69/72/770706972.db2.gz KZGWIFULBJMLBL-YRGRVCCFSA-N 2 1 277.368 2.573 20 5 CFBDMP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723888165 770707109 /nfs/dbraw/zinc/70/71/09/770707109.db2.gz XHJJIRSVRURSRQ-FRRDWIJNSA-N 2 1 277.368 2.573 20 5 CFBDMP C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1CC[NH3+] ZINC000723892656 770707644 /nfs/dbraw/zinc/70/76/44/770707644.db2.gz SZIMYCOVTHKTQY-GHMZBOCLSA-N 2 1 297.786 2.665 20 5 CFBDMP C[N+](C)(C)CCO[C@H]1CC[N@@H+](Cc2ccccc2Cl)C1 ZINC001224776491 775271828 /nfs/dbraw/zinc/27/18/28/775271828.db2.gz WKNUUUFMJIYPAS-HNNXBMFYSA-N 2 1 297.850 2.637 20 5 CFBDMP O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000038000157 346336995 /nfs/dbraw/zinc/33/69/95/346336995.db2.gz ADEDHLPMQMLCFK-ZBFHGGJFSA-N 2 1 289.379 2.559 20 5 CFBDMP O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000038000157 346336999 /nfs/dbraw/zinc/33/69/99/346336999.db2.gz ADEDHLPMQMLCFK-ZBFHGGJFSA-N 2 1 289.379 2.559 20 5 CFBDMP Cc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCCC2)cc1[N+](=O)[O-] ZINC000596647756 349967461 /nfs/dbraw/zinc/96/74/61/349967461.db2.gz BBZIXCSQRNFEMA-GFCCVEGCSA-N 2 1 277.368 2.825 20 5 CFBDMP C[C@H]1CC2(C[N@H+]1Cc1cccc([N+](=O)[O-])c1)CC[NH2+]CC2 ZINC000591658936 349037910 /nfs/dbraw/zinc/03/79/10/349037910.db2.gz SRADMJKXBZSGEN-ZDUSSCGKSA-N 2 1 289.379 2.559 20 5 CFBDMP C[N@H+]1CC[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000598962104 350349838 /nfs/dbraw/zinc/34/98/38/350349838.db2.gz RXIDHZPZHALECU-AWEZNQCLSA-N 2 1 291.395 2.600 20 5 CFBDMP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000601970488 350821616 /nfs/dbraw/zinc/82/16/16/350821616.db2.gz KAEOTQLLBFXANW-GFCCVEGCSA-N 2 1 295.358 2.602 20 5 CFBDMP Cc1c([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cccc1[N+](=O)[O-] ZINC000271807963 191340189 /nfs/dbraw/zinc/34/01/89/191340189.db2.gz ADSNAQPLHQWSSN-CYBMUJFWSA-N 2 1 289.379 2.816 20 5 CFBDMP CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]CC1 ZINC000435630132 240335724 /nfs/dbraw/zinc/33/57/24/240335724.db2.gz ZSJRVRHJLZLFPT-HNNXBMFYSA-N 2 1 291.395 2.601 20 5 CFBDMP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000020087914 372226262 /nfs/dbraw/zinc/22/62/62/372226262.db2.gz REENILFADMUNTC-LBPRGKRZSA-N 2 1 279.384 2.833 20 5 CFBDMP CC[NH+](CC)CCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020090574 372228231 /nfs/dbraw/zinc/22/82/31/372228231.db2.gz FQNKSUZBRSPNJE-CYBMUJFWSA-N 2 1 279.384 2.977 20 5 CFBDMP Cc1ccc(C[NH2+]CCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000035015367 372529848 /nfs/dbraw/zinc/52/98/48/372529848.db2.gz QCLGRYRPZNCUIN-UHFFFAOYSA-N 2 1 291.395 2.869 20 5 CFBDMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000093516241 375262048 /nfs/dbraw/zinc/26/20/48/375262048.db2.gz WNPUEFTYCPTOJS-HIFRSBDPSA-N 2 1 291.395 2.995 20 5 CFBDMP CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)CC1CC[NH2+]CC1 ZINC000094012312 375335948 /nfs/dbraw/zinc/33/59/48/375335948.db2.gz BFZDKBCKBPJYEY-UHFFFAOYSA-N 2 1 291.395 2.805 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC[NH+](C)C ZINC000151931310 378374129 /nfs/dbraw/zinc/37/41/29/378374129.db2.gz BJXAMMRHZVWLNJ-GFCCVEGCSA-N 2 1 265.357 2.506 20 5 CFBDMP C[C@@H](CC[NH+](C)C)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278888141 194197671 /nfs/dbraw/zinc/19/76/71/194197671.db2.gz YKDGFCAOSWSNDR-LRDDRELGSA-N 2 1 291.395 2.902 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000420287645 382342139 /nfs/dbraw/zinc/34/21/39/382342139.db2.gz IHGYCMQFGNKNGO-LBPRGKRZSA-N 2 1 279.384 2.881 20 5 CFBDMP C[NH+](C)CCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192593174 382710509 /nfs/dbraw/zinc/71/05/09/382710509.db2.gz YOOPFBICHRQZJH-OAHLLOKOSA-N 2 1 277.368 2.514 20 5 CFBDMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000248146977 383214796 /nfs/dbraw/zinc/21/47/96/383214796.db2.gz QIBUIMJEOOLHOI-DZGCQCFKSA-N 2 1 289.379 2.511 20 5 CFBDMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000248146977 383214798 /nfs/dbraw/zinc/21/47/98/383214798.db2.gz QIBUIMJEOOLHOI-DZGCQCFKSA-N 2 1 289.379 2.511 20 5 CFBDMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000248146977 383214799 /nfs/dbraw/zinc/21/47/99/383214799.db2.gz QIBUIMJEOOLHOI-DZGCQCFKSA-N 2 1 289.379 2.511 20 5 CFBDMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000248146977 383214801 /nfs/dbraw/zinc/21/48/01/383214801.db2.gz QIBUIMJEOOLHOI-DZGCQCFKSA-N 2 1 289.379 2.511 20 5 CFBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253196000 383448327 /nfs/dbraw/zinc/44/83/27/383448327.db2.gz SEYIPTPMYNOWLA-JHJVBQTASA-N 2 1 277.368 2.573 20 5 CFBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253196000 383448334 /nfs/dbraw/zinc/44/83/34/383448334.db2.gz SEYIPTPMYNOWLA-JHJVBQTASA-N 2 1 277.368 2.573 20 5 CFBDMP O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415038589 285112206 /nfs/dbraw/zinc/11/22/06/285112206.db2.gz HZUJLDVNDULHDI-HOCLYGCPSA-N 2 1 289.379 2.559 20 5 CFBDMP O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415038589 285112209 /nfs/dbraw/zinc/11/22/09/285112209.db2.gz HZUJLDVNDULHDI-HOCLYGCPSA-N 2 1 289.379 2.559 20 5 CFBDMP CC(C)[N@@H+](C)CCCN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284031384 385525898 /nfs/dbraw/zinc/52/58/98/385525898.db2.gz JICVUIPJTLXQEJ-GFCCVEGCSA-N 2 1 294.399 2.558 20 5 CFBDMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284031384 385525901 /nfs/dbraw/zinc/52/59/01/385525901.db2.gz JICVUIPJTLXQEJ-GFCCVEGCSA-N 2 1 294.399 2.558 20 5 CFBDMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284031384 385525905 /nfs/dbraw/zinc/52/59/05/385525905.db2.gz JICVUIPJTLXQEJ-GFCCVEGCSA-N 2 1 294.399 2.558 20 5 CFBDMP C[NH2+]CCC[N@H+](C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000420385321 394119026 /nfs/dbraw/zinc/11/90/26/394119026.db2.gz HKBFFOBZVYVVDL-GFCCVEGCSA-N 2 1 265.357 2.506 20 5 CFBDMP C[NH2+]CCC[N@@H+](C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000420385321 394119033 /nfs/dbraw/zinc/11/90/33/394119033.db2.gz HKBFFOBZVYVVDL-GFCCVEGCSA-N 2 1 265.357 2.506 20 5 CFBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000423515948 394288199 /nfs/dbraw/zinc/28/81/99/394288199.db2.gz XRDGWIFGGYHBPJ-WFASDCNBSA-N 2 1 291.395 2.633 20 5 CFBDMP Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000575600593 395091397 /nfs/dbraw/zinc/09/13/97/395091397.db2.gz XLVMVKBRWCYCTM-AWEZNQCLSA-N 2 1 291.395 2.723 20 5 CFBDMP Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000575600593 395091400 /nfs/dbraw/zinc/09/14/00/395091400.db2.gz XLVMVKBRWCYCTM-AWEZNQCLSA-N 2 1 291.395 2.723 20 5 CFBDMP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@H]2CCC[C@H]21 ZINC000353408728 163359879 /nfs/dbraw/zinc/35/98/79/163359879.db2.gz VAPGOPZNGMXGHH-IJEWVQPXSA-N 2 1 289.379 2.557 20 5 CFBDMP CC[NH+](CC)CCC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000034995308 171923692 /nfs/dbraw/zinc/92/36/92/171923692.db2.gz LZFZPBXKWZZBIV-UHFFFAOYSA-N 2 1 279.384 2.725 20 5 CFBDMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000044534268 175197119 /nfs/dbraw/zinc/19/71/19/175197119.db2.gz XDECNNIGFMSAIK-STQMWFEESA-N 2 1 277.368 2.587 20 5 CFBDMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000044534268 175197120 /nfs/dbraw/zinc/19/71/20/175197120.db2.gz XDECNNIGFMSAIK-STQMWFEESA-N 2 1 277.368 2.587 20 5 CFBDMP Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000044534306 175197363 /nfs/dbraw/zinc/19/73/63/175197363.db2.gz UKAZFNOYKOWBAQ-UONOGXRCSA-N 2 1 291.395 2.896 20 5 CFBDMP Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000044534306 175197364 /nfs/dbraw/zinc/19/73/64/175197364.db2.gz UKAZFNOYKOWBAQ-UONOGXRCSA-N 2 1 291.395 2.896 20 5 CFBDMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000044534125 175197804 /nfs/dbraw/zinc/19/78/04/175197804.db2.gz YQKQOUWAJLXWJN-BBRMVZONSA-N 2 1 291.395 2.977 20 5 CFBDMP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000037177079 278257966 /nfs/dbraw/zinc/25/79/66/278257966.db2.gz OVTBYWGKXANVQS-ZDUSSCGKSA-N 2 1 277.368 2.731 20 5 CFBDMP CC[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000423372725 288090165 /nfs/dbraw/zinc/09/01/65/288090165.db2.gz IPIIWINQKKAAGZ-ZLDLUXBVSA-N 2 1 277.368 2.776 20 5 CFBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CCC[NH+](C)C ZINC000516348344 281302913 /nfs/dbraw/zinc/30/29/13/281302913.db2.gz SXKPOVLDFGKSGR-SDNWHVSQSA-N 2 1 291.395 2.882 20 5 CFBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)CCC[NH+](C)C ZINC000516348344 281302914 /nfs/dbraw/zinc/30/29/14/281302914.db2.gz SXKPOVLDFGKSGR-SDNWHVSQSA-N 2 1 291.395 2.882 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000563153314 290109598 /nfs/dbraw/zinc/10/95/98/290109598.db2.gz RDESFFVHYMBFOU-OLZOCXBDSA-N 2 1 277.368 2.635 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000563153314 290109600 /nfs/dbraw/zinc/10/96/00/290109600.db2.gz RDESFFVHYMBFOU-OLZOCXBDSA-N 2 1 277.368 2.635 20 5 CFBDMP CC[NH2+]CCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000572951358 322638021 /nfs/dbraw/zinc/63/80/21/322638021.db2.gz HPAMXYNQCNKAEO-GFCCVEGCSA-N 2 1 265.357 2.553 20 5 CFBDMP Cc1ccc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1[N+](=O)[O-] ZINC000414832827 534081093 /nfs/dbraw/zinc/08/10/93/534081093.db2.gz DYOVMLVGKUTRTN-HNNXBMFYSA-N 2 1 291.395 2.900 20 5 CFBDMP CC(C)c1ccc(C[NH2+]CC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000414913446 528100424 /nfs/dbraw/zinc/10/04/24/528100424.db2.gz ZWLSZYGBQWRXMH-CQSZACIVSA-N 2 1 291.395 2.950 20 5 CFBDMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423299970 528821463 /nfs/dbraw/zinc/82/14/63/528821463.db2.gz QPMDXWKUZIXPMC-OCCSQVGLSA-N 2 1 279.384 2.633 20 5 CFBDMP CCC[C@@H]([NH2+]CC1([NH3+])CCC1)c1cccc([N+](=O)[O-])c1 ZINC000423319360 529005664 /nfs/dbraw/zinc/00/56/64/529005664.db2.gz FCDXMHCTARLMRD-CQSZACIVSA-N 2 1 277.368 2.907 20 5 CFBDMP CC[C@@H]([NH2+]CCn1cc[nH+]c1C)c1cccc([N+](=O)[O-])c1 ZINC000268782902 535804171 /nfs/dbraw/zinc/80/41/71/535804171.db2.gz CRTULGMKFXXWNU-OAHLLOKOSA-N 2 1 288.351 2.841 20 5 CFBDMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000742207137 574319096 /nfs/dbraw/zinc/31/90/96/574319096.db2.gz QZRJCOPCAIBAOS-HIFRSBDPSA-N 2 1 291.395 2.723 20 5 CFBDMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000742207137 574319098 /nfs/dbraw/zinc/31/90/98/574319098.db2.gz QZRJCOPCAIBAOS-HIFRSBDPSA-N 2 1 291.395 2.723 20 5 CFBDMP Cc1c(C[N@H+](C)C2CCC([NH3+])CC2)cccc1[N+](=O)[O-] ZINC000091846398 618685264 /nfs/dbraw/zinc/68/52/64/618685264.db2.gz UIKJFZHEIRSPJD-UHFFFAOYSA-N 2 1 277.368 2.605 20 5 CFBDMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000897464884 620177222 /nfs/dbraw/zinc/17/72/22/620177222.db2.gz PXOKVIBPWQEIGA-HZSPNIEDSA-N 2 1 291.395 2.771 20 5 CFBDMP CCC[C@H]([NH2+]CC1([NH3+])CC1)c1cccc([N+](=O)[O-])c1 ZINC000902414473 621084409 /nfs/dbraw/zinc/08/44/09/621084409.db2.gz BFTCSYSSBGDBPW-ZDUSSCGKSA-N 2 1 263.341 2.517 20 5 CFBDMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000817906725 632728499 /nfs/dbraw/zinc/72/84/99/632728499.db2.gz DFXFJYGZDKXFRD-IINYFYTJSA-N 2 1 297.786 2.726 20 5 CFBDMP Cc1ccc(CN[C@H]2CC[N@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000865788140 638574708 /nfs/dbraw/zinc/57/47/08/638574708.db2.gz ZTPQYBZCUNZONV-AWEZNQCLSA-N 2 1 291.395 2.866 20 5 CFBDMP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000865788140 638574713 /nfs/dbraw/zinc/57/47/13/638574713.db2.gz ZTPQYBZCUNZONV-AWEZNQCLSA-N 2 1 291.395 2.866 20 5 CFBDMP CC[N@H+]1CC[C@H](C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000873015635 641985127 /nfs/dbraw/zinc/98/51/27/641985127.db2.gz RKRQVRWOSQBXGU-CQSZACIVSA-N 2 1 291.395 2.643 20 5 CFBDMP Cc1[nH+]ccn1CCC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873016712 641985509 /nfs/dbraw/zinc/98/55/09/641985509.db2.gz PYDIUESSEAUVSL-UHFFFAOYSA-N 2 1 288.351 2.588 20 5 CFBDMP Cc1c(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000873069559 642002974 /nfs/dbraw/zinc/00/29/74/642002974.db2.gz JYYLJZBRNCRHDF-HUUCEWRRSA-N 2 1 291.395 2.866 20 5 CFBDMP CC[NH+](CC)CCC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000035648740 649265786 /nfs/dbraw/zinc/26/57/86/649265786.db2.gz AUVFHMUSHXRTLF-UHFFFAOYSA-N 2 1 279.384 2.725 20 5 CFBDMP CCCC[N@H+](CC[N+](=O)[O-])C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931032929 649367647 /nfs/dbraw/zinc/36/76/47/649367647.db2.gz CGEZXQDUGJNGMN-UHFFFAOYSA-N 2 1 285.432 2.674 20 5 CFBDMP CCCC[N@@H+](CC[N+](=O)[O-])C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931032929 649367651 /nfs/dbraw/zinc/36/76/51/649367651.db2.gz CGEZXQDUGJNGMN-UHFFFAOYSA-N 2 1 285.432 2.674 20 5 CFBDMP C[C@@H]1CC2(C[N@H+]1Cc1cccc([N+](=O)[O-])c1)CC[NH2+]CC2 ZINC000591658935 349037499 /nfs/dbraw/zinc/03/74/99/349037499.db2.gz SRADMJKXBZSGEN-CYBMUJFWSA-N 2 1 289.379 2.559 20 5 CFBDMP [NH3+]C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000414856720 233380424 /nfs/dbraw/zinc/38/04/24/233380424.db2.gz ZJQCFBSHYRRHCL-HNNXBMFYSA-N 2 1 277.368 2.592 20 5 CFBDMP Cc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000422560809 237103259 /nfs/dbraw/zinc/10/32/59/237103259.db2.gz HQOKBVRUZXQMIH-YDHLFZDLSA-N 2 1 291.395 2.708 20 5 CFBDMP Cc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000422560809 237103263 /nfs/dbraw/zinc/10/32/63/237103263.db2.gz HQOKBVRUZXQMIH-YDHLFZDLSA-N 2 1 291.395 2.708 20 5 CFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422560813 237103558 /nfs/dbraw/zinc/10/35/58/237103558.db2.gz HRQFFFYSXGTTAC-KYOSRNDESA-N 2 1 291.395 2.708 20 5 CFBDMP Cc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000423364662 238408318 /nfs/dbraw/zinc/40/83/18/238408318.db2.gz CQXLRUSHOQFNNP-OBJOEFQTSA-N 2 1 277.368 2.552 20 5 CFBDMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000037140824 372654048 /nfs/dbraw/zinc/65/40/48/372654048.db2.gz KHKSYWACWIQDQS-LBPRGKRZSA-N 2 1 289.379 2.872 20 5 CFBDMP Cc1ccc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000057994322 373620904 /nfs/dbraw/zinc/62/09/04/373620904.db2.gz IUXFBIFTQUVVJH-ZDUSSCGKSA-N 2 1 291.395 2.725 20 5 CFBDMP C[C@@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000415128973 381796744 /nfs/dbraw/zinc/79/67/44/381796744.db2.gz OZAVTSLIQZKFES-ZZEYUXRUSA-N 2 1 289.379 2.525 20 5 CFBDMP C[C@@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000415128973 381796750 /nfs/dbraw/zinc/79/67/50/381796750.db2.gz OZAVTSLIQZKFES-ZZEYUXRUSA-N 2 1 289.379 2.525 20 5 CFBDMP C[C@@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C[NH+](C)C ZINC000293776991 382275268 /nfs/dbraw/zinc/27/52/68/382275268.db2.gz SYCSCLQUGHHEHW-LRDDRELGSA-N 2 1 291.395 2.760 20 5 CFBDMP O=[N+]([O-])c1ccccc1C[N@@H+](CC[C@H]1CC[NH2+]C1)C1CC1 ZINC000420356249 382380888 /nfs/dbraw/zinc/38/08/88/382380888.db2.gz GJMKDQXMKSBTTO-CYBMUJFWSA-N 2 1 289.379 2.559 20 5 CFBDMP C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]1 ZINC000423041805 383025836 /nfs/dbraw/zinc/02/58/36/383025836.db2.gz JWNKZJZGYGCFOO-GWCFXTLKSA-N 2 1 297.786 2.521 20 5 CFBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCC[NH+]1CCC1 ZINC000514953472 270359252 /nfs/dbraw/zinc/35/92/52/270359252.db2.gz XDBAMEWUIHGNQT-KAMYIIQDSA-N 2 1 289.379 2.684 20 5 CFBDMP O=[N+]([O-])c1ccccc1C[N@@H+](CC1CC[NH2+]CC1)C1CC1 ZINC000094021659 275039780 /nfs/dbraw/zinc/03/97/80/275039780.db2.gz XHNFAKFJNHYEOL-UHFFFAOYSA-N 2 1 289.379 2.559 20 5 CFBDMP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000049553702 279258150 /nfs/dbraw/zinc/25/81/50/279258150.db2.gz MHQWFQVFEKAPSS-NEPJUHHUSA-N 2 1 265.357 2.586 20 5 CFBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226325126 290251111 /nfs/dbraw/zinc/25/11/11/290251111.db2.gz CKCNDLFOCSCTKZ-OLZOCXBDSA-N 2 1 277.368 2.717 20 5 CFBDMP CC[NH+]1CCC([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000566474187 290390644 /nfs/dbraw/zinc/39/06/44/290390644.db2.gz FPYQCQRQTWTXPF-HNNXBMFYSA-N 2 1 289.379 2.656 20 5 CFBDMP Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000295056960 524572457 /nfs/dbraw/zinc/57/24/57/524572457.db2.gz PZHNXGVOJXZJPH-GOOCMWNKSA-N 2 1 289.379 2.618 20 5 CFBDMP Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC000295056960 524572460 /nfs/dbraw/zinc/57/24/60/524572460.db2.gz PZHNXGVOJXZJPH-GOOCMWNKSA-N 2 1 289.379 2.618 20 5 CFBDMP Cc1c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000157919640 525729887 /nfs/dbraw/zinc/72/98/87/525729887.db2.gz CBWVAYOWGNJQNL-LSDHHAIUSA-N 2 1 289.379 2.620 20 5 CFBDMP Cc1c(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000157919640 525729893 /nfs/dbraw/zinc/72/98/93/525729893.db2.gz CBWVAYOWGNJQNL-LSDHHAIUSA-N 2 1 289.379 2.620 20 5 CFBDMP CCC[NH2+]CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423306028 528514913 /nfs/dbraw/zinc/51/49/13/528514913.db2.gz DFTMLAIECMQTNX-HNNXBMFYSA-N 2 1 291.395 2.505 20 5 CFBDMP C[C@@]1(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCC[NH2+]C1 ZINC000841058386 620422951 /nfs/dbraw/zinc/42/29/51/620422951.db2.gz WWEONBUWYZWBCB-CQSZACIVSA-N 2 1 297.786 2.728 20 5 CFBDMP C[C@@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000903287783 621318904 /nfs/dbraw/zinc/31/89/04/621318904.db2.gz PYEAFUUMGYGPRW-INWMFGNUSA-N 2 1 289.379 2.872 20 5 CFBDMP C[C@@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000903287783 621318909 /nfs/dbraw/zinc/31/89/09/621318909.db2.gz PYEAFUUMGYGPRW-INWMFGNUSA-N 2 1 289.379 2.872 20 5 CFBDMP C[N@H+](Cc1ccccc1[N+](=O)[O-])CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903884440 621463792 /nfs/dbraw/zinc/46/37/92/621463792.db2.gz ZUQXRZOROUODCJ-LQDVMPOASA-N 2 1 289.379 2.557 20 5 CFBDMP C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC[C@@H]1C[NH3+] ZINC000904411584 621592473 /nfs/dbraw/zinc/59/24/73/621592473.db2.gz NTKRBWHJMUWSJR-GHMZBOCLSA-N 2 1 297.786 2.665 20 5 CFBDMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000841056092 631323616 /nfs/dbraw/zinc/32/36/16/631323616.db2.gz XQMWLBMGOBTIBU-GHMZBOCLSA-N 2 1 283.759 2.608 20 5 CFBDMP O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000886865518 647164257 /nfs/dbraw/zinc/16/42/57/647164257.db2.gz MVSPFKPICIPLEB-INIZCTEOSA-N 2 1 289.379 2.560 20 5 CFBDMP O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000886865518 647164261 /nfs/dbraw/zinc/16/42/61/647164261.db2.gz MVSPFKPICIPLEB-INIZCTEOSA-N 2 1 289.379 2.560 20 5 CFBDMP C[N@@H+](CCCCCC[NH3+])Cc1csc([N+](=O)[O-])c1 ZINC000710752234 781336912 /nfs/dbraw/zinc/33/69/12/781336912.db2.gz XTHITBCKJCXUHP-UHFFFAOYSA-N 2 1 271.386 2.607 20 5 CFBDMP C[NH2+]CCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414858614 529970901 /nfs/dbraw/zinc/97/09/01/529970901.db2.gz KGTCNTXOWIHQNI-UHFFFAOYSA-N 2 1 289.335 2.554 20 5 CFBDMP CC[C@@H]([NH2+]CC1([NH3+])CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000596648626 349967929 /nfs/dbraw/zinc/96/79/29/349967929.db2.gz SYTQLUILUWZJKQ-CQSZACIVSA-N 2 1 277.368 2.907 20 5 CFBDMP CC[C@H]([NH2+]CC1([NH3+])CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000596648625 349967951 /nfs/dbraw/zinc/96/79/51/349967951.db2.gz SYTQLUILUWZJKQ-AWEZNQCLSA-N 2 1 277.368 2.907 20 5 CFBDMP CC[C@@H]1C[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000122318049 347815491 /nfs/dbraw/zinc/81/54/91/347815491.db2.gz NYTGZHXDQPRIBR-ZOWXZIJZSA-N 2 1 277.368 2.715 20 5 CFBDMP CC[C@@H]1C[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000122318049 347815496 /nfs/dbraw/zinc/81/54/96/347815496.db2.gz NYTGZHXDQPRIBR-ZOWXZIJZSA-N 2 1 277.368 2.715 20 5 CFBDMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000414170020 233185895 /nfs/dbraw/zinc/18/58/95/233185895.db2.gz BLPUCVHDNPXRRD-KGLIPLIRSA-N 2 1 291.395 2.977 20 5 CFBDMP Cc1ccc(C[N@H+](C2CC2)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000592424275 349118464 /nfs/dbraw/zinc/11/84/64/349118464.db2.gz AVBKFHUWYKXKGU-UHFFFAOYSA-N 2 1 289.379 2.620 20 5 CFBDMP Cc1ccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000592424275 349118466 /nfs/dbraw/zinc/11/84/66/349118466.db2.gz AVBKFHUWYKXKGU-UHFFFAOYSA-N 2 1 289.379 2.620 20 5 CFBDMP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414833508 233371918 /nfs/dbraw/zinc/37/19/18/233371918.db2.gz FVPRUUYJKDQVRK-MRXNPFEDSA-N 2 1 291.395 2.900 20 5 CFBDMP C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000602877667 351054690 /nfs/dbraw/zinc/05/46/90/351054690.db2.gz JBHYJAMWTOPTOJ-UHFFFAOYSA-N 2 1 289.379 2.513 20 5 CFBDMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000158660701 188388285 /nfs/dbraw/zinc/38/82/85/188388285.db2.gz KUEKHMYWLVJCRK-ZBFHGGJFSA-N 2 1 289.379 2.511 20 5 CFBDMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000158660701 188388286 /nfs/dbraw/zinc/38/82/86/188388286.db2.gz KUEKHMYWLVJCRK-ZBFHGGJFSA-N 2 1 289.379 2.511 20 5 CFBDMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000158660701 188388289 /nfs/dbraw/zinc/38/82/89/188388289.db2.gz KUEKHMYWLVJCRK-ZBFHGGJFSA-N 2 1 289.379 2.511 20 5 CFBDMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000158660701 188388290 /nfs/dbraw/zinc/38/82/90/188388290.db2.gz KUEKHMYWLVJCRK-ZBFHGGJFSA-N 2 1 289.379 2.511 20 5 CFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422560814 237104551 /nfs/dbraw/zinc/10/45/51/237104551.db2.gz HRQFFFYSXGTTAC-LNSITVRQSA-N 2 1 291.395 2.708 20 5 CFBDMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000422917285 237346609 /nfs/dbraw/zinc/34/66/09/237346609.db2.gz FVSXOXWOMYVFRY-BBRMVZONSA-N 2 1 291.395 2.505 20 5 CFBDMP C[NH+](C)CCC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433146502 240109927 /nfs/dbraw/zinc/10/99/27/240109927.db2.gz VNBLJDBBFLWMMI-OAHLLOKOSA-N 2 1 291.395 2.859 20 5 CFBDMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000037644220 372681683 /nfs/dbraw/zinc/68/16/83/372681683.db2.gz ADUDLOGLTKLQOT-KBPBESRZSA-N 2 1 291.395 2.896 20 5 CFBDMP Cc1c([C@H](C)[NH2+]CCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000151931739 378374154 /nfs/dbraw/zinc/37/41/54/378374154.db2.gz HLUXYVQGNIAWEB-LBPRGKRZSA-N 2 1 265.357 2.506 20 5 CFBDMP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000332309350 378745457 /nfs/dbraw/zinc/74/54/57/378745457.db2.gz OWSCYQCGGKXMLJ-BZUAXINKSA-N 2 1 289.379 2.832 20 5 CFBDMP CC[NH+](CC)[C@H](C)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449077629 284810596 /nfs/dbraw/zinc/81/05/96/284810596.db2.gz WESYGENVIZCDQA-ZIAGYGMSSA-N 2 1 293.411 2.846 20 5 CFBDMP CC(C)c1ccc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000414951790 381643167 /nfs/dbraw/zinc/64/31/67/381643167.db2.gz QDLXUDWBWXOJCF-OCCSQVGLSA-N 2 1 291.395 2.948 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000420290282 382343279 /nfs/dbraw/zinc/34/32/79/382343279.db2.gz LTIODRIFJPECIV-HUBLWGQQSA-N 2 1 277.368 2.633 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000420290282 382343285 /nfs/dbraw/zinc/34/32/85/382343285.db2.gz LTIODRIFJPECIV-HUBLWGQQSA-N 2 1 277.368 2.633 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000420314340 382362245 /nfs/dbraw/zinc/36/22/45/382362245.db2.gz VOZSHEFNIRAPBG-RKLWJJNISA-N 2 1 289.379 2.633 20 5 CFBDMP O=[N+]([O-])c1ccc(C[N@@H+](CC[C@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000420358507 382381631 /nfs/dbraw/zinc/38/16/31/382381631.db2.gz JGTUUWWWOIUMFY-CYBMUJFWSA-N 2 1 289.379 2.559 20 5 CFBDMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000338011166 382901028 /nfs/dbraw/zinc/90/10/28/382901028.db2.gz HKGADBPNRNZNDB-LBPRGKRZSA-N 2 1 288.351 2.841 20 5 CFBDMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000247123343 383145486 /nfs/dbraw/zinc/14/54/86/383145486.db2.gz RFWFKGHLCYYWFV-ZIAGYGMSSA-N 2 1 291.395 2.896 20 5 CFBDMP Cc1c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000250882375 383382185 /nfs/dbraw/zinc/38/21/85/383382185.db2.gz CBWVAYOWGNJQNL-GJZGRUSLSA-N 2 1 289.379 2.620 20 5 CFBDMP Cc1c(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000250882375 383382189 /nfs/dbraw/zinc/38/21/89/383382189.db2.gz CBWVAYOWGNJQNL-GJZGRUSLSA-N 2 1 289.379 2.620 20 5 CFBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000251267903 383386970 /nfs/dbraw/zinc/38/69/70/383386970.db2.gz NGJYSKKUTIHDSJ-YNEHKIRRSA-N 2 1 277.368 2.715 20 5 CFBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000251267903 383386972 /nfs/dbraw/zinc/38/69/72/383386972.db2.gz NGJYSKKUTIHDSJ-YNEHKIRRSA-N 2 1 277.368 2.715 20 5 CFBDMP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000251312628 383387058 /nfs/dbraw/zinc/38/70/58/383387058.db2.gz KJTLKXGJKUQJKC-OCCSQVGLSA-N 2 1 279.384 2.961 20 5 CFBDMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000251312628 383387060 /nfs/dbraw/zinc/38/70/60/383387060.db2.gz KJTLKXGJKUQJKC-OCCSQVGLSA-N 2 1 279.384 2.961 20 5 CFBDMP CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@]1(C)CC[NH2+]C1 ZINC000261871933 383572563 /nfs/dbraw/zinc/57/25/63/383572563.db2.gz PACSQXDTQSFMCH-MRXNPFEDSA-N 2 1 291.395 2.805 20 5 CFBDMP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000572984321 383853360 /nfs/dbraw/zinc/85/33/60/383853360.db2.gz AACBSSRXJKMNJC-BXUZGUMPSA-N 2 1 277.368 2.512 20 5 CFBDMP C[N@@H+](CCCC[NH2+]Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC000453594968 383865061 /nfs/dbraw/zinc/86/50/61/383865061.db2.gz IYBIWPYYILSHSK-UHFFFAOYSA-N 2 1 283.397 2.620 20 5 CFBDMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000219149396 393760179 /nfs/dbraw/zinc/76/01/79/393760179.db2.gz DLWZIFRUMVIULS-ZDUSSCGKSA-N 2 1 279.384 2.976 20 5 CFBDMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000219149396 393760182 /nfs/dbraw/zinc/76/01/82/393760182.db2.gz DLWZIFRUMVIULS-ZDUSSCGKSA-N 2 1 279.384 2.976 20 5 CFBDMP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000424337866 393835006 /nfs/dbraw/zinc/83/50/06/393835006.db2.gz SLKWCAHVEXCSOE-LERXQTSPSA-N 2 1 263.341 2.515 20 5 CFBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229059026 393776880 /nfs/dbraw/zinc/77/68/80/393776880.db2.gz KCKPRPLUDBIBDB-BZPMIXESSA-N 2 1 277.368 2.573 20 5 CFBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229059026 393776883 /nfs/dbraw/zinc/77/68/83/393776883.db2.gz KCKPRPLUDBIBDB-BZPMIXESSA-N 2 1 277.368 2.573 20 5 CFBDMP CC1(C)C[C@@H]([NH2+]C[C@H]([NH3+])C2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000423339182 394278159 /nfs/dbraw/zinc/27/81/59/394278159.db2.gz ZHPXDAMBGVEGAF-LSDHHAIUSA-N 2 1 289.379 2.644 20 5 CFBDMP CCC[NH+]1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000020190040 171057124 /nfs/dbraw/zinc/05/71/24/171057124.db2.gz YFGCEQLOHODARI-UHFFFAOYSA-N 2 1 277.368 2.559 20 5 CFBDMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000044533987 175197769 /nfs/dbraw/zinc/19/77/69/175197769.db2.gz RDRTUFWWYROPOS-CHWSQXEVSA-N 2 1 277.368 2.587 20 5 CFBDMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000044533987 175197770 /nfs/dbraw/zinc/19/77/70/175197770.db2.gz RDRTUFWWYROPOS-CHWSQXEVSA-N 2 1 277.368 2.587 20 5 CFBDMP CC1(C)C[C@H]([NH2+]C[C@H]([NH3+])C2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000423339180 273589156 /nfs/dbraw/zinc/58/91/56/273589156.db2.gz ZHPXDAMBGVEGAF-GJZGRUSLSA-N 2 1 289.379 2.644 20 5 CFBDMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC[NH2+]1 ZINC000332309383 274393537 /nfs/dbraw/zinc/39/35/37/274393537.db2.gz OXBGGBMIIFJNCL-PVXIVEMSSA-N 2 1 289.379 2.702 20 5 CFBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358521089 278313103 /nfs/dbraw/zinc/31/31/03/278313103.db2.gz WWHDYXHSCDKBAD-CYBMUJFWSA-N 2 1 289.379 2.731 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000156176725 281022004 /nfs/dbraw/zinc/02/20/04/281022004.db2.gz UPSXPRWLXUHSQJ-UONOGXRCSA-N 2 1 291.395 2.848 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000156176725 281022005 /nfs/dbraw/zinc/02/20/05/281022005.db2.gz UPSXPRWLXUHSQJ-UONOGXRCSA-N 2 1 291.395 2.848 20 5 CFBDMP CC(C)[NH2+]CCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000566088289 290346499 /nfs/dbraw/zinc/34/64/99/290346499.db2.gz GXVBKLWAEVUPEP-INIZCTEOSA-N 2 1 291.395 2.950 20 5 CFBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000566242815 290361498 /nfs/dbraw/zinc/36/14/98/290361498.db2.gz KZOYDHSLVQJJRM-CZUORRHYSA-N 2 1 289.379 2.731 20 5 CFBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000566242815 290361501 /nfs/dbraw/zinc/36/15/01/290361501.db2.gz KZOYDHSLVQJJRM-CZUORRHYSA-N 2 1 289.379 2.731 20 5 CFBDMP Cc1ccc(C[NH2+]CC2([NH3+])CCCCC2)cc1[N+](=O)[O-] ZINC000414850759 534056357 /nfs/dbraw/zinc/05/63/57/534056357.db2.gz ZTFOCPTVBRPEAQ-UHFFFAOYSA-N 2 1 277.368 2.654 20 5 CFBDMP CC[C@@H]([NH2+][C@H](C)CC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000049553781 522932597 /nfs/dbraw/zinc/93/25/97/522932597.db2.gz SQGNKSXFXSSMNP-IUODEOHRSA-N 2 1 279.384 2.976 20 5 CFBDMP CCC[C@@H]([NH2+]C1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000423181802 529003768 /nfs/dbraw/zinc/00/37/68/529003768.db2.gz JNRHODGDYOSLCQ-OAHLLOKOSA-N 2 1 277.368 2.778 20 5 CFBDMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000897464887 620177181 /nfs/dbraw/zinc/17/71/81/620177181.db2.gz PXOKVIBPWQEIGA-RDBSUJKOSA-N 2 1 291.395 2.771 20 5 CFBDMP C[C@]1(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCC[NH2+]C1 ZINC000841058385 620423091 /nfs/dbraw/zinc/42/30/91/620423091.db2.gz WWEONBUWYZWBCB-AWEZNQCLSA-N 2 1 297.786 2.728 20 5 CFBDMP CCC[C@@H]([NH2+]CC1([NH3+])CC1)c1cccc([N+](=O)[O-])c1 ZINC000902414472 621084583 /nfs/dbraw/zinc/08/45/83/621084583.db2.gz BFTCSYSSBGDBPW-CYBMUJFWSA-N 2 1 263.341 2.517 20 5 CFBDMP C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903429292 621370999 /nfs/dbraw/zinc/37/09/99/621370999.db2.gz DIYCPTDDXHDCSJ-PWSUYJOCSA-N 2 1 297.786 2.807 20 5 CFBDMP C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[C@@H]1C[NH3+] ZINC000904411998 621593459 /nfs/dbraw/zinc/59/34/59/621593459.db2.gz YUXCITHDBUVPSA-ZYHUDNBSSA-N 2 1 297.786 2.665 20 5 CFBDMP Cc1c(C[NH2+]CCCC[N@H+](C)C2CC2)cccc1[N+](=O)[O-] ZINC000873131512 642022899 /nfs/dbraw/zinc/02/28/99/642022899.db2.gz UDHJWAHWKAQNPH-UHFFFAOYSA-N 2 1 291.395 2.867 20 5 CFBDMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000925571428 648222687 /nfs/dbraw/zinc/22/26/87/648222687.db2.gz HSZCDYXJKKCLLL-CZUORRHYSA-N 2 1 291.395 2.648 20 5 CFBDMP C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931432668 649425286 /nfs/dbraw/zinc/42/52/86/649425286.db2.gz ZBZJKXRYLCKDGG-AEGPPILISA-N 2 1 289.379 2.539 20 5 CFBDMP C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931432668 649425289 /nfs/dbraw/zinc/42/52/89/649425289.db2.gz ZBZJKXRYLCKDGG-AEGPPILISA-N 2 1 289.379 2.539 20 5 CFBDMP C[N+](C)(C)CCO[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC001224775947 778681438 /nfs/dbraw/zinc/68/14/38/778681438.db2.gz QDGQXKDCAXXCLQ-INIZCTEOSA-N 2 1 297.850 2.637 20 5 CFBDMP CC[C@H]([NH2+]C[C@H]([NH3+])C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000423275654 529618935 /nfs/dbraw/zinc/61/89/35/529618935.db2.gz NHMBMWHNAIDZMX-KBPBESRZSA-N 2 1 265.357 2.619 20 5 CFBDMP C[C@@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000404314094 348590322 /nfs/dbraw/zinc/59/03/22/348590322.db2.gz AFADDNVFJLPFQQ-OCCSQVGLSA-N 2 1 277.368 2.544 20 5 CFBDMP Cc1c(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cccc1[N+](=O)[O-] ZINC000404382709 348591396 /nfs/dbraw/zinc/59/13/96/348591396.db2.gz NCMZXYMDCYCQBX-SWLSCSKDSA-N 2 1 291.395 2.853 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(C)([NH3+])CC1 ZINC000592485036 349127523 /nfs/dbraw/zinc/12/75/23/349127523.db2.gz OPNNLGZXECJWTM-GFCCVEGCSA-N 2 1 277.368 2.777 20 5 CFBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000592489157 349127834 /nfs/dbraw/zinc/12/78/34/349127834.db2.gz ISFCZMXBOWDXFS-CJNGLKHVSA-N 2 1 289.379 2.731 20 5 CFBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000592489157 349127836 /nfs/dbraw/zinc/12/78/36/349127836.db2.gz ISFCZMXBOWDXFS-CJNGLKHVSA-N 2 1 289.379 2.731 20 5 CFBDMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1cccc([N+](=O)[O-])c1 ZINC000593972862 349342684 /nfs/dbraw/zinc/34/26/84/349342684.db2.gz RWFGXTDYQMDICT-GFCCVEGCSA-N 2 1 288.351 2.612 20 5 CFBDMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000414808290 233359498 /nfs/dbraw/zinc/35/94/98/233359498.db2.gz SCWWRMNZEBZEGX-IINYFYTJSA-N 2 1 297.786 2.855 20 5 CFBDMP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC000414808538 233360118 /nfs/dbraw/zinc/36/01/18/233360118.db2.gz KXJUFTLASXOIGN-JTQLQIEISA-N 2 1 291.376 2.966 20 5 CFBDMP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000414910454 233396361 /nfs/dbraw/zinc/39/63/61/233396361.db2.gz CWBCAQVWSZUWCQ-QWRGUYRKSA-N 2 1 283.759 2.608 20 5 CFBDMP Cc1ccc(CNC[C@@H]2CCCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000598994051 350356308 /nfs/dbraw/zinc/35/63/08/350356308.db2.gz GIAXBURSPCURFS-HNNXBMFYSA-N 2 1 291.395 2.725 20 5 CFBDMP Cc1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000598994051 350356312 /nfs/dbraw/zinc/35/63/12/350356312.db2.gz GIAXBURSPCURFS-HNNXBMFYSA-N 2 1 291.395 2.725 20 5 CFBDMP Cc1ccc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000598994051 350356317 /nfs/dbraw/zinc/35/63/17/350356317.db2.gz GIAXBURSPCURFS-HNNXBMFYSA-N 2 1 291.395 2.725 20 5 CFBDMP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000601970489 350821680 /nfs/dbraw/zinc/82/16/80/350821680.db2.gz KAEOTQLLBFXANW-LBPRGKRZSA-N 2 1 295.358 2.602 20 5 CFBDMP C[N@@H+](CCCC[NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000602687267 350979740 /nfs/dbraw/zinc/97/97/40/350979740.db2.gz JLHXDTORGUSVQE-UHFFFAOYSA-N 2 1 291.395 2.601 20 5 CFBDMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000158667212 188387973 /nfs/dbraw/zinc/38/79/73/188387973.db2.gz QIBUIMJEOOLHOI-HIFRSBDPSA-N 2 1 289.379 2.511 20 5 CFBDMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000158667212 188387975 /nfs/dbraw/zinc/38/79/75/188387975.db2.gz QIBUIMJEOOLHOI-HIFRSBDPSA-N 2 1 289.379 2.511 20 5 CFBDMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000158667212 188387978 /nfs/dbraw/zinc/38/79/78/188387978.db2.gz QIBUIMJEOOLHOI-HIFRSBDPSA-N 2 1 289.379 2.511 20 5 CFBDMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000158667212 188387979 /nfs/dbraw/zinc/38/79/79/188387979.db2.gz QIBUIMJEOOLHOI-HIFRSBDPSA-N 2 1 289.379 2.511 20 5 CFBDMP Cc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000422560808 237104638 /nfs/dbraw/zinc/10/46/38/237104638.db2.gz HQOKBVRUZXQMIH-NFAWXSAZSA-N 2 1 291.395 2.708 20 5 CFBDMP Cc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000422560808 237104644 /nfs/dbraw/zinc/10/46/44/237104644.db2.gz HQOKBVRUZXQMIH-NFAWXSAZSA-N 2 1 291.395 2.708 20 5 CFBDMP CCC[C@@H]([NH2+]CCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000020091901 372229189 /nfs/dbraw/zinc/22/91/89/372229189.db2.gz BXJRGYVUFJRAEI-OAHLLOKOSA-N 2 1 279.384 2.977 20 5 CFBDMP Cc1ccc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000057994321 373620520 /nfs/dbraw/zinc/62/05/20/373620520.db2.gz IUXFBIFTQUVVJH-CYBMUJFWSA-N 2 1 291.395 2.725 20 5 CFBDMP C[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000062078322 373746802 /nfs/dbraw/zinc/74/68/02/373746802.db2.gz BTHIUCSEWZAAHQ-KGLIPLIRSA-N 2 1 291.395 2.977 20 5 CFBDMP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000062077288 373746992 /nfs/dbraw/zinc/74/69/92/373746992.db2.gz SILGBBYGQDTWIF-UONOGXRCSA-N 2 1 291.395 2.977 20 5 CFBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358507697 380893812 /nfs/dbraw/zinc/89/38/12/380893812.db2.gz LCPOOKURUNEXPW-CYBMUJFWSA-N 2 1 289.379 2.731 20 5 CFBDMP Cc1ccc(C[N@H+](C)[C@@H]2CCN(C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000290521898 381464495 /nfs/dbraw/zinc/46/44/95/381464495.db2.gz QBOLFXUIYXMWMG-UKRRQHHQSA-N 2 1 291.395 2.675 20 5 CFBDMP Cc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000290521898 381464497 /nfs/dbraw/zinc/46/44/97/381464497.db2.gz QBOLFXUIYXMWMG-UKRRQHHQSA-N 2 1 291.395 2.675 20 5 CFBDMP Cc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000290521898 381464501 /nfs/dbraw/zinc/46/45/01/381464501.db2.gz QBOLFXUIYXMWMG-UKRRQHHQSA-N 2 1 291.395 2.675 20 5 CFBDMP Cc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000290521898 381464508 /nfs/dbraw/zinc/46/45/08/381464508.db2.gz QBOLFXUIYXMWMG-UKRRQHHQSA-N 2 1 291.395 2.675 20 5 CFBDMP Cc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000290521898 381464512 /nfs/dbraw/zinc/46/45/12/381464512.db2.gz QBOLFXUIYXMWMG-UKRRQHHQSA-N 2 1 291.395 2.675 20 5 CFBDMP CC(C)c1ccc(C[NH2+]CCC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000415071381 381755672 /nfs/dbraw/zinc/75/56/72/381755672.db2.gz SWFPFPJWABMPFQ-UHFFFAOYSA-N 2 1 291.395 2.950 20 5 CFBDMP CC[C@H]([NH2+]C[C@H](C)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000293361106 382093501 /nfs/dbraw/zinc/09/35/01/382093501.db2.gz HKECBIQTIXBIFR-WFASDCNBSA-N 2 1 279.384 2.833 20 5 CFBDMP [NH3+]C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000420357950 382382115 /nfs/dbraw/zinc/38/21/15/382382115.db2.gz DYRSTAIBCKAXPE-INIZCTEOSA-N 2 1 291.395 2.635 20 5 CFBDMP C[NH+]1CCC([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000192617658 382710634 /nfs/dbraw/zinc/71/06/34/382710634.db2.gz STUCUZNYXDQGHR-MRXNPFEDSA-N 2 1 289.379 2.656 20 5 CFBDMP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000245931826 383049902 /nfs/dbraw/zinc/04/99/02/383049902.db2.gz ZMCVCYUBEFTMMX-KBPBESRZSA-N 2 1 291.395 2.929 20 5 CFBDMP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000245931826 383049905 /nfs/dbraw/zinc/04/99/05/383049905.db2.gz ZMCVCYUBEFTMMX-KBPBESRZSA-N 2 1 291.395 2.929 20 5 CFBDMP C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000245931826 383049907 /nfs/dbraw/zinc/04/99/07/383049907.db2.gz ZMCVCYUBEFTMMX-KBPBESRZSA-N 2 1 291.395 2.929 20 5 CFBDMP C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000245931826 383049908 /nfs/dbraw/zinc/04/99/08/383049908.db2.gz ZMCVCYUBEFTMMX-KBPBESRZSA-N 2 1 291.395 2.929 20 5 CFBDMP Cc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000423364660 383065214 /nfs/dbraw/zinc/06/52/14/383065214.db2.gz CQXLRUSHOQFNNP-DYEKYZERSA-N 2 1 277.368 2.552 20 5 CFBDMP C[N@@H+](CCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000453600171 383869510 /nfs/dbraw/zinc/86/95/10/383869510.db2.gz RQMUMMWOFASHNR-UHFFFAOYSA-N 2 1 295.358 2.698 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)CC[NH+](C)C ZINC000531962931 383948270 /nfs/dbraw/zinc/94/82/70/383948270.db2.gz JJFFEGVGUAQAIC-STQMWFEESA-N 2 1 279.384 2.894 20 5 CFBDMP CC[C@@H]([NH2+]CCc1c[nH+]cn1C)c1cccc([N+](=O)[O-])c1 ZINC000276613441 385992304 /nfs/dbraw/zinc/99/23/04/385992304.db2.gz GYGCSLLBFKSQCS-OAHLLOKOSA-N 2 1 288.351 2.612 20 5 CFBDMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000268844288 132075954 /nfs/dbraw/zinc/07/59/54/132075954.db2.gz WPWYCMJXEQHPPU-GFCCVEGCSA-N 2 1 288.351 2.759 20 5 CFBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000423515945 394287942 /nfs/dbraw/zinc/28/79/42/394287942.db2.gz XRDGWIFGGYHBPJ-DOMZBBRYSA-N 2 1 291.395 2.633 20 5 CFBDMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc([N+](=O)[O-])cc1 ZINC000296018272 394305409 /nfs/dbraw/zinc/30/54/09/394305409.db2.gz RQXAZTQGMADGAC-DITUJHHDSA-N 2 1 289.379 2.871 20 5 CFBDMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc([N+](=O)[O-])cc1 ZINC000296018272 394305411 /nfs/dbraw/zinc/30/54/11/394305411.db2.gz RQXAZTQGMADGAC-DITUJHHDSA-N 2 1 289.379 2.871 20 5 CFBDMP Cc1c([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000158176024 394355133 /nfs/dbraw/zinc/35/51/33/394355133.db2.gz GCAJITAUAGNHOW-ZIAGYGMSSA-N 2 1 291.395 2.896 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000420305403 292295398 /nfs/dbraw/zinc/29/53/98/292295398.db2.gz KCXVMQHERFWTTG-CZUORRHYSA-N 2 1 289.379 2.650 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000420305403 292295399 /nfs/dbraw/zinc/29/53/99/292295399.db2.gz KCXVMQHERFWTTG-CZUORRHYSA-N 2 1 289.379 2.650 20 5 CFBDMP C[NH+]1CCC2(CCC[N@H+]2Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000374326495 157100217 /nfs/dbraw/zinc/10/02/17/157100217.db2.gz SOGPIGCUJDJACR-UHFFFAOYSA-N 2 1 289.379 2.655 20 5 CFBDMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000044534127 175196835 /nfs/dbraw/zinc/19/68/35/175196835.db2.gz YQKQOUWAJLXWJN-XJKSGUPXSA-N 2 1 291.395 2.977 20 5 CFBDMP [NH3+]CC[C@@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000442920097 227211593 /nfs/dbraw/zinc/21/15/93/227211593.db2.gz GJPDKECVIVANKO-ZBKLQPJUSA-N 2 1 289.379 2.669 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000420319809 281022827 /nfs/dbraw/zinc/02/28/27/281022827.db2.gz POASBYLIXRTGCZ-RWMBFGLXSA-N 2 1 277.368 2.633 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000161472547 322351976 /nfs/dbraw/zinc/35/19/76/322351976.db2.gz IVEGSXUWAMVYSR-GFCCVEGCSA-N 2 1 277.368 2.648 20 5 CFBDMP CCC[C@H]([NH2+]C1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000423181801 528214765 /nfs/dbraw/zinc/21/47/65/528214765.db2.gz JNRHODGDYOSLCQ-HNNXBMFYSA-N 2 1 277.368 2.778 20 5 CFBDMP [NH3+]CCC1CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000093633689 618209256 /nfs/dbraw/zinc/20/92/56/618209256.db2.gz WKJIQHHFIIPWCA-UHFFFAOYSA-N 2 1 297.786 2.809 20 5 CFBDMP O=[N+]([O-])c1cc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cs1 ZINC000063197514 623332857 /nfs/dbraw/zinc/33/28/57/623332857.db2.gz NGLYCFYUARKIQX-CYBMUJFWSA-N 2 1 295.408 2.620 20 5 CFBDMP C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC[C@@H]1C[NH3+] ZINC000923499739 626477491 /nfs/dbraw/zinc/47/74/91/626477491.db2.gz SXNIDBYBPLCHAZ-GHMZBOCLSA-N 2 1 297.786 2.665 20 5 CFBDMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000817906724 632727952 /nfs/dbraw/zinc/72/79/52/632727952.db2.gz DFXFJYGZDKXFRD-HZMBPMFUSA-N 2 1 297.786 2.726 20 5 CFBDMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000866704271 638868386 /nfs/dbraw/zinc/86/83/86/638868386.db2.gz SGXODXDUYJFRFU-MRXNPFEDSA-N 2 1 291.395 2.792 20 5 CFBDMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000866705175 638868406 /nfs/dbraw/zinc/86/84/06/638868406.db2.gz VCMJSQOOQCKAEC-MRXNPFEDSA-N 2 1 291.395 2.792 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872153449 641674660 /nfs/dbraw/zinc/67/46/60/641674660.db2.gz AMOUZIPBGARGHJ-DVOMOZLQSA-N 2 1 289.379 2.506 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872153449 641674662 /nfs/dbraw/zinc/67/46/62/641674662.db2.gz AMOUZIPBGARGHJ-DVOMOZLQSA-N 2 1 289.379 2.506 20 5 CFBDMP C[C@@H](c1ccccc1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933739963 649718754 /nfs/dbraw/zinc/71/87/54/649718754.db2.gz DUQGEDPZHDRBTQ-HEHGZKQESA-N 2 1 289.379 2.539 20 5 CFBDMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1OCCC[N+](C)(C)C ZINC001224621517 775229887 /nfs/dbraw/zinc/22/98/87/775229887.db2.gz WQISYTLJQXAMJQ-WMZOPIPTSA-N 2 1 291.459 2.620 20 5 CFBDMP CC[C@@H]1C[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000122322312 347815660 /nfs/dbraw/zinc/81/56/60/347815660.db2.gz MGFFCLKHGFGCJD-SCRDCRAPSA-N 2 1 277.368 2.715 20 5 CFBDMP CC[C@@H]1C[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000122322312 347815662 /nfs/dbraw/zinc/81/56/62/347815662.db2.gz MGFFCLKHGFGCJD-SCRDCRAPSA-N 2 1 277.368 2.715 20 5 CFBDMP O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000252412620 348295336 /nfs/dbraw/zinc/29/53/36/348295336.db2.gz ADEDHLPMQMLCFK-GOEBONIOSA-N 2 1 289.379 2.559 20 5 CFBDMP O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000252412620 348295338 /nfs/dbraw/zinc/29/53/38/348295338.db2.gz ADEDHLPMQMLCFK-GOEBONIOSA-N 2 1 289.379 2.559 20 5 CFBDMP C[C@H]1C[C@@H]([NH+](C)CCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000123737531 187106995 /nfs/dbraw/zinc/10/69/95/187106995.db2.gz DRXJWZCTNPVZAK-BBRMVZONSA-N 2 1 291.395 2.552 20 5 CFBDMP C[C@H]1C[C@@H]([NH+](C)CCc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000123737531 187106996 /nfs/dbraw/zinc/10/69/96/187106996.db2.gz DRXJWZCTNPVZAK-BBRMVZONSA-N 2 1 291.395 2.552 20 5 CFBDMP C[C@H]1C[C@@H]([N@H+](C)CCc2ccc([N+](=O)[O-])cc2)CC[NH+]1C ZINC000123737531 187106997 /nfs/dbraw/zinc/10/69/97/187106997.db2.gz DRXJWZCTNPVZAK-BBRMVZONSA-N 2 1 291.395 2.552 20 5 CFBDMP C[C@H]1C[C@@H]([N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)CC[NH+]1C ZINC000123737531 187106998 /nfs/dbraw/zinc/10/69/98/187106998.db2.gz DRXJWZCTNPVZAK-BBRMVZONSA-N 2 1 291.395 2.552 20 5 CFBDMP Cc1c([C@H](C)[NH2+]C[C@H]([NH3+])C(C)C)cccc1[N+](=O)[O-] ZINC000423272258 238331554 /nfs/dbraw/zinc/33/15/54/238331554.db2.gz JTOMMWNOKNCPJU-AAEUAGOBSA-N 2 1 265.357 2.537 20 5 CFBDMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000180459588 189256595 /nfs/dbraw/zinc/25/65/95/189256595.db2.gz VAPZNHIMJWXMGR-JSGCOSHPSA-N 2 1 277.368 2.730 20 5 CFBDMP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000180459588 189256596 /nfs/dbraw/zinc/25/65/96/189256596.db2.gz VAPZNHIMJWXMGR-JSGCOSHPSA-N 2 1 277.368 2.730 20 5 CFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000183279575 189353119 /nfs/dbraw/zinc/35/31/19/189353119.db2.gz VQKWUSYZDPAGPL-AWEZNQCLSA-N 2 1 291.395 2.677 20 5 CFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000183279575 189353120 /nfs/dbraw/zinc/35/31/20/189353120.db2.gz VQKWUSYZDPAGPL-AWEZNQCLSA-N 2 1 291.395 2.677 20 5 CFBDMP Cc1cc([N+](=O)[O-])ccc1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000183279575 189353121 /nfs/dbraw/zinc/35/31/21/189353121.db2.gz VQKWUSYZDPAGPL-AWEZNQCLSA-N 2 1 291.395 2.677 20 5 CFBDMP Cc1cc([N+](=O)[O-])ccc1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000183279575 189353122 /nfs/dbraw/zinc/35/31/22/189353122.db2.gz VQKWUSYZDPAGPL-AWEZNQCLSA-N 2 1 291.395 2.677 20 5 CFBDMP Cc1ccc(C[NH2+]CC(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000034995579 372527537 /nfs/dbraw/zinc/52/75/37/372527537.db2.gz WLVXYFWEXGMFAQ-UHFFFAOYSA-N 2 1 279.384 2.581 20 5 CFBDMP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000037644168 372680601 /nfs/dbraw/zinc/68/06/01/372680601.db2.gz BXRCZWCDZJGMDY-CZUORRHYSA-N 2 1 291.395 2.977 20 5 CFBDMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000037649075 372685384 /nfs/dbraw/zinc/68/53/84/372685384.db2.gz RLMAZQJYXUPRKH-QWHCGFSZSA-N 2 1 289.379 2.730 20 5 CFBDMP C[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000062077286 373746578 /nfs/dbraw/zinc/74/65/78/373746578.db2.gz SILGBBYGQDTWIF-KGLIPLIRSA-N 2 1 291.395 2.977 20 5 CFBDMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000081095880 374685495 /nfs/dbraw/zinc/68/54/95/374685495.db2.gz IPZLCZLGWKYUQO-CJNGLKHVSA-N 2 1 291.395 2.757 20 5 CFBDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000081095880 374685507 /nfs/dbraw/zinc/68/55/07/374685507.db2.gz IPZLCZLGWKYUQO-CJNGLKHVSA-N 2 1 291.395 2.757 20 5 CFBDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000081095880 374685513 /nfs/dbraw/zinc/68/55/13/374685513.db2.gz IPZLCZLGWKYUQO-CJNGLKHVSA-N 2 1 291.395 2.757 20 5 CFBDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000081095880 374685520 /nfs/dbraw/zinc/68/55/20/374685520.db2.gz IPZLCZLGWKYUQO-CJNGLKHVSA-N 2 1 291.395 2.757 20 5 CFBDMP O=[N+]([O-])c1ccc(C[N@@H+](CC2CC[NH2+]CC2)C2CC2)cc1 ZINC000094021512 375335518 /nfs/dbraw/zinc/33/55/18/375335518.db2.gz JQPZCVGTQTZCBK-UHFFFAOYSA-N 2 1 289.379 2.559 20 5 CFBDMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000151131769 378299355 /nfs/dbraw/zinc/29/93/55/378299355.db2.gz UAJUJUSFPDRRTM-KBPBESRZSA-N 2 1 291.395 2.977 20 5 CFBDMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000151131769 378299358 /nfs/dbraw/zinc/29/93/58/378299358.db2.gz UAJUJUSFPDRRTM-KBPBESRZSA-N 2 1 291.395 2.977 20 5 CFBDMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000331089226 378630870 /nfs/dbraw/zinc/63/08/70/378630870.db2.gz UNRTZRYDVKGHOW-IUODEOHRSA-N 2 1 291.395 2.723 20 5 CFBDMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000331089226 378630873 /nfs/dbraw/zinc/63/08/73/378630873.db2.gz UNRTZRYDVKGHOW-IUODEOHRSA-N 2 1 291.395 2.723 20 5 CFBDMP CC[N@H+]1CC[C@H](N(C)Cc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000174776301 379937502 /nfs/dbraw/zinc/93/75/02/379937502.db2.gz LAGADGYPMJXLDN-CJNGLKHVSA-N 2 1 291.395 2.757 20 5 CFBDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000174776301 379937518 /nfs/dbraw/zinc/93/75/18/379937518.db2.gz LAGADGYPMJXLDN-CJNGLKHVSA-N 2 1 291.395 2.757 20 5 CFBDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000174776301 379937523 /nfs/dbraw/zinc/93/75/23/379937523.db2.gz LAGADGYPMJXLDN-CJNGLKHVSA-N 2 1 291.395 2.757 20 5 CFBDMP CC(C)c1ccc(C[N@H+](C)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000347055875 380911657 /nfs/dbraw/zinc/91/16/57/380911657.db2.gz UQEHEUMEVSBBFQ-UHFFFAOYSA-N 2 1 291.395 2.902 20 5 CFBDMP CC(C)c1ccc(C[N@@H+](C)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000347055875 380911663 /nfs/dbraw/zinc/91/16/63/380911663.db2.gz UQEHEUMEVSBBFQ-UHFFFAOYSA-N 2 1 291.395 2.902 20 5 CFBDMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000414181079 381568508 /nfs/dbraw/zinc/56/85/08/381568508.db2.gz MMLJJJYWOUBHIY-KBPBESRZSA-N 2 1 291.395 2.977 20 5 CFBDMP CC[NH2+][C@H](C)C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000414957805 381652004 /nfs/dbraw/zinc/65/20/04/381652004.db2.gz OTAGXKGMMHWTHJ-CHWSQXEVSA-N 2 1 279.384 2.504 20 5 CFBDMP Cc1c([C@H](C)[NH2+]C[C@H](C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000293282467 382062999 /nfs/dbraw/zinc/06/29/99/382062999.db2.gz CWDCFQCRMYEDRN-AAEUAGOBSA-N 2 1 279.384 2.752 20 5 CFBDMP O=[N+]([O-])c1ccccc1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420413381 382403366 /nfs/dbraw/zinc/40/33/66/382403366.db2.gz ZXIIDDWCNYCWPT-HIFRSBDPSA-N 2 1 289.379 2.559 20 5 CFBDMP O=[N+]([O-])c1ccccc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420413381 382403367 /nfs/dbraw/zinc/40/33/67/382403367.db2.gz ZXIIDDWCNYCWPT-HIFRSBDPSA-N 2 1 289.379 2.559 20 5 CFBDMP C[N@H+](CCC[NH3+])Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000579238499 382996266 /nfs/dbraw/zinc/99/62/66/382996266.db2.gz IGOKIJXVRJPOLO-UHFFFAOYSA-N 2 1 289.335 2.635 20 5 CFBDMP C[N@@H+](CCC[NH3+])Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000579238499 382996272 /nfs/dbraw/zinc/99/62/72/382996272.db2.gz IGOKIJXVRJPOLO-UHFFFAOYSA-N 2 1 289.335 2.635 20 5 CFBDMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000423375531 383070976 /nfs/dbraw/zinc/07/09/76/383070976.db2.gz KRMZJZWKCGFKOB-SGMGOOAPSA-N 2 1 277.368 2.694 20 5 CFBDMP CC[NH2+][C@H](C)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423375295 383071142 /nfs/dbraw/zinc/07/11/42/383071142.db2.gz IMTOGCFUWLJGQB-IUODEOHRSA-N 2 1 291.395 2.504 20 5 CFBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C1CC([NH+](C)C)C1 ZINC000520428331 383256869 /nfs/dbraw/zinc/25/68/69/383256869.db2.gz QYVJFNQCPPXVPA-GHXNOFRVSA-N 2 1 289.379 2.680 20 5 CFBDMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449334379 383223428 /nfs/dbraw/zinc/22/34/28/383223428.db2.gz JFFVXHPHEUMCGR-KBPBESRZSA-N 2 1 293.411 2.844 20 5 CFBDMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449334379 383223433 /nfs/dbraw/zinc/22/34/33/383223433.db2.gz JFFVXHPHEUMCGR-KBPBESRZSA-N 2 1 293.411 2.844 20 5 CFBDMP CC[NH2+]CCC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000568074796 383354815 /nfs/dbraw/zinc/35/48/15/383354815.db2.gz UHQGPKCBZJLUDZ-HNNXBMFYSA-N 2 1 291.395 2.906 20 5 CFBDMP C[N@@H+](CCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000453596406 383865780 /nfs/dbraw/zinc/86/57/80/383865780.db2.gz LBRBUNSIOJUXSB-UHFFFAOYSA-N 2 1 277.368 2.559 20 5 CFBDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000105443336 393863915 /nfs/dbraw/zinc/86/39/15/393863915.db2.gz QSFWELGILVFGAZ-GFCCVEGCSA-N 2 1 288.351 2.526 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000158174785 394355105 /nfs/dbraw/zinc/35/51/05/394355105.db2.gz DKERQGRKQQGHCD-KBPBESRZSA-N 2 1 291.395 2.896 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000158174785 394355107 /nfs/dbraw/zinc/35/51/07/394355107.db2.gz DKERQGRKQQGHCD-KBPBESRZSA-N 2 1 291.395 2.896 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000420306697 292296318 /nfs/dbraw/zinc/29/63/18/292296318.db2.gz AUEBHYAGZOJQOJ-MELADBBJSA-N 2 1 289.379 2.506 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000420306697 292296320 /nfs/dbraw/zinc/29/63/20/292296320.db2.gz AUEBHYAGZOJQOJ-MELADBBJSA-N 2 1 289.379 2.506 20 5 CFBDMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037176949 276097510 /nfs/dbraw/zinc/09/75/10/276097510.db2.gz ILZWUDOPCOXUFT-ZDUSSCGKSA-N 2 1 279.384 2.977 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C ZINC000582115268 325176898 /nfs/dbraw/zinc/17/68/98/325176898.db2.gz GUCKYNGRUCYFPA-DGCLKSJQSA-N 2 1 279.384 2.752 20 5 CFBDMP CC[NH2+]CCC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000584285659 325343581 /nfs/dbraw/zinc/34/35/81/325343581.db2.gz ZKOPWFYEXNDFOD-GFCCVEGCSA-N 2 1 265.357 2.553 20 5 CFBDMP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000841031791 620258864 /nfs/dbraw/zinc/25/88/64/620258864.db2.gz XXVWZZVTOVPCNU-QMTHXVAHSA-N 2 1 297.786 2.855 20 5 CFBDMP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC000902450492 621091613 /nfs/dbraw/zinc/09/16/13/621091613.db2.gz SPCASIOEQQOZPA-SWLSCSKDSA-N 2 1 291.395 2.504 20 5 CFBDMP O=[N+]([O-])c1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cs1 ZINC000063197513 623332826 /nfs/dbraw/zinc/33/28/26/623332826.db2.gz NGLYCFYUARKIQX-ZDUSSCGKSA-N 2 1 295.408 2.620 20 5 CFBDMP C[N@@H+](CCCCCCC[NH3+])Cc1ccccc1[N+](=O)[O-] ZINC000842471680 631639150 /nfs/dbraw/zinc/63/91/50/631639150.db2.gz RQIYEJPILCISJH-UHFFFAOYSA-N 2 1 279.384 2.936 20 5 CFBDMP COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCCCCC[NH3+] ZINC000872154915 641676059 /nfs/dbraw/zinc/67/60/59/641676059.db2.gz FEPKFQPUFYTABH-UHFFFAOYSA-N 2 1 295.383 2.554 20 5 CFBDMP Cc1ccc([N+](=O)[O-])c(C)c1CN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000873060295 641998906 /nfs/dbraw/zinc/99/89/06/641998906.db2.gz HOXQDKBHVXQYRA-JSGCOSHPSA-N 2 1 291.395 2.784 20 5 CFBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000873060295 641998915 /nfs/dbraw/zinc/99/89/15/641998915.db2.gz HOXQDKBHVXQYRA-JSGCOSHPSA-N 2 1 291.395 2.784 20 5 CFBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000873060295 641998920 /nfs/dbraw/zinc/99/89/20/641998920.db2.gz HOXQDKBHVXQYRA-JSGCOSHPSA-N 2 1 291.395 2.784 20 5 CFBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000873101499 642013581 /nfs/dbraw/zinc/01/35/81/642013581.db2.gz WKYRJRVXHZTZPG-UHFFFAOYSA-N 2 1 289.379 2.563 20 5 CFBDMP O=[N+]([O-])c1cccc(C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000886865999 647164360 /nfs/dbraw/zinc/16/43/60/647164360.db2.gz ZYVFPPFGMPPABM-MRXNPFEDSA-N 2 1 289.379 2.560 20 5 CFBDMP O=[N+]([O-])c1cccc(C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000886865999 647164363 /nfs/dbraw/zinc/16/43/63/647164363.db2.gz ZYVFPPFGMPPABM-MRXNPFEDSA-N 2 1 289.379 2.560 20 5 CFBDMP C[N@@H+](CCCCCC[NH3+])CCc1ccccc1[N+](=O)[O-] ZINC000710840689 781341539 /nfs/dbraw/zinc/34/15/39/781341539.db2.gz AGQVPEYDTRTIDV-UHFFFAOYSA-N 2 1 279.384 2.588 20 5 CFBDMP C[N@@H+](CCCCCC[NH3+])CCc1ccc([N+](=O)[O-])cc1 ZINC000710840693 781341546 /nfs/dbraw/zinc/34/15/46/781341546.db2.gz ALUYWNIWWVRUHP-UHFFFAOYSA-N 2 1 279.384 2.588 20 5 CFBDMP C[C@@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@@H]1CCC[NH3+] ZINC000595904792 349765373 /nfs/dbraw/zinc/76/53/73/349765373.db2.gz LBYBKVFEPICXEO-UKRRQHHQSA-N 2 1 291.395 2.934 20 5 CFBDMP C[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)[C@H]1CC[NH3+] ZINC000404414435 348591652 /nfs/dbraw/zinc/59/16/52/348591652.db2.gz FIDVPGMXFVWUHJ-DOMZBBRYSA-N 2 1 277.368 2.544 20 5 CFBDMP C[N@H+](CCC[NH3+])Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000592427711 349118930 /nfs/dbraw/zinc/11/89/30/349118930.db2.gz STMJEHQPDNQZBO-UHFFFAOYSA-N 2 1 289.335 2.635 20 5 CFBDMP C[N@@H+](CCC[NH3+])Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000592427711 349118932 /nfs/dbraw/zinc/11/89/32/349118932.db2.gz STMJEHQPDNQZBO-UHFFFAOYSA-N 2 1 289.335 2.635 20 5 CFBDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000105443330 186056568 /nfs/dbraw/zinc/05/65/68/186056568.db2.gz KQNQQLAEJIUXJW-GFCCVEGCSA-N 2 1 288.351 2.526 20 5 CFBDMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000600678445 350596503 /nfs/dbraw/zinc/59/65/03/350596503.db2.gz PWJILAFESWVCQM-AEGPPILISA-N 2 1 291.395 2.646 20 5 CFBDMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000271813948 191342054 /nfs/dbraw/zinc/34/20/54/191342054.db2.gz BESRREJSRJJEAY-LBPRGKRZSA-N 2 1 275.352 2.507 20 5 CFBDMP CC[NH2+]CCC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000568074801 290522006 /nfs/dbraw/zinc/52/20/06/290522006.db2.gz UHQGPKCBZJLUDZ-OAHLLOKOSA-N 2 1 291.395 2.906 20 5 CFBDMP C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1 ZINC000435433405 240315188 /nfs/dbraw/zinc/31/51/88/240315188.db2.gz NKNYRDBJOKGDFJ-ZKKXHLJNSA-N 2 1 289.379 2.682 20 5 CFBDMP Cc1ccc([C@H](C)[NH2+]CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000020091859 372227988 /nfs/dbraw/zinc/22/79/88/372227988.db2.gz FPXCRIGWCSHYHE-LBPRGKRZSA-N 2 1 265.357 2.506 20 5 CFBDMP C[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000037997553 372755467 /nfs/dbraw/zinc/75/54/67/372755467.db2.gz HIYZZTMGAQHKLI-AWEZNQCLSA-N 2 1 291.395 2.806 20 5 CFBDMP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070169610 374134969 /nfs/dbraw/zinc/13/49/69/374134969.db2.gz OJFWLZPPMOBLJS-QWHCGFSZSA-N 2 1 277.368 2.717 20 5 CFBDMP C[N@H+]1CCCC12CCN(Cc1cccc([N+](=O)[O-])c1)CC2 ZINC000370653276 381484856 /nfs/dbraw/zinc/48/48/56/381484856.db2.gz YAXCASTVGJCKEC-UHFFFAOYSA-N 2 1 289.379 2.655 20 5 CFBDMP C[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000420297213 382348243 /nfs/dbraw/zinc/34/82/43/382348243.db2.gz RDMLFOPZUNHURX-QWHCGFSZSA-N 2 1 277.368 2.506 20 5 CFBDMP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000420297213 382348246 /nfs/dbraw/zinc/34/82/46/382348246.db2.gz RDMLFOPZUNHURX-QWHCGFSZSA-N 2 1 277.368 2.506 20 5 CFBDMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000423364663 383065028 /nfs/dbraw/zinc/06/50/28/383065028.db2.gz CQXLRUSHOQFNNP-SGMGOOAPSA-N 2 1 277.368 2.552 20 5 CFBDMP CCC[C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000423448140 383099552 /nfs/dbraw/zinc/09/95/52/383099552.db2.gz PTTTVXYKVGLYCM-MJVIPROJSA-N 2 1 265.357 2.761 20 5 CFBDMP CCC[C@H]([NH2+]C[C@@H]([NH3+])CC)c1cccc([N+](=O)[O-])c1 ZINC000423469305 383107670 /nfs/dbraw/zinc/10/76/70/383107670.db2.gz OTWMWXDZKMWDBI-JSGCOSHPSA-N 2 1 265.357 2.763 20 5 CFBDMP C[N@H+]1CCC[C@@H]2CN(Cc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000248005402 383206136 /nfs/dbraw/zinc/20/61/36/383206136.db2.gz KUEKHMYWLVJCRK-GDBMZVCRSA-N 2 1 289.379 2.511 20 5 CFBDMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000248005402 383206140 /nfs/dbraw/zinc/20/61/40/383206140.db2.gz KUEKHMYWLVJCRK-GDBMZVCRSA-N 2 1 289.379 2.511 20 5 CFBDMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000248005402 383206144 /nfs/dbraw/zinc/20/61/44/383206144.db2.gz KUEKHMYWLVJCRK-GDBMZVCRSA-N 2 1 289.379 2.511 20 5 CFBDMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000248005402 383206147 /nfs/dbraw/zinc/20/61/47/383206147.db2.gz KUEKHMYWLVJCRK-GDBMZVCRSA-N 2 1 289.379 2.511 20 5 CFBDMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000248005402 383206150 /nfs/dbraw/zinc/20/61/50/383206150.db2.gz KUEKHMYWLVJCRK-GDBMZVCRSA-N 2 1 289.379 2.511 20 5 CFBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000251568159 383390774 /nfs/dbraw/zinc/39/07/74/383390774.db2.gz UEVKWQHKJPEGLY-OUCADQQQSA-N 2 1 277.368 2.715 20 5 CFBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000251568159 383390778 /nfs/dbraw/zinc/39/07/78/383390778.db2.gz UEVKWQHKJPEGLY-OUCADQQQSA-N 2 1 277.368 2.715 20 5 CFBDMP CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@]1(C)CC[NH2+]C1 ZINC000261871930 383572616 /nfs/dbraw/zinc/57/26/16/383572616.db2.gz PACSQXDTQSFMCH-INIZCTEOSA-N 2 1 291.395 2.805 20 5 CFBDMP C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC[C@@H]1CCC[NH+]1C ZINC000282372992 385295436 /nfs/dbraw/zinc/29/54/36/385295436.db2.gz FJMBWEPMZNTOLJ-HNNXBMFYSA-N 2 1 291.395 2.553 20 5 CFBDMP C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC[C@@H]1CCC[NH+]1C ZINC000282372992 385295439 /nfs/dbraw/zinc/29/54/39/385295439.db2.gz FJMBWEPMZNTOLJ-HNNXBMFYSA-N 2 1 291.395 2.553 20 5 CFBDMP C[NH+](CCc1cccc([N+](=O)[O-])c1)CC[C@@H]1CCC[N@@H+]1C ZINC000282372992 385295441 /nfs/dbraw/zinc/29/54/41/385295441.db2.gz FJMBWEPMZNTOLJ-HNNXBMFYSA-N 2 1 291.395 2.553 20 5 CFBDMP C[NH+](CCc1cccc([N+](=O)[O-])c1)CC[C@@H]1CCC[N@H+]1C ZINC000282372992 385295443 /nfs/dbraw/zinc/29/54/43/385295443.db2.gz FJMBWEPMZNTOLJ-HNNXBMFYSA-N 2 1 291.395 2.553 20 5 CFBDMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000093515634 184686774 /nfs/dbraw/zinc/68/67/74/184686774.db2.gz GEINKOBAVNYTNW-UKRRQHHQSA-N 2 1 291.395 2.995 20 5 CFBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253188749 393939927 /nfs/dbraw/zinc/93/99/27/393939927.db2.gz KCKPRPLUDBIBDB-YRGRVCCFSA-N 2 1 277.368 2.573 20 5 CFBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253188749 393939932 /nfs/dbraw/zinc/93/99/32/393939932.db2.gz KCKPRPLUDBIBDB-YRGRVCCFSA-N 2 1 277.368 2.573 20 5 CFBDMP C[NH2+]CCC[N@H+](C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000420385322 394119230 /nfs/dbraw/zinc/11/92/30/394119230.db2.gz HKBFFOBZVYVVDL-LBPRGKRZSA-N 2 1 265.357 2.506 20 5 CFBDMP C[NH2+]CCC[N@@H+](C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000420385322 394119234 /nfs/dbraw/zinc/11/92/34/394119234.db2.gz HKBFFOBZVYVVDL-LBPRGKRZSA-N 2 1 265.357 2.506 20 5 CFBDMP Cc1c(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])cccc1[N+](=O)[O-] ZINC000423077710 394265635 /nfs/dbraw/zinc/26/56/35/394265635.db2.gz MWCUAMSLRLVXBD-UONOGXRCSA-N 2 1 277.368 2.653 20 5 CFBDMP CC[C@H]([NH2+]CCC[NH2+]C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000423522005 394289220 /nfs/dbraw/zinc/28/92/20/394289220.db2.gz GYKJVTHAZRDTGE-HNNXBMFYSA-N 2 1 277.368 2.778 20 5 CFBDMP Cc1c([C@@H](C)[NH2+]CCc2c[nH+]cn2C)cccc1[N+](=O)[O-] ZINC000530407311 394513453 /nfs/dbraw/zinc/51/34/53/394513453.db2.gz OTBPIUQRPRWEJA-GFCCVEGCSA-N 2 1 288.351 2.530 20 5 CFBDMP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000020129217 171017400 /nfs/dbraw/zinc/01/74/00/171017400.db2.gz AZPQFZACXHLFAD-ZDUSSCGKSA-N 2 1 277.368 2.731 20 5 CFBDMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC[NH2+]1 ZINC000332309370 274394186 /nfs/dbraw/zinc/39/41/86/274394186.db2.gz OXBGGBMIIFJNCL-FFSVYQOJSA-N 2 1 289.379 2.702 20 5 CFBDMP CC(C)c1ccc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000261903086 278036746 /nfs/dbraw/zinc/03/67/46/278036746.db2.gz WRPCBHDDZCEHHP-MRXNPFEDSA-N 2 1 291.395 2.889 20 5 CFBDMP CC(C)c1ccc(C[N@H+]2CC[C@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000261903086 278036747 /nfs/dbraw/zinc/03/67/47/278036747.db2.gz WRPCBHDDZCEHHP-MRXNPFEDSA-N 2 1 291.395 2.889 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000420319803 281022805 /nfs/dbraw/zinc/02/28/05/281022805.db2.gz POASBYLIXRTGCZ-AVGNSLFASA-N 2 1 277.368 2.633 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000420314343 281022848 /nfs/dbraw/zinc/02/28/48/281022848.db2.gz VOZSHEFNIRAPBG-YXAMBPQSSA-N 2 1 289.379 2.633 20 5 CFBDMP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000563416690 290146315 /nfs/dbraw/zinc/14/63/15/290146315.db2.gz INIXRJAGOCMBHY-SWLSCSKDSA-N 2 1 289.379 2.514 20 5 CFBDMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000563416690 290146316 /nfs/dbraw/zinc/14/63/16/290146316.db2.gz INIXRJAGOCMBHY-SWLSCSKDSA-N 2 1 289.379 2.514 20 5 CFBDMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)c1ccccc1[N+](=O)[O-] ZINC000575813054 322730612 /nfs/dbraw/zinc/73/06/12/322730612.db2.gz UWJOERFGYPIGDR-LBPRGKRZSA-N 2 1 288.351 2.612 20 5 CFBDMP CC(C)C[C@@H](C[NH3+])[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000414851513 528308167 /nfs/dbraw/zinc/30/81/67/528308167.db2.gz OZLIHBOXGPRSDI-DYLGSBMWSA-N 2 1 277.368 2.571 20 5 CFBDMP CC[NH2+]CC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414847523 528336078 /nfs/dbraw/zinc/33/60/78/528336078.db2.gz OWAVEXIBXCIJES-ZFWWWQNUSA-N 2 1 291.395 2.505 20 5 CFBDMP CCCC[C@@H](C[NH3+])[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000414811092 528818091 /nfs/dbraw/zinc/81/80/91/528818091.db2.gz IVBHJWSICJPSKC-OWNNVSBGSA-N 2 1 277.368 2.715 20 5 CFBDMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423299969 528820239 /nfs/dbraw/zinc/82/02/39/528820239.db2.gz QPMDXWKUZIXPMC-JSGCOSHPSA-N 2 1 279.384 2.633 20 5 CFBDMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423280825 528952614 /nfs/dbraw/zinc/95/26/14/528952614.db2.gz AKLSCTHEBQZQCA-LLVKDONJSA-N 2 1 265.357 2.763 20 5 CFBDMP C[C@H](CC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000895297778 618516569 /nfs/dbraw/zinc/51/65/69/618516569.db2.gz PDHZKPNYNNJQEG-FWPCIQOSSA-N 2 1 277.368 2.538 20 5 CFBDMP C[C@H](C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC000902432726 621078356 /nfs/dbraw/zinc/07/83/56/621078356.db2.gz XAMDMSRMMSPFIP-IPYPFGDCSA-N 2 1 291.395 2.819 20 5 CFBDMP C[C@@H]([NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])[C@@H]1CCCC[NH2+]1 ZINC000902432728 621078513 /nfs/dbraw/zinc/07/85/13/621078513.db2.gz XAMDMSRMMSPFIP-NFAWXSAZSA-N 2 1 291.395 2.819 20 5 CFBDMP C[C@@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1CC[NH3+] ZINC000903977748 621494189 /nfs/dbraw/zinc/49/41/89/621494189.db2.gz YGDLUSZFPDQXNR-ZZEYUXRUSA-N 2 1 289.379 2.525 20 5 CFBDMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000866704696 638868101 /nfs/dbraw/zinc/86/81/01/638868101.db2.gz WTZDPGJPBOYKQN-INIZCTEOSA-N 2 1 291.395 2.792 20 5 CFBDMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000873020043 641986529 /nfs/dbraw/zinc/98/65/29/641986529.db2.gz BZGBSDVIEYDORC-CQSZACIVSA-N 2 1 291.395 2.725 20 5 CFBDMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000873020043 641986533 /nfs/dbraw/zinc/98/65/33/641986533.db2.gz BZGBSDVIEYDORC-CQSZACIVSA-N 2 1 291.395 2.725 20 5 CFBDMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000873029532 641989408 /nfs/dbraw/zinc/98/94/08/641989408.db2.gz JUEABOHPZQOXLY-AWEZNQCLSA-N 2 1 291.395 2.725 20 5 CFBDMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000873029532 641989411 /nfs/dbraw/zinc/98/94/11/641989411.db2.gz JUEABOHPZQOXLY-AWEZNQCLSA-N 2 1 291.395 2.725 20 5 CFBDMP O=[N+]([O-])c1ccccc1C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886865123 647163758 /nfs/dbraw/zinc/16/37/58/647163758.db2.gz AOZNQLTZQKSKFH-MRXNPFEDSA-N 2 1 289.379 2.560 20 5 CFBDMP O=[N+]([O-])c1ccccc1C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886865123 647163765 /nfs/dbraw/zinc/16/37/65/647163765.db2.gz AOZNQLTZQKSKFH-MRXNPFEDSA-N 2 1 289.379 2.560 20 5 CFBDMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000925571429 648222449 /nfs/dbraw/zinc/22/24/49/648222449.db2.gz HSZCDYXJKKCLLL-XJKSGUPXSA-N 2 1 291.395 2.648 20 5 CFBDMP C[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H]1CCC[NH3+] ZINC000595905029 349765594 /nfs/dbraw/zinc/76/55/94/349765594.db2.gz ONLTXEBFXOPOMV-CZUORRHYSA-N 2 1 291.395 2.934 20 5 CFBDMP O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000038000156 346337125 /nfs/dbraw/zinc/33/71/25/346337125.db2.gz ADEDHLPMQMLCFK-HOCLYGCPSA-N 2 1 289.379 2.559 20 5 CFBDMP O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000038000156 346337127 /nfs/dbraw/zinc/33/71/27/346337127.db2.gz ADEDHLPMQMLCFK-HOCLYGCPSA-N 2 1 289.379 2.559 20 5 CFBDMP C[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)[C@H]1CC[NH3+] ZINC000404414444 348591221 /nfs/dbraw/zinc/59/12/21/348591221.db2.gz FIDVPGMXFVWUHJ-WFASDCNBSA-N 2 1 277.368 2.544 20 5 CFBDMP C[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H]1CC[NH3+] ZINC000404414440 348591350 /nfs/dbraw/zinc/59/13/50/348591350.db2.gz FIDVPGMXFVWUHJ-IUODEOHRSA-N 2 1 277.368 2.544 20 5 CFBDMP C[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H]1CC[NH3+] ZINC000404414442 348591549 /nfs/dbraw/zinc/59/15/49/348591549.db2.gz FIDVPGMXFVWUHJ-SWLSCSKDSA-N 2 1 277.368 2.544 20 5 CFBDMP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000591275637 349006482 /nfs/dbraw/zinc/00/64/82/349006482.db2.gz NSLQQEMVQUVTBG-HIFRSBDPSA-N 2 1 291.395 2.648 20 5 CFBDMP C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000591582965 349032602 /nfs/dbraw/zinc/03/26/02/349032602.db2.gz VUZOYELROQJBSY-OCCSQVGLSA-N 2 1 289.379 2.920 20 5 CFBDMP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000591582963 349032629 /nfs/dbraw/zinc/03/26/29/349032629.db2.gz VUZOYELROQJBSY-GXTWGEPZSA-N 2 1 289.379 2.920 20 5 CFBDMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000414170021 233185907 /nfs/dbraw/zinc/18/59/07/233185907.db2.gz BLPUCVHDNPXRRD-UONOGXRCSA-N 2 1 291.395 2.977 20 5 CFBDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000105443344 186058054 /nfs/dbraw/zinc/05/80/54/186058054.db2.gz UPFSTOKFJVMPHD-GFCCVEGCSA-N 2 1 288.351 2.526 20 5 CFBDMP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000599071824 350370822 /nfs/dbraw/zinc/37/08/22/350370822.db2.gz UKTBSNGFTDWCMY-KBPBESRZSA-N 2 1 291.395 2.977 20 5 CFBDMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000599071824 350370826 /nfs/dbraw/zinc/37/08/26/350370826.db2.gz UKTBSNGFTDWCMY-KBPBESRZSA-N 2 1 291.395 2.977 20 5 CFBDMP CC(C)c1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000602020868 350833776 /nfs/dbraw/zinc/83/37/76/350833776.db2.gz ONOKMKLTLVKICW-TZMCWYRMSA-N 2 1 291.395 2.745 20 5 CFBDMP CC(C)c1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000602020868 350833779 /nfs/dbraw/zinc/83/37/79/350833779.db2.gz ONOKMKLTLVKICW-TZMCWYRMSA-N 2 1 291.395 2.745 20 5 CFBDMP C[NH+]1CCC2(CC[N@@H+](Cc3csc([N+](=O)[O-])c3)C2)CC1 ZINC000602875850 351055475 /nfs/dbraw/zinc/05/54/75/351055475.db2.gz BANAHWZNGIIQMW-UHFFFAOYSA-N 2 1 295.408 2.574 20 5 CFBDMP C[N@H+]1CCC[C@@H]2CN(Cc3csc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000158644998 188387497 /nfs/dbraw/zinc/38/74/97/188387497.db2.gz GXMUOCHMOKOEFY-OLZOCXBDSA-N 2 1 295.408 2.572 20 5 CFBDMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000158660583 188387784 /nfs/dbraw/zinc/38/77/84/188387784.db2.gz KUEKHMYWLVJCRK-HOCLYGCPSA-N 2 1 289.379 2.511 20 5 CFBDMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000158660583 188387786 /nfs/dbraw/zinc/38/77/86/188387786.db2.gz KUEKHMYWLVJCRK-HOCLYGCPSA-N 2 1 289.379 2.511 20 5 CFBDMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000158660583 188387787 /nfs/dbraw/zinc/38/77/87/188387787.db2.gz KUEKHMYWLVJCRK-HOCLYGCPSA-N 2 1 289.379 2.511 20 5 CFBDMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000158660583 188387788 /nfs/dbraw/zinc/38/77/88/188387788.db2.gz KUEKHMYWLVJCRK-HOCLYGCPSA-N 2 1 289.379 2.511 20 5 CFBDMP CC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)[C@H]1CCC[NH2+]CC1 ZINC000435613486 240333529 /nfs/dbraw/zinc/33/35/29/240333529.db2.gz KDQWEVOZVJTRPU-HNNXBMFYSA-N 2 1 291.395 2.867 20 5 CFBDMP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000020087912 372227287 /nfs/dbraw/zinc/22/72/87/372227287.db2.gz REENILFADMUNTC-GFCCVEGCSA-N 2 1 279.384 2.833 20 5 CFBDMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000037644167 372682098 /nfs/dbraw/zinc/68/20/98/372682098.db2.gz BXRCZWCDZJGMDY-CJNGLKHVSA-N 2 1 291.395 2.977 20 5 CFBDMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000070171027 374137563 /nfs/dbraw/zinc/13/75/63/374137563.db2.gz HMZGWGASYFMYBO-NSHDSACASA-N 2 1 297.786 2.809 20 5 CFBDMP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253188748 189985468 /nfs/dbraw/zinc/98/54/68/189985468.db2.gz KCKPRPLUDBIBDB-MBNYWOFBSA-N 2 1 277.368 2.573 20 5 CFBDMP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253188748 189985469 /nfs/dbraw/zinc/98/54/69/189985469.db2.gz KCKPRPLUDBIBDB-MBNYWOFBSA-N 2 1 277.368 2.573 20 5 CFBDMP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CC(C)(C)C[NH3+] ZINC000093861196 375322884 /nfs/dbraw/zinc/32/28/84/375322884.db2.gz DIGQZVPCJOGDGO-NSHDSACASA-N 2 1 265.357 2.573 20 5 CFBDMP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CC(C)(C)C[NH3+] ZINC000093861196 375322887 /nfs/dbraw/zinc/32/28/87/375322887.db2.gz DIGQZVPCJOGDGO-NSHDSACASA-N 2 1 265.357 2.573 20 5 CFBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125387822 377150605 /nfs/dbraw/zinc/15/06/05/377150605.db2.gz BMEZGTGZQZLEAC-OSRDXIQISA-N 2 1 289.379 2.715 20 5 CFBDMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000331089203 378631844 /nfs/dbraw/zinc/63/18/44/378631844.db2.gz UNRTZRYDVKGHOW-DOMZBBRYSA-N 2 1 291.395 2.723 20 5 CFBDMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000331089203 378631851 /nfs/dbraw/zinc/63/18/51/378631851.db2.gz UNRTZRYDVKGHOW-DOMZBBRYSA-N 2 1 291.395 2.723 20 5 CFBDMP CC(C)c1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000414966282 381662403 /nfs/dbraw/zinc/66/24/03/381662403.db2.gz WCWIJKXBXBZFGR-IUODEOHRSA-N 2 1 291.395 2.806 20 5 CFBDMP Cc1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000293722773 382251622 /nfs/dbraw/zinc/25/16/22/382251622.db2.gz PRDTUXPHVMDSLP-YPMHNXCESA-N 2 1 279.384 2.752 20 5 CFBDMP [NH3+]C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000420357952 382382280 /nfs/dbraw/zinc/38/22/80/382382280.db2.gz DYRSTAIBCKAXPE-MRXNPFEDSA-N 2 1 291.395 2.635 20 5 CFBDMP Cc1c(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000228317712 382846525 /nfs/dbraw/zinc/84/65/25/382846525.db2.gz IPXFBSXSZPMZRJ-SLEUVZQESA-N 2 1 291.395 2.722 20 5 CFBDMP Cc1c(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000228317712 382846527 /nfs/dbraw/zinc/84/65/27/382846527.db2.gz IPXFBSXSZPMZRJ-SLEUVZQESA-N 2 1 291.395 2.722 20 5 CFBDMP Cc1c([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000423355658 383062901 /nfs/dbraw/zinc/06/29/01/383062901.db2.gz FREJSNZFDJURJQ-QWHCGFSZSA-N 2 1 277.368 2.696 20 5 CFBDMP C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]1 ZINC000423041808 383026230 /nfs/dbraw/zinc/02/62/30/383026230.db2.gz JWNKZJZGYGCFOO-ZWNOBZJWSA-N 2 1 297.786 2.521 20 5 CFBDMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449334383 383224047 /nfs/dbraw/zinc/22/40/47/383224047.db2.gz JFFVXHPHEUMCGR-ZIAGYGMSSA-N 2 1 293.411 2.844 20 5 CFBDMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449334383 383224049 /nfs/dbraw/zinc/22/40/49/383224049.db2.gz JFFVXHPHEUMCGR-ZIAGYGMSSA-N 2 1 293.411 2.844 20 5 CFBDMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000252649367 383423106 /nfs/dbraw/zinc/42/31/06/383423106.db2.gz WWAYETPSKNTSPB-CFVMTHIKSA-N 2 1 289.379 2.872 20 5 CFBDMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000252649367 383423109 /nfs/dbraw/zinc/42/31/09/383423109.db2.gz WWAYETPSKNTSPB-CFVMTHIKSA-N 2 1 289.379 2.872 20 5 CFBDMP CC(C)(C[NH2+]Cc1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000276737402 386029991 /nfs/dbraw/zinc/02/99/91/386029991.db2.gz XFTRTXWVSXGYFS-UHFFFAOYSA-N 2 1 291.395 2.806 20 5 CFBDMP [NH3+]C[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000415071575 393810821 /nfs/dbraw/zinc/81/08/21/393810821.db2.gz WOYFIDXKKMJZMF-ZHMISCPASA-N 2 1 289.379 2.715 20 5 CFBDMP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000424289327 393815230 /nfs/dbraw/zinc/81/52/30/393815230.db2.gz BXCIWCBVIWDXJX-LERXQTSPSA-N 2 1 263.341 2.515 20 5 CFBDMP C[C@@H]1CC2(C[N@H+]1Cc1csc([N+](=O)[O-])c1)CC[NH2+]CC2 ZINC000424296701 393816525 /nfs/dbraw/zinc/81/65/25/393816525.db2.gz SFROVOQCHDHZEM-LLVKDONJSA-N 2 1 295.408 2.620 20 5 CFBDMP C[C@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000423176643 394272936 /nfs/dbraw/zinc/27/29/36/394272936.db2.gz HMYNKVPETODBOA-LBPRGKRZSA-N 2 1 277.368 2.907 20 5 CFBDMP Cc1ccc([C@H](C)[NH2+]CCC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000423516080 394287976 /nfs/dbraw/zinc/28/79/76/394287976.db2.gz AOTKIOOQUUFSGL-LBPRGKRZSA-N 2 1 277.368 2.696 20 5 CFBDMP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226325117 287144973 /nfs/dbraw/zinc/14/49/73/287144973.db2.gz CKCNDLFOCSCTKZ-STQMWFEESA-N 2 1 277.368 2.717 20 5 CFBDMP CC[C@@H]([NH2+]C1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000037266985 173076587 /nfs/dbraw/zinc/07/65/87/173076587.db2.gz MRJINEIMAKKEOR-OAHLLOKOSA-N 2 1 277.368 2.730 20 5 CFBDMP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000044534302 175197131 /nfs/dbraw/zinc/19/71/31/175197131.db2.gz UKAZFNOYKOWBAQ-KBPBESRZSA-N 2 1 291.395 2.896 20 5 CFBDMP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000044534302 175197133 /nfs/dbraw/zinc/19/71/33/175197133.db2.gz UKAZFNOYKOWBAQ-KBPBESRZSA-N 2 1 291.395 2.896 20 5 CFBDMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc([N+](=O)[O-])cc1 ZINC000518211190 260357124 /nfs/dbraw/zinc/35/71/24/260357124.db2.gz CVJCKRNYBFDFRQ-LBPRGKRZSA-N 2 1 288.351 2.612 20 5 CFBDMP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000049553819 278170736 /nfs/dbraw/zinc/17/07/36/278170736.db2.gz ZFKNFRKANAZMAK-NEPJUHHUSA-N 2 1 265.357 2.586 20 5 CFBDMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000423536035 278279386 /nfs/dbraw/zinc/27/93/86/278279386.db2.gz YXXQFPZEUDVEQK-XHDPSFHLSA-N 2 1 277.368 2.763 20 5 CFBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228473012 290251587 /nfs/dbraw/zinc/25/15/87/290251587.db2.gz QTZLMXSNAADVME-WXYCVUISSA-N 2 1 289.379 2.715 20 5 CFBDMP CC[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000049553779 522909081 /nfs/dbraw/zinc/90/90/81/522909081.db2.gz SQGNKSXFXSSMNP-SWLSCSKDSA-N 2 1 279.384 2.976 20 5 CFBDMP CCC([NH3+])(CC)C[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000414803995 528947957 /nfs/dbraw/zinc/94/79/57/528947957.db2.gz DNJPOEMQIIHWAW-UHFFFAOYSA-N 2 1 265.357 2.510 20 5 CFBDMP C[C@H](CC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000895297779 618516794 /nfs/dbraw/zinc/51/67/94/618516794.db2.gz PDHZKPNYNNJQEG-STMXVASLSA-N 2 1 277.368 2.538 20 5 CFBDMP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000841031792 620258967 /nfs/dbraw/zinc/25/89/67/620258967.db2.gz XXVWZZVTOVPCNU-YGRLFVJLSA-N 2 1 297.786 2.855 20 5 CFBDMP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000841059117 620423400 /nfs/dbraw/zinc/42/34/00/620423400.db2.gz XVWXPNQFHCXDNJ-NEPJUHHUSA-N 2 1 283.759 2.608 20 5 CFBDMP [NH3+][C@@H]1CC[C@H](C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000903455093 621388289 /nfs/dbraw/zinc/38/82/89/621388289.db2.gz PUTDUGKLWCVVMT-UONOGXRCSA-N 2 1 289.379 2.687 20 5 CFBDMP Cc1c(C[NH2+]C[C@H](C)C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000062071723 623246907 /nfs/dbraw/zinc/24/69/07/623246907.db2.gz VKYHRMWOMJAQMO-ZDUSSCGKSA-N 2 1 291.395 2.725 20 5 CFBDMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000070171164 625279575 /nfs/dbraw/zinc/27/95/75/625279575.db2.gz PKGODBUSCRUNMU-LLVKDONJSA-N 2 1 297.786 2.809 20 5 CFBDMP C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1C[NH3+] ZINC000923496423 626476436 /nfs/dbraw/zinc/47/64/36/626476436.db2.gz IDZHDERHMCPFTB-GHMZBOCLSA-N 2 1 297.786 2.665 20 5 CFBDMP C[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC[C@H]1C[NH3+] ZINC000923499742 626477377 /nfs/dbraw/zinc/47/73/77/626477377.db2.gz SXNIDBYBPLCHAZ-QWRGUYRKSA-N 2 1 297.786 2.665 20 5 CFBDMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841072389 631331310 /nfs/dbraw/zinc/33/13/10/631331310.db2.gz JHVJTTYZDNLRET-CYBMUJFWSA-N 2 1 297.786 2.726 20 5 CFBDMP C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CCC([NH3+])CC1 ZINC000843055888 631818956 /nfs/dbraw/zinc/81/89/56/631818956.db2.gz RGVHROYBHUZDLS-GQCTYLIASA-N 2 1 289.379 2.810 20 5 CFBDMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000843113625 631838616 /nfs/dbraw/zinc/83/86/16/631838616.db2.gz ZOKOGERWIZTVNH-NSHDSACASA-N 2 1 297.786 2.809 20 5 CFBDMP CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](OCCC[N+](C)(C)C)C2 ZINC001224620810 778603255 /nfs/dbraw/zinc/60/32/55/778603255.db2.gz BYFDBRHDZPXTMZ-ZSHCYNCHSA-N 2 1 269.453 2.503 20 5 CFBDMP CC[C@@H]1C[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000251798628 348293971 /nfs/dbraw/zinc/29/39/71/348293971.db2.gz NYTGZHXDQPRIBR-JMSVASOKSA-N 2 1 277.368 2.715 20 5 CFBDMP CC[C@@H]1C[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000251798628 348293978 /nfs/dbraw/zinc/29/39/78/348293978.db2.gz NYTGZHXDQPRIBR-JMSVASOKSA-N 2 1 277.368 2.715 20 5 CFBDMP C[C@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H]1CC[NH3+] ZINC000404411545 348591354 /nfs/dbraw/zinc/59/13/54/348591354.db2.gz XWRFMUQMCUNIAL-XJKSGUPXSA-N 2 1 291.395 2.587 20 5 CFBDMP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000591282622 349006294 /nfs/dbraw/zinc/00/62/94/349006294.db2.gz HSEBEMXXEKQSHL-CQSZACIVSA-N 2 1 289.379 2.668 20 5 CFBDMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000414910448 233395901 /nfs/dbraw/zinc/39/59/01/233395901.db2.gz CWBCAQVWSZUWCQ-GHMZBOCLSA-N 2 1 283.759 2.608 20 5 CFBDMP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000414910958 233397294 /nfs/dbraw/zinc/39/72/94/233397294.db2.gz CXNQQBORXFQLKA-GZBFAFLISA-N 2 1 291.395 2.504 20 5 CFBDMP Cc1c(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000598979178 350353056 /nfs/dbraw/zinc/35/30/56/350353056.db2.gz ZEOLHPTYPWTLBK-AWEZNQCLSA-N 2 1 291.395 2.866 20 5 CFBDMP Cc1c(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000598979178 350353061 /nfs/dbraw/zinc/35/30/61/350353061.db2.gz ZEOLHPTYPWTLBK-AWEZNQCLSA-N 2 1 291.395 2.866 20 5 CFBDMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000136294947 378194949 /nfs/dbraw/zinc/19/49/49/378194949.db2.gz RRUHQWBDJABKRP-UHFFFAOYSA-N 2 1 288.351 2.622 20 5 CFBDMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000136294947 378194956 /nfs/dbraw/zinc/19/49/56/378194956.db2.gz RRUHQWBDJABKRP-UHFFFAOYSA-N 2 1 288.351 2.622 20 5 CFBDMP Cc1c([C@@H](C)[NH2+]CCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000151931637 378374347 /nfs/dbraw/zinc/37/43/47/378374347.db2.gz HLUXYVQGNIAWEB-GFCCVEGCSA-N 2 1 265.357 2.506 20 5 CFBDMP CN(CC[C@@H]1CCCC[N@H+]1C)Cc1ccccc1[N+](=O)[O-] ZINC000173961243 379806265 /nfs/dbraw/zinc/80/62/65/379806265.db2.gz WSYYGZRZQNFSCY-HNNXBMFYSA-N 2 1 291.395 2.901 20 5 CFBDMP C[C@H]([NH3+])[C@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000347234976 381020885 /nfs/dbraw/zinc/02/08/85/381020885.db2.gz ZYYRYDAIHSELJS-MFOKFAIFSA-N 2 1 289.379 2.667 20 5 CFBDMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000347234976 381020897 /nfs/dbraw/zinc/02/08/97/381020897.db2.gz ZYYRYDAIHSELJS-MFOKFAIFSA-N 2 1 289.379 2.667 20 5 CFBDMP Cc1ccc(C[NH2+][C@@H](C[NH3+])C2CCCC2)cc1[N+](=O)[O-] ZINC000415066345 381751727 /nfs/dbraw/zinc/75/17/27/381751727.db2.gz OKMPIUYZCITXSG-AWEZNQCLSA-N 2 1 277.368 2.510 20 5 CFBDMP C[C@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C[NH+](C)C ZINC000293777017 382275791 /nfs/dbraw/zinc/27/57/91/382275791.db2.gz SYCSCLQUGHHEHW-WBMJQRKESA-N 2 1 291.395 2.760 20 5 CFBDMP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000366406962 382506250 /nfs/dbraw/zinc/50/62/50/382506250.db2.gz BDXVZEZLTJRELN-ZBFHGGJFSA-N 2 1 289.379 2.511 20 5 CFBDMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000366406962 382506253 /nfs/dbraw/zinc/50/62/53/382506253.db2.gz BDXVZEZLTJRELN-ZBFHGGJFSA-N 2 1 289.379 2.511 20 5 CFBDMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000366406962 382506256 /nfs/dbraw/zinc/50/62/56/382506256.db2.gz BDXVZEZLTJRELN-ZBFHGGJFSA-N 2 1 289.379 2.511 20 5 CFBDMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000366406962 382506262 /nfs/dbraw/zinc/50/62/62/382506262.db2.gz BDXVZEZLTJRELN-ZBFHGGJFSA-N 2 1 289.379 2.511 20 5 CFBDMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000226331664 382826849 /nfs/dbraw/zinc/82/68/49/382826849.db2.gz NGJYSKKUTIHDSJ-RWMBFGLXSA-N 2 1 277.368 2.715 20 5 CFBDMP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000226331664 382826850 /nfs/dbraw/zinc/82/68/50/382826850.db2.gz NGJYSKKUTIHDSJ-RWMBFGLXSA-N 2 1 277.368 2.715 20 5 CFBDMP CCC[C@H]([NH2+]C[C@H]([NH3+])CC)c1cccc([N+](=O)[O-])c1 ZINC000423469306 383107067 /nfs/dbraw/zinc/10/70/67/383107067.db2.gz OTWMWXDZKMWDBI-OCCSQVGLSA-N 2 1 265.357 2.763 20 5 CFBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000251267900 383387090 /nfs/dbraw/zinc/38/70/90/383387090.db2.gz NGJYSKKUTIHDSJ-XQQFMLRXSA-N 2 1 277.368 2.715 20 5 CFBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000251267900 383387092 /nfs/dbraw/zinc/38/70/92/383387092.db2.gz NGJYSKKUTIHDSJ-XQQFMLRXSA-N 2 1 277.368 2.715 20 5 CFBDMP C[C@@H]1C[C@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])CC[N@@H+]1C ZINC000568647424 383423932 /nfs/dbraw/zinc/42/39/32/383423932.db2.gz NJVDWYUWIDGWAG-LALPHHSUSA-N 2 1 289.379 2.654 20 5 CFBDMP C[C@@H]1C[C@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])CC[N@H+]1C ZINC000568647424 383423935 /nfs/dbraw/zinc/42/39/35/383423935.db2.gz NJVDWYUWIDGWAG-LALPHHSUSA-N 2 1 289.379 2.654 20 5 CFBDMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC[N@@H+]1C ZINC000568647424 383423939 /nfs/dbraw/zinc/42/39/39/383423939.db2.gz NJVDWYUWIDGWAG-LALPHHSUSA-N 2 1 289.379 2.654 20 5 CFBDMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC[N@H+]1C ZINC000568647424 383423941 /nfs/dbraw/zinc/42/39/41/383423941.db2.gz NJVDWYUWIDGWAG-LALPHHSUSA-N 2 1 289.379 2.654 20 5 CFBDMP C[C@@H]1C[C@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])CC[N@@H+]1C ZINC000568647423 383423990 /nfs/dbraw/zinc/42/39/90/383423990.db2.gz NJVDWYUWIDGWAG-JMSVASOKSA-N 2 1 289.379 2.654 20 5 CFBDMP C[C@@H]1C[C@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])CC[N@H+]1C ZINC000568647423 383423993 /nfs/dbraw/zinc/42/39/93/383423993.db2.gz NJVDWYUWIDGWAG-JMSVASOKSA-N 2 1 289.379 2.654 20 5 CFBDMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC[N@@H+]1C ZINC000568647423 383423997 /nfs/dbraw/zinc/42/39/97/383423997.db2.gz NJVDWYUWIDGWAG-JMSVASOKSA-N 2 1 289.379 2.654 20 5 CFBDMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC[N@H+]1C ZINC000568647423 383424000 /nfs/dbraw/zinc/42/40/00/383424000.db2.gz NJVDWYUWIDGWAG-JMSVASOKSA-N 2 1 289.379 2.654 20 5 CFBDMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000249370158 131120791 /nfs/dbraw/zinc/12/07/91/131120791.db2.gz ADUDLOGLTKLQOT-ZIAGYGMSSA-N 2 1 291.395 2.896 20 5 CFBDMP Cc1c(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])cccc1[N+](=O)[O-] ZINC000423077708 394265580 /nfs/dbraw/zinc/26/55/80/394265580.db2.gz MWCUAMSLRLVXBD-KBPBESRZSA-N 2 1 277.368 2.653 20 5 CFBDMP Cc1c([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000158176160 394355329 /nfs/dbraw/zinc/35/53/29/394355329.db2.gz GCAJITAUAGNHOW-UONOGXRCSA-N 2 1 291.395 2.896 20 5 CFBDMP C[C@@H]1C[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000344610617 162081107 /nfs/dbraw/zinc/08/11/07/162081107.db2.gz AXBHVKDFBWOWQC-BBUPELFUSA-N 2 1 289.379 2.680 20 5 CFBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000314656485 265172939 /nfs/dbraw/zinc/17/29/39/265172939.db2.gz BCEPCHSSILQAIF-YUELXQCFSA-N 2 1 289.379 2.587 20 5 CFBDMP C[NH2+]CCC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423208590 273960027 /nfs/dbraw/zinc/96/00/27/273960027.db2.gz ZJJSJYZGPYHABL-CQSZACIVSA-N 2 1 277.368 2.516 20 5 CFBDMP C[NH+]1CCC2(CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000374321983 277038462 /nfs/dbraw/zinc/03/84/62/277038462.db2.gz BKJIHRCZIAPNQJ-UHFFFAOYSA-N 2 1 289.379 2.655 20 5 CFBDMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000245425964 521720590 /nfs/dbraw/zinc/72/05/90/521720590.db2.gz LAGADGYPMJXLDN-BBRMVZONSA-N 2 1 291.395 2.757 20 5 CFBDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000245425964 521720592 /nfs/dbraw/zinc/72/05/92/521720592.db2.gz LAGADGYPMJXLDN-BBRMVZONSA-N 2 1 291.395 2.757 20 5 CFBDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000245425964 521720593 /nfs/dbraw/zinc/72/05/93/521720593.db2.gz LAGADGYPMJXLDN-BBRMVZONSA-N 2 1 291.395 2.757 20 5 CFBDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000245425964 521720594 /nfs/dbraw/zinc/72/05/94/521720594.db2.gz LAGADGYPMJXLDN-BBRMVZONSA-N 2 1 291.395 2.757 20 5 CFBDMP C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)CC1CC[NH+](C)CC1 ZINC000313977236 523272304 /nfs/dbraw/zinc/27/23/04/523272304.db2.gz VDNSIVWTIJFUKS-UHFFFAOYSA-N 2 1 295.358 2.508 20 5 CFBDMP C[NH2+]CC1CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000093633639 619280618 /nfs/dbraw/zinc/28/06/18/619280618.db2.gz CZVUGFPIFZRUEV-UHFFFAOYSA-N 2 1 297.786 2.680 20 5 CFBDMP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC000902432731 621078496 /nfs/dbraw/zinc/07/84/96/621078496.db2.gz XAMDMSRMMSPFIP-YDHLFZDLSA-N 2 1 291.395 2.819 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903498282 621394105 /nfs/dbraw/zinc/39/41/05/621394105.db2.gz BUTXPTPIQWAWPR-HZSPNIEDSA-N 2 1 291.395 2.881 20 5 CFBDMP C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1CC[NH3+] ZINC000903978727 621494213 /nfs/dbraw/zinc/49/42/13/621494213.db2.gz VUMCCDZFFFWWQO-ZYHUDNBSSA-N 2 1 297.786 2.665 20 5 CFBDMP C[C@@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@H]1CC[NH3+] ZINC000903977746 621494470 /nfs/dbraw/zinc/49/44/70/621494470.db2.gz YGDLUSZFPDQXNR-AVXNYWLKSA-N 2 1 289.379 2.525 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923480476 626475966 /nfs/dbraw/zinc/47/59/66/626475966.db2.gz HKDCPDWQEGZZGW-OLZOCXBDSA-N 2 1 277.368 2.635 20 5 CFBDMP C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC[C@@H]1C[NH3+] ZINC000923499201 626477320 /nfs/dbraw/zinc/47/73/20/626477320.db2.gz RHHBADVGRISYGJ-GHMZBOCLSA-N 2 1 297.786 2.665 20 5 CFBDMP Cc1[nH+]ccn1CC[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873030749 641989835 /nfs/dbraw/zinc/98/98/35/641989835.db2.gz LKSZHVIGZSSICO-UHFFFAOYSA-N 2 1 288.351 2.506 20 5 CFBDMP [NH2+]=C(Nc1cc2cccnc2c2ncccc12)SCC[NH3+] ZINC001167913361 775297183 /nfs/dbraw/zinc/29/71/83/775297183.db2.gz XJHQLFAAERMTCZ-UHFFFAOYSA-N 2 1 297.387 2.822 20 5 CFBDMP CC[C@@H]1C[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000251767291 348293882 /nfs/dbraw/zinc/29/38/82/348293882.db2.gz MGFFCLKHGFGCJD-YRGRVCCFSA-N 2 1 277.368 2.715 20 5 CFBDMP CC[C@@H]1C[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000251767291 348293887 /nfs/dbraw/zinc/29/38/87/348293887.db2.gz MGFFCLKHGFGCJD-YRGRVCCFSA-N 2 1 277.368 2.715 20 5 CFBDMP CC[C@@H]1C[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000251798635 348294021 /nfs/dbraw/zinc/29/40/21/348294021.db2.gz NYTGZHXDQPRIBR-YWPYICTPSA-N 2 1 277.368 2.715 20 5 CFBDMP CC[C@@H]1C[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000251798635 348294024 /nfs/dbraw/zinc/29/40/24/348294024.db2.gz NYTGZHXDQPRIBR-YWPYICTPSA-N 2 1 277.368 2.715 20 5 CFBDMP C[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H]1CC[NH3+] ZINC000404444380 348592032 /nfs/dbraw/zinc/59/20/32/348592032.db2.gz WJUJHJLWKXZCNN-SWLSCSKDSA-N 2 1 277.368 2.544 20 5 CFBDMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000414808289 233359793 /nfs/dbraw/zinc/35/97/93/233359793.db2.gz SCWWRMNZEBZEGX-HZMBPMFUSA-N 2 1 297.786 2.855 20 5 CFBDMP C[N@H+]1CC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000598962732 350349541 /nfs/dbraw/zinc/34/95/41/350349541.db2.gz IQSZMKXXAHOXNH-CQSZACIVSA-N 2 1 291.395 2.600 20 5 CFBDMP C[C@H](NC[C@H]1CCCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000599070035 350370221 /nfs/dbraw/zinc/37/02/21/350370221.db2.gz JOZKRORIJBJQFN-UONOGXRCSA-N 2 1 291.395 2.977 20 5 CFBDMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000599070035 350370226 /nfs/dbraw/zinc/37/02/26/350370226.db2.gz JOZKRORIJBJQFN-UONOGXRCSA-N 2 1 291.395 2.977 20 5 CFBDMP C[N@H+]1CC=C(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000271873987 191383240 /nfs/dbraw/zinc/38/32/40/191383240.db2.gz YRBKWIMKFGQRIV-UHFFFAOYSA-N 2 1 295.770 2.600 20 5 CFBDMP C[N@@H+]1CC=C(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000271873987 191383242 /nfs/dbraw/zinc/38/32/42/191383242.db2.gz YRBKWIMKFGQRIV-UHFFFAOYSA-N 2 1 295.770 2.600 20 5 CFBDMP C[N@@H+]1CC=C(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000271868298 191378500 /nfs/dbraw/zinc/37/85/00/191378500.db2.gz WYWGICGVTGNERR-UHFFFAOYSA-N 2 1 295.770 2.600 20 5 CFBDMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000459734910 245293202 /nfs/dbraw/zinc/29/32/02/245293202.db2.gz OWHCCNVVRBBDEK-LBPRGKRZSA-N 2 1 295.358 2.555 20 5 CFBDMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000037644300 372681490 /nfs/dbraw/zinc/68/14/90/372681490.db2.gz UAIZWNOYVZCUQP-STQMWFEESA-N 2 1 277.368 2.587 20 5 CFBDMP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070169444 374134986 /nfs/dbraw/zinc/13/49/86/374134986.db2.gz CKCNDLFOCSCTKZ-QWHCGFSZSA-N 2 1 277.368 2.717 20 5 CFBDMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000069754272 374093789 /nfs/dbraw/zinc/09/37/89/374093789.db2.gz JQEPUBHSMHFDGZ-UHFFFAOYSA-N 2 1 288.351 2.588 20 5 CFBDMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284164987 284604560 /nfs/dbraw/zinc/60/45/60/284604560.db2.gz QCHVZBJODKBOKR-LBPRGKRZSA-N 2 1 294.399 2.560 20 5 CFBDMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423299971 383056896 /nfs/dbraw/zinc/05/68/96/383056896.db2.gz QPMDXWKUZIXPMC-TZMCWYRMSA-N 2 1 279.384 2.633 20 5 CFBDMP CCC[C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000423448141 383100171 /nfs/dbraw/zinc/10/01/71/383100171.db2.gz PTTTVXYKVGLYCM-SUNKGSAMSA-N 2 1 265.357 2.761 20 5 CFBDMP CCC[C@@H]([NH2+]C[C@H]([NH3+])CC)c1cccc([N+](=O)[O-])c1 ZINC000423469307 383107220 /nfs/dbraw/zinc/10/72/20/383107220.db2.gz OTWMWXDZKMWDBI-TZMCWYRMSA-N 2 1 265.357 2.763 20 5 CFBDMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000247157114 383148756 /nfs/dbraw/zinc/14/87/56/383148756.db2.gz UAJUJUSFPDRRTM-KGLIPLIRSA-N 2 1 291.395 2.977 20 5 CFBDMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000247157114 383148758 /nfs/dbraw/zinc/14/87/58/383148758.db2.gz UAJUJUSFPDRRTM-KGLIPLIRSA-N 2 1 291.395 2.977 20 5 CFBDMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449072694 383162231 /nfs/dbraw/zinc/16/22/31/383162231.db2.gz KVNREPHPBFOTOE-AWEZNQCLSA-N 2 1 293.411 2.846 20 5 CFBDMP C[N@@H+](CCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000453601761 383868582 /nfs/dbraw/zinc/86/85/82/383868582.db2.gz VNTNLLYCTPBRTO-UHFFFAOYSA-N 2 1 277.368 2.559 20 5 CFBDMP C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC[C@H]1CCC[NH+]1C ZINC000282372993 385296438 /nfs/dbraw/zinc/29/64/38/385296438.db2.gz FJMBWEPMZNTOLJ-OAHLLOKOSA-N 2 1 291.395 2.553 20 5 CFBDMP C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC[C@H]1CCC[NH+]1C ZINC000282372993 385296443 /nfs/dbraw/zinc/29/64/43/385296443.db2.gz FJMBWEPMZNTOLJ-OAHLLOKOSA-N 2 1 291.395 2.553 20 5 CFBDMP C[NH+](CCc1cccc([N+](=O)[O-])c1)CC[C@H]1CCC[N@@H+]1C ZINC000282372993 385296446 /nfs/dbraw/zinc/29/64/46/385296446.db2.gz FJMBWEPMZNTOLJ-OAHLLOKOSA-N 2 1 291.395 2.553 20 5 CFBDMP C[NH+](CCc1cccc([N+](=O)[O-])c1)CC[C@H]1CCC[N@H+]1C ZINC000282372993 385296452 /nfs/dbraw/zinc/29/64/52/385296452.db2.gz FJMBWEPMZNTOLJ-OAHLLOKOSA-N 2 1 291.395 2.553 20 5 CFBDMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc([N+](=O)[O-])cc1 ZINC000423217914 533342193 /nfs/dbraw/zinc/34/21/93/533342193.db2.gz SRNHSYDLZFHFBC-BKQLOGFTSA-N 2 1 275.352 2.528 20 5 CFBDMP Cc1c(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])cccc1[N+](=O)[O-] ZINC000423077709 394265421 /nfs/dbraw/zinc/26/54/21/394265421.db2.gz MWCUAMSLRLVXBD-KGLIPLIRSA-N 2 1 277.368 2.653 20 5 CFBDMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000423536034 394292997 /nfs/dbraw/zinc/29/29/97/394292997.db2.gz YXXQFPZEUDVEQK-NHYWBVRUSA-N 2 1 277.368 2.763 20 5 CFBDMP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000044534300 175197825 /nfs/dbraw/zinc/19/78/25/175197825.db2.gz UKAZFNOYKOWBAQ-KGLIPLIRSA-N 2 1 291.395 2.896 20 5 CFBDMP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000044534300 175197827 /nfs/dbraw/zinc/19/78/27/175197827.db2.gz UKAZFNOYKOWBAQ-KGLIPLIRSA-N 2 1 291.395 2.896 20 5 CFBDMP CC[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000424378130 270333355 /nfs/dbraw/zinc/33/33/55/270333355.db2.gz SEXYNLAIOUYIAN-QLFBSQMISA-N 2 1 277.368 2.905 20 5 CFBDMP Cc1c([C@H](C)[NH2+]CCc2c[nH+]cn2C)cccc1[N+](=O)[O-] ZINC000530407312 270790694 /nfs/dbraw/zinc/79/06/94/270790694.db2.gz OTBPIUQRPRWEJA-LBPRGKRZSA-N 2 1 288.351 2.530 20 5 CFBDMP CC1(C)C[C@H]([NH2+]C2CC[NH2+]CC2)c2cc([N+](=O)[O-])ccc21 ZINC000332026521 273588886 /nfs/dbraw/zinc/58/88/86/273588886.db2.gz VDYWJSAYVJCDBP-HNNXBMFYSA-N 2 1 289.379 2.659 20 5 CFBDMP CC(C)c1ccc(C[N@@H+]2CCC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000347036459 276052868 /nfs/dbraw/zinc/05/28/68/276052868.db2.gz GXXZHOFNYBHPHP-CQSZACIVSA-N 2 1 291.395 2.889 20 5 CFBDMP CC(C)c1ccc(C[N@H+]2CCC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000347036459 276052869 /nfs/dbraw/zinc/05/28/69/276052869.db2.gz GXXZHOFNYBHPHP-CQSZACIVSA-N 2 1 291.395 2.889 20 5 CFBDMP CC[NH+](CC)CCC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352559726 276095659 /nfs/dbraw/zinc/09/56/59/276095659.db2.gz DJZILJDWXTYQJW-UHFFFAOYSA-N 2 1 293.411 2.801 20 5 CFBDMP CC[NH+](CC)CCC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352559726 276095661 /nfs/dbraw/zinc/09/56/61/276095661.db2.gz DJZILJDWXTYQJW-UHFFFAOYSA-N 2 1 293.411 2.801 20 5 CFBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000566242814 290361535 /nfs/dbraw/zinc/36/15/35/290361535.db2.gz KZOYDHSLVQJJRM-CJNGLKHVSA-N 2 1 289.379 2.731 20 5 CFBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000566242814 290361536 /nfs/dbraw/zinc/36/15/36/290361536.db2.gz KZOYDHSLVQJJRM-CJNGLKHVSA-N 2 1 289.379 2.731 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424290494 301869481 /nfs/dbraw/zinc/86/94/81/301869481.db2.gz MRLIJJKJVXAEOU-NILFDRSVSA-N 2 1 277.368 2.824 20 5 CFBDMP CC[N@@H+]1CCC[C@@H]1CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000581834487 325152101 /nfs/dbraw/zinc/15/21/01/325152101.db2.gz QJSIYCCKNGBYBI-IUODEOHRSA-N 2 1 289.379 2.656 20 5 CFBDMP CC[N@H+]1CCC[C@@H]1CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000581834487 325152107 /nfs/dbraw/zinc/15/21/07/325152107.db2.gz QJSIYCCKNGBYBI-IUODEOHRSA-N 2 1 289.379 2.656 20 5 CFBDMP Cc1ccc([C@H](C)[NH2+][C@@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000049553664 525932070 /nfs/dbraw/zinc/93/20/70/525932070.db2.gz STSSAUKYOCBMDB-STQMWFEESA-N 2 1 279.384 2.894 20 5 CFBDMP CCC[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000423283827 528235917 /nfs/dbraw/zinc/23/59/17/528235917.db2.gz WJCLEXUBNHUYJE-GJZGRUSLSA-N 2 1 277.368 2.763 20 5 CFBDMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423299968 528953961 /nfs/dbraw/zinc/95/39/61/528953961.db2.gz QPMDXWKUZIXPMC-GXTWGEPZSA-N 2 1 279.384 2.633 20 5 CFBDMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000459734907 536384661 /nfs/dbraw/zinc/38/46/61/536384661.db2.gz OWHCCNVVRBBDEK-GFCCVEGCSA-N 2 1 295.358 2.555 20 5 CFBDMP CC[C@H]([NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]1 ZINC000902428953 621076016 /nfs/dbraw/zinc/07/60/16/621076016.db2.gz INPCPBHDCUXOGG-SNPRPXQTSA-N 2 1 291.395 2.819 20 5 CFBDMP C[C@@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC[C@@H]1C[NH3+] ZINC000904410709 621591857 /nfs/dbraw/zinc/59/18/57/621591857.db2.gz FTONZDSFZHNKIM-ZZEYUXRUSA-N 2 1 289.379 2.525 20 5 CFBDMP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923497911 626477201 /nfs/dbraw/zinc/47/72/01/626477201.db2.gz NEURJZRHJWDHIF-AGIUHOORSA-N 2 1 277.368 2.573 20 5 CFBDMP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000841056095 631324111 /nfs/dbraw/zinc/32/41/11/631324111.db2.gz XQMWLBMGOBTIBU-QWRGUYRKSA-N 2 1 283.759 2.608 20 5 CFBDMP C[NH2+]CC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000843049703 631814594 /nfs/dbraw/zinc/81/45/94/631814594.db2.gz SDJANXIORNANSG-UHFFFAOYSA-N 2 1 297.786 2.680 20 5 CFBDMP Cc1ccc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])cc1[N+](=O)[O-] ZINC000873253484 642098943 /nfs/dbraw/zinc/09/89/43/642098943.db2.gz YKZDILLORVTQMI-KBPBESRZSA-N 2 1 277.368 2.653 20 5 CFBDMP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723887143 770706941 /nfs/dbraw/zinc/70/69/41/770706941.db2.gz KZGWIFULBJMLBL-MBNYWOFBSA-N 2 1 277.368 2.573 20 5 CFBDMP C[N+](C)(C)CCCO[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001224619142 775227621 /nfs/dbraw/zinc/22/76/21/775227621.db2.gz MDPHOWTUIMNLQB-SFHVURJKSA-N 2 1 291.459 2.764 20 5 CFBDMP C[N+](C)(C)CCO[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC001224775120 775269319 /nfs/dbraw/zinc/26/93/19/775269319.db2.gz IYRXUVCVSYXUPW-MRXNPFEDSA-N 2 1 295.422 2.513 20 5 CFBDMP Cc1c([C@@H](C)[NH2+]CC2([NH3+])CCCC2)cccc1[N+](=O)[O-] ZINC000596647727 349967638 /nfs/dbraw/zinc/96/76/38/349967638.db2.gz AFLABIBSXHROED-GFCCVEGCSA-N 2 1 277.368 2.825 20 5 CFBDMP O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000252412619 348295372 /nfs/dbraw/zinc/29/53/72/348295372.db2.gz ADEDHLPMQMLCFK-GDBMZVCRSA-N 2 1 289.379 2.559 20 5 CFBDMP O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000252412619 348295374 /nfs/dbraw/zinc/29/53/74/348295374.db2.gz ADEDHLPMQMLCFK-GDBMZVCRSA-N 2 1 289.379 2.559 20 5 CFBDMP C[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@H]1CC[NH3+] ZINC000404365309 348591378 /nfs/dbraw/zinc/59/13/78/348591378.db2.gz PBDQALCERQTKDR-NHYWBVRUSA-N 2 1 295.358 2.683 20 5 CFBDMP C[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@H]1CC[NH3+] ZINC000404365309 348591379 /nfs/dbraw/zinc/59/13/79/348591379.db2.gz PBDQALCERQTKDR-NHYWBVRUSA-N 2 1 295.358 2.683 20 5 CFBDMP C[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@H]1CC[NH3+] ZINC000404365304 348591402 /nfs/dbraw/zinc/59/14/02/348591402.db2.gz PBDQALCERQTKDR-ABAIWWIYSA-N 2 1 295.358 2.683 20 5 CFBDMP C[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@H]1CC[NH3+] ZINC000404365304 348591404 /nfs/dbraw/zinc/59/14/04/348591404.db2.gz PBDQALCERQTKDR-ABAIWWIYSA-N 2 1 295.358 2.683 20 5 CFBDMP C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000591582666 349032521 /nfs/dbraw/zinc/03/25/21/349032521.db2.gz SRBHKPSBYIQQBI-TZMCWYRMSA-N 2 1 289.379 2.920 20 5 CFBDMP Cc1ccc(CNC[C@H]2CCCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000598994052 350356700 /nfs/dbraw/zinc/35/67/00/350356700.db2.gz GIAXBURSPCURFS-OAHLLOKOSA-N 2 1 291.395 2.725 20 5 CFBDMP Cc1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000598994052 350356705 /nfs/dbraw/zinc/35/67/05/350356705.db2.gz GIAXBURSPCURFS-OAHLLOKOSA-N 2 1 291.395 2.725 20 5 CFBDMP Cc1ccc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000598994052 350356711 /nfs/dbraw/zinc/35/67/11/350356711.db2.gz GIAXBURSPCURFS-OAHLLOKOSA-N 2 1 291.395 2.725 20 5 CFBDMP CCOc1ccc([C@@H](C)[NH2+]CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000152544483 188027223 /nfs/dbraw/zinc/02/72/23/188027223.db2.gz MOCNAKIPWMMELH-GFCCVEGCSA-N 2 1 295.383 2.596 20 5 CFBDMP C[C@]1(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC[NH2+]C1 ZINC000262130282 291378595 /nfs/dbraw/zinc/37/85/95/291378595.db2.gz YAVLMTQJBAQZMU-INIZCTEOSA-N 2 1 289.379 2.559 20 5 CFBDMP C[C@]1(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC[NH2+]C1 ZINC000262130282 291378600 /nfs/dbraw/zinc/37/86/00/291378600.db2.gz YAVLMTQJBAQZMU-INIZCTEOSA-N 2 1 289.379 2.559 20 5 CFBDMP CC[C@@H]([NH2+]CCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000037010474 372627743 /nfs/dbraw/zinc/62/77/43/372627743.db2.gz OBFSDLJOPVXFHT-CQSZACIVSA-N 2 1 265.357 2.587 20 5 CFBDMP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000037644166 372680565 /nfs/dbraw/zinc/68/05/65/372680565.db2.gz BXRCZWCDZJGMDY-XJKSGUPXSA-N 2 1 291.395 2.977 20 5 CFBDMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc([N+](=O)[O-])c1 ZINC000037775564 372705390 /nfs/dbraw/zinc/70/53/90/372705390.db2.gz XIOFQMLENAZKIA-JZIBPQBNSA-N 2 1 289.379 2.871 20 5 CFBDMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc([N+](=O)[O-])c1 ZINC000037775564 372705400 /nfs/dbraw/zinc/70/54/00/372705400.db2.gz XIOFQMLENAZKIA-JZIBPQBNSA-N 2 1 289.379 2.871 20 5 CFBDMP O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000093453045 375243768 /nfs/dbraw/zinc/24/37/68/375243768.db2.gz DFIPQBYLHAEDFU-SOUVJXGZSA-N 2 1 289.379 2.605 20 5 CFBDMP Cc1c(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)cccc1[N+](=O)[O-] ZINC000128482375 377340898 /nfs/dbraw/zinc/34/08/98/377340898.db2.gz UKIKTYNNFCPQDO-AWEZNQCLSA-N 2 1 279.384 2.708 20 5 CFBDMP Cc1c(C[N@H+](C)CC[C@H]([NH3+])C(C)C)cccc1[N+](=O)[O-] ZINC000128482375 377340907 /nfs/dbraw/zinc/34/09/07/377340907.db2.gz UKIKTYNNFCPQDO-AWEZNQCLSA-N 2 1 279.384 2.708 20 5 CFBDMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC[NH2+]1 ZINC000332309375 378745672 /nfs/dbraw/zinc/74/56/72/378745672.db2.gz OXBGGBMIIFJNCL-KFNAQCHYSA-N 2 1 289.379 2.702 20 5 CFBDMP Cc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000347166593 380980531 /nfs/dbraw/zinc/98/05/31/380980531.db2.gz KDMMPXBLJZSFEV-YIONKMFJSA-N 2 1 289.379 2.618 20 5 CFBDMP Cc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000347166593 380980536 /nfs/dbraw/zinc/98/05/36/380980536.db2.gz KDMMPXBLJZSFEV-YIONKMFJSA-N 2 1 289.379 2.618 20 5 CFBDMP CC(C)c1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000414966283 381662502 /nfs/dbraw/zinc/66/25/02/381662502.db2.gz WCWIJKXBXBZFGR-SWLSCSKDSA-N 2 1 291.395 2.806 20 5 CFBDMP [NH3+]C[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000415071569 381755608 /nfs/dbraw/zinc/75/56/08/381755608.db2.gz WOYFIDXKKMJZMF-BOSPYUDASA-N 2 1 289.379 2.715 20 5 CFBDMP Cc1ccc([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000344293789 382256730 /nfs/dbraw/zinc/25/67/30/382256730.db2.gz RBTXMDUEIUPCBL-ZDUSSCGKSA-N 2 1 289.379 2.816 20 5 CFBDMP CC(C)[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccc([N+](=O)[O-])cc1 ZINC000420297759 382349665 /nfs/dbraw/zinc/34/96/65/382349665.db2.gz DLQRSNURDCAYKR-AWEZNQCLSA-N 2 1 291.395 2.805 20 5 CFBDMP O=[N+]([O-])c1ccccc1C[N@@H+](CC[C@@H]1CC[NH2+]C1)C1CC1 ZINC000420356250 382380869 /nfs/dbraw/zinc/38/08/69/382380869.db2.gz GJMKDQXMKSBTTO-ZDUSSCGKSA-N 2 1 289.379 2.559 20 5 CFBDMP C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC(C)(C)C[NH3+] ZINC000346693910 382477456 /nfs/dbraw/zinc/47/74/56/382477456.db2.gz QNAYBJHSTOZEKJ-SOFGYWHQSA-N 2 1 277.368 2.525 20 5 CFBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C1CC([NH+](C)C)C1 ZINC000520428332 383256024 /nfs/dbraw/zinc/25/60/24/383256024.db2.gz QYVJFNQCPPXVPA-KPKJPENVSA-N 2 1 289.379 2.680 20 5 CFBDMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000268914580 132087520 /nfs/dbraw/zinc/08/75/20/132087520.db2.gz ZXADLRVDEXJJBD-GFCCVEGCSA-N 2 1 288.351 2.841 20 5 CFBDMP Cc1c([C@H](C)[NH2+][C@@H](C)CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000269070633 132107774 /nfs/dbraw/zinc/10/77/74/132107774.db2.gz ZXXARTKZAGRDHM-AAEUAGOBSA-N 2 1 279.384 2.894 20 5 CFBDMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000423526030 394290436 /nfs/dbraw/zinc/29/04/36/394290436.db2.gz KWVCUKXMQUWPKQ-NHYWBVRUSA-N 2 1 277.368 2.763 20 5 CFBDMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000422917288 533676301 /nfs/dbraw/zinc/67/63/01/533676301.db2.gz FVSXOXWOMYVFRY-XJKSGUPXSA-N 2 1 291.395 2.505 20 5 CFBDMP Cc1c(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000045134945 175312806 /nfs/dbraw/zinc/31/28/06/175312806.db2.gz JINJZTJNEQUVMU-CQSZACIVSA-N 2 1 291.395 2.723 20 5 CFBDMP Cc1c(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000045134945 175312808 /nfs/dbraw/zinc/31/28/08/175312808.db2.gz JINJZTJNEQUVMU-CQSZACIVSA-N 2 1 291.395 2.723 20 5 CFBDMP Cc1c(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000045134944 175312892 /nfs/dbraw/zinc/31/28/92/175312892.db2.gz JINJZTJNEQUVMU-AWEZNQCLSA-N 2 1 291.395 2.723 20 5 CFBDMP Cc1c(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000045134944 175312894 /nfs/dbraw/zinc/31/28/94/175312894.db2.gz JINJZTJNEQUVMU-AWEZNQCLSA-N 2 1 291.395 2.723 20 5 CFBDMP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000314656478 265174251 /nfs/dbraw/zinc/17/42/51/265174251.db2.gz BCEPCHSSILQAIF-AEGPPILISA-N 2 1 289.379 2.587 20 5 CFBDMP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037176950 276097804 /nfs/dbraw/zinc/09/78/04/276097804.db2.gz ILZWUDOPCOXUFT-CYBMUJFWSA-N 2 1 279.384 2.977 20 5 CFBDMP CC(C)c1ccc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000346649164 278037024 /nfs/dbraw/zinc/03/70/24/278037024.db2.gz GMRSUUJQTMHIQS-JSGCOSHPSA-N 2 1 291.395 2.887 20 5 CFBDMP CC(C)c1ccc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000346649164 278037025 /nfs/dbraw/zinc/03/70/25/278037025.db2.gz GMRSUUJQTMHIQS-JSGCOSHPSA-N 2 1 291.395 2.887 20 5 CFBDMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000037648976 278354747 /nfs/dbraw/zinc/35/47/47/278354747.db2.gz WGFMZHYTQZWONB-CHWSQXEVSA-N 2 1 289.379 2.730 20 5 CFBDMP CC[NH+](CC)[C@@H](C)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449077624 279145487 /nfs/dbraw/zinc/14/54/87/279145487.db2.gz WESYGENVIZCDQA-KBPBESRZSA-N 2 1 293.411 2.846 20 5 CFBDMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000424337867 290005783 /nfs/dbraw/zinc/00/57/83/290005783.db2.gz SLKWCAHVEXCSOE-ZLKJLUDKSA-N 2 1 263.341 2.515 20 5 CFBDMP CC[N@@H+]1CCC[C@H]1CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000581834489 325152462 /nfs/dbraw/zinc/15/24/62/325152462.db2.gz QJSIYCCKNGBYBI-WFASDCNBSA-N 2 1 289.379 2.656 20 5 CFBDMP CC[N@H+]1CCC[C@H]1CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000581834489 325152467 /nfs/dbraw/zinc/15/24/67/325152467.db2.gz QJSIYCCKNGBYBI-WFASDCNBSA-N 2 1 289.379 2.656 20 5 CFBDMP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cccc([N+](=O)[O-])c2)C1 ZINC000269139028 536473530 /nfs/dbraw/zinc/47/35/30/536473530.db2.gz ZOYOCFXJGBJNTM-GOEBONIOSA-N 2 1 289.379 2.511 20 5 CFBDMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cccc([N+](=O)[O-])c2)C1 ZINC000269139028 536473533 /nfs/dbraw/zinc/47/35/33/536473533.db2.gz ZOYOCFXJGBJNTM-GOEBONIOSA-N 2 1 289.379 2.511 20 5 CFBDMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2)C1 ZINC000269139028 536473534 /nfs/dbraw/zinc/47/35/34/536473534.db2.gz ZOYOCFXJGBJNTM-GOEBONIOSA-N 2 1 289.379 2.511 20 5 CFBDMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cccc([N+](=O)[O-])c2)C1 ZINC000269139028 536473536 /nfs/dbraw/zinc/47/35/36/536473536.db2.gz ZOYOCFXJGBJNTM-GOEBONIOSA-N 2 1 289.379 2.511 20 5 CFBDMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423265338 528519557 /nfs/dbraw/zinc/51/95/57/528519557.db2.gz QUERPOLDCDTCNP-CZUORRHYSA-N 2 1 291.395 2.935 20 5 CFBDMP Cc1c(C[N@@H+](C)CC2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000104086546 618972914 /nfs/dbraw/zinc/97/29/14/618972914.db2.gz WTSFBLOQSKLLDD-UHFFFAOYSA-N 2 1 291.395 2.677 20 5 CFBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000093861253 619062800 /nfs/dbraw/zinc/06/28/00/619062800.db2.gz FHUHEXOWOAAUFO-LLVKDONJSA-N 2 1 265.357 2.573 20 5 CFBDMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000841031789 620258505 /nfs/dbraw/zinc/25/85/05/620258505.db2.gz XXVWZZVTOVPCNU-HZMBPMFUSA-N 2 1 297.786 2.855 20 5 CFBDMP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000903988030 621499469 /nfs/dbraw/zinc/49/94/69/621499469.db2.gz MSBCVIYAKMJYLS-SGMGOOAPSA-N 2 1 277.368 2.776 20 5 CFBDMP CC(C)c1ccc(C[N@H+]2CC[C@H](CC[NH3+])C2)cc1[N+](=O)[O-] ZINC000904411302 621592510 /nfs/dbraw/zinc/59/25/10/621592510.db2.gz UIBPIGZMDMGENK-ZDUSSCGKSA-N 2 1 291.395 2.889 20 5 CFBDMP Cc1c(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000062071722 623247430 /nfs/dbraw/zinc/24/74/30/623247430.db2.gz VKYHRMWOMJAQMO-CYBMUJFWSA-N 2 1 291.395 2.725 20 5 CFBDMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000070171165 625278881 /nfs/dbraw/zinc/27/88/81/625278881.db2.gz PKGODBUSCRUNMU-NSHDSACASA-N 2 1 297.786 2.809 20 5 CFBDMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000817906727 632729359 /nfs/dbraw/zinc/72/93/59/632729359.db2.gz DFXFJYGZDKXFRD-YGRLFVJLSA-N 2 1 297.786 2.726 20 5 CFBDMP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000853247405 634950039 /nfs/dbraw/zinc/95/00/39/634950039.db2.gz OKPJYCGXHKEKRI-CYBMUJFWSA-N 2 1 285.775 2.711 20 5 CFBDMP Cc1c(C[NH2+]CCC[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000873009271 641983491 /nfs/dbraw/zinc/98/34/91/641983491.db2.gz IOTJEERPLMETJI-UHFFFAOYSA-N 2 1 291.395 2.869 20 5 CFBDMP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931438077 649427625 /nfs/dbraw/zinc/42/76/25/649427625.db2.gz ZGCYQHBMHGCFGE-MELADBBJSA-N 2 1 289.379 2.539 20 5 CFBDMP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931438077 649427628 /nfs/dbraw/zinc/42/76/28/649427628.db2.gz ZGCYQHBMHGCFGE-MELADBBJSA-N 2 1 289.379 2.539 20 5 CFBDMP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931438077 649427631 /nfs/dbraw/zinc/42/76/31/649427631.db2.gz ZGCYQHBMHGCFGE-MELADBBJSA-N 2 1 289.379 2.539 20 5 CFBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931438076 649427813 /nfs/dbraw/zinc/42/78/13/649427813.db2.gz ZGCYQHBMHGCFGE-HZSPNIEDSA-N 2 1 289.379 2.539 20 5 CFBDMP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931438076 649427814 /nfs/dbraw/zinc/42/78/14/649427814.db2.gz ZGCYQHBMHGCFGE-HZSPNIEDSA-N 2 1 289.379 2.539 20 5 CFBDMP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931438076 649427815 /nfs/dbraw/zinc/42/78/15/649427815.db2.gz ZGCYQHBMHGCFGE-HZSPNIEDSA-N 2 1 289.379 2.539 20 5 CFBDMP C[C@@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000130220768 779165134 /nfs/dbraw/zinc/16/51/34/779165134.db2.gz PYEAFUUMGYGPRW-XNRPHZJLSA-N 2 1 289.379 2.872 20 5 CFBDMP C[C@@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000130220768 779165139 /nfs/dbraw/zinc/16/51/39/779165139.db2.gz PYEAFUUMGYGPRW-XNRPHZJLSA-N 2 1 289.379 2.872 20 5 CFBDMP CC[C@@H]1C[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000251767283 348293903 /nfs/dbraw/zinc/29/39/03/348293903.db2.gz MGFFCLKHGFGCJD-BZPMIXESSA-N 2 1 277.368 2.715 20 5 CFBDMP CC[C@@H]1C[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000251767283 348293906 /nfs/dbraw/zinc/29/39/06/348293906.db2.gz MGFFCLKHGFGCJD-BZPMIXESSA-N 2 1 277.368 2.715 20 5 CFBDMP C[C@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000404314092 348590651 /nfs/dbraw/zinc/59/06/51/348590651.db2.gz AFADDNVFJLPFQQ-GXTWGEPZSA-N 2 1 277.368 2.544 20 5 CFBDMP C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000591582664 349032696 /nfs/dbraw/zinc/03/26/96/349032696.db2.gz SRBHKPSBYIQQBI-OCCSQVGLSA-N 2 1 289.379 2.920 20 5 CFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000592424298 349118417 /nfs/dbraw/zinc/11/84/17/349118417.db2.gz BTABJUWOQHHNLR-UHFFFAOYSA-N 2 1 289.379 2.620 20 5 CFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000592424298 349118419 /nfs/dbraw/zinc/11/84/19/349118419.db2.gz BTABJUWOQHHNLR-UHFFFAOYSA-N 2 1 289.379 2.620 20 5 CFBDMP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000599071828 350370721 /nfs/dbraw/zinc/37/07/21/350370721.db2.gz UKTBSNGFTDWCMY-ZIAGYGMSSA-N 2 1 291.395 2.977 20 5 CFBDMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000599071828 350370724 /nfs/dbraw/zinc/37/07/24/350370724.db2.gz UKTBSNGFTDWCMY-ZIAGYGMSSA-N 2 1 291.395 2.977 20 5 CFBDMP CC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000271818876 191346762 /nfs/dbraw/zinc/34/67/62/191346762.db2.gz BWVIYMZICNSBJB-INIZCTEOSA-N 2 1 289.379 2.897 20 5 CFBDMP CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1C)[C@@H]1CCC[NH2+]CC1 ZINC000435394667 240312374 /nfs/dbraw/zinc/31/23/74/240312374.db2.gz ONFCHPQFHMKNDP-OAHLLOKOSA-N 2 1 291.395 2.867 20 5 CFBDMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000020047887 372222467 /nfs/dbraw/zinc/22/24/67/372222467.db2.gz FBGQQIWDLQPWMF-AWEZNQCLSA-N 2 1 291.395 2.949 20 5 CFBDMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000020047887 372222485 /nfs/dbraw/zinc/22/24/85/372222485.db2.gz FBGQQIWDLQPWMF-AWEZNQCLSA-N 2 1 291.395 2.949 20 5 CFBDMP Cc1ccc(C[NH2+]C2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000034996610 372527742 /nfs/dbraw/zinc/52/77/42/372527742.db2.gz UESMXSXZFDRBED-UHFFFAOYSA-N 2 1 291.395 2.866 20 5 CFBDMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000037649074 372684844 /nfs/dbraw/zinc/68/48/44/372684844.db2.gz RLMAZQJYXUPRKH-OLZOCXBDSA-N 2 1 289.379 2.730 20 5 CFBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070169611 374135075 /nfs/dbraw/zinc/13/50/75/374135075.db2.gz OJFWLZPPMOBLJS-CHWSQXEVSA-N 2 1 277.368 2.717 20 5 CFBDMP Cc1c(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cccc1[N+](=O)[O-] ZINC000118842802 376319506 /nfs/dbraw/zinc/31/95/06/376319506.db2.gz APRBRPUQRMJUGH-AWEZNQCLSA-N 2 1 291.395 2.677 20 5 CFBDMP Cc1c(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cccc1[N+](=O)[O-] ZINC000118842802 376319509 /nfs/dbraw/zinc/31/95/09/376319509.db2.gz APRBRPUQRMJUGH-AWEZNQCLSA-N 2 1 291.395 2.677 20 5 CFBDMP Cc1c(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000118842802 376319515 /nfs/dbraw/zinc/31/95/15/376319515.db2.gz APRBRPUQRMJUGH-AWEZNQCLSA-N 2 1 291.395 2.677 20 5 CFBDMP Cc1c(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000118842802 376319520 /nfs/dbraw/zinc/31/95/20/376319520.db2.gz APRBRPUQRMJUGH-AWEZNQCLSA-N 2 1 291.395 2.677 20 5 CFBDMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000128493149 377341915 /nfs/dbraw/zinc/34/19/15/377341915.db2.gz PROVUIDREKXPSV-SWLSCSKDSA-N 2 1 279.384 2.961 20 5 CFBDMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000151131701 378299507 /nfs/dbraw/zinc/29/95/07/378299507.db2.gz UAJUJUSFPDRRTM-UONOGXRCSA-N 2 1 291.395 2.977 20 5 CFBDMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000151131701 378299516 /nfs/dbraw/zinc/29/95/16/378299516.db2.gz UAJUJUSFPDRRTM-UONOGXRCSA-N 2 1 291.395 2.977 20 5 CFBDMP O=[N+]([O-])c1cccc(CN2CCC(c3c[nH]cn3)CC2)c1 ZINC000360024420 381735406 /nfs/dbraw/zinc/73/54/06/381735406.db2.gz VKYQAWVYMOSNDZ-UHFFFAOYSA-N 2 1 286.335 2.698 20 5 CFBDMP CC(C)(C)[C@@H](C[NH3+])[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000415051423 381736526 /nfs/dbraw/zinc/73/65/26/381736526.db2.gz JSMOFJSKHNMAKV-IQCBXXCUSA-N 2 1 277.368 2.571 20 5 CFBDMP O=[N+]([O-])c1cccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415056557 381742456 /nfs/dbraw/zinc/74/24/56/381742456.db2.gz SHCYEQQSUCIJNF-ZBFHGGJFSA-N 2 1 289.379 2.559 20 5 CFBDMP O=[N+]([O-])c1cccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415056557 381742462 /nfs/dbraw/zinc/74/24/62/381742462.db2.gz SHCYEQQSUCIJNF-ZBFHGGJFSA-N 2 1 289.379 2.559 20 5 CFBDMP Cc1c([C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000293282471 382062541 /nfs/dbraw/zinc/06/25/41/382062541.db2.gz CWDCFQCRMYEDRN-DGCLKSJQSA-N 2 1 279.384 2.752 20 5 CFBDMP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000420267878 382338812 /nfs/dbraw/zinc/33/88/12/382338812.db2.gz GFHXMLVOHQIYRW-KBPBESRZSA-N 2 1 291.395 2.896 20 5 CFBDMP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000420267878 382338815 /nfs/dbraw/zinc/33/88/15/382338815.db2.gz GFHXMLVOHQIYRW-KBPBESRZSA-N 2 1 291.395 2.896 20 5 CFBDMP [NH3+]CC[C@H]1CCCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000352526638 382381378 /nfs/dbraw/zinc/38/13/78/382381378.db2.gz QAYGPIZLMKFLLN-ZQMJAJRESA-N 2 1 289.379 2.811 20 5 CFBDMP [NH3+]CC[C@H]1CCCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000352526638 382381387 /nfs/dbraw/zinc/38/13/87/382381387.db2.gz QAYGPIZLMKFLLN-ZQMJAJRESA-N 2 1 289.379 2.811 20 5 CFBDMP O=[N+]([O-])c1ccccc1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420413379 382402895 /nfs/dbraw/zinc/40/28/95/382402895.db2.gz ZXIIDDWCNYCWPT-DZGCQCFKSA-N 2 1 289.379 2.559 20 5 CFBDMP O=[N+]([O-])c1ccccc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420413379 382402898 /nfs/dbraw/zinc/40/28/98/382402898.db2.gz ZXIIDDWCNYCWPT-DZGCQCFKSA-N 2 1 289.379 2.559 20 5 CFBDMP C[C@]1(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CC[NH2+]C1 ZINC000262005500 383593465 /nfs/dbraw/zinc/59/34/65/383593465.db2.gz LUQJJMGCKZBBPK-INIZCTEOSA-N 2 1 289.379 2.559 20 5 CFBDMP C[C@]1(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CC[NH2+]C1 ZINC000262005500 383593468 /nfs/dbraw/zinc/59/34/68/383593468.db2.gz LUQJJMGCKZBBPK-INIZCTEOSA-N 2 1 289.379 2.559 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C ZINC000531962930 383949096 /nfs/dbraw/zinc/94/90/96/383949096.db2.gz JJFFEGVGUAQAIC-QWHCGFSZSA-N 2 1 279.384 2.894 20 5 CFBDMP O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415038591 285112019 /nfs/dbraw/zinc/11/20/19/285112019.db2.gz HZUJLDVNDULHDI-ZBFHGGJFSA-N 2 1 289.379 2.559 20 5 CFBDMP O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415038591 285112021 /nfs/dbraw/zinc/11/20/21/285112021.db2.gz HZUJLDVNDULHDI-ZBFHGGJFSA-N 2 1 289.379 2.559 20 5 CFBDMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000130220986 394105597 /nfs/dbraw/zinc/10/55/97/394105597.db2.gz PYEAFUUMGYGPRW-DUVNUKRYSA-N 2 1 289.379 2.872 20 5 CFBDMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000130220986 394105599 /nfs/dbraw/zinc/10/55/99/394105599.db2.gz PYEAFUUMGYGPRW-DUVNUKRYSA-N 2 1 289.379 2.872 20 5 CFBDMP C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC[C@@H]1CCC[NH+]1C ZINC000285399540 196272030 /nfs/dbraw/zinc/27/20/30/196272030.db2.gz TVXXNGXQCBHFQF-HNNXBMFYSA-N 2 1 291.395 2.553 20 5 CFBDMP C[N@H+](CCc1ccccc1[N+](=O)[O-])CC[C@@H]1CCC[NH+]1C ZINC000285399540 196272032 /nfs/dbraw/zinc/27/20/32/196272032.db2.gz TVXXNGXQCBHFQF-HNNXBMFYSA-N 2 1 291.395 2.553 20 5 CFBDMP C[NH+](CCc1ccccc1[N+](=O)[O-])CC[C@@H]1CCC[N@@H+]1C ZINC000285399540 196272033 /nfs/dbraw/zinc/27/20/33/196272033.db2.gz TVXXNGXQCBHFQF-HNNXBMFYSA-N 2 1 291.395 2.553 20 5 CFBDMP C[NH+](CCc1ccccc1[N+](=O)[O-])CC[C@@H]1CCC[N@H+]1C ZINC000285399540 196272035 /nfs/dbraw/zinc/27/20/35/196272035.db2.gz TVXXNGXQCBHFQF-HNNXBMFYSA-N 2 1 291.395 2.553 20 5 CFBDMP Cc1c([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])cccc1[N+](=O)[O-] ZINC000424372846 281227612 /nfs/dbraw/zinc/22/76/12/281227612.db2.gz IRDVKFNRARXOOG-MRVWCRGKSA-N 2 1 277.368 2.824 20 5 CFBDMP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000566242812 290361443 /nfs/dbraw/zinc/36/14/43/290361443.db2.gz KZOYDHSLVQJJRM-BBRMVZONSA-N 2 1 289.379 2.731 20 5 CFBDMP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000566242812 290361446 /nfs/dbraw/zinc/36/14/46/290361446.db2.gz KZOYDHSLVQJJRM-BBRMVZONSA-N 2 1 289.379 2.731 20 5 CFBDMP CC[NH+](CC)CCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000567405937 290461601 /nfs/dbraw/zinc/46/16/01/290461601.db2.gz AUHJLVRDDIWEJZ-HNNXBMFYSA-N 2 1 291.395 2.904 20 5 CFBDMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000163262073 322374524 /nfs/dbraw/zinc/37/45/24/322374524.db2.gz WIFGKLLJUUZTRC-KBPBESRZSA-N 2 1 291.395 2.896 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C ZINC000582115270 325177093 /nfs/dbraw/zinc/17/70/93/325177093.db2.gz GUCKYNGRUCYFPA-YPMHNXCESA-N 2 1 279.384 2.752 20 5 CFBDMP CC[NH2+]CCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000582719803 325228292 /nfs/dbraw/zinc/22/82/92/325228292.db2.gz QFSCEZMDRDXSHP-OAHLLOKOSA-N 2 1 277.368 2.561 20 5 CFBDMP CCC[NH+]1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000049555396 519846764 /nfs/dbraw/zinc/84/67/64/519846764.db2.gz VAOTUSAPGLEOOS-UHFFFAOYSA-N 2 1 291.395 2.867 20 5 CFBDMP CC[C@H]([NH2+][C@H](C)CC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000049553780 522732272 /nfs/dbraw/zinc/73/22/72/522732272.db2.gz SQGNKSXFXSSMNP-DOMZBBRYSA-N 2 1 279.384 2.976 20 5 CFBDMP Cc1ccc([C@H](C)[NH2+][C@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000049553666 525940926 /nfs/dbraw/zinc/94/09/26/525940926.db2.gz STSSAUKYOCBMDB-OLZOCXBDSA-N 2 1 279.384 2.894 20 5 CFBDMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423265339 528310256 /nfs/dbraw/zinc/31/02/56/528310256.db2.gz QUERPOLDCDTCNP-XJKSGUPXSA-N 2 1 291.395 2.935 20 5 CFBDMP C[C@@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)c1ccccc1[N+](=O)[O-] ZINC000925730146 619031603 /nfs/dbraw/zinc/03/16/03/619031603.db2.gz NWVZRTIZEUTHRR-DDTOSNHZSA-N 2 1 275.352 2.515 20 5 CFBDMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000842471751 631639182 /nfs/dbraw/zinc/63/91/82/631639182.db2.gz XDWHILKCTKPDFL-NSHDSACASA-N 2 1 297.786 2.680 20 5 CFBDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1OCC[N+](C)(C)C ZINC001224776497 775271131 /nfs/dbraw/zinc/27/11/31/775271131.db2.gz WKZJBSWJGAMICF-SJLPKXTDSA-N 2 1 291.459 2.620 20 5 CFBDMP Cc1c(C[N@@H+](C)CCCCCC[NH3+])cccc1[N+](=O)[O-] ZINC000710843787 781341853 /nfs/dbraw/zinc/34/18/53/781341853.db2.gz ZBIQALWTZBZMAE-UHFFFAOYSA-N 2 1 279.384 2.854 20 5 CFBDMP Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000295066095 199327400 /nfs/dbraw/zinc/32/74/00/199327400.db2.gz QOOGBFVLTASEOO-GOOCMWNKSA-N 2 1 289.379 2.618 20 5 CFBDMP Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000295066095 199327402 /nfs/dbraw/zinc/32/74/02/199327402.db2.gz QOOGBFVLTASEOO-GOOCMWNKSA-N 2 1 289.379 2.618 20 5 CFBDMP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC000414808539 233359878 /nfs/dbraw/zinc/35/98/78/233359878.db2.gz KXJUFTLASXOIGN-SNVBAGLBSA-N 2 1 291.376 2.966 20 5 CFBDMP Cc1ccc(C[NH2+][C@H](C[NH3+])C2CCCCC2)cc1[N+](=O)[O-] ZINC000414832829 233372149 /nfs/dbraw/zinc/37/21/49/233372149.db2.gz DYOVMLVGKUTRTN-OAHLLOKOSA-N 2 1 291.395 2.900 20 5 CFBDMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000600678451 350596683 /nfs/dbraw/zinc/59/66/83/350596683.db2.gz PWJILAFESWVCQM-VHDGCEQUSA-N 2 1 291.395 2.646 20 5 CFBDMP Cc1[nH+]ccn1CC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292094699 198160889 /nfs/dbraw/zinc/16/08/89/198160889.db2.gz HESKEBAIRLZMCA-UHFFFAOYSA-N 2 1 288.351 2.625 20 5 CFBDMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000158667048 188388471 /nfs/dbraw/zinc/38/84/71/188388471.db2.gz QIBUIMJEOOLHOI-ZFWWWQNUSA-N 2 1 289.379 2.511 20 5 CFBDMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000158667048 188388472 /nfs/dbraw/zinc/38/84/72/188388472.db2.gz QIBUIMJEOOLHOI-ZFWWWQNUSA-N 2 1 289.379 2.511 20 5 CFBDMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000158667048 188388474 /nfs/dbraw/zinc/38/84/74/188388474.db2.gz QIBUIMJEOOLHOI-ZFWWWQNUSA-N 2 1 289.379 2.511 20 5 CFBDMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000158667048 188388476 /nfs/dbraw/zinc/38/84/76/188388476.db2.gz QIBUIMJEOOLHOI-ZFWWWQNUSA-N 2 1 289.379 2.511 20 5 CFBDMP Cc1ccc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000459733064 245289664 /nfs/dbraw/zinc/28/96/64/245289664.db2.gz NBUTZTPCSPBULY-CQSZACIVSA-N 2 1 291.395 2.725 20 5 CFBDMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000037644165 372681154 /nfs/dbraw/zinc/68/11/54/372681154.db2.gz BXRCZWCDZJGMDY-BBRMVZONSA-N 2 1 291.395 2.977 20 5 CFBDMP CN(CC[C@H]1CCCC[N@H+]1C)Cc1ccccc1[N+](=O)[O-] ZINC000173961229 379806641 /nfs/dbraw/zinc/80/66/41/379806641.db2.gz WSYYGZRZQNFSCY-OAHLLOKOSA-N 2 1 291.395 2.901 20 5 CFBDMP CC[N@H+]1CC[C@@H](N(C)Cc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000174776310 379937971 /nfs/dbraw/zinc/93/79/71/379937971.db2.gz LAGADGYPMJXLDN-CZUORRHYSA-N 2 1 291.395 2.757 20 5 CFBDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000174776310 379937984 /nfs/dbraw/zinc/93/79/84/379937984.db2.gz LAGADGYPMJXLDN-CZUORRHYSA-N 2 1 291.395 2.757 20 5 CFBDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000174776310 379937987 /nfs/dbraw/zinc/93/79/87/379937987.db2.gz LAGADGYPMJXLDN-CZUORRHYSA-N 2 1 291.395 2.757 20 5 CFBDMP CCC[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000347208506 381004665 /nfs/dbraw/zinc/00/46/65/381004665.db2.gz NJYWQPFGVYJNRF-UHFFFAOYSA-N 2 1 291.395 2.867 20 5 CFBDMP C[C@@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000415128968 381796272 /nfs/dbraw/zinc/79/62/72/381796272.db2.gz OZAVTSLIQZKFES-AVXNYWLKSA-N 2 1 289.379 2.525 20 5 CFBDMP C[C@@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000415128968 381796279 /nfs/dbraw/zinc/79/62/79/381796279.db2.gz OZAVTSLIQZKFES-AVXNYWLKSA-N 2 1 289.379 2.525 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000420290290 382343823 /nfs/dbraw/zinc/34/38/23/382343823.db2.gz LTIODRIFJPECIV-XUJVJEKNSA-N 2 1 277.368 2.633 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000420290290 382343830 /nfs/dbraw/zinc/34/38/30/382343830.db2.gz LTIODRIFJPECIV-XUJVJEKNSA-N 2 1 277.368 2.633 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000420314333 382362957 /nfs/dbraw/zinc/36/29/57/382362957.db2.gz VOZSHEFNIRAPBG-APYUEPQZSA-N 2 1 289.379 2.633 20 5 CFBDMP Cc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000423358702 383062810 /nfs/dbraw/zinc/06/28/10/383062810.db2.gz JTSSAZYWZRRDQY-TZMCWYRMSA-N 2 1 277.368 2.696 20 5 CFBDMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423472281 383109646 /nfs/dbraw/zinc/10/96/46/383109646.db2.gz QBBQURNERWQUEU-PKFCDNJMSA-N 2 1 277.368 2.643 20 5 CFBDMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000251338664 383387074 /nfs/dbraw/zinc/38/70/74/383387074.db2.gz PROVUIDREKXPSV-IUODEOHRSA-N 2 1 279.384 2.961 20 5 CFBDMP Cc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000252674154 383425410 /nfs/dbraw/zinc/42/54/10/383425410.db2.gz PIUJFWSRZSJOKF-GJZGRUSLSA-N 2 1 289.379 2.620 20 5 CFBDMP Cc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000252674154 383425413 /nfs/dbraw/zinc/42/54/13/383425413.db2.gz PIUJFWSRZSJOKF-GJZGRUSLSA-N 2 1 289.379 2.620 20 5 CFBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252840208 383437348 /nfs/dbraw/zinc/43/73/48/383437348.db2.gz BMEZGTGZQZLEAC-PAPYEOQZSA-N 2 1 289.379 2.715 20 5 CFBDMP C[C@@H](CC[NH+](C)C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000572984324 383853471 /nfs/dbraw/zinc/85/34/71/383853471.db2.gz AACBSSRXJKMNJC-SMDDNHRTSA-N 2 1 277.368 2.512 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)CC[NH+](C)C ZINC000531962929 383948165 /nfs/dbraw/zinc/94/81/65/383948165.db2.gz JJFFEGVGUAQAIC-OLZOCXBDSA-N 2 1 279.384 2.894 20 5 CFBDMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000531963649 383948573 /nfs/dbraw/zinc/94/85/73/383948573.db2.gz KKHLDMSDFREJDE-LBPRGKRZSA-N 2 1 288.351 2.759 20 5 CFBDMP Cc1ccc([C@@H](C)[NH2+]CCc2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC000276669593 386009275 /nfs/dbraw/zinc/00/92/75/386009275.db2.gz OYGGGZPJNCHLBM-GFCCVEGCSA-N 2 1 288.351 2.530 20 5 CFBDMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000249376482 131120664 /nfs/dbraw/zinc/12/06/64/131120664.db2.gz KKBHGOHJJUPVDV-CHWSQXEVSA-N 2 1 277.368 2.587 20 5 CFBDMP CC[C@@H]([NH2+]CCC[NH2+]C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000423522006 394289168 /nfs/dbraw/zinc/28/91/68/394289168.db2.gz GYKJVTHAZRDTGE-OAHLLOKOSA-N 2 1 277.368 2.778 20 5 CFBDMP Cc1c([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000158175889 394355112 /nfs/dbraw/zinc/35/51/12/394355112.db2.gz GCAJITAUAGNHOW-KBPBESRZSA-N 2 1 291.395 2.896 20 5 CFBDMP Cc1c([C@@H](C)[NH2+]CCC[NH2+]C(C)C)cccc1[N+](=O)[O-] ZINC000519762641 394377749 /nfs/dbraw/zinc/37/77/49/394377749.db2.gz JIELOEYWCKDSIK-CYBMUJFWSA-N 2 1 279.384 2.942 20 5 CFBDMP O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCC[NH+]1CCCC1 ZINC000520428461 265818212 /nfs/dbraw/zinc/81/82/12/265818212.db2.gz VPVGJBDFTMAQKP-OAHLLOKOSA-N 2 1 289.379 2.658 20 5 CFBDMP CC(C)c1ccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000414966284 276053647 /nfs/dbraw/zinc/05/36/47/276053647.db2.gz WCWIJKXBXBZFGR-WFASDCNBSA-N 2 1 291.395 2.806 20 5 CFBDMP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000414840253 277282542 /nfs/dbraw/zinc/28/25/42/277282542.db2.gz MVYDFFABPSKACY-LBPRGKRZSA-N 2 1 279.384 2.663 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000563153313 290109780 /nfs/dbraw/zinc/10/97/80/290109780.db2.gz RDESFFVHYMBFOU-CHWSQXEVSA-N 2 1 277.368 2.635 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000563153313 290109781 /nfs/dbraw/zinc/10/97/81/290109781.db2.gz RDESFFVHYMBFOU-CHWSQXEVSA-N 2 1 277.368 2.635 20 5 CFBDMP [NH3+]CC[C@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000442920085 534653319 /nfs/dbraw/zinc/65/33/19/534653319.db2.gz GJPDKECVIVANKO-HJHHMULASA-N 2 1 289.379 2.669 20 5 CFBDMP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000049553703 525595146 /nfs/dbraw/zinc/59/51/46/525595146.db2.gz MHQWFQVFEKAPSS-NWDGAFQWSA-N 2 1 265.357 2.586 20 5 CFBDMP CCC[NH2+]CC[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000414867832 528510182 /nfs/dbraw/zinc/51/01/82/528510182.db2.gz JKZGYSSWJQSKKZ-ZDUSSCGKSA-N 2 1 279.384 2.505 20 5 CFBDMP CCC[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000423311287 529011737 /nfs/dbraw/zinc/01/17/37/529011737.db2.gz BRPWEQVEGZSCBC-LSDHHAIUSA-N 2 1 277.368 2.763 20 5 CFBDMP C[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)CC(C)(C)C[NH3+] ZINC000262006474 619366739 /nfs/dbraw/zinc/36/67/39/619366739.db2.gz URJJEZOEQQWZKI-UHFFFAOYSA-N 2 1 285.775 2.665 20 5 CFBDMP C[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)CC(C)(C)C[NH3+] ZINC000262006474 619366742 /nfs/dbraw/zinc/36/67/42/619366742.db2.gz URJJEZOEQQWZKI-UHFFFAOYSA-N 2 1 285.775 2.665 20 5 CFBDMP C[NH+](C)CC(C)(C)C[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000898308077 620370256 /nfs/dbraw/zinc/37/02/56/620370256.db2.gz NDGRSXUMPBTCEP-UHFFFAOYSA-N 2 1 293.411 2.657 20 5 CFBDMP CC[C@H]([NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]1 ZINC000902428951 621076076 /nfs/dbraw/zinc/07/60/76/621076076.db2.gz INPCPBHDCUXOGG-QEJZJMRPSA-N 2 1 291.395 2.819 20 5 CFBDMP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923498729 626477266 /nfs/dbraw/zinc/47/72/66/626477266.db2.gz JJJLHNZVKZBMHE-MBNYWOFBSA-N 2 1 277.368 2.573 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923522687 626478689 /nfs/dbraw/zinc/47/86/89/626478689.db2.gz YQVYWRALKAVFIR-HZSPNIEDSA-N 2 1 289.379 2.506 20 5 CFBDMP C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CCC([NH3+])CC1 ZINC000843055891 631819109 /nfs/dbraw/zinc/81/91/09/631819109.db2.gz RGVHROYBHUZDLS-XQRVVYSFSA-N 2 1 289.379 2.810 20 5 CFBDMP COc1ccc(C[N@@H+](C)CCCCCC[NH3+])cc1[N+](=O)[O-] ZINC000846218656 632664960 /nfs/dbraw/zinc/66/49/60/632664960.db2.gz VCWWPUFRIAUUKU-UHFFFAOYSA-N 2 1 295.383 2.554 20 5 CFBDMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000866704697 638868380 /nfs/dbraw/zinc/86/83/80/638868380.db2.gz WTZDPGJPBOYKQN-MRXNPFEDSA-N 2 1 291.395 2.792 20 5 CFBDMP Cc1c(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000873130250 642022424 /nfs/dbraw/zinc/02/24/24/642022424.db2.gz CFQZDWGINIWTQE-AWEZNQCLSA-N 2 1 291.395 2.725 20 5 CFBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000876730608 642985597 /nfs/dbraw/zinc/98/55/97/642985597.db2.gz HYCGZAHRHDIYPL-CQSZACIVSA-N 2 1 291.395 2.595 20 5 CFBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000876730608 642985604 /nfs/dbraw/zinc/98/56/04/642985604.db2.gz HYCGZAHRHDIYPL-CQSZACIVSA-N 2 1 291.395 2.595 20 5 CFBDMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000925571426 648223015 /nfs/dbraw/zinc/22/30/15/648223015.db2.gz HSZCDYXJKKCLLL-CJNGLKHVSA-N 2 1 291.395 2.648 20 5 CFBDMP [NH3+]C1(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCCC1 ZINC000596647785 349967757 /nfs/dbraw/zinc/96/77/57/349967757.db2.gz BQCZTGCIDCMPQB-HNNXBMFYSA-N 2 1 289.379 2.833 20 5 CFBDMP Cc1ccc([C@@H](C)[NH2+]CCC[NH2+]C(C)C)cc1[N+](=O)[O-] ZINC000591577277 349030961 /nfs/dbraw/zinc/03/09/61/349030961.db2.gz LQRALJWXZITXEZ-CYBMUJFWSA-N 2 1 279.384 2.942 20 5 CFBDMP CC[C@@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592427649 349118397 /nfs/dbraw/zinc/11/83/97/349118397.db2.gz MLGZFDXMHXKGJF-RLWBPUTGSA-N 2 1 289.379 2.667 20 5 CFBDMP CC[C@@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592427649 349118401 /nfs/dbraw/zinc/11/84/01/349118401.db2.gz MLGZFDXMHXKGJF-RLWBPUTGSA-N 2 1 289.379 2.667 20 5 CFBDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000105443327 186057317 /nfs/dbraw/zinc/05/73/17/186057317.db2.gz KQNQQLAEJIUXJW-LBPRGKRZSA-N 2 1 288.351 2.526 20 5 CFBDMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000598962731 350349873 /nfs/dbraw/zinc/34/98/73/350349873.db2.gz IQSZMKXXAHOXNH-AWEZNQCLSA-N 2 1 291.395 2.600 20 5 CFBDMP C[N@H+]1CCCC[C@H](CNCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000598995256 350356534 /nfs/dbraw/zinc/35/65/34/350356534.db2.gz WXJCJQBAYOPOKP-GFCCVEGCSA-N 2 1 295.358 2.555 20 5 CFBDMP Cc1ccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1[N+](=O)[O-] ZINC000092253555 180352795 /nfs/dbraw/zinc/35/27/95/180352795.db2.gz KANGDGJFIHQITL-HNNXBMFYSA-N 2 1 291.395 2.677 20 5 CFBDMP Cc1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1[N+](=O)[O-] ZINC000092253555 180352797 /nfs/dbraw/zinc/35/27/97/180352797.db2.gz KANGDGJFIHQITL-HNNXBMFYSA-N 2 1 291.395 2.677 20 5 CFBDMP Cc1ccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000092253555 180352799 /nfs/dbraw/zinc/35/27/99/180352799.db2.gz KANGDGJFIHQITL-HNNXBMFYSA-N 2 1 291.395 2.677 20 5 CFBDMP Cc1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000092253555 180352800 /nfs/dbraw/zinc/35/28/00/180352800.db2.gz KANGDGJFIHQITL-HNNXBMFYSA-N 2 1 291.395 2.677 20 5 CFBDMP C[C@@H]([NH3+])C1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000110651097 186311292 /nfs/dbraw/zinc/31/12/92/186311292.db2.gz OAOJOKBTSKKCBF-SNVBAGLBSA-N 2 1 297.786 2.807 20 5 CFBDMP C[NH+]1CCC2(CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000602876060 351054939 /nfs/dbraw/zinc/05/49/39/351054939.db2.gz CPMPIVRQNJDIGM-UHFFFAOYSA-N 2 1 289.379 2.513 20 5 CFBDMP CC[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)[C@H]1CCC[NH2+]CC1 ZINC000435379355 240307824 /nfs/dbraw/zinc/30/78/24/240307824.db2.gz BOAJANDLMOVTPC-HNNXBMFYSA-N 2 1 291.395 2.867 20 5 CFBDMP Cc1ccc([C@H](C)[NH2+]CCc2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC000276669595 193421337 /nfs/dbraw/zinc/42/13/37/193421337.db2.gz OYGGGZPJNCHLBM-LBPRGKRZSA-N 2 1 288.351 2.530 20 5 CFBDMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000037644207 372682548 /nfs/dbraw/zinc/68/25/48/372682548.db2.gz KKBHGOHJJUPVDV-QWHCGFSZSA-N 2 1 277.368 2.587 20 5 CFBDMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000093515633 375262227 /nfs/dbraw/zinc/26/22/27/375262227.db2.gz GEINKOBAVNYTNW-DZGCQCFKSA-N 2 1 291.395 2.995 20 5 CFBDMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000093515632 375262545 /nfs/dbraw/zinc/26/25/45/375262545.db2.gz GEINKOBAVNYTNW-ZFWWWQNUSA-N 2 1 291.395 2.995 20 5 CFBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125308545 377140572 /nfs/dbraw/zinc/14/05/72/377140572.db2.gz QTZLMXSNAADVME-JMGFVUJMSA-N 2 1 289.379 2.715 20 5 CFBDMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000136301929 378194247 /nfs/dbraw/zinc/19/42/47/378194247.db2.gz SXAPQATZMUPOCB-UHFFFAOYSA-N 2 1 288.351 2.622 20 5 CFBDMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000136301929 378194249 /nfs/dbraw/zinc/19/42/49/378194249.db2.gz SXAPQATZMUPOCB-UHFFFAOYSA-N 2 1 288.351 2.622 20 5 CFBDMP [NH3+]CCC[N@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000336719537 380610202 /nfs/dbraw/zinc/61/02/02/380610202.db2.gz SVOGLQYPDNDVJA-UHFFFAOYSA-N 2 1 299.374 2.946 20 5 CFBDMP [NH3+]CCC[N@@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000336719537 380610205 /nfs/dbraw/zinc/61/02/05/380610205.db2.gz SVOGLQYPDNDVJA-UHFFFAOYSA-N 2 1 299.374 2.946 20 5 CFBDMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000347234988 381019793 /nfs/dbraw/zinc/01/97/93/381019793.db2.gz ZYYRYDAIHSELJS-NBVGUUKWSA-N 2 1 289.379 2.667 20 5 CFBDMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000347234988 381019799 /nfs/dbraw/zinc/01/97/99/381019799.db2.gz ZYYRYDAIHSELJS-NBVGUUKWSA-N 2 1 289.379 2.667 20 5 CFBDMP CC[NH2+][C@H](C)C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000414957806 381651850 /nfs/dbraw/zinc/65/18/50/381651850.db2.gz OTAGXKGMMHWTHJ-QWHCGFSZSA-N 2 1 279.384 2.504 20 5 CFBDMP Cc1c(C[NH2+][C@H](C[NH3+])C2CCCCC2)cccc1[N+](=O)[O-] ZINC000420355604 382380471 /nfs/dbraw/zinc/38/04/71/382380471.db2.gz CCMZEDZBUXVVFY-OAHLLOKOSA-N 2 1 291.395 2.900 20 5 CFBDMP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000420297214 382348167 /nfs/dbraw/zinc/34/81/67/382348167.db2.gz RDMLFOPZUNHURX-STQMWFEESA-N 2 1 277.368 2.506 20 5 CFBDMP C[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000420297214 382348173 /nfs/dbraw/zinc/34/81/73/382348173.db2.gz RDMLFOPZUNHURX-STQMWFEESA-N 2 1 277.368 2.506 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420406844 382401505 /nfs/dbraw/zinc/40/15/05/382401505.db2.gz OCHNFXOINFPZES-FPMFFAJLSA-N 2 1 291.395 2.881 20 5 CFBDMP O=[N+]([O-])c1ccccc1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420413383 382403024 /nfs/dbraw/zinc/40/30/24/382403024.db2.gz ZXIIDDWCNYCWPT-ZFWWWQNUSA-N 2 1 289.379 2.559 20 5 CFBDMP O=[N+]([O-])c1ccccc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420413383 382403026 /nfs/dbraw/zinc/40/30/26/382403026.db2.gz ZXIIDDWCNYCWPT-ZFWWWQNUSA-N 2 1 289.379 2.559 20 5 CFBDMP CC(C)c1ccc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000346674574 382466877 /nfs/dbraw/zinc/46/68/77/382466877.db2.gz IODOZORSXFHQDS-GXTWGEPZSA-N 2 1 291.395 2.887 20 5 CFBDMP CC(C)c1ccc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000346674574 382466880 /nfs/dbraw/zinc/46/68/80/382466880.db2.gz IODOZORSXFHQDS-GXTWGEPZSA-N 2 1 291.395 2.887 20 5 CFBDMP CC(C)[N@@H+](C)CCCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000219149478 382792438 /nfs/dbraw/zinc/79/24/38/382792438.db2.gz DLWZIFRUMVIULS-CYBMUJFWSA-N 2 1 279.384 2.976 20 5 CFBDMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000219149478 382792439 /nfs/dbraw/zinc/79/24/39/382792439.db2.gz DLWZIFRUMVIULS-CYBMUJFWSA-N 2 1 279.384 2.976 20 5 CFBDMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000219149478 382792440 /nfs/dbraw/zinc/79/24/40/382792440.db2.gz DLWZIFRUMVIULS-CYBMUJFWSA-N 2 1 279.384 2.976 20 5 CFBDMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000226332703 382826941 /nfs/dbraw/zinc/82/69/41/382826941.db2.gz UEVKWQHKJPEGLY-SGMGOOAPSA-N 2 1 277.368 2.715 20 5 CFBDMP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000226332703 382826942 /nfs/dbraw/zinc/82/69/42/382826942.db2.gz UEVKWQHKJPEGLY-SGMGOOAPSA-N 2 1 277.368 2.715 20 5 CFBDMP Cc1c(C[NH2+]C2CC[NH+](C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000231883946 382867521 /nfs/dbraw/zinc/86/75/21/382867521.db2.gz CJPJEDSLTDPBMA-UHFFFAOYSA-N 2 1 291.395 2.866 20 5 CFBDMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449072695 383161659 /nfs/dbraw/zinc/16/16/59/383161659.db2.gz KVNREPHPBFOTOE-CQSZACIVSA-N 2 1 293.411 2.846 20 5 CFBDMP O=[N+]([O-])c1cccc(C[N@@H+](CC2CC[NH2+]CC2)C2CC2)c1 ZINC000094021478 285153482 /nfs/dbraw/zinc/15/34/82/285153482.db2.gz KJZUVUZLEKOXNV-UHFFFAOYSA-N 2 1 289.379 2.559 20 5 CFBDMP CC[C@H]([NH2+]CCn1cc[nH+]c1C)c1cccc([N+](=O)[O-])c1 ZINC000268782897 132065807 /nfs/dbraw/zinc/06/58/07/132065807.db2.gz CRTULGMKFXXWNU-HNNXBMFYSA-N 2 1 288.351 2.841 20 5 CFBDMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000251548304 393932368 /nfs/dbraw/zinc/93/23/68/393932368.db2.gz PYEAFUUMGYGPRW-BJJXKVORSA-N 2 1 289.379 2.872 20 5 CFBDMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000251548304 393932371 /nfs/dbraw/zinc/93/23/71/393932371.db2.gz PYEAFUUMGYGPRW-BJJXKVORSA-N 2 1 289.379 2.872 20 5 CFBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000449171604 394240181 /nfs/dbraw/zinc/24/01/81/394240181.db2.gz LEPMDNGRTWTEBN-IPYPFGDCSA-N 2 1 291.395 2.598 20 5 CFBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000449171604 394240185 /nfs/dbraw/zinc/24/01/85/394240185.db2.gz LEPMDNGRTWTEBN-IPYPFGDCSA-N 2 1 291.395 2.598 20 5 CFBDMP Cc1ccc([C@@H](C)[NH2+]CCC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000423516078 394288551 /nfs/dbraw/zinc/28/85/51/394288551.db2.gz AOTKIOOQUUFSGL-GFCCVEGCSA-N 2 1 277.368 2.696 20 5 CFBDMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000423526029 394290125 /nfs/dbraw/zinc/29/01/25/394290125.db2.gz KWVCUKXMQUWPKQ-IAQYHMDHSA-N 2 1 277.368 2.763 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000540607347 394649784 /nfs/dbraw/zinc/64/97/84/394649784.db2.gz PXIWAGONVRAWJZ-CYBMUJFWSA-N 2 1 289.379 2.816 20 5 CFBDMP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000353408726 163359734 /nfs/dbraw/zinc/35/97/34/163359734.db2.gz VAPGOPZNGMXGHH-DZKIICNBSA-N 2 1 289.379 2.557 20 5 CFBDMP C[NH2+]C[C@H]1CCC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000420267892 277283433 /nfs/dbraw/zinc/28/34/33/277283433.db2.gz GFHXMLVOHQIYRW-ZIAGYGMSSA-N 2 1 291.395 2.896 20 5 CFBDMP C[NH2+]C[C@H]1CCC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000420267892 277283434 /nfs/dbraw/zinc/28/34/34/277283434.db2.gz GFHXMLVOHQIYRW-ZIAGYGMSSA-N 2 1 291.395 2.896 20 5 CFBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000423515947 278298875 /nfs/dbraw/zinc/29/88/75/278298875.db2.gz XRDGWIFGGYHBPJ-SWLSCSKDSA-N 2 1 291.395 2.633 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424290491 281020188 /nfs/dbraw/zinc/02/01/88/281020188.db2.gz MRLIJJKJVXAEOU-KCPJHIHWSA-N 2 1 277.368 2.824 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000420309341 281022817 /nfs/dbraw/zinc/02/28/17/281022817.db2.gz FBPFORNKHHOHKM-SWLSCSKDSA-N 2 1 277.368 2.635 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000420309341 281022819 /nfs/dbraw/zinc/02/28/19/281022819.db2.gz FBPFORNKHHOHKM-SWLSCSKDSA-N 2 1 277.368 2.635 20 5 CFBDMP Cc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000424374712 281227460 /nfs/dbraw/zinc/22/74/60/281227460.db2.gz LOEAKLHIAKLGCB-IACUBPJLSA-N 2 1 277.368 2.824 20 5 CFBDMP CCC[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000423448142 528239339 /nfs/dbraw/zinc/23/93/39/528239339.db2.gz PTTTVXYKVGLYCM-WDMOLILDSA-N 2 1 265.357 2.761 20 5 CFBDMP COc1cc([C@H](C)[NH2+][C@@H](C)CC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000903083490 621246302 /nfs/dbraw/zinc/24/63/02/621246302.db2.gz IAQFTEJFJZXRCX-RYUDHWBXSA-N 2 1 295.383 2.594 20 5 CFBDMP C[C@@H]([NH2+][C@@H](C)C[C@@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000903988029 621499491 /nfs/dbraw/zinc/49/94/91/621499491.db2.gz MSBCVIYAKMJYLS-SCRDCRAPSA-N 2 1 277.368 2.776 20 5 CFBDMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761524167 626842414 /nfs/dbraw/zinc/84/24/14/626842414.db2.gz WNCOBPZRMUFMKS-JTQLQIEISA-N 2 1 285.775 2.678 20 5 CFBDMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000866705174 638868012 /nfs/dbraw/zinc/86/80/12/638868012.db2.gz VCMJSQOOQCKAEC-INIZCTEOSA-N 2 1 291.395 2.792 20 5 CFBDMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000866704269 638868036 /nfs/dbraw/zinc/86/80/36/638868036.db2.gz SGXODXDUYJFRFU-INIZCTEOSA-N 2 1 291.395 2.792 20 5 CFBDMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc([N+](=O)[O-])cc1 ZINC000932177607 649559837 /nfs/dbraw/zinc/55/98/37/649559837.db2.gz CVJCKRNYBFDFRQ-GFCCVEGCSA-N 2 1 288.351 2.612 20 5 CFBDMP C[N+](C)(C)CCO[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC001224775119 775270172 /nfs/dbraw/zinc/27/01/72/775270172.db2.gz IYRXUVCVSYXUPW-INIZCTEOSA-N 2 1 295.422 2.513 20 5 CFBDMP CC[C@H]([NH2+]C[C@@H]([NH3+])C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000423275655 529611235 /nfs/dbraw/zinc/61/12/35/529611235.db2.gz NHMBMWHNAIDZMX-KGLIPLIRSA-N 2 1 265.357 2.619 20 5 CFBDMP C[C@H]([NH2+]CC1([NH3+])CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000596648129 349967812 /nfs/dbraw/zinc/96/78/12/349967812.db2.gz JNXXPHXYCICQDD-NSHDSACASA-N 2 1 263.341 2.517 20 5 CFBDMP C[NH+](C)C1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000160916487 348022190 /nfs/dbraw/zinc/02/21/90/348022190.db2.gz RFNOJHHOGCGWFC-UHFFFAOYSA-N 2 1 291.395 2.601 20 5 CFBDMP CC[C@@H]1C[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000251798631 348293701 /nfs/dbraw/zinc/29/37/01/348293701.db2.gz NYTGZHXDQPRIBR-LALPHHSUSA-N 2 1 277.368 2.715 20 5 CFBDMP CC[C@@H]1C[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000251798631 348293704 /nfs/dbraw/zinc/29/37/04/348293704.db2.gz NYTGZHXDQPRIBR-LALPHHSUSA-N 2 1 277.368 2.715 20 5 CFBDMP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000592489162 349128361 /nfs/dbraw/zinc/12/83/61/349128361.db2.gz ISFCZMXBOWDXFS-XJKSGUPXSA-N 2 1 289.379 2.731 20 5 CFBDMP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000592489162 349128364 /nfs/dbraw/zinc/12/83/64/349128364.db2.gz ISFCZMXBOWDXFS-XJKSGUPXSA-N 2 1 289.379 2.731 20 5 CFBDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000105443338 186058202 /nfs/dbraw/zinc/05/82/02/186058202.db2.gz UPFSTOKFJVMPHD-LBPRGKRZSA-N 2 1 288.351 2.526 20 5 CFBDMP C[C@@H]1C[C@H]([NH+](C)CCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000123736837 187106653 /nfs/dbraw/zinc/10/66/53/187106653.db2.gz DRXJWZCTNPVZAK-CZUORRHYSA-N 2 1 291.395 2.552 20 5 CFBDMP C[C@@H]1C[C@H]([NH+](C)CCc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000123736837 187106654 /nfs/dbraw/zinc/10/66/54/187106654.db2.gz DRXJWZCTNPVZAK-CZUORRHYSA-N 2 1 291.395 2.552 20 5 CFBDMP C[C@@H]1C[C@H]([N@H+](C)CCc2ccc([N+](=O)[O-])cc2)CC[NH+]1C ZINC000123736837 187106655 /nfs/dbraw/zinc/10/66/55/187106655.db2.gz DRXJWZCTNPVZAK-CZUORRHYSA-N 2 1 291.395 2.552 20 5 CFBDMP C[C@@H]1C[C@H]([N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)CC[NH+]1C ZINC000123736837 187106656 /nfs/dbraw/zinc/10/66/56/187106656.db2.gz DRXJWZCTNPVZAK-CZUORRHYSA-N 2 1 291.395 2.552 20 5 CFBDMP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000020129216 296122546 /nfs/dbraw/zinc/12/25/46/296122546.db2.gz AZPQFZACXHLFAD-CYBMUJFWSA-N 2 1 277.368 2.731 20 5 CFBDMP CC[C@H]([NH2+]C1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000037266984 372661740 /nfs/dbraw/zinc/66/17/40/372661740.db2.gz MRJINEIMAKKEOR-HNNXBMFYSA-N 2 1 277.368 2.730 20 5 CFBDMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000037644299 372680301 /nfs/dbraw/zinc/68/03/01/372680301.db2.gz UAIZWNOYVZCUQP-QWHCGFSZSA-N 2 1 277.368 2.587 20 5 CFBDMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000037644219 372682409 /nfs/dbraw/zinc/68/24/09/372682409.db2.gz ADUDLOGLTKLQOT-UONOGXRCSA-N 2 1 291.395 2.896 20 5 CFBDMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000128473836 377340278 /nfs/dbraw/zinc/34/02/78/377340278.db2.gz KJTLKXGJKUQJKC-GXTWGEPZSA-N 2 1 279.384 2.961 20 5 CFBDMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000128473836 377340285 /nfs/dbraw/zinc/34/02/85/377340285.db2.gz KJTLKXGJKUQJKC-GXTWGEPZSA-N 2 1 279.384 2.961 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC[NH+](C)C ZINC000151931386 378374253 /nfs/dbraw/zinc/37/42/53/378374253.db2.gz BJXAMMRHZVWLNJ-LBPRGKRZSA-N 2 1 265.357 2.506 20 5 CFBDMP CC[C@@H]([NH2+]C[C@@H](C)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000293361099 382093558 /nfs/dbraw/zinc/09/35/58/382093558.db2.gz HKECBIQTIXBIFR-IUODEOHRSA-N 2 1 279.384 2.833 20 5 CFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000346673524 382465000 /nfs/dbraw/zinc/46/50/00/382465000.db2.gz IAMLOLVUOBEXLR-OAHLLOKOSA-N 2 1 279.384 2.708 20 5 CFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000346673524 382465005 /nfs/dbraw/zinc/46/50/05/382465005.db2.gz IAMLOLVUOBEXLR-OAHLLOKOSA-N 2 1 279.384 2.708 20 5 CFBDMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000346693380 382478499 /nfs/dbraw/zinc/47/84/99/382478499.db2.gz MRZAASLRAXXNNB-VFADXPBXSA-N 2 1 291.395 2.913 20 5 CFBDMP C[NH+]1CCC([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000192617672 382710679 /nfs/dbraw/zinc/71/06/79/382710679.db2.gz STUCUZNYXDQGHR-INIZCTEOSA-N 2 1 289.379 2.656 20 5 CFBDMP Cc1c([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cccc1[N+](=O)[O-] ZINC000423383267 383075908 /nfs/dbraw/zinc/07/59/08/383075908.db2.gz PLIMCSVQNRXDFF-KGYLQXTDSA-N 2 1 277.368 2.694 20 5 CFBDMP C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]1 ZINC000423041807 383026757 /nfs/dbraw/zinc/02/67/57/383026757.db2.gz JWNKZJZGYGCFOO-MFKMUULPSA-N 2 1 297.786 2.521 20 5 CFBDMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000248199680 383219544 /nfs/dbraw/zinc/21/95/44/383219544.db2.gz YGBGHMNDVISGNQ-GDBMZVCRSA-N 2 1 289.379 2.511 20 5 CFBDMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000248199680 383219549 /nfs/dbraw/zinc/21/95/49/383219549.db2.gz YGBGHMNDVISGNQ-GDBMZVCRSA-N 2 1 289.379 2.511 20 5 CFBDMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000248199680 383219553 /nfs/dbraw/zinc/21/95/53/383219553.db2.gz YGBGHMNDVISGNQ-GDBMZVCRSA-N 2 1 289.379 2.511 20 5 CFBDMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000248199680 383219556 /nfs/dbraw/zinc/21/95/56/383219556.db2.gz YGBGHMNDVISGNQ-GDBMZVCRSA-N 2 1 289.379 2.511 20 5 CFBDMP C[C@@H]1C[C@@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])CC[N@@H+]1C ZINC000568647425 383423594 /nfs/dbraw/zinc/42/35/94/383423594.db2.gz NJVDWYUWIDGWAG-TYNCELHUSA-N 2 1 289.379 2.654 20 5 CFBDMP C[C@@H]1C[C@@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])CC[N@H+]1C ZINC000568647425 383423597 /nfs/dbraw/zinc/42/35/97/383423597.db2.gz NJVDWYUWIDGWAG-TYNCELHUSA-N 2 1 289.379 2.654 20 5 CFBDMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC[N@@H+]1C ZINC000568647425 383423601 /nfs/dbraw/zinc/42/36/01/383423601.db2.gz NJVDWYUWIDGWAG-TYNCELHUSA-N 2 1 289.379 2.654 20 5 CFBDMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC[N@H+]1C ZINC000568647425 383423604 /nfs/dbraw/zinc/42/36/04/383423604.db2.gz NJVDWYUWIDGWAG-TYNCELHUSA-N 2 1 289.379 2.654 20 5 CFBDMP C[C@H]1CC2(C[N@H+]1Cc1csc([N+](=O)[O-])c1)CC[NH2+]CC2 ZINC000424296706 393816175 /nfs/dbraw/zinc/81/61/75/393816175.db2.gz SFROVOQCHDHZEM-NSHDSACASA-N 2 1 295.408 2.620 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000540607356 394649931 /nfs/dbraw/zinc/64/99/31/394649931.db2.gz PXIWAGONVRAWJZ-ZDUSSCGKSA-N 2 1 289.379 2.816 20 5 CFBDMP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000037267023 173077881 /nfs/dbraw/zinc/07/78/81/173077881.db2.gz FCLNCTAKVPKOCY-LBPRGKRZSA-N 2 1 277.368 2.648 20 5 CFBDMP C[C@@H](CC[NH+](C)C)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278888136 274208661 /nfs/dbraw/zinc/20/86/61/274208661.db2.gz YKDGFCAOSWSNDR-BLLLJJGKSA-N 2 1 291.395 2.902 20 5 CFBDMP CC(C)c1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000347036453 276052610 /nfs/dbraw/zinc/05/26/10/276052610.db2.gz GXXZHOFNYBHPHP-AWEZNQCLSA-N 2 1 291.395 2.889 20 5 CFBDMP CC(C)c1ccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000347036453 276052611 /nfs/dbraw/zinc/05/26/11/276052611.db2.gz GXXZHOFNYBHPHP-AWEZNQCLSA-N 2 1 291.395 2.889 20 5 CFBDMP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000037177080 278344560 /nfs/dbraw/zinc/34/45/60/278344560.db2.gz OVTBYWGKXANVQS-CYBMUJFWSA-N 2 1 277.368 2.731 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000420305401 281022660 /nfs/dbraw/zinc/02/26/60/281022660.db2.gz KCXVMQHERFWTTG-BBRMVZONSA-N 2 1 289.379 2.650 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000420305401 281022662 /nfs/dbraw/zinc/02/26/62/281022662.db2.gz KCXVMQHERFWTTG-BBRMVZONSA-N 2 1 289.379 2.650 20 5 CFBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252840207 290267660 /nfs/dbraw/zinc/26/76/60/290267660.db2.gz BMEZGTGZQZLEAC-DHMWGJHJSA-N 2 1 289.379 2.715 20 5 CFBDMP CC[NH2+]CCC[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000566088332 290346479 /nfs/dbraw/zinc/34/64/79/290346479.db2.gz RXKDGLXRUYNGRO-AWEZNQCLSA-N 2 1 265.357 2.635 20 5 CFBDMP Cc1c(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000300125072 525727133 /nfs/dbraw/zinc/72/71/33/525727133.db2.gz IPXFBSXSZPMZRJ-TYNCELHUSA-N 2 1 291.395 2.722 20 5 CFBDMP Cc1c(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000300125072 525727142 /nfs/dbraw/zinc/72/71/42/525727142.db2.gz IPXFBSXSZPMZRJ-TYNCELHUSA-N 2 1 291.395 2.722 20 5 CFBDMP CCC[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000423311284 528222912 /nfs/dbraw/zinc/22/29/12/528222912.db2.gz BRPWEQVEGZSCBC-CABCVRRESA-N 2 1 277.368 2.763 20 5 CFBDMP CCCC[C@H](C[NH3+])[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000414811090 528953440 /nfs/dbraw/zinc/95/34/40/528953440.db2.gz IVBHJWSICJPSKC-IQCBXXCUSA-N 2 1 277.368 2.715 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923480475 626475893 /nfs/dbraw/zinc/47/58/93/626475893.db2.gz HKDCPDWQEGZZGW-CHWSQXEVSA-N 2 1 277.368 2.635 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923480477 626476034 /nfs/dbraw/zinc/47/60/34/626476034.db2.gz HKDCPDWQEGZZGW-QWHCGFSZSA-N 2 1 277.368 2.635 20 5 CFBDMP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000853247498 634950367 /nfs/dbraw/zinc/95/03/67/634950367.db2.gz RFMYBSIQNJPQIM-GFCCVEGCSA-N 2 1 285.775 2.711 20 5 CFBDMP CC[NH+]1CCC([NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000873009226 641983629 /nfs/dbraw/zinc/98/36/29/641983629.db2.gz ZMGHOXYXZZXXLF-UHFFFAOYSA-N 2 1 291.395 2.786 20 5 CFBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000873048311 641994801 /nfs/dbraw/zinc/99/48/01/641994801.db2.gz WHOPVLLICIEHSY-CQSZACIVSA-N 2 1 291.395 2.643 20 5 CFBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000873048311 641994805 /nfs/dbraw/zinc/99/48/05/641994805.db2.gz WHOPVLLICIEHSY-CQSZACIVSA-N 2 1 291.395 2.643 20 5 CFBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931432669 649425594 /nfs/dbraw/zinc/42/55/94/649425594.db2.gz ZBZJKXRYLCKDGG-VHDGCEQUSA-N 2 1 289.379 2.539 20 5 CFBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931432669 649425596 /nfs/dbraw/zinc/42/55/96/649425596.db2.gz ZBZJKXRYLCKDGG-VHDGCEQUSA-N 2 1 289.379 2.539 20 5 CFBDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1OCC[N+](C)(C)C ZINC001224776498 775271795 /nfs/dbraw/zinc/27/17/95/775271795.db2.gz WKZJBSWJGAMICF-WMZOPIPTSA-N 2 1 291.459 2.620 20 5 CFBDMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000693926953 775284678 /nfs/dbraw/zinc/28/46/78/775284678.db2.gz PVBRRMPJKXCQHN-OCCSQVGLSA-N 2 1 277.368 2.730 20 5 CFBDMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000693926953 775284686 /nfs/dbraw/zinc/28/46/86/775284686.db2.gz PVBRRMPJKXCQHN-OCCSQVGLSA-N 2 1 277.368 2.730 20 5 CFBDMP C[NH2+]C[C@@H]1CC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000420297212 529993147 /nfs/dbraw/zinc/99/31/47/529993147.db2.gz RDMLFOPZUNHURX-OLZOCXBDSA-N 2 1 277.368 2.506 20 5 CFBDMP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000420297212 529993149 /nfs/dbraw/zinc/99/31/49/529993149.db2.gz RDMLFOPZUNHURX-OLZOCXBDSA-N 2 1 277.368 2.506 20 5 CFBDMP Cc1ccc(CNC[C@H]2CC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000040623006 346346578 /nfs/dbraw/zinc/34/65/78/346346578.db2.gz QPNVPCVLIIJGLY-OAHLLOKOSA-N 2 1 291.395 2.723 20 5 CFBDMP Cc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000040623006 346346582 /nfs/dbraw/zinc/34/65/82/346346582.db2.gz QPNVPCVLIIJGLY-OAHLLOKOSA-N 2 1 291.395 2.723 20 5 CFBDMP Cc1ccc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000040623006 346346589 /nfs/dbraw/zinc/34/65/89/346346589.db2.gz QPNVPCVLIIJGLY-OAHLLOKOSA-N 2 1 291.395 2.723 20 5 CFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000593316199 349246468 /nfs/dbraw/zinc/24/64/68/349246468.db2.gz NAZWLHFJPQLPKE-WBMJQRKESA-N 2 1 291.395 2.853 20 5 CFBDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000105442955 186057013 /nfs/dbraw/zinc/05/70/13/186057013.db2.gz XECJCQSGSFOJJB-JTQLQIEISA-N 2 1 294.380 2.587 20 5 CFBDMP O=[N+]([O-])c1c(NCCN2CC=CCC2)ccc2cnccc21 ZINC000599079718 350371619 /nfs/dbraw/zinc/37/16/19/350371619.db2.gz MVTXYOWAKMAOHO-UHFFFAOYSA-N 2 1 298.346 2.817 20 5 CFBDMP Cc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000106868393 186144264 /nfs/dbraw/zinc/14/42/64/186144264.db2.gz PIUJFWSRZSJOKF-LSDHHAIUSA-N 2 1 289.379 2.620 20 5 CFBDMP Cc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000106868393 186144265 /nfs/dbraw/zinc/14/42/65/186144265.db2.gz PIUJFWSRZSJOKF-LSDHHAIUSA-N 2 1 289.379 2.620 20 5 CFBDMP C[C@H]([NH3+])C1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000110651093 186311112 /nfs/dbraw/zinc/31/11/12/186311112.db2.gz OAOJOKBTSKKCBF-JTQLQIEISA-N 2 1 297.786 2.807 20 5 CFBDMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000602875938 351054742 /nfs/dbraw/zinc/05/47/42/351054742.db2.gz BVYLXHHRRYBIKN-UHFFFAOYSA-N 2 1 289.379 2.513 20 5 CFBDMP CCOc1ccc([C@H](C)[NH2+]CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000152544590 188027628 /nfs/dbraw/zinc/02/76/28/188027628.db2.gz MOCNAKIPWMMELH-LBPRGKRZSA-N 2 1 295.383 2.596 20 5 CFBDMP Cc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000422560806 237102747 /nfs/dbraw/zinc/10/27/47/237102747.db2.gz HQOKBVRUZXQMIH-GUTXKFCHSA-N 2 1 291.395 2.708 20 5 CFBDMP Cc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000422560806 237102753 /nfs/dbraw/zinc/10/27/53/237102753.db2.gz HQOKBVRUZXQMIH-GUTXKFCHSA-N 2 1 291.395 2.708 20 5 CFBDMP Cc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000422921087 237349445 /nfs/dbraw/zinc/34/94/45/237349445.db2.gz OTNZLHVMATYWFA-SQPSOYEMSA-N 2 1 289.379 2.837 20 5 CFBDMP C[C@H](C[NH3+])C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423300319 238355950 /nfs/dbraw/zinc/35/59/50/238355950.db2.gz DMBXDQNKOFDPHE-DYVFJYSZSA-N 2 1 299.374 2.869 20 5 CFBDMP Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459729067 245287484 /nfs/dbraw/zinc/28/74/84/245287484.db2.gz DFYQDORMSYZQNV-AWEZNQCLSA-N 2 1 291.395 2.725 20 5 CFBDMP Cc1ccc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000459732827 245291197 /nfs/dbraw/zinc/29/11/97/245291197.db2.gz NBUTZTPCSPBULY-AWEZNQCLSA-N 2 1 291.395 2.725 20 5 CFBDMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000037648973 372684634 /nfs/dbraw/zinc/68/46/34/372684634.db2.gz WGFMZHYTQZWONB-STQMWFEESA-N 2 1 289.379 2.730 20 5 CFBDMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000037649073 372685454 /nfs/dbraw/zinc/68/54/54/372685454.db2.gz RLMAZQJYXUPRKH-STQMWFEESA-N 2 1 289.379 2.730 20 5 CFBDMP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000062078324 373747008 /nfs/dbraw/zinc/74/70/08/373747008.db2.gz BTHIUCSEWZAAHQ-UONOGXRCSA-N 2 1 291.395 2.977 20 5 CFBDMP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278888147 194196875 /nfs/dbraw/zinc/19/68/75/194196875.db2.gz YKDGFCAOSWSNDR-MLGOLLRUSA-N 2 1 291.395 2.902 20 5 CFBDMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000173344808 379728429 /nfs/dbraw/zinc/72/84/29/379728429.db2.gz WVVHFFAWHJYIIX-UONOGXRCSA-N 2 1 291.395 2.977 20 5 CFBDMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000173344808 379728434 /nfs/dbraw/zinc/72/84/34/379728434.db2.gz WVVHFFAWHJYIIX-UONOGXRCSA-N 2 1 291.395 2.977 20 5 CFBDMP C[C@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C[NH+](C)C ZINC000293777005 382274912 /nfs/dbraw/zinc/27/49/12/382274912.db2.gz SYCSCLQUGHHEHW-MLGOLLRUSA-N 2 1 291.395 2.760 20 5 CFBDMP CC(C)c1ccc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000346674577 382466452 /nfs/dbraw/zinc/46/64/52/382466452.db2.gz IODOZORSXFHQDS-JSGCOSHPSA-N 2 1 291.395 2.887 20 5 CFBDMP CC(C)c1ccc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000346674577 382466458 /nfs/dbraw/zinc/46/64/58/382466458.db2.gz IODOZORSXFHQDS-JSGCOSHPSA-N 2 1 291.395 2.887 20 5 CFBDMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000247157128 383148284 /nfs/dbraw/zinc/14/82/84/383148284.db2.gz UAJUJUSFPDRRTM-ZIAGYGMSSA-N 2 1 291.395 2.977 20 5 CFBDMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000247157128 383148291 /nfs/dbraw/zinc/14/82/91/383148291.db2.gz UAJUJUSFPDRRTM-ZIAGYGMSSA-N 2 1 291.395 2.977 20 5 CFBDMP O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250075941 383370147 /nfs/dbraw/zinc/37/01/47/383370147.db2.gz DFIPQBYLHAEDFU-RRFJBIMHSA-N 2 1 289.379 2.605 20 5 CFBDMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000252649368 383423583 /nfs/dbraw/zinc/42/35/83/383423583.db2.gz WWAYETPSKNTSPB-QEJZJMRPSA-N 2 1 289.379 2.872 20 5 CFBDMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000252649368 383423585 /nfs/dbraw/zinc/42/35/85/383423585.db2.gz WWAYETPSKNTSPB-QEJZJMRPSA-N 2 1 289.379 2.872 20 5 CFBDMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000266905060 384257645 /nfs/dbraw/zinc/25/76/45/384257645.db2.gz VCHWLXKIZYGSPC-LBPRGKRZSA-N 2 1 288.351 2.841 20 5 CFBDMP O=[N+]([O-])c1ccc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000220362847 285111873 /nfs/dbraw/zinc/11/18/73/285111873.db2.gz SRBARUBCEIRTCB-CQSZACIVSA-N 2 1 289.379 2.559 20 5 CFBDMP O=[N+]([O-])c1ccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000220362847 285111875 /nfs/dbraw/zinc/11/18/75/285111875.db2.gz SRBARUBCEIRTCB-CQSZACIVSA-N 2 1 289.379 2.559 20 5 CFBDMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000249382675 131121490 /nfs/dbraw/zinc/12/14/90/131121490.db2.gz UAIZWNOYVZCUQP-OLZOCXBDSA-N 2 1 277.368 2.587 20 5 CFBDMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000451104159 394357606 /nfs/dbraw/zinc/35/76/06/394357606.db2.gz PVBRRMPJKXCQHN-GXTWGEPZSA-N 2 1 277.368 2.730 20 5 CFBDMP C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000451104159 394357608 /nfs/dbraw/zinc/35/76/08/394357608.db2.gz PVBRRMPJKXCQHN-GXTWGEPZSA-N 2 1 277.368 2.730 20 5 CFBDMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000423536031 287054233 /nfs/dbraw/zinc/05/42/33/287054233.db2.gz YXXQFPZEUDVEQK-ABAIWWIYSA-N 2 1 277.368 2.763 20 5 CFBDMP CCC[NH+]1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000020190042 171056996 /nfs/dbraw/zinc/05/69/96/171056996.db2.gz IQQUHZOWMRGGSN-UHFFFAOYSA-N 2 1 277.368 2.559 20 5 CFBDMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000044534131 175197153 /nfs/dbraw/zinc/19/71/53/175197153.db2.gz YQKQOUWAJLXWJN-CZUORRHYSA-N 2 1 291.395 2.977 20 5 CFBDMP CC(C)([NH3+])C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423288423 273506282 /nfs/dbraw/zinc/50/62/82/273506282.db2.gz SAPMTYHLGWKSIF-ZDUSSCGKSA-N 2 1 277.368 2.644 20 5 CFBDMP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423280448 273555025 /nfs/dbraw/zinc/55/50/25/273555025.db2.gz UEUYYXOTHRSPFA-HUUCEWRRSA-N 2 1 291.395 2.890 20 5 CFBDMP CC(C)c1ccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000414965897 276053876 /nfs/dbraw/zinc/05/38/76/276053876.db2.gz WCWIJKXBXBZFGR-DOMZBBRYSA-N 2 1 291.395 2.806 20 5 CFBDMP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000366406961 277181648 /nfs/dbraw/zinc/18/16/48/277181648.db2.gz BDXVZEZLTJRELN-HOCLYGCPSA-N 2 1 289.379 2.511 20 5 CFBDMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000366406961 277181649 /nfs/dbraw/zinc/18/16/49/277181649.db2.gz BDXVZEZLTJRELN-HOCLYGCPSA-N 2 1 289.379 2.511 20 5 CFBDMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000366406961 277181650 /nfs/dbraw/zinc/18/16/50/277181650.db2.gz BDXVZEZLTJRELN-HOCLYGCPSA-N 2 1 289.379 2.511 20 5 CFBDMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000366406961 277181651 /nfs/dbraw/zinc/18/16/51/277181651.db2.gz BDXVZEZLTJRELN-HOCLYGCPSA-N 2 1 289.379 2.511 20 5 CFBDMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000414181081 278348022 /nfs/dbraw/zinc/34/80/22/278348022.db2.gz MMLJJJYWOUBHIY-KGLIPLIRSA-N 2 1 291.395 2.977 20 5 CFBDMP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000423329590 278356099 /nfs/dbraw/zinc/35/60/99/278356099.db2.gz MXBJVZHUIIZKJQ-IUODEOHRSA-N 2 1 277.368 2.635 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420406846 281021103 /nfs/dbraw/zinc/02/11/03/281021103.db2.gz OCHNFXOINFPZES-KWCYVHTRSA-N 2 1 291.395 2.881 20 5 CFBDMP Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000424374713 281227444 /nfs/dbraw/zinc/22/74/44/281227444.db2.gz LOEAKLHIAKLGCB-MRVWCRGKSA-N 2 1 277.368 2.824 20 5 CFBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CCC[NH+](C)C ZINC000516348343 281302887 /nfs/dbraw/zinc/30/28/87/281302887.db2.gz SXKPOVLDFGKSGR-KAMYIIQDSA-N 2 1 291.395 2.882 20 5 CFBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)CCC[NH+](C)C ZINC000516348343 281302888 /nfs/dbraw/zinc/30/28/88/281302888.db2.gz SXKPOVLDFGKSGR-KAMYIIQDSA-N 2 1 291.395 2.882 20 5 CFBDMP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000563416687 290146377 /nfs/dbraw/zinc/14/63/77/290146377.db2.gz INIXRJAGOCMBHY-DOMZBBRYSA-N 2 1 289.379 2.514 20 5 CFBDMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000563416687 290146379 /nfs/dbraw/zinc/14/63/79/290146379.db2.gz INIXRJAGOCMBHY-DOMZBBRYSA-N 2 1 289.379 2.514 20 5 CFBDMP CC[N@@H+]1CCC[C@@H]1CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000581834486 325152493 /nfs/dbraw/zinc/15/24/93/325152493.db2.gz QJSIYCCKNGBYBI-DOMZBBRYSA-N 2 1 289.379 2.656 20 5 CFBDMP CC[N@H+]1CCC[C@@H]1CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000581834486 325152498 /nfs/dbraw/zinc/15/24/98/325152498.db2.gz QJSIYCCKNGBYBI-DOMZBBRYSA-N 2 1 289.379 2.656 20 5 CFBDMP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000423329595 533890816 /nfs/dbraw/zinc/89/08/16/533890816.db2.gz MXBJVZHUIIZKJQ-WFASDCNBSA-N 2 1 277.368 2.635 20 5 CFBDMP CCC([NH3+])(CC)C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000414796037 528948596 /nfs/dbraw/zinc/94/85/96/528948596.db2.gz BNXTVBVOSWNBFP-VQHVLOKHSA-N 2 1 277.368 2.715 20 5 CFBDMP CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903432599 621373068 /nfs/dbraw/zinc/37/30/68/621373068.db2.gz GBEPJKGACIESFI-HIFRSBDPSA-N 2 1 291.395 2.661 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903498283 621394234 /nfs/dbraw/zinc/39/42/34/621394234.db2.gz BUTXPTPIQWAWPR-MGPQQGTHSA-N 2 1 291.395 2.881 20 5 CFBDMP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000903988026 621499571 /nfs/dbraw/zinc/49/95/71/621499571.db2.gz MSBCVIYAKMJYLS-MBNYWOFBSA-N 2 1 277.368 2.776 20 5 CFBDMP C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1C[NH3+] ZINC000923496426 626476598 /nfs/dbraw/zinc/47/65/98/626476598.db2.gz IDZHDERHMCPFTB-WDEREUQCSA-N 2 1 297.786 2.665 20 5 CFBDMP C[N@H+](Cc1c2ccccc2cc2ccccc21)C[C@@H](O)C[NH3+] ZINC000841093935 631338674 /nfs/dbraw/zinc/33/86/74/631338674.db2.gz VUPHOCYXBIAZPE-INIZCTEOSA-N 2 1 294.398 2.744 20 5 CFBDMP C[N@H+](CCCCCC[NH3+])Cc1c(F)cccc1[N+](=O)[O-] ZINC000872155414 641676076 /nfs/dbraw/zinc/67/60/76/641676076.db2.gz RDWKNFUPILMSBC-UHFFFAOYSA-N 2 1 283.347 2.685 20 5 CFBDMP C[N@@H+](CCCCCC[NH3+])Cc1c(F)cccc1[N+](=O)[O-] ZINC000872155414 641676081 /nfs/dbraw/zinc/67/60/81/641676081.db2.gz RDWKNFUPILMSBC-UHFFFAOYSA-N 2 1 283.347 2.685 20 5 CFBDMP Cc1c(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000873141469 642028385 /nfs/dbraw/zinc/02/83/85/642028385.db2.gz FSSAGAMLIBCNCM-CQSZACIVSA-N 2 1 291.395 2.725 20 5 CFBDMP Cc1c(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000873141469 642028391 /nfs/dbraw/zinc/02/83/91/642028391.db2.gz FSSAGAMLIBCNCM-CQSZACIVSA-N 2 1 291.395 2.725 20 5 CFBDMP Cc1ccc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000873253485 642099213 /nfs/dbraw/zinc/09/92/13/642099213.db2.gz YKZDILLORVTQMI-KGLIPLIRSA-N 2 1 277.368 2.653 20 5 CFBDMP O=[N+]([O-])c1ccccc1C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886865122 647164278 /nfs/dbraw/zinc/16/42/78/647164278.db2.gz AOZNQLTZQKSKFH-INIZCTEOSA-N 2 1 289.379 2.560 20 5 CFBDMP O=[N+]([O-])c1ccccc1C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886865122 647164281 /nfs/dbraw/zinc/16/42/81/647164281.db2.gz AOZNQLTZQKSKFH-INIZCTEOSA-N 2 1 289.379 2.560 20 5 CFBDMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000925628819 648249170 /nfs/dbraw/zinc/24/91/70/648249170.db2.gz JQCDZMGCHVTKNO-ZDUSSCGKSA-N 2 1 297.786 2.521 20 5 CFBDMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)c1ccccc1[N+](=O)[O-] ZINC000925635556 648253811 /nfs/dbraw/zinc/25/38/11/648253811.db2.gz NWVZRTIZEUTHRR-ZLKJLUDKSA-N 2 1 275.352 2.515 20 5 CFBDMP C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933739962 649718358 /nfs/dbraw/zinc/71/83/58/649718358.db2.gz DUQGEDPZHDRBTQ-DVOMOZLQSA-N 2 1 289.379 2.539 20 5 CFBDMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000693926959 775283918 /nfs/dbraw/zinc/28/39/18/775283918.db2.gz PVBRRMPJKXCQHN-TZMCWYRMSA-N 2 1 277.368 2.730 20 5 CFBDMP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000693926959 775283926 /nfs/dbraw/zinc/28/39/26/775283926.db2.gz PVBRRMPJKXCQHN-TZMCWYRMSA-N 2 1 277.368 2.730 20 5 CFBDMP CC[C@@H]1C[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000251767287 348293738 /nfs/dbraw/zinc/29/37/38/348293738.db2.gz MGFFCLKHGFGCJD-OUCADQQQSA-N 2 1 277.368 2.715 20 5 CFBDMP CC[C@@H]1C[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000251767287 348293743 /nfs/dbraw/zinc/29/37/43/348293743.db2.gz MGFFCLKHGFGCJD-OUCADQQQSA-N 2 1 277.368 2.715 20 5 CFBDMP Cc1c(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cccc1[N+](=O)[O-] ZINC000404382714 348591095 /nfs/dbraw/zinc/59/10/95/348591095.db2.gz NCMZXYMDCYCQBX-WFASDCNBSA-N 2 1 291.395 2.853 20 5 CFBDMP C[C@@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H]1CC[NH3+] ZINC000404411541 348591319 /nfs/dbraw/zinc/59/13/19/348591319.db2.gz XWRFMUQMCUNIAL-CJNGLKHVSA-N 2 1 291.395 2.587 20 5 CFBDMP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000591275636 349006150 /nfs/dbraw/zinc/00/61/50/349006150.db2.gz NSLQQEMVQUVTBG-DZGCQCFKSA-N 2 1 291.395 2.648 20 5 CFBDMP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000591582661 349032476 /nfs/dbraw/zinc/03/24/76/349032476.db2.gz SRBHKPSBYIQQBI-GXTWGEPZSA-N 2 1 289.379 2.920 20 5 CFBDMP CC(C)C[N@H+](C)CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000593646948 349304293 /nfs/dbraw/zinc/30/42/93/349304293.db2.gz UPOFGKWNKLHIKN-UHFFFAOYSA-N 2 1 279.384 2.662 20 5 CFBDMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000593646948 349304297 /nfs/dbraw/zinc/30/42/97/349304297.db2.gz UPOFGKWNKLHIKN-UHFFFAOYSA-N 2 1 279.384 2.662 20 5 CFBDMP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000414808291 233360382 /nfs/dbraw/zinc/36/03/82/233360382.db2.gz SCWWRMNZEBZEGX-QMTHXVAHSA-N 2 1 297.786 2.855 20 5 CFBDMP Cc1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1[N+](=O)[O-] ZINC000092253554 180353052 /nfs/dbraw/zinc/35/30/52/180353052.db2.gz KANGDGJFIHQITL-OAHLLOKOSA-N 2 1 291.395 2.677 20 5 CFBDMP Cc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1[N+](=O)[O-] ZINC000092253554 180353055 /nfs/dbraw/zinc/35/30/55/180353055.db2.gz KANGDGJFIHQITL-OAHLLOKOSA-N 2 1 291.395 2.677 20 5 CFBDMP Cc1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000092253554 180353056 /nfs/dbraw/zinc/35/30/56/180353056.db2.gz KANGDGJFIHQITL-OAHLLOKOSA-N 2 1 291.395 2.677 20 5 CFBDMP Cc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000092253554 180353058 /nfs/dbraw/zinc/35/30/58/180353058.db2.gz KANGDGJFIHQITL-OAHLLOKOSA-N 2 1 291.395 2.677 20 5 CFBDMP CC[C@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)[NH+]1CCCC1 ZINC000602509871 350909369 /nfs/dbraw/zinc/90/93/69/350909369.db2.gz VLMHMEMPCUNQNQ-OAHLLOKOSA-N 2 1 291.395 2.601 20 5 CFBDMP C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)CC1CC[NH2+]CC1 ZINC000178956523 189157463 /nfs/dbraw/zinc/15/74/63/189157463.db2.gz LJUNPTPFUYMSIE-UHFFFAOYSA-N 2 1 297.786 2.680 20 5 CFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000183279549 189353400 /nfs/dbraw/zinc/35/34/00/189353400.db2.gz VQKWUSYZDPAGPL-CQSZACIVSA-N 2 1 291.395 2.677 20 5 CFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000183279549 189353401 /nfs/dbraw/zinc/35/34/01/189353401.db2.gz VQKWUSYZDPAGPL-CQSZACIVSA-N 2 1 291.395 2.677 20 5 CFBDMP Cc1cc([N+](=O)[O-])ccc1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000183279549 189353402 /nfs/dbraw/zinc/35/34/02/189353402.db2.gz VQKWUSYZDPAGPL-CQSZACIVSA-N 2 1 291.395 2.677 20 5 CFBDMP Cc1cc([N+](=O)[O-])ccc1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000183279549 189353403 /nfs/dbraw/zinc/35/34/03/189353403.db2.gz VQKWUSYZDPAGPL-CQSZACIVSA-N 2 1 291.395 2.677 20 5 CFBDMP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000049553818 373310260 /nfs/dbraw/zinc/31/02/60/373310260.db2.gz ZFKNFRKANAZMAK-RYUDHWBXSA-N 2 1 265.357 2.586 20 5 CFBDMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000093516242 375262334 /nfs/dbraw/zinc/26/23/34/375262334.db2.gz WNPUEFTYCPTOJS-DZGCQCFKSA-N 2 1 291.395 2.995 20 5 CFBDMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000128493378 377342298 /nfs/dbraw/zinc/34/22/98/377342298.db2.gz PROVUIDREKXPSV-WFASDCNBSA-N 2 1 279.384 2.961 20 5 CFBDMP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000163408411 378969889 /nfs/dbraw/zinc/96/98/89/378969889.db2.gz KCKPRPLUDBIBDB-DYEKYZERSA-N 2 1 277.368 2.573 20 5 CFBDMP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000163408411 378969897 /nfs/dbraw/zinc/96/98/97/378969897.db2.gz KCKPRPLUDBIBDB-DYEKYZERSA-N 2 1 277.368 2.573 20 5 CFBDMP C[C@H]([NH3+])[C@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000347234964 381020606 /nfs/dbraw/zinc/02/06/06/381020606.db2.gz ZYYRYDAIHSELJS-BPFGOOJPSA-N 2 1 289.379 2.667 20 5 CFBDMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000347234964 381020619 /nfs/dbraw/zinc/02/06/19/381020619.db2.gz ZYYRYDAIHSELJS-BPFGOOJPSA-N 2 1 289.379 2.667 20 5 CFBDMP O=[N+]([O-])c1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415056554 381742316 /nfs/dbraw/zinc/74/23/16/381742316.db2.gz SHCYEQQSUCIJNF-GDBMZVCRSA-N 2 1 289.379 2.559 20 5 CFBDMP O=[N+]([O-])c1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415056554 381742324 /nfs/dbraw/zinc/74/23/24/381742324.db2.gz SHCYEQQSUCIJNF-GDBMZVCRSA-N 2 1 289.379 2.559 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000420300906 382352293 /nfs/dbraw/zinc/35/22/93/382352293.db2.gz DHXDICPFPQJHDQ-AVGNSLFASA-N 2 1 277.368 2.633 20 5 CFBDMP [NH3+]CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)CC1CCCC1 ZINC000352509845 382375532 /nfs/dbraw/zinc/37/55/32/382375532.db2.gz LNJRVHKZTOHQJQ-UHFFFAOYSA-N 2 1 291.395 2.936 20 5 CFBDMP [NH3+]CC[C@@H]1CCCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000352526637 382380918 /nfs/dbraw/zinc/38/09/18/382380918.db2.gz QAYGPIZLMKFLLN-ZKKXHLJNSA-N 2 1 289.379 2.811 20 5 CFBDMP [NH3+]CC[C@@H]1CCCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000352526637 382380920 /nfs/dbraw/zinc/38/09/20/382380920.db2.gz QAYGPIZLMKFLLN-ZKKXHLJNSA-N 2 1 289.379 2.811 20 5 CFBDMP O=[N+]([O-])c1cccc(C[N@@H+](CC[C@@H]2CC[NH2+]C2)C2CC2)c1 ZINC000420369606 382391071 /nfs/dbraw/zinc/39/10/71/382391071.db2.gz XUSOCEDMDDGRLX-ZDUSSCGKSA-N 2 1 289.379 2.559 20 5 CFBDMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000346693377 382477889 /nfs/dbraw/zinc/47/78/89/382477889.db2.gz MRZAASLRAXXNNB-DDJMYBDESA-N 2 1 291.395 2.913 20 5 CFBDMP O=[N+]([O-])c1cccc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CC2)c1 ZINC000220363088 382795820 /nfs/dbraw/zinc/79/58/20/382795820.db2.gz GEBJYNNBTPBDMC-AWEZNQCLSA-N 2 1 289.379 2.559 20 5 CFBDMP O=[N+]([O-])c1cccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)c1 ZINC000220363088 382795823 /nfs/dbraw/zinc/79/58/23/382795823.db2.gz GEBJYNNBTPBDMC-AWEZNQCLSA-N 2 1 289.379 2.559 20 5 CFBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000245931829 383050463 /nfs/dbraw/zinc/05/04/63/383050463.db2.gz ZMCVCYUBEFTMMX-KGLIPLIRSA-N 2 1 291.395 2.929 20 5 CFBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000245931829 383050470 /nfs/dbraw/zinc/05/04/70/383050470.db2.gz ZMCVCYUBEFTMMX-KGLIPLIRSA-N 2 1 291.395 2.929 20 5 CFBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000245931829 383050473 /nfs/dbraw/zinc/05/04/73/383050473.db2.gz ZMCVCYUBEFTMMX-KGLIPLIRSA-N 2 1 291.395 2.929 20 5 CFBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000245931829 383050476 /nfs/dbraw/zinc/05/04/76/383050476.db2.gz ZMCVCYUBEFTMMX-KGLIPLIRSA-N 2 1 291.395 2.929 20 5 CFBDMP Cc1c([C@H](C)[NH2+][C@H]2CC[NH2+][C@H](C)C2)cccc1[N+](=O)[O-] ZINC000423383269 383076512 /nfs/dbraw/zinc/07/65/12/383076512.db2.gz PLIMCSVQNRXDFF-WXHSDQCUSA-N 2 1 277.368 2.694 20 5 CFBDMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449077627 383164382 /nfs/dbraw/zinc/16/43/82/383164382.db2.gz WESYGENVIZCDQA-UONOGXRCSA-N 2 1 293.411 2.846 20 5 CFBDMP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253195999 383447477 /nfs/dbraw/zinc/44/74/77/383447477.db2.gz SEYIPTPMYNOWLA-FRRDWIJNSA-N 2 1 277.368 2.573 20 5 CFBDMP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253195999 383447484 /nfs/dbraw/zinc/44/74/84/383447484.db2.gz SEYIPTPMYNOWLA-FRRDWIJNSA-N 2 1 277.368 2.573 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000420319806 292296649 /nfs/dbraw/zinc/29/66/49/292296649.db2.gz POASBYLIXRTGCZ-FRRDWIJNSA-N 2 1 277.368 2.633 20 5 CFBDMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000044534270 175197169 /nfs/dbraw/zinc/19/71/69/175197169.db2.gz XDECNNIGFMSAIK-OLZOCXBDSA-N 2 1 277.368 2.587 20 5 CFBDMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000044534270 175197171 /nfs/dbraw/zinc/19/71/71/175197171.db2.gz XDECNNIGFMSAIK-OLZOCXBDSA-N 2 1 277.368 2.587 20 5 CFBDMP C[C@@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C[NH+](C)C ZINC000293776979 274225343 /nfs/dbraw/zinc/22/53/43/274225343.db2.gz SYCSCLQUGHHEHW-BLLLJJGKSA-N 2 1 291.395 2.760 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000245532465 281021454 /nfs/dbraw/zinc/02/14/54/281021454.db2.gz UPSXPRWLXUHSQJ-KBPBESRZSA-N 2 1 291.395 2.848 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000245532465 281021455 /nfs/dbraw/zinc/02/14/55/281021455.db2.gz UPSXPRWLXUHSQJ-KBPBESRZSA-N 2 1 291.395 2.848 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000420300908 281022007 /nfs/dbraw/zinc/02/20/07/281022007.db2.gz DHXDICPFPQJHDQ-RWMBFGLXSA-N 2 1 277.368 2.633 20 5 CFBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252867195 290251594 /nfs/dbraw/zinc/25/15/94/290251594.db2.gz QTZLMXSNAADVME-XTBFLFJDSA-N 2 1 289.379 2.715 20 5 CFBDMP C[C@@H](C[NH3+])C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423300320 533772640 /nfs/dbraw/zinc/77/26/40/533772640.db2.gz DMBXDQNKOFDPHE-GUYCJALGSA-N 2 1 299.374 2.869 20 5 CFBDMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000245425965 521713114 /nfs/dbraw/zinc/71/31/14/521713114.db2.gz LAGADGYPMJXLDN-XJKSGUPXSA-N 2 1 291.395 2.757 20 5 CFBDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000245425965 521713115 /nfs/dbraw/zinc/71/31/15/521713115.db2.gz LAGADGYPMJXLDN-XJKSGUPXSA-N 2 1 291.395 2.757 20 5 CFBDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000245425965 521713117 /nfs/dbraw/zinc/71/31/17/521713117.db2.gz LAGADGYPMJXLDN-XJKSGUPXSA-N 2 1 291.395 2.757 20 5 CFBDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000245425965 521713119 /nfs/dbraw/zinc/71/31/19/521713119.db2.gz LAGADGYPMJXLDN-XJKSGUPXSA-N 2 1 291.395 2.757 20 5 CFBDMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000245422250 521714102 /nfs/dbraw/zinc/71/41/02/521714102.db2.gz IPZLCZLGWKYUQO-XJKSGUPXSA-N 2 1 291.395 2.757 20 5 CFBDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000245422250 521714104 /nfs/dbraw/zinc/71/41/04/521714104.db2.gz IPZLCZLGWKYUQO-XJKSGUPXSA-N 2 1 291.395 2.757 20 5 CFBDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000245422250 521714106 /nfs/dbraw/zinc/71/41/06/521714106.db2.gz IPZLCZLGWKYUQO-XJKSGUPXSA-N 2 1 291.395 2.757 20 5 CFBDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000245422250 521714108 /nfs/dbraw/zinc/71/41/08/521714108.db2.gz IPZLCZLGWKYUQO-XJKSGUPXSA-N 2 1 291.395 2.757 20 5 CFBDMP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cccc([N+](=O)[O-])c2)C1 ZINC000269139027 536475136 /nfs/dbraw/zinc/47/51/36/536475136.db2.gz ZOYOCFXJGBJNTM-GDBMZVCRSA-N 2 1 289.379 2.511 20 5 CFBDMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cccc([N+](=O)[O-])c2)C1 ZINC000269139027 536475138 /nfs/dbraw/zinc/47/51/38/536475138.db2.gz ZOYOCFXJGBJNTM-GDBMZVCRSA-N 2 1 289.379 2.511 20 5 CFBDMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2)C1 ZINC000269139027 536475140 /nfs/dbraw/zinc/47/51/40/536475140.db2.gz ZOYOCFXJGBJNTM-GDBMZVCRSA-N 2 1 289.379 2.511 20 5 CFBDMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cccc([N+](=O)[O-])c2)C1 ZINC000269139027 536475141 /nfs/dbraw/zinc/47/51/41/536475141.db2.gz ZOYOCFXJGBJNTM-GDBMZVCRSA-N 2 1 289.379 2.511 20 5 CFBDMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000414835156 528309927 /nfs/dbraw/zinc/30/99/27/528309927.db2.gz HEGMSVMQNCDWOP-ZFWWWQNUSA-N 2 1 293.411 2.879 20 5 CFBDMP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000841059118 620423327 /nfs/dbraw/zinc/42/33/27/620423327.db2.gz XVWXPNQFHCXDNJ-NWDGAFQWSA-N 2 1 283.759 2.608 20 5 CFBDMP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000841059119 620423492 /nfs/dbraw/zinc/42/34/92/620423492.db2.gz XVWXPNQFHCXDNJ-RYUDHWBXSA-N 2 1 283.759 2.608 20 5 CFBDMP C[C@@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC[C@@H]1C[NH3+] ZINC000904410706 621591952 /nfs/dbraw/zinc/59/19/52/621591952.db2.gz FTONZDSFZHNKIM-AVXNYWLKSA-N 2 1 289.379 2.525 20 5 CFBDMP C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1C[NH3+] ZINC000904411586 621592685 /nfs/dbraw/zinc/59/26/85/621592685.db2.gz NTKRBWHJMUWSJR-QWRGUYRKSA-N 2 1 297.786 2.665 20 5 CFBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923497915 626477239 /nfs/dbraw/zinc/47/72/39/626477239.db2.gz NEURJZRHJWDHIF-JHJVBQTASA-N 2 1 277.368 2.573 20 5 CFBDMP O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000886865519 647163796 /nfs/dbraw/zinc/16/37/96/647163796.db2.gz MVSPFKPICIPLEB-MRXNPFEDSA-N 2 1 289.379 2.560 20 5 CFBDMP O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000886865519 647163800 /nfs/dbraw/zinc/16/38/00/647163800.db2.gz MVSPFKPICIPLEB-MRXNPFEDSA-N 2 1 289.379 2.560 20 5 CFBDMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000925630111 648249924 /nfs/dbraw/zinc/24/99/24/648249924.db2.gz QYEAFGTWERAORU-GXFFZTMASA-N 2 1 297.786 2.521 20 5 CFBDMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000925630113 648250003 /nfs/dbraw/zinc/25/00/03/648250003.db2.gz QYEAFGTWERAORU-ZWNOBZJWSA-N 2 1 297.786 2.521 20 5 CFBDMP C[N+](C)(C)CCCO[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001224619141 775228203 /nfs/dbraw/zinc/22/82/03/775228203.db2.gz MDPHOWTUIMNLQB-GOSISDBHSA-N 2 1 291.459 2.764 20 5 CFBDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1OCC[N+](C)(C)C ZINC001224776496 775271374 /nfs/dbraw/zinc/27/13/74/775271374.db2.gz WKZJBSWJGAMICF-FUHWJXTLSA-N 2 1 291.459 2.620 20 5 CFBDMP Cc1ccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000593317797 349246678 /nfs/dbraw/zinc/24/66/78/349246678.db2.gz YOYINBVHOVRYFV-DOMZBBRYSA-N 2 1 291.395 2.853 20 5 CFBDMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020090572 372228017 /nfs/dbraw/zinc/22/80/17/372228017.db2.gz FQNKSUZBRSPNJE-ZDUSSCGKSA-N 2 1 279.384 2.977 20 5 CFBDMP C[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C[NH+]1CCCCC1 ZINC000037997555 372756582 /nfs/dbraw/zinc/75/65/82/372756582.db2.gz YADDUOQMAXSJAV-AWEZNQCLSA-N 2 1 291.395 2.806 20 5 CFBDMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000136297367 378194539 /nfs/dbraw/zinc/19/45/39/378194539.db2.gz UWXFBHZOYZRTGY-UHFFFAOYSA-N 2 1 288.351 2.622 20 5 CFBDMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000136297367 378194542 /nfs/dbraw/zinc/19/45/42/378194542.db2.gz UWXFBHZOYZRTGY-UHFFFAOYSA-N 2 1 288.351 2.622 20 5 CFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347023832 380887828 /nfs/dbraw/zinc/88/78/28/380887828.db2.gz PVTVNJTYLXMCFL-MZBDJJRSSA-N 2 1 289.379 2.618 20 5 CFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347023832 380887831 /nfs/dbraw/zinc/88/78/31/380887831.db2.gz PVTVNJTYLXMCFL-MZBDJJRSSA-N 2 1 289.379 2.618 20 5 CFBDMP C[C@@H](C[NH3+])[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000414941030 381631414 /nfs/dbraw/zinc/63/14/14/381631414.db2.gz HZMDLYKJPTYLPB-JTQLQIEISA-N 2 1 291.376 2.760 20 5 CFBDMP O=[N+]([O-])c1cccc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415056556 381742435 /nfs/dbraw/zinc/74/24/35/381742435.db2.gz SHCYEQQSUCIJNF-HOCLYGCPSA-N 2 1 289.379 2.559 20 5 CFBDMP O=[N+]([O-])c1cccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415056556 381742444 /nfs/dbraw/zinc/74/24/44/381742444.db2.gz SHCYEQQSUCIJNF-HOCLYGCPSA-N 2 1 289.379 2.559 20 5 CFBDMP Cc1c(CN[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000231884221 382867356 /nfs/dbraw/zinc/86/73/56/382867356.db2.gz AXNWHPCFQSVUSA-BXUZGUMPSA-N 2 1 289.379 2.618 20 5 CFBDMP Cc1c(CN[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000231884221 382867357 /nfs/dbraw/zinc/86/73/57/382867357.db2.gz AXNWHPCFQSVUSA-BXUZGUMPSA-N 2 1 289.379 2.618 20 5 CFBDMP Cc1c(CN[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000231884226 382867427 /nfs/dbraw/zinc/86/74/27/382867427.db2.gz AXNWHPCFQSVUSA-SMDDNHRTSA-N 2 1 289.379 2.618 20 5 CFBDMP Cc1c(CN[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000231884226 382867429 /nfs/dbraw/zinc/86/74/29/382867429.db2.gz AXNWHPCFQSVUSA-SMDDNHRTSA-N 2 1 289.379 2.618 20 5 CFBDMP Cc1c([C@H](C)[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000423383266 383076683 /nfs/dbraw/zinc/07/66/83/383076683.db2.gz PLIMCSVQNRXDFF-DRZSPHRISA-N 2 1 277.368 2.694 20 5 CFBDMP CC[NH2+]CCC[NH2+][C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000567259684 383256605 /nfs/dbraw/zinc/25/66/05/383256605.db2.gz QXUHWSUJHYMHBH-GFCCVEGCSA-N 2 1 295.383 2.644 20 5 CFBDMP Cc1c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000250882373 383382376 /nfs/dbraw/zinc/38/23/76/383382376.db2.gz CBWVAYOWGNJQNL-CABCVRRESA-N 2 1 289.379 2.620 20 5 CFBDMP Cc1c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000250882373 383382380 /nfs/dbraw/zinc/38/23/80/383382380.db2.gz CBWVAYOWGNJQNL-CABCVRRESA-N 2 1 289.379 2.620 20 5 CFBDMP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000252674152 383426113 /nfs/dbraw/zinc/42/61/13/383426113.db2.gz PIUJFWSRZSJOKF-CABCVRRESA-N 2 1 289.379 2.620 20 5 CFBDMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000252674152 383426117 /nfs/dbraw/zinc/42/61/17/383426117.db2.gz PIUJFWSRZSJOKF-CABCVRRESA-N 2 1 289.379 2.620 20 5 CFBDMP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000572984323 383853948 /nfs/dbraw/zinc/85/39/48/383853948.db2.gz AACBSSRXJKMNJC-RISCZKNCSA-N 2 1 277.368 2.512 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)CC[NH+](C)C ZINC000531962928 383948034 /nfs/dbraw/zinc/94/80/34/383948034.db2.gz JJFFEGVGUAQAIC-CHWSQXEVSA-N 2 1 279.384 2.894 20 5 CFBDMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc([N+](=O)[O-])c1 ZINC000422938168 533341192 /nfs/dbraw/zinc/34/11/92/533341192.db2.gz GTCFBPHALYJUIA-BKQLOGFTSA-N 2 1 275.352 2.528 20 5 CFBDMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000268914581 132087048 /nfs/dbraw/zinc/08/70/48/132087048.db2.gz ZXADLRVDEXJJBD-LBPRGKRZSA-N 2 1 288.351 2.841 20 5 CFBDMP CC(C)[C@H]([NH3+])C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423280446 394275852 /nfs/dbraw/zinc/27/58/52/394275852.db2.gz UEUYYXOTHRSPFA-CABCVRRESA-N 2 1 291.395 2.890 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000530460177 394519675 /nfs/dbraw/zinc/51/96/75/394519675.db2.gz RNPRCYDBLYQQKG-GFCCVEGCSA-N 2 1 288.351 2.530 20 5 CFBDMP CC1CC[NH+](CCC[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000020146341 171032628 /nfs/dbraw/zinc/03/26/28/171032628.db2.gz QPMAZBQVFNIZEH-UHFFFAOYSA-N 2 1 291.395 2.806 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000420305404 281021956 /nfs/dbraw/zinc/02/19/56/281021956.db2.gz KCXVMQHERFWTTG-XJKSGUPXSA-N 2 1 289.379 2.650 20 5 CFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000420305404 281021957 /nfs/dbraw/zinc/02/19/57/281021957.db2.gz KCXVMQHERFWTTG-XJKSGUPXSA-N 2 1 289.379 2.650 20 5 CFBDMP