smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]CCN(CC[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)N(O)N=O ZINC001172903150 850716217 /nfs/dbraw/zinc/71/62/17/850716217.db2.gz FLELFEDPEOKOPC-CQSZACIVSA-N 2 0 352.395 0.980 20 5 FCBDRP O=C(NC[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1)[C@@H]1CCC[NH2+]1 ZINC000261675618 209466549 /nfs/dbraw/zinc/46/65/49/209466549.db2.gz CEVVFGNCNFNJSP-HIFRSBDPSA-N 2 0 350.423 0.372 20 5 FCBDRP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000562994628 491206528 /nfs/dbraw/zinc/20/65/28/491206528.db2.gz DMTFMTSSBMESEL-IKGGRYGDSA-N 2 0 367.450 0.510 20 5 FCBDRP Cc1ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000130551726 488638658 /nfs/dbraw/zinc/63/86/58/488638658.db2.gz OBWKNCSRFDFQMP-UHFFFAOYSA-N 2 0 365.434 0.794 20 5 FCBDRP COC(=O)COc1ccc(C[NH2+]CC2(O)CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000474369348 489757915 /nfs/dbraw/zinc/75/79/15/489757915.db2.gz LLQCMPAGPNOQSN-UHFFFAOYSA-N 2 0 367.402 0.693 20 5 FCBDRP O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(CC[C@H]3CC[NH2+]C3)CC2)c1 ZINC000420321770 489963035 /nfs/dbraw/zinc/96/30/35/489963035.db2.gz RQKZQPNWGDRCKR-CQSZACIVSA-N 2 0 368.459 0.901 20 5 FCBDRP O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000923365022 667828146 /nfs/dbraw/zinc/82/81/46/667828146.db2.gz FGPWHQDJMGOABQ-CABCVRRESA-N 2 0 350.419 0.314 20 5 FCBDRP C[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)CCN1CC[NH2+]CC1 ZINC000592472105 1196625905 /nfs/dbraw/zinc/62/59/05/1196625905.db2.gz LUVQIPNQFFHJKL-UHFFFAOYSA-N 2 0 363.418 0.730 20 5 FCBDRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001120588713 1222106128 /nfs/dbraw/zinc/10/61/28/1222106128.db2.gz CMYRYFISOZUOLS-JKSUJKDBSA-N 2 0 366.462 0.950 20 5 FCBDRP CCOC1(OCC)CC[NH2+]C[C@H]1Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001155232775 1223030640 /nfs/dbraw/zinc/03/06/40/1223030640.db2.gz PWCQCFGXJBIXLF-CYBMUJFWSA-N 2 0 366.422 0.615 20 5 FCBDRP [NH3+]C1([C@@H]2CN(c3ncnc(N4CC[NH2+]CC4)c3[N+](=O)[O-])C[C@H]2CF)CC1 ZINC001165433011 1223246259 /nfs/dbraw/zinc/24/62/59/1223246259.db2.gz VTKDJZDRTKQGET-VXGBXAGGSA-N 2 0 365.413 0.308 20 5 FCBDRP [NH3+]CCN(CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)N(O)N=O ZINC001254470579 1259886647 /nfs/dbraw/zinc/88/66/47/1259886647.db2.gz YUVTVDPNZRINHS-UHFFFAOYSA-N 2 0 367.410 0.702 20 5 FCBDRP COc1cc(N2CCC([N@@H+]3CC[C@@H]([NH3+])[C@H](O)C3)CC2)ccc1[N+](=O)[O-] ZINC001246559134 857584687 /nfs/dbraw/zinc/58/46/87/857584687.db2.gz NTWFWUHTXPSMLO-GDBMZVCRSA-N 2 0 350.419 0.966 20 5 FCBDRP [NH3+]CC1CCC([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000415082781 245347396 /nfs/dbraw/zinc/34/73/96/245347396.db2.gz OVQDSPOSLGXBFH-UHFFFAOYSA-N 2 0 356.448 0.980 20 5 FCBDRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1c[nH]nc1[N+](=O)[O-] ZINC000554867484 491229568 /nfs/dbraw/zinc/22/95/68/491229568.db2.gz RRJIMUDTTBFCQN-UHFFFAOYSA-N 2 0 359.390 0.655 20 5 FCBDRP COc1ccc(OCC[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c([N+](=O)[O-])c1 ZINC000420349355 489966344 /nfs/dbraw/zinc/96/63/44/489966344.db2.gz OPGUYYUATOFQDB-CQSZACIVSA-N 2 0 350.419 0.962 20 5 FCBDRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000546776972 490243414 /nfs/dbraw/zinc/24/34/14/490243414.db2.gz XSRZLFJPIIXDTG-UHFFFAOYSA-N 2 0 358.464 0.850 20 5 FCBDRP C[C@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])CN1CC[NH+](C)CC1 ZINC000564855651 491331533 /nfs/dbraw/zinc/33/15/33/491331533.db2.gz GCMDZFWZCHQZLX-HZPDHXFCSA-N 2 0 366.462 0.808 20 5 FCBDRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422980076 490510385 /nfs/dbraw/zinc/51/03/85/490510385.db2.gz KRMDBAGIOYDDJW-STQMWFEESA-N 2 0 356.448 0.851 20 5 FCBDRP COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000609157895 492199262 /nfs/dbraw/zinc/19/92/62/492199262.db2.gz CADTXNFWKVRTTJ-UHFFFAOYSA-N 2 0 374.463 0.717 20 5 FCBDRP [NH3+]CCc1nc(-c2ccccc2)nn1-c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001157903570 1223084205 /nfs/dbraw/zinc/08/42/05/1223084205.db2.gz ZRCVZADIXSEWMJ-UHFFFAOYSA-N 2 0 366.385 0.821 20 5 FCBDRP [NH3+]CCc1nc(-c2ccccc2)nn1-c1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001168713662 1259390257 /nfs/dbraw/zinc/39/02/57/1259390257.db2.gz DIJNYHXXTKIGGF-UHFFFAOYSA-N 2 0 366.385 0.821 20 5 FCBDRP C[NH+]1CCN(CCC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC001120470075 848213136 /nfs/dbraw/zinc/21/31/36/848213136.db2.gz YCAVKEJPOJVGPF-OAHLLOKOSA-N 2 0 352.435 0.562 20 5 FCBDRP C[C@H](Cc1ccccc1[N+](=O)[O-])N(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246921664 857605433 /nfs/dbraw/zinc/60/54/33/857605433.db2.gz SQXJGDZOAFTYJI-CQSZACIVSA-N 2 0 351.451 0.642 20 5 FCBDRP C[C@@H](C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC001353287709 867387856 /nfs/dbraw/zinc/38/78/56/867387856.db2.gz LQZAYOLSMVIBMV-HOCLYGCPSA-N 2 0 352.435 0.560 20 5 FCBDRP CCc1n[nH]c(C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)c1[N+](=O)[O-] ZINC000192566979 209300294 /nfs/dbraw/zinc/30/02/94/209300294.db2.gz MKQBAIRJXPGJJO-UHFFFAOYSA-N 2 0 352.439 0.978 20 5 FCBDRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000374422719 217126949 /nfs/dbraw/zinc/12/69/49/217126949.db2.gz SMHCBEZGXLEROP-BVUBDWEXSA-N 2 0 353.423 0.336 20 5 FCBDRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000422948362 246937796 /nfs/dbraw/zinc/93/77/96/246937796.db2.gz RWTXGIMRHYLPMR-DOMZBBRYSA-N 2 0 356.448 0.851 20 5 FCBDRP COc1cc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000470013581 250020812 /nfs/dbraw/zinc/02/08/12/250020812.db2.gz YOHSYWHAVQKDJP-GFCCVEGCSA-N 2 0 366.418 0.899 20 5 FCBDRP O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000075675899 488398222 /nfs/dbraw/zinc/39/82/22/488398222.db2.gz GBIPPMNKDGIVPE-QGZVFWFLSA-N 2 0 367.450 0.587 20 5 FCBDRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000536858978 490618270 /nfs/dbraw/zinc/61/82/70/490618270.db2.gz PTMFECLNRNMKQQ-IUODEOHRSA-N 2 0 356.448 0.803 20 5 FCBDRP C[NH+](C)C1CCN(CC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000567464111 491507594 /nfs/dbraw/zinc/50/75/94/491507594.db2.gz GMNMCPCNTBDXAW-QGZVFWFLSA-N 2 0 366.462 0.950 20 5 FCBDRP COc1ccc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000609157967 492199147 /nfs/dbraw/zinc/19/91/47/492199147.db2.gz WKBNWLFPKFMXSQ-UHFFFAOYSA-N 2 0 374.463 0.717 20 5 FCBDRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594744543 547004143 /nfs/dbraw/zinc/00/41/43/547004143.db2.gz IXVDXGGSZIYOMX-UHFFFAOYSA-N 2 0 373.479 0.884 20 5 FCBDRP O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000923365023 667827914 /nfs/dbraw/zinc/82/79/14/667827914.db2.gz FGPWHQDJMGOABQ-GJZGRUSLSA-N 2 0 350.419 0.314 20 5 FCBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CCN1CC[NH2+]CC1 ZINC000592472104 1196564045 /nfs/dbraw/zinc/56/40/45/1196564045.db2.gz LOWUTXQJQDECBO-UHFFFAOYSA-N 2 0 365.434 0.769 20 5 FCBDRP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC[C@@H]2C1 ZINC001169026681 1199044023 /nfs/dbraw/zinc/04/40/23/1199044023.db2.gz YRTMXPVHSNIWKJ-QBPKDAKJSA-N 2 0 368.478 0.543 20 5 FCBDRP CCOC(=O)C1(Nc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])CC[NH+](C)CC1 ZINC001169490623 1199070622 /nfs/dbraw/zinc/07/06/22/1199070622.db2.gz FSCMNGLBJZJNRK-UHFFFAOYSA-N 2 0 364.406 0.511 20 5 FCBDRP [NH3+]Cc1nn(-c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])c2ccccc12 ZINC001156856566 1223063190 /nfs/dbraw/zinc/06/31/90/1223063190.db2.gz ZEGBTDDDZAXMDA-UHFFFAOYSA-N 2 0 354.374 0.592 20 5 FCBDRP CN1CCN(C(=O)c2ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc2)CC1 ZINC001234070980 1259556349 /nfs/dbraw/zinc/55/63/49/1259556349.db2.gz WKQLNMSXSMNLRR-MRXNPFEDSA-N 2 0 364.466 0.437 20 5 FCBDRP C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CN(C)CCN1C ZINC001335441983 1259666373 /nfs/dbraw/zinc/66/63/73/1259666373.db2.gz UXRHKJRZYWDSCJ-YSVLISHTSA-N 2 0 352.435 0.558 20 5 FCBDRP COc1nc(N2CC[NH+](CC3CC[NH+](C)CC3)CC2)ncc1[N+](=O)[O-] ZINC001157837219 849998500 /nfs/dbraw/zinc/99/85/00/849998500.db2.gz QAGKJRHNBCUDRH-UHFFFAOYSA-N 2 0 350.423 0.857 20 5 FCBDRP [NH3+]CCN(CC[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)N(O)N=O ZINC001172903149 850716420 /nfs/dbraw/zinc/71/64/20/850716420.db2.gz FLELFEDPEOKOPC-AWEZNQCLSA-N 2 0 352.395 0.980 20 5 FCBDRP C[C@H](C[NH3+])C[NH2+]C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173697154 850734439 /nfs/dbraw/zinc/73/44/39/850734439.db2.gz KNCATCCNOTUYJR-GFCCVEGCSA-N 2 0 356.448 0.932 20 5 FCBDRP C[C@H](C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC001353287704 867388906 /nfs/dbraw/zinc/38/89/06/867388906.db2.gz LQZAYOLSMVIBMV-GDBMZVCRSA-N 2 0 352.435 0.560 20 5 FCBDRP C[C@@H]1C[C@@H](C[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000415089702 245347234 /nfs/dbraw/zinc/34/72/34/245347234.db2.gz ZILMBWLOSSPHFU-OLZOCXBDSA-N 2 0 356.448 0.851 20 5 FCBDRP O=C(NC[C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1)[C@@H]1CCC[NH2+]1 ZINC000261845747 488538261 /nfs/dbraw/zinc/53/82/61/488538261.db2.gz LYFLZJWQBWLMEA-KGLIPLIRSA-N 2 0 350.423 0.372 20 5 FCBDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000125593154 488602397 /nfs/dbraw/zinc/60/23/97/488602397.db2.gz FOPNKTZHKZPCRI-HNNXBMFYSA-N 2 0 366.466 0.974 20 5 FCBDRP Cc1n[nH]c(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC000299585071 489459079 /nfs/dbraw/zinc/45/90/79/489459079.db2.gz PMAAXOIOFPTFSZ-UHFFFAOYSA-N 2 0 373.417 0.963 20 5 FCBDRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000543725314 490943900 /nfs/dbraw/zinc/94/39/00/490943900.db2.gz MOWDLMNYJOMENX-UHFFFAOYSA-N 2 0 372.491 0.892 20 5 FCBDRP C[NH+]1CCC(N2CCC([NH2+]C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000579582044 491700901 /nfs/dbraw/zinc/70/09/01/491700901.db2.gz HWIGTIKJCYKFFF-QGZVFWFLSA-N 2 0 366.466 0.300 20 5 FCBDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000591736273 546939255 /nfs/dbraw/zinc/93/92/55/546939255.db2.gz NAKIGLFMBNLALW-CABCVRRESA-N 2 0 352.435 0.560 20 5 FCBDRP C[NH+](C)CCNc1cc(NCC[NH+](C)C)c([N+](=O)[O-])c(-c2nn[nH]n2)c1 ZINC000825870570 608291212 /nfs/dbraw/zinc/29/12/12/608291212.db2.gz RYBSETWVZVYLHL-UHFFFAOYSA-N 2 0 363.426 0.722 20 5 FCBDRP O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000923366607 667827856 /nfs/dbraw/zinc/82/78/56/667827856.db2.gz NONAYWWITNKNKL-JKSUJKDBSA-N 2 0 350.419 0.314 20 5 FCBDRP C[NH+]1CCN(C(C)(C)C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000591739388 1196526448 /nfs/dbraw/zinc/52/64/48/1196526448.db2.gz MJGUXZGQXWXINL-INIZCTEOSA-N 2 0 366.462 0.950 20 5 FCBDRP O=[N+]([O-])c1c(N2CC[NH2+]CC2)ncnc1N1CCCC[C@]12CCC[NH2+]C2 ZINC001157467919 1223077371 /nfs/dbraw/zinc/07/73/71/1223077371.db2.gz JQJSTBQQTYSDRH-QGZVFWFLSA-N 2 0 361.450 0.907 20 5 FCBDRP [NH3+]Cc1cc(-c2ccncc2)nn1-c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001160344774 1223155953 /nfs/dbraw/zinc/15/59/53/1223155953.db2.gz QPGQCLZHFDJCFN-UHFFFAOYSA-N 2 0 352.358 0.778 20 5 FCBDRP [NH3+]C1([C@H]2CN(c3ncnc(N4CC[NH2+]CC4)c3[N+](=O)[O-])C[C@@H]2CF)CC1 ZINC001165433010 1223246086 /nfs/dbraw/zinc/24/60/86/1223246086.db2.gz VTKDJZDRTKQGET-RYUDHWBXSA-N 2 0 365.413 0.308 20 5 FCBDRP COC(=O)C(C(=O)OC)c1cc(N[C@@H]([NH3+])CCC[NH3+])ccc1[N+](=O)[O-] ZINC001170903254 850669731 /nfs/dbraw/zinc/66/97/31/850669731.db2.gz IPIATXMYYYOIHG-GFCCVEGCSA-N 2 0 354.363 0.460 20 5 FCBDRP C[C@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC001356584439 868029627 /nfs/dbraw/zinc/02/96/27/868029627.db2.gz OKRZFIPWFUPSMN-HUUCEWRRSA-N 2 0 352.435 0.560 20 5 FCBDRP C[NH+]1CCN(CCC[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC001336712606 874028702 /nfs/dbraw/zinc/02/87/02/874028702.db2.gz DNVISQRDRHAHMF-INIZCTEOSA-N 2 0 352.435 0.562 20 5 FCBDRP O=C(NC[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1)[C@@H]1CCC[NH2+]1 ZINC000261675622 209465309 /nfs/dbraw/zinc/46/53/09/209465309.db2.gz CEVVFGNCNFNJSP-ZFWWWQNUSA-N 2 0 350.423 0.372 20 5 FCBDRP C[NH+](C)CCNC(=O)C1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090553841 488460274 /nfs/dbraw/zinc/46/02/74/488460274.db2.gz SEJUOXMLTQNPAS-UHFFFAOYSA-N 2 0 365.434 0.146 20 5 FCBDRP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1 ZINC000562994629 491206786 /nfs/dbraw/zinc/20/67/86/491206786.db2.gz DMTFMTSSBMESEL-IXDOHACOSA-N 2 0 367.450 0.510 20 5 FCBDRP C[NH+]1C[C@H]2CN(c3nc(N4C[C@@H]5C[N@H+](C)C[C@@H]5C4)ccc3[N+](=O)[O-])C[C@H]2C1 ZINC000278273146 488808688 /nfs/dbraw/zinc/80/86/88/488808688.db2.gz AWPBBAGOLNAZFR-GEEKYZPCSA-N 2 0 372.473 0.985 20 5 FCBDRP C[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490653769 489779423 /nfs/dbraw/zinc/77/94/23/489779423.db2.gz YIOFEHCADNPRPT-OIISXLGYSA-N 2 0 366.466 0.110 20 5 FCBDRP O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000592469112 546951759 /nfs/dbraw/zinc/95/17/59/546951759.db2.gz HPYQZYFQUNHGFP-BFHYXJOUSA-N 2 0 368.459 0.851 20 5 FCBDRP CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001155232776 1223030486 /nfs/dbraw/zinc/03/04/86/1223030486.db2.gz PWCQCFGXJBIXLF-ZDUSSCGKSA-N 2 0 366.422 0.615 20 5 FCBDRP O=[N+]([O-])c1c(NCc2noc3c2C[NH2+]CC3)ncnc1N1CC[NH2+]CC1 ZINC001155495906 1223036453 /nfs/dbraw/zinc/03/64/53/1223036453.db2.gz VKAJYROTWKDLED-UHFFFAOYSA-N 2 0 360.378 0.040 20 5 FCBDRP [NH3+]Cc1ccc2ncn(-c3ncnc(N4CC[NH2+]CC4)c3[N+](=O)[O-])c2c1 ZINC001158006899 1223086311 /nfs/dbraw/zinc/08/63/11/1223086311.db2.gz IRZRALRLKDFRIV-UHFFFAOYSA-N 2 0 354.374 0.592 20 5 FCBDRP O=[N+]([O-])c1ccc2c(c1)CC[C@@H](N1CC[NH2+]CCNCC[NH2+]CC1)CC2 ZINC001246820295 1259690364 /nfs/dbraw/zinc/69/03/64/1259690364.db2.gz JQOHIGXTCBWGFS-SFHVURJKSA-N 2 0 361.490 0.927 20 5 FCBDRP C[NH+]1CCN(C2CN(C(=O)c3ccc([N+](=O)[O-])c(-n4ccnc4)c3)C2)CC1 ZINC001332562863 1266430407 /nfs/dbraw/zinc/43/04/07/1266430407.db2.gz GGKOVGKLSNVAAF-UHFFFAOYSA-N 2 0 370.413 0.852 20 5 FCBDRP [NH3+]CC1CCC([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000422932490 246934717 /nfs/dbraw/zinc/93/47/17/246934717.db2.gz FYOKJESFAXABLJ-UHFFFAOYSA-N 2 0 356.448 0.980 20 5 FCBDRP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000569962450 491206566 /nfs/dbraw/zinc/20/65/66/491206566.db2.gz YCGLOZIIOJHFON-OAGGEKHMSA-N 2 0 353.423 0.120 20 5 FCBDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000165886486 488811675 /nfs/dbraw/zinc/81/16/75/488811675.db2.gz RXWPJDFKJQQFFG-CYBMUJFWSA-N 2 0 352.439 0.816 20 5 FCBDRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000420455962 489980635 /nfs/dbraw/zinc/98/06/35/489980635.db2.gz MSTIDRAIOLNADE-UHFFFAOYSA-N 2 0 350.828 0.937 20 5 FCBDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000540922373 490840057 /nfs/dbraw/zinc/84/00/57/490840057.db2.gz XFGJSODYJQVYAE-UHFFFAOYSA-N 2 0 352.391 0.889 20 5 FCBDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000567043361 491482232 /nfs/dbraw/zinc/48/22/32/491482232.db2.gz RSCFWAPVMLWSKO-HOCLYGCPSA-N 2 0 354.455 0.015 20 5 FCBDRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC001120588711 1222106814 /nfs/dbraw/zinc/10/68/14/1222106814.db2.gz CMYRYFISOZUOLS-HOTGVXAUSA-N 2 0 366.462 0.950 20 5 FCBDRP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC001325844317 870056819 /nfs/dbraw/zinc/05/68/19/870056819.db2.gz QCPPOKFXZBRODZ-CZUORRHYSA-N 2 0 353.423 0.243 20 5 FCBDRP [NH3+]CC(=O)N1CCC[C@@H](C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000414703740 245313713 /nfs/dbraw/zinc/31/37/13/245313713.db2.gz LWZDJBLXSSLSNS-HNNXBMFYSA-N 2 0 361.446 0.914 20 5 FCBDRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000374422724 217127821 /nfs/dbraw/zinc/12/78/21/217127821.db2.gz SMHCBEZGXLEROP-SLBVQIDZSA-N 2 0 353.423 0.336 20 5 FCBDRP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1 ZINC000562994615 491206508 /nfs/dbraw/zinc/20/65/08/491206508.db2.gz DMTFMTSSBMESEL-BRWVUGGUSA-N 2 0 367.450 0.510 20 5 FCBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430627791 489758154 /nfs/dbraw/zinc/75/81/54/489758154.db2.gz NOHBPXHUFUKYBK-UHFFFAOYSA-N 2 0 363.418 0.595 20 5 FCBDRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000422932332 490499945 /nfs/dbraw/zinc/49/99/45/490499945.db2.gz FNLNJQHZZHFVKI-SWLSCSKDSA-N 2 0 356.448 0.851 20 5 FCBDRP C[N@@H+]1CCN(CC[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000564863542 491331894 /nfs/dbraw/zinc/33/18/94/491331894.db2.gz IHLHZKUKPWBLBI-INIZCTEOSA-N 2 0 366.462 0.950 20 5 FCBDRP C[NH2+]C[C@](C)(O)C[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000518781700 490951214 /nfs/dbraw/zinc/95/12/14/490951214.db2.gz SBGRUYXVHYMNDA-KRWDZBQOSA-N 2 0 362.434 0.954 20 5 FCBDRP Cc1cc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000560686599 491552433 /nfs/dbraw/zinc/55/24/33/491552433.db2.gz VWUONHKYSHPZLD-UHFFFAOYSA-N 2 0 365.434 0.794 20 5 FCBDRP O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000592439056 546950467 /nfs/dbraw/zinc/95/04/67/546950467.db2.gz YTUWLUUTKZKPPS-BFHYXJOUSA-N 2 0 368.459 0.851 20 5 FCBDRP C[NH+]1CCN(C(C)(C)C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000591739440 1196526096 /nfs/dbraw/zinc/52/60/96/1196526096.db2.gz VHIYILQXLXLVFZ-OAHLLOKOSA-N 2 0 366.462 0.950 20 5 FCBDRP C[NH+]1CCN(C(C)(C)C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000591739439 1196526389 /nfs/dbraw/zinc/52/63/89/1196526389.db2.gz VHIYILQXLXLVFZ-HNNXBMFYSA-N 2 0 366.462 0.950 20 5 FCBDRP [NH3+]CC[C@H]1CC[N@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000923489611 1245725245 /nfs/dbraw/zinc/72/52/45/1245725245.db2.gz PXJRQFGXJLWOAF-HNNXBMFYSA-N 2 0 361.446 0.914 20 5 FCBDRP CC[NH+]1CCN([C@@H](C)C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC001335351830 1259620732 /nfs/dbraw/zinc/62/07/32/1259620732.db2.gz PSFDLRUTQJBRFW-HOTGVXAUSA-N 2 0 366.462 0.950 20 5 FCBDRP C[NH+](C)C[C@@H]1CN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@H]1C[NH+](C)C ZINC001591021516 1284077003 /nfs/dbraw/zinc/07/70/03/1284077003.db2.gz OCVQOXWYDJIUAR-ZIAGYGMSSA-N 2 0 374.449 0.951 20 5 FCBDRP COc1ncnc(N2CC[NH+](CC3CC[NH+](C)CC3)CC2)c1[N+](=O)[O-] ZINC001157837951 849999786 /nfs/dbraw/zinc/99/97/86/849999786.db2.gz KNAYGWSXMOFTHO-UHFFFAOYSA-N 2 0 350.423 0.857 20 5 FCBDRP C[C@@H](C[NH3+])C[NH2+]C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173697160 850734606 /nfs/dbraw/zinc/73/46/06/850734606.db2.gz KNCATCCNOTUYJR-LBPRGKRZSA-N 2 0 356.448 0.932 20 5 FCBDRP C[C@H](C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC001356584408 868029572 /nfs/dbraw/zinc/02/95/72/868029572.db2.gz OKRZFIPWFUPSMN-CABCVRRESA-N 2 0 352.435 0.560 20 5 FCBDRP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000075639714 208061514 /nfs/dbraw/zinc/06/15/14/208061514.db2.gz VSJNBKMWJDYSTD-INIZCTEOSA-N 2 0 353.423 0.196 20 5 FCBDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000299699678 488868589 /nfs/dbraw/zinc/86/85/89/488868589.db2.gz ZEEZVJWPYNSJHK-AWEZNQCLSA-N 2 0 352.439 0.666 20 5 FCBDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000130617475 488639223 /nfs/dbraw/zinc/63/92/23/488639223.db2.gz CFUDVJFBJVGONI-UHFFFAOYSA-N 2 0 351.407 0.485 20 5 FCBDRP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000173962947 488846550 /nfs/dbraw/zinc/84/65/50/488846550.db2.gz FBVWPSYMTPBWMS-INIZCTEOSA-N 2 0 367.450 0.729 20 5 FCBDRP C[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490653767 489779284 /nfs/dbraw/zinc/77/92/84/489779284.db2.gz YIOFEHCADNPRPT-DJIMGWMZSA-N 2 0 366.466 0.110 20 5 FCBDRP C[NH2+]C[C@H](C)CNc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000420189045 489945974 /nfs/dbraw/zinc/94/59/74/489945974.db2.gz FSUKSGSOPUPQOD-LBPRGKRZSA-N 2 0 373.479 0.702 20 5 FCBDRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000420445368 489978204 /nfs/dbraw/zinc/97/82/04/489978204.db2.gz ACBDULZKEFSQAB-UHFFFAOYSA-N 2 0 374.419 0.054 20 5 FCBDRP COC(=O)c1ccc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])cc1[N+](=O)[O-] ZINC000420460109 489981519 /nfs/dbraw/zinc/98/15/19/489981519.db2.gz RTJKQONQPDLYLE-UHFFFAOYSA-N 2 0 374.419 0.070 20 5 FCBDRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000536858970 490618773 /nfs/dbraw/zinc/61/87/73/490618773.db2.gz PTMFECLNRNMKQQ-DOMZBBRYSA-N 2 0 356.448 0.803 20 5 FCBDRP CC(C)[C@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)N1CC[NH+](C)CC1 ZINC000574444904 491497077 /nfs/dbraw/zinc/49/70/77/491497077.db2.gz HJZGNPCDQANHLG-HOTGVXAUSA-N 2 0 354.455 0.014 20 5 FCBDRP CN1CCN(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000575309668 491548090 /nfs/dbraw/zinc/54/80/90/491548090.db2.gz SHQLDGBHVPCVCK-JTQLQIEISA-N 2 0 369.809 0.079 20 5 FCBDRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000592424444 1196619805 /nfs/dbraw/zinc/61/98/05/1196619805.db2.gz NUFVJBHXINGBPS-LBPRGKRZSA-N 2 0 364.402 0.653 20 5 FCBDRP [NH3+]CCc1cn(-c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])c2cc[nH+]cc12 ZINC001160944561 1223181741 /nfs/dbraw/zinc/18/17/41/1223181741.db2.gz REWBFQYDMAUPDT-UHFFFAOYSA-N 3 0 368.401 0.635 20 5 FCBDRP C[N@@H+]1CCCN(CCC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC001335366435 1259628234 /nfs/dbraw/zinc/62/82/34/1259628234.db2.gz HCAAPHXEVCKSOO-QGZVFWFLSA-N 2 0 366.462 0.952 20 5 FCBDRP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001580281860 1278085197 /nfs/dbraw/zinc/08/51/97/1278085197.db2.gz VUQNYDPQAYPJNH-JKSUJKDBSA-N 2 0 350.419 0.948 20 5 FCBDRP C[NH+](C)C[C@H]1Cn2ccnc2CN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C1 ZINC001164735326 720536013 /nfs/dbraw/zinc/53/60/13/720536013.db2.gz OZGUHQJWSQPHRB-LBPRGKRZSA-N 2 0 372.433 0.466 20 5 FCBDRP COc1ccc(C[C@H](C)[NH2+]CCN(CC[NH3+])N(O)N=O)c([N+](=O)[O-])c1 ZINC001170318319 850651265 /nfs/dbraw/zinc/65/12/65/850651265.db2.gz OVTFAOBHEVFLPX-NSHDSACASA-N 2 0 356.383 0.672 20 5 FCBDRP C[C@@H](C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC001353287707 867388295 /nfs/dbraw/zinc/38/82/95/867388295.db2.gz LQZAYOLSMVIBMV-GOEBONIOSA-N 2 0 352.435 0.560 20 5 FCBDRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000422948503 246937349 /nfs/dbraw/zinc/93/73/49/246937349.db2.gz SALKVAKOMANAOR-WFASDCNBSA-N 2 0 356.448 0.980 20 5 FCBDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000299712117 488869533 /nfs/dbraw/zinc/86/95/33/488869533.db2.gz ISVUQAGTHFPCLK-AWEZNQCLSA-N 2 0 352.439 0.666 20 5 FCBDRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000104102677 488504121 /nfs/dbraw/zinc/50/41/21/488504121.db2.gz GSXVMRFIRCUYKD-UHFFFAOYSA-N 2 0 362.427 0.848 20 5 FCBDRP O=C(NC[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1)[C@H]1CCC[NH2+]1 ZINC000261675620 488529694 /nfs/dbraw/zinc/52/96/94/488529694.db2.gz CEVVFGNCNFNJSP-UKRRQHHQSA-N 2 0 350.423 0.372 20 5 FCBDRP C[NH+](C)CCNC(=O)c1cc(C(=O)NCC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000274192075 488689394 /nfs/dbraw/zinc/68/93/94/488689394.db2.gz QJNKUTPYJPIUHZ-UHFFFAOYSA-N 2 0 351.407 0.178 20 5 FCBDRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000420445410 489978128 /nfs/dbraw/zinc/97/81/28/489978128.db2.gz AFFSTSZIXFVJTG-UHFFFAOYSA-N 2 0 367.431 0.831 20 5 FCBDRP COc1cc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000531832193 490976112 /nfs/dbraw/zinc/97/61/12/490976112.db2.gz VAHGIGPSAJRONK-UHFFFAOYSA-N 2 0 374.463 0.717 20 5 FCBDRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000582900487 491831133 /nfs/dbraw/zinc/83/11/33/491831133.db2.gz OXYOXAACNZNDHO-HOCLYGCPSA-N 2 0 352.435 0.560 20 5 FCBDRP COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000619481746 492264832 /nfs/dbraw/zinc/26/48/32/492264832.db2.gz CVYJVNCANDNHJQ-UHFFFAOYSA-N 2 0 374.463 0.717 20 5 FCBDRP C[N@@H+]1CCN(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])C2(CCCC2)C1 ZINC001158408744 1223096834 /nfs/dbraw/zinc/09/68/34/1223096834.db2.gz OKBQEVAWJZFRMH-UHFFFAOYSA-N 2 0 361.450 0.859 20 5 FCBDRP CCOC1(OCC)CC[NH2+]C[C@H]1Nc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001162728643 1223218957 /nfs/dbraw/zinc/21/89/57/1223218957.db2.gz DNSOKYWZQTUZBA-GFCCVEGCSA-N 2 0 366.422 0.615 20 5 FCBDRP Cc1cc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC001338064500 1260549444 /nfs/dbraw/zinc/54/94/44/1260549444.db2.gz SAWLMLLFGVZQBW-UHFFFAOYSA-N 2 0 365.434 0.794 20 5 FCBDRP C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001164931595 721890640 /nfs/dbraw/zinc/89/06/40/721890640.db2.gz FQEDYGOHUVWBNO-KBPBESRZSA-N 2 0 361.450 0.286 20 5 FCBDRP CCOC(=O)COc1ncc(NC(=[NH2+])NCCCC[NH3+])cc1[N+](=O)[O-] ZINC001167878464 850560663 /nfs/dbraw/zinc/56/06/63/850560663.db2.gz LRWMJVHUVHRUSD-UHFFFAOYSA-N 2 0 354.367 0.607 20 5 FCBDRP CC[NH+]1CCN(CC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC001356569175 868027135 /nfs/dbraw/zinc/02/71/35/868027135.db2.gz LTRXYPUWXRPJBS-OAHLLOKOSA-N 2 0 352.435 0.562 20 5 FCBDRP C[C@H]1C[C@@H](C[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000415089704 245345234 /nfs/dbraw/zinc/34/52/34/245345234.db2.gz ZILMBWLOSSPHFU-STQMWFEESA-N 2 0 356.448 0.851 20 5 FCBDRP [NH3+]C1(CNC(=O)Cn2cc([N+](=O)[O-])cn2)CC[NH+](Cc2ccccc2)CC1 ZINC000424018091 247160353 /nfs/dbraw/zinc/16/03/53/247160353.db2.gz IIMUWHKVTFZLBT-UHFFFAOYSA-N 2 0 372.429 0.901 20 5 FCBDRP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000569962452 491206705 /nfs/dbraw/zinc/20/67/05/491206705.db2.gz YCGLOZIIOJHFON-PMPSAXMXSA-N 2 0 353.423 0.120 20 5 FCBDRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000162106694 488800877 /nfs/dbraw/zinc/80/08/77/488800877.db2.gz RMQQPVSGFDHEHE-DOMZBBRYSA-N 2 0 356.448 0.803 20 5 FCBDRP C[C@@H](CNc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-])[NH+](C)C ZINC000298327594 489317568 /nfs/dbraw/zinc/31/75/68/489317568.db2.gz VKHXSKXXXBXDHK-LBPRGKRZSA-N 2 0 373.479 0.797 20 5 FCBDRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422980075 490510304 /nfs/dbraw/zinc/51/03/04/490510304.db2.gz KRMDBAGIOYDDJW-QWHCGFSZSA-N 2 0 356.448 0.851 20 5 FCBDRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422980073 490510460 /nfs/dbraw/zinc/51/04/60/490510460.db2.gz KRMDBAGIOYDDJW-CHWSQXEVSA-N 2 0 356.448 0.851 20 5 FCBDRP Cc1nn(CCC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000530879912 490929725 /nfs/dbraw/zinc/92/97/25/490929725.db2.gz GPXJAYIXNBBVHN-UHFFFAOYSA-N 2 0 354.455 0.750 20 5 FCBDRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000518781701 490951427 /nfs/dbraw/zinc/95/14/27/490951427.db2.gz SBGRUYXVHYMNDA-QGZVFWFLSA-N 2 0 362.434 0.954 20 5 FCBDRP C[N@@H+]1CCN(CC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000578007423 491667713 /nfs/dbraw/zinc/66/77/13/491667713.db2.gz POYFMGAQGNDVKK-HNNXBMFYSA-N 2 0 366.462 0.950 20 5 FCBDRP O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000592439060 546950480 /nfs/dbraw/zinc/95/04/80/546950480.db2.gz YTUWLUUTKZKPPS-MELADBBJSA-N 2 0 368.459 0.851 20 5 FCBDRP O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000592469113 546952003 /nfs/dbraw/zinc/95/20/03/546952003.db2.gz HPYQZYFQUNHGFP-HZSPNIEDSA-N 2 0 368.459 0.851 20 5 FCBDRP O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000923366601 667828038 /nfs/dbraw/zinc/82/80/38/667828038.db2.gz NONAYWWITNKNKL-CVEARBPZSA-N 2 0 350.419 0.314 20 5 FCBDRP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000866711019 1210004007 /nfs/dbraw/zinc/00/40/07/1210004007.db2.gz ZSMBEGVSNHMBIV-BJJXKVORSA-N 2 0 362.386 0.841 20 5 FCBDRP [NH3+]C[C@@H](CO)c1ccc(Nc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])cc1 ZINC001163049842 1223224917 /nfs/dbraw/zinc/22/49/17/1223224917.db2.gz GWHBVAZESRCDAB-ZDUSSCGKSA-N 2 0 373.417 0.573 20 5 FCBDRP [NH3+]C1([C@@H]2CN(c3ncnc(N4CC[NH2+]CC4)c3[N+](=O)[O-])C[C@@H]2CF)CC1 ZINC001165433009 1223246098 /nfs/dbraw/zinc/24/60/98/1223246098.db2.gz VTKDJZDRTKQGET-NWDGAFQWSA-N 2 0 365.413 0.308 20 5 FCBDRP O=C([C@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1)N1CC[NH2+]CC1 ZINC000923283767 1245705804 /nfs/dbraw/zinc/70/58/04/1245705804.db2.gz YCVKKXNNEBRXSK-RDJZCZTQSA-N 2 0 362.430 0.772 20 5 FCBDRP C[C@@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC001356584823 868029683 /nfs/dbraw/zinc/02/96/83/868029683.db2.gz OKRZFIPWFUPSMN-LSDHHAIUSA-N 2 0 352.435 0.560 20 5 FCBDRP COC(=O)COc1ccc(C[NH2+]CCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000414881780 245331150 /nfs/dbraw/zinc/33/11/50/245331150.db2.gz LMGFRFJTMBBIGK-UHFFFAOYSA-N 2 0 352.391 0.141 20 5 FCBDRP C[C@@H]1C[C@H](C[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000415089701 245344047 /nfs/dbraw/zinc/34/40/47/245344047.db2.gz ZILMBWLOSSPHFU-CHWSQXEVSA-N 2 0 356.448 0.851 20 5 FCBDRP [NH3+]C1(CNC(=O)Cn2ccc([N+](=O)[O-])n2)CC[NH+](Cc2ccccc2)CC1 ZINC000424016667 247160988 /nfs/dbraw/zinc/16/09/88/247160988.db2.gz CYLZOQOWXCXJBB-UHFFFAOYSA-N 2 0 372.429 0.901 20 5 FCBDRP O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000075639711 208060762 /nfs/dbraw/zinc/06/07/62/208060762.db2.gz VSJNBKMWJDYSTD-MRXNPFEDSA-N 2 0 353.423 0.196 20 5 FCBDRP C[NH+](C)CCNc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000121240246 488565668 /nfs/dbraw/zinc/56/56/68/488565668.db2.gz DITFMXBLPBWXEX-UHFFFAOYSA-N 2 0 359.452 0.408 20 5 FCBDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000165886604 488811477 /nfs/dbraw/zinc/81/14/77/488811477.db2.gz RXWPJDFKJQQFFG-ZDUSSCGKSA-N 2 0 352.439 0.816 20 5 FCBDRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000420449414 489978903 /nfs/dbraw/zinc/97/89/03/489978903.db2.gz GGCKAKCCQQJEKN-UHFFFAOYSA-N 2 0 350.828 0.937 20 5 FCBDRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000536828199 490619641 /nfs/dbraw/zinc/61/96/41/490619641.db2.gz RMQQPVSGFDHEHE-IUODEOHRSA-N 2 0 356.448 0.803 20 5 FCBDRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000578535638 491679344 /nfs/dbraw/zinc/67/93/44/491679344.db2.gz LJXPYJHIEBJSTL-QWHCGFSZSA-N 2 0 356.448 0.803 20 5 FCBDRP O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000592471113 546951613 /nfs/dbraw/zinc/95/16/13/546951613.db2.gz YOXFPDFWOOUQBK-MGPQQGTHSA-N 2 0 368.459 0.851 20 5 FCBDRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000780848999 668490686 /nfs/dbraw/zinc/49/06/86/668490686.db2.gz IORBIKHFIYXRDX-UHFFFAOYSA-N 2 0 371.463 0.636 20 5 FCBDRP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC[C@@H]2C1 ZINC001169026683 1199045213 /nfs/dbraw/zinc/04/52/13/1199045213.db2.gz YRTMXPVHSNIWKJ-WCXIOVBPSA-N 2 0 368.478 0.543 20 5 FCBDRP [NH3+]CC(=O)N1CCC[C@H](C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000841005985 1222805038 /nfs/dbraw/zinc/80/50/38/1222805038.db2.gz PKVNJYCZOUTHPC-OAHLLOKOSA-N 2 0 361.446 0.914 20 5 FCBDRP O=[N+]([O-])c1c(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)ncnc1N1CC[NH2+]CC1 ZINC001155621513 1223040310 /nfs/dbraw/zinc/04/03/10/1223040310.db2.gz WQILQKCDGZCURN-BLLLJJGKSA-N 2 0 363.422 0.117 20 5 FCBDRP CCOC(=O)C1(Nc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CC[NH+](C)CC1 ZINC001158573581 1223102418 /nfs/dbraw/zinc/10/24/18/1223102418.db2.gz JBLOSJZHRBXCMN-UHFFFAOYSA-N 2 0 364.406 0.511 20 5 FCBDRP [NH3+]CCc1cn(-c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])c2cccnc12 ZINC001158745739 1223106804 /nfs/dbraw/zinc/10/68/04/1223106804.db2.gz KTKOKXAWINALHC-UHFFFAOYSA-N 2 0 368.401 0.635 20 5 FCBDRP [NH3+][C@H]1CC[C@H](N=c2cnccn2-c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CC1 ZINC001161301058 1223194639 /nfs/dbraw/zinc/19/46/39/1223194639.db2.gz KNORRNABCHPSBK-JOCQHMNTSA-N 2 0 370.417 0.428 20 5 FCBDRP COc1ccc(C[C@H](C)N2CC[NH2+]CCNCC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001246818981 1259690229 /nfs/dbraw/zinc/69/02/29/1259690229.db2.gz FHNYKAPYVMSTRE-HNNXBMFYSA-N 2 0 365.478 0.619 20 5 FCBDRP CS(=O)(=O)c1ccc(N(CC[NH3+])C[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001579350497 1277206465 /nfs/dbraw/zinc/20/64/65/1277206465.db2.gz QIXRIUBOYOZNFC-GFCCVEGCSA-N 2 0 356.448 0.763 20 5 FCBDRP C[NH+]1CCN(CCC[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001262558280 859000062 /nfs/dbraw/zinc/00/00/62/859000062.db2.gz ZTTFEAQYYUZSHN-UHFFFAOYSA-N 2 0 370.475 0.596 20 5 FCBDRP CC[NH+]1CCN(CC[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC001336734656 874033611 /nfs/dbraw/zinc/03/36/11/874033611.db2.gz YNKKVRWYNWFDME-INIZCTEOSA-N 2 0 352.435 0.562 20 5 FCBDRP C[NH+](C)CC1(O)CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000931489003 674117534 /nfs/dbraw/zinc/11/75/34/674117534.db2.gz XGNRPKLPIXJSJS-OAHLLOKOSA-N 2 0 353.419 0.723 20 5 FCBDRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000104102335 488504271 /nfs/dbraw/zinc/50/42/71/488504271.db2.gz HXIJVKXVCIJLBY-UHFFFAOYSA-N 2 0 358.464 0.850 20 5 FCBDRP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000569962451 491206607 /nfs/dbraw/zinc/20/66/07/491206607.db2.gz YCGLOZIIOJHFON-OWCLPIDISA-N 2 0 353.423 0.120 20 5 FCBDRP Cc1nc([N+](=O)[O-])cn1CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000299435652 489441600 /nfs/dbraw/zinc/44/16/00/489441600.db2.gz SFSZMWDHTYSLOD-UHFFFAOYSA-N 2 0 354.455 0.832 20 5 FCBDRP COc1ccc(OCC[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430621451 489755867 /nfs/dbraw/zinc/75/58/67/489755867.db2.gz JUHKMFAQDGJBKZ-ZDUSSCGKSA-N 2 0 366.418 0.769 20 5 FCBDRP O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](CCN4CC[NH2+]CC4)CC3)nc2c1 ZINC000566245825 491430133 /nfs/dbraw/zinc/43/01/33/491430133.db2.gz VEZZAMUFKBVWJN-UHFFFAOYSA-N 2 0 373.461 0.888 20 5 FCBDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000582900488 491831384 /nfs/dbraw/zinc/83/13/84/491831384.db2.gz OXYOXAACNZNDHO-ZBFHGGJFSA-N 2 0 352.435 0.560 20 5 FCBDRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000842482422 670693810 /nfs/dbraw/zinc/69/38/10/670693810.db2.gz VNECZBFZGYKQBY-UHFFFAOYSA-N 2 0 350.828 0.937 20 5 FCBDRP C[NH+]1CCN(C(C)(C)C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000591739390 1196526243 /nfs/dbraw/zinc/52/62/43/1196526243.db2.gz MJGUXZGQXWXINL-MRXNPFEDSA-N 2 0 366.462 0.950 20 5 FCBDRP O=[N+]([O-])c1cnc(N(c2cnccn2)C2CC[NH2+]CC2)nc1C1C[NH2+]C1 ZINC001157544053 1223078528 /nfs/dbraw/zinc/07/85/28/1223078528.db2.gz CPWHXXNIGSOYOV-UHFFFAOYSA-N 2 0 356.390 0.752 20 5 FCBDRP CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001162728644 1223218945 /nfs/dbraw/zinc/21/89/45/1223218945.db2.gz DNSOKYWZQTUZBA-LBPRGKRZSA-N 2 0 366.422 0.615 20 5 FCBDRP COC(=O)c1ccc([C@@H]([NH3+])CNc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)cc1 ZINC001163465807 1223230957 /nfs/dbraw/zinc/23/09/57/1223230957.db2.gz IOMFCPSTEVZJSU-ZDUSSCGKSA-N 2 0 372.385 0.970 20 5 FCBDRP O=[N+]([O-])c1c(N2CC[NH2+]CC2)ncnc1N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001166899918 1223288712 /nfs/dbraw/zinc/28/87/12/1223288712.db2.gz AMCABVBGWULQAE-CQSZACIVSA-N 2 0 361.450 0.763 20 5 FCBDRP C[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001327977892 1265466162 /nfs/dbraw/zinc/46/61/62/1265466162.db2.gz KIPQSDNVVTWCGG-QGZVFWFLSA-N 2 0 374.445 0.694 20 5 FCBDRP C[NH+]1CCN(c2ccccc2C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001327977890 1265466180 /nfs/dbraw/zinc/46/61/80/1265466180.db2.gz KIPQSDNVVTWCGG-KRWDZBQOSA-N 2 0 374.445 0.694 20 5 FCBDRP O=C(NC[C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1)[C@H]1CCC[NH2+]1 ZINC000261845750 488538098 /nfs/dbraw/zinc/53/80/98/488538098.db2.gz LYFLZJWQBWLMEA-ZIAGYGMSSA-N 2 0 350.423 0.372 20 5 FCBDRP Cc1c(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000130619102 488639476 /nfs/dbraw/zinc/63/94/76/488639476.db2.gz QVZBNMIPCKVJHR-UHFFFAOYSA-N 2 0 365.434 0.794 20 5 FCBDRP C[NH+](C)CCNS(=O)(=O)c1ccc(N2CC([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000273345335 488645243 /nfs/dbraw/zinc/64/52/43/488645243.db2.gz UIQQODXYSQIKHT-UHFFFAOYSA-N 2 0 371.463 0.185 20 5 FCBDRP C[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490653768 489779550 /nfs/dbraw/zinc/77/95/50/489779550.db2.gz YIOFEHCADNPRPT-HYVNUMGLSA-N 2 0 366.466 0.110 20 5 FCBDRP COc1c(F)cc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])cc1[N+](=O)[O-] ZINC000420447898 489977999 /nfs/dbraw/zinc/97/79/99/489977999.db2.gz DBWVEQGCWOFQOD-UHFFFAOYSA-N 2 0 364.399 0.431 20 5 FCBDRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000420449363 489978929 /nfs/dbraw/zinc/97/89/29/489978929.db2.gz GDUBAFLBOYXDGE-UHFFFAOYSA-N 2 0 350.828 0.937 20 5 FCBDRP [NH3+]C[C@H]1COc2ccccc2N1c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001160195570 1223149921 /nfs/dbraw/zinc/14/99/21/1223149921.db2.gz NXLDZYSDCZZTGF-LBPRGKRZSA-N 2 0 371.401 0.652 20 5 FCBDRP O=[N+]([O-])c1c(NC[C@@H]2Cc3ccccc3C[NH2+]2)ncnc1N1CC[NH2+]CC1 ZINC001163271926 1223228646 /nfs/dbraw/zinc/22/86/46/1223228646.db2.gz LDGRWIJUAXOANW-HNNXBMFYSA-N 2 0 369.429 0.921 20 5 FCBDRP CC[NH+]1CCN([C@H](C)C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC001335351831 1259621416 /nfs/dbraw/zinc/62/14/16/1259621416.db2.gz PSFDLRUTQJBRFW-HZPDHXFCSA-N 2 0 366.462 0.950 20 5 FCBDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001335986295 1259931344 /nfs/dbraw/zinc/93/13/44/1259931344.db2.gz MPASHHFLSLYDDE-NVXWUHKLSA-N 2 0 366.462 0.950 20 5 FCBDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC001340387507 1268531248 /nfs/dbraw/zinc/53/12/48/1268531248.db2.gz NEQRNZOJBUNYFL-UHFFFAOYSA-N 2 0 365.434 0.163 20 5 FCBDRP C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001164931598 721890674 /nfs/dbraw/zinc/89/06/74/721890674.db2.gz FQEDYGOHUVWBNO-ZIAGYGMSSA-N 2 0 361.450 0.286 20 5 FCBDRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000374422723 217127328 /nfs/dbraw/zinc/12/73/28/217127328.db2.gz SMHCBEZGXLEROP-MIGQKNRLSA-N 2 0 353.423 0.336 20 5 FCBDRP CN(CC[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O)C1CC[NH+](C)CC1 ZINC000089269379 208121022 /nfs/dbraw/zinc/12/10/22/208121022.db2.gz FUZAZNFQTOHEFR-UHFFFAOYSA-N 2 0 351.451 0.714 20 5 FCBDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000476355014 489881848 /nfs/dbraw/zinc/88/18/48/489881848.db2.gz LSKMRJJLJSTPJH-CYBMUJFWSA-N 2 0 352.439 0.816 20 5 FCBDRP Cn1nc([N+](=O)[O-])cc1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000476355974 489882030 /nfs/dbraw/zinc/88/20/30/489882030.db2.gz RMFPIUVHXIPCCO-UHFFFAOYSA-N 2 0 373.417 0.665 20 5 FCBDRP C[C@H](C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)CN1CC[NH+](C)CC1 ZINC000520797811 490190662 /nfs/dbraw/zinc/19/06/62/490190662.db2.gz KFVACDUZMBVBRQ-WBVHZDCISA-N 2 0 366.462 0.808 20 5 FCBDRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000422948501 490504724 /nfs/dbraw/zinc/50/47/24/490504724.db2.gz SALKVAKOMANAOR-IUODEOHRSA-N 2 0 356.448 0.980 20 5 FCBDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000525930025 490654733 /nfs/dbraw/zinc/65/47/33/490654733.db2.gz DKKSNIQFWRVFET-UHFFFAOYSA-N 2 0 369.397 0.624 20 5 FCBDRP C[NH+](C)C1CCN(CC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000581938716 491790911 /nfs/dbraw/zinc/79/09/11/491790911.db2.gz QEBUKDZOPVKEKK-MRXNPFEDSA-N 2 0 366.462 0.950 20 5 FCBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CCN1CC[NH2+]CC1 ZINC000592472270 1196625558 /nfs/dbraw/zinc/62/55/58/1196625558.db2.gz QRABKMKMYMQDDY-UHFFFAOYSA-N 2 0 365.434 0.769 20 5 FCBDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC001120588710 1222106333 /nfs/dbraw/zinc/10/63/33/1222106333.db2.gz CMYRYFISOZUOLS-CVEARBPZSA-N 2 0 366.462 0.950 20 5 FCBDRP [NH3+]CC(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000841005984 1222805171 /nfs/dbraw/zinc/80/51/71/1222805171.db2.gz PKVNJYCZOUTHPC-HNNXBMFYSA-N 2 0 361.446 0.914 20 5 FCBDRP [NH3+][C@H]1Cc2ccccc2N(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])C1 ZINC001155298952 1223032522 /nfs/dbraw/zinc/03/25/22/1223032522.db2.gz ZNYBKWOJUMBSLH-ZDUSSCGKSA-N 2 0 355.402 0.816 20 5 FCBDRP O=[N+]([O-])c1c(N2CC[NH2+]CC2)ncnc1N1CCC2(CCCC[NH2+]2)CC1 ZINC001165246353 1223243690 /nfs/dbraw/zinc/24/36/90/1223243690.db2.gz ISABZIRRBSOWKB-UHFFFAOYSA-N 2 0 361.450 0.907 20 5 FCBDRP [NH3+]CCOCCOCCOCCOCC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168990518 850600886 /nfs/dbraw/zinc/60/08/86/850600886.db2.gz ZZBAEGVVFIMOCH-CVEARBPZSA-N 2 0 363.455 0.047 20 5 FCBDRP O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC([NH2+][C@H]2CC23C[NH2+]C3)CC1 ZINC001246452150 857580574 /nfs/dbraw/zinc/58/05/74/857580574.db2.gz QOCAPSQTMJDUAW-HNNXBMFYSA-N 2 0 366.443 0.699 20 5 FCBDRP Cc1nn(C)c(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000264918131 210015250 /nfs/dbraw/zinc/01/52/50/210015250.db2.gz PCRCWPDJAJYIQD-UHFFFAOYSA-N 2 0 354.455 0.982 20 5 FCBDRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1[nH]ncc1[N+](=O)[O-] ZINC000270723579 211255068 /nfs/dbraw/zinc/25/50/68/211255068.db2.gz ROXVZCBHGWVEHY-UHFFFAOYSA-N 2 0 359.390 0.655 20 5 FCBDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000299699679 488868493 /nfs/dbraw/zinc/86/84/93/488868493.db2.gz ZEEZVJWPYNSJHK-CQSZACIVSA-N 2 0 352.439 0.666 20 5 FCBDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000125592942 488602625 /nfs/dbraw/zinc/60/26/25/488602625.db2.gz FOPNKTZHKZPCRI-OAHLLOKOSA-N 2 0 366.466 0.974 20 5 FCBDRP O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(CC[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000420321769 489962673 /nfs/dbraw/zinc/96/26/73/489962673.db2.gz RQKZQPNWGDRCKR-AWEZNQCLSA-N 2 0 368.459 0.901 20 5 FCBDRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)CC1 ZINC000535582145 490504239 /nfs/dbraw/zinc/50/42/39/490504239.db2.gz PDMMZDFZJQUUMW-INIZCTEOSA-N 2 0 363.462 0.857 20 5 FCBDRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422980074 490509800 /nfs/dbraw/zinc/50/98/00/490509800.db2.gz KRMDBAGIOYDDJW-OLZOCXBDSA-N 2 0 356.448 0.851 20 5 FCBDRP C[NH+](C)CCN1CCC([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000514933709 490798795 /nfs/dbraw/zinc/79/87/95/490798795.db2.gz WCKZQOFOTDPLES-QGZVFWFLSA-N 2 0 366.462 0.950 20 5 FCBDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000567043360 491482422 /nfs/dbraw/zinc/48/24/22/491482422.db2.gz RSCFWAPVMLWSKO-GOEBONIOSA-N 2 0 354.455 0.015 20 5 FCBDRP C[NH+](C)C1CCN(CC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000581938715 491791017 /nfs/dbraw/zinc/79/10/17/491791017.db2.gz QEBUKDZOPVKEKK-INIZCTEOSA-N 2 0 366.462 0.950 20 5 FCBDRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000112362208 666874268 /nfs/dbraw/zinc/87/42/68/666874268.db2.gz RFKBKZGPGNBRAC-UHFFFAOYSA-N 2 0 362.427 0.848 20 5 FCBDRP [NH3+]Cc1cccc(-c2nnn(-c3ncnc(C4C[NH2+]C4)c3[N+](=O)[O-])n2)c1 ZINC001168880696 1199038622 /nfs/dbraw/zinc/03/86/22/1199038622.db2.gz XSENLDQZGNFDCW-UHFFFAOYSA-N 2 0 353.346 0.173 20 5 FCBDRP COc1cccc([C@@H](C[NH3+])Nc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])c1 ZINC001163306153 1223229314 /nfs/dbraw/zinc/22/93/14/1223229314.db2.gz LVEXFZHGKPKPTK-CQSZACIVSA-N 2 0 373.417 0.915 20 5 FCBDRP O=[N+]([O-])c1c(N2CC[NH2+]CC2)ncnc1N1CCCCC12CC[NH2+]CC2 ZINC001165335683 1223244813 /nfs/dbraw/zinc/24/48/13/1223244813.db2.gz SWKRHEHSRRPQQR-UHFFFAOYSA-N 2 0 361.450 0.907 20 5 FCBDRP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001580281859 1278084454 /nfs/dbraw/zinc/08/44/54/1278084454.db2.gz VUQNYDPQAYPJNH-HZPDHXFCSA-N 2 0 350.419 0.948 20 5 FCBDRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])O1 ZINC001170277988 850648910 /nfs/dbraw/zinc/64/89/10/850648910.db2.gz OBMFWXXWDZMWFN-HFAKWTLXSA-N 2 0 352.395 0.208 20 5 FCBDRP COc1cc(N2CCC([N@@H+]3C[C@H](O)[C@@H](C[NH3+])C3)CC2)ccc1[N+](=O)[O-] ZINC001246581624 857584636 /nfs/dbraw/zinc/58/46/36/857584636.db2.gz SQAKQNHUXOXBTQ-LRDDRELGSA-N 2 0 350.419 0.824 20 5 FCBDRP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182290445 209128896 /nfs/dbraw/zinc/12/88/96/209128896.db2.gz JPHRMRWJFUIQBB-MRXNPFEDSA-N 2 0 366.462 0.904 20 5 FCBDRP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000075675900 488398461 /nfs/dbraw/zinc/39/84/61/488398461.db2.gz GBIPPMNKDGIVPE-KRWDZBQOSA-N 2 0 367.450 0.587 20 5 FCBDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000476355016 489881867 /nfs/dbraw/zinc/88/18/67/489881867.db2.gz LSKMRJJLJSTPJH-ZDUSSCGKSA-N 2 0 352.439 0.816 20 5 FCBDRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000535041760 490442752 /nfs/dbraw/zinc/44/27/52/490442752.db2.gz FEVPALYVYYBMLL-UHFFFAOYSA-N 2 0 372.491 0.892 20 5 FCBDRP C[N@@H+]1CCN(CC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000564863543 491331762 /nfs/dbraw/zinc/33/17/62/491331762.db2.gz IHLHZKUKPWBLBI-MRXNPFEDSA-N 2 0 366.462 0.950 20 5 FCBDRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000567043359 491482371 /nfs/dbraw/zinc/48/23/71/491482371.db2.gz RSCFWAPVMLWSKO-GDBMZVCRSA-N 2 0 354.455 0.015 20 5 FCBDRP C[C@@H]1COCC[N@@H+]1C1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000580581176 491737037 /nfs/dbraw/zinc/73/70/37/491737037.db2.gz JVOMRIZTNZNPHW-CQSZACIVSA-N 2 0 350.419 0.942 20 5 FCBDRP O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000592471111 546951305 /nfs/dbraw/zinc/95/13/05/546951305.db2.gz YOXFPDFWOOUQBK-HZSPNIEDSA-N 2 0 368.459 0.851 20 5 FCBDRP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCN(CC[NH3+])N(O)N=O)c1F ZINC001173182429 1206266183 /nfs/dbraw/zinc/26/61/83/1206266183.db2.gz SWQOLTQQGLHMDC-SNVBAGLBSA-N 2 0 374.373 0.811 20 5 FCBDRP O=[N+]([O-])c1c(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)ncnc1N1CC[NH2+]CC1 ZINC001155621515 1223040014 /nfs/dbraw/zinc/04/00/14/1223040014.db2.gz WQILQKCDGZCURN-MLGOLLRUSA-N 2 0 363.422 0.117 20 5 FCBDRP CCOC(=O)CC1([NH3+])CCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CC1 ZINC001163533238 1223232488 /nfs/dbraw/zinc/23/24/88/1223232488.db2.gz RQYGZPVVLNCVKP-UHFFFAOYSA-N 2 0 364.406 0.323 20 5 FCBDRP O=C([C@@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1)N1CC[NH2+]CC1 ZINC000923283768 1245704851 /nfs/dbraw/zinc/70/48/51/1245704851.db2.gz YCVKKXNNEBRXSK-WBVHZDCISA-N 2 0 362.430 0.772 20 5 FCBDRP C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CN(C)CCN1C ZINC001335441980 1259665465 /nfs/dbraw/zinc/66/54/65/1259665465.db2.gz UXRHKJRZYWDSCJ-JLJPHGGASA-N 2 0 352.435 0.558 20 5 FCBDRP C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C1 ZINC001164735325 720535864 /nfs/dbraw/zinc/53/58/64/720535864.db2.gz OZGUHQJWSQPHRB-GFCCVEGCSA-N 2 0 372.433 0.466 20 5 FCBDRP [NH3+]CCOCCOCCOCCOCC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168990521 850601375 /nfs/dbraw/zinc/60/13/75/850601375.db2.gz ZZBAEGVVFIMOCH-JKSUJKDBSA-N 2 0 363.455 0.047 20 5 FCBDRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000090015330 488459644 /nfs/dbraw/zinc/45/96/44/488459644.db2.gz LJXPYJHIEBJSTL-STQMWFEESA-N 2 0 356.448 0.803 20 5 FCBDRP C[NH+](C)CCNS(=O)(=O)c1ccc(NCCCC[NH3+])c([N+](=O)[O-])c1 ZINC000420241543 489958126 /nfs/dbraw/zinc/95/81/26/489958126.db2.gz VNRYQDJBOPHSTD-UHFFFAOYSA-N 2 0 359.452 0.586 20 5 FCBDRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000422932329 490500031 /nfs/dbraw/zinc/50/00/31/490500031.db2.gz FNLNJQHZZHFVKI-DOMZBBRYSA-N 2 0 356.448 0.851 20 5 FCBDRP C[N@@H+]1CCN(CC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000578007424 491667802 /nfs/dbraw/zinc/66/78/02/491667802.db2.gz POYFMGAQGNDVKK-OAHLLOKOSA-N 2 0 366.462 0.950 20 5 FCBDRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610259475 492240198 /nfs/dbraw/zinc/24/01/98/492240198.db2.gz WZTMXEJDPCJMRW-UHFFFAOYSA-N 2 0 373.479 0.884 20 5 FCBDRP O=[N+]([O-])c1c(-n2ccnc2[C@@H]2CCC[NH2+]C2)ncnc1N1CC[NH2+]CC1 ZINC001167056290 1167830226 /nfs/dbraw/zinc/83/02/26/1167830226.db2.gz MIOQWAVYZLCMAS-GFCCVEGCSA-N 2 0 358.406 0.447 20 5 FCBDRP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000866711020 1210003538 /nfs/dbraw/zinc/00/35/38/1210003538.db2.gz ZSMBEGVSNHMBIV-XPKDYRNWSA-N 2 0 362.386 0.841 20 5 FCBDRP O=[N+]([O-])c1c(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)ncnc1N1CC[NH2+]CC1 ZINC001155621514 1223040328 /nfs/dbraw/zinc/04/03/28/1223040328.db2.gz WQILQKCDGZCURN-LRDDRELGSA-N 2 0 363.422 0.117 20 5 FCBDRP CC[NH+]1CCN([C@@H](C)C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC001335351842 1259620416 /nfs/dbraw/zinc/62/04/16/1259620416.db2.gz PSFDLRUTQJBRFW-JKSUJKDBSA-N 2 0 366.462 0.950 20 5 FCBDRP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001580281858 1278084823 /nfs/dbraw/zinc/08/48/23/1278084823.db2.gz VUQNYDPQAYPJNH-HOTGVXAUSA-N 2 0 350.419 0.948 20 5 FCBDRP C[NH+](C)CCNc1cc(NCC[NH+](C)C)c([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC001591021138 1284076500 /nfs/dbraw/zinc/07/65/00/1284076500.db2.gz XUZYPBUNLYRWBH-UHFFFAOYSA-N 2 0 363.426 0.722 20 5 FCBDRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001164931597 721890516 /nfs/dbraw/zinc/89/05/16/721890516.db2.gz FQEDYGOHUVWBNO-UONOGXRCSA-N 2 0 361.450 0.286 20 5 FCBDRP CC[NH+]1CCN(CC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC001356569174 868026264 /nfs/dbraw/zinc/02/62/64/868026264.db2.gz LTRXYPUWXRPJBS-HNNXBMFYSA-N 2 0 352.435 0.562 20 5 FCBDRP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC001325844319 870056604 /nfs/dbraw/zinc/05/66/04/870056604.db2.gz QCPPOKFXZBRODZ-XJKSGUPXSA-N 2 0 353.423 0.243 20 5 FCBDRP O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000159755992 488787458 /nfs/dbraw/zinc/78/74/58/488787458.db2.gz ZFRPCAJUYSVPIQ-UHFFFAOYSA-N 2 0 350.419 0.801 20 5 FCBDRP Nc1nc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)ncc1[N+](=O)[O-] ZINC000299567894 489456731 /nfs/dbraw/zinc/45/67/31/489456731.db2.gz OXQMBEWDMHDPCF-UHFFFAOYSA-N 2 0 358.406 0.986 20 5 FCBDRP Cc1ccc(NCCCNC(=O)N2CCN(C)C[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000520547022 490159999 /nfs/dbraw/zinc/15/99/99/490159999.db2.gz LUQOBTSEOUCGNK-AWEZNQCLSA-N 2 0 364.450 0.990 20 5 FCBDRP Cn1ncc([N+](=O)[O-])c1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000501040594 490572875 /nfs/dbraw/zinc/57/28/75/490572875.db2.gz KTCIKOCXCJQGKL-UHFFFAOYSA-N 2 0 373.417 0.665 20 5 FCBDRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000567043362 491482480 /nfs/dbraw/zinc/48/24/80/491482480.db2.gz RSCFWAPVMLWSKO-ZBFHGGJFSA-N 2 0 354.455 0.015 20 5 FCBDRP CC(C)[C@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)N1CC[NH+](C)CC1 ZINC000574444903 491497222 /nfs/dbraw/zinc/49/72/22/491497222.db2.gz HJZGNPCDQANHLG-CVEARBPZSA-N 2 0 354.455 0.014 20 5 FCBDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000591736275 546939141 /nfs/dbraw/zinc/93/91/41/546939141.db2.gz NAKIGLFMBNLALW-HUUCEWRRSA-N 2 0 352.435 0.560 20 5 FCBDRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000591736274 546939308 /nfs/dbraw/zinc/93/93/08/546939308.db2.gz NAKIGLFMBNLALW-GJZGRUSLSA-N 2 0 352.435 0.560 20 5 FCBDRP O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000592471112 546951739 /nfs/dbraw/zinc/95/17/39/546951739.db2.gz YOXFPDFWOOUQBK-MELADBBJSA-N 2 0 368.459 0.851 20 5 FCBDRP O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000923366605 667828100 /nfs/dbraw/zinc/82/81/00/667828100.db2.gz NONAYWWITNKNKL-HZPDHXFCSA-N 2 0 350.419 0.314 20 5 FCBDRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119711375 675438504 /nfs/dbraw/zinc/43/85/04/675438504.db2.gz YYGXSGLQKBXFBD-UHFFFAOYSA-N 2 0 350.466 0.770 20 5 FCBDRP O=[N+]([O-])c1c(N2CC[NH2+]CC2)ncnc1N1CC[NH2+][C@H](c2ccccc2)C1 ZINC001157759939 1223081886 /nfs/dbraw/zinc/08/18/86/1223081886.db2.gz YFNCSWSHYNQSGK-HNNXBMFYSA-N 2 0 369.429 0.945 20 5 FCBDRP CC[NH+]1CCN([C@H](C)C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC001335934525 1259908271 /nfs/dbraw/zinc/90/82/71/1259908271.db2.gz RXWYIWNJLPEBAU-NVXWUHKLSA-N 2 0 366.462 0.950 20 5 FCBDRP C[C@@]1(CN(CC[NH3+])c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC[NH2+]C1 ZINC001576500030 1273364412 /nfs/dbraw/zinc/36/44/12/1273364412.db2.gz BBJKYPIEUWMMOU-OAHLLOKOSA-N 2 0 356.448 0.763 20 5 FCBDRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)O1 ZINC001159245576 850104297 /nfs/dbraw/zinc/10/42/97/850104297.db2.gz LXZCOXVMKXAESS-YRGRVCCFSA-N 2 0 352.395 0.208 20 5 FCBDRP COC(=O)C(C(=O)OC)c1cc(N[C@H]([NH3+])CCC[NH3+])ccc1[N+](=O)[O-] ZINC001170903255 850670950 /nfs/dbraw/zinc/67/09/50/850670950.db2.gz IPIATXMYYYOIHG-LBPRGKRZSA-N 2 0 354.363 0.460 20 5 FCBDRP O=C(NC[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1)[C@@H]1CCC[NH2+]1 ZINC000261845745 488538089 /nfs/dbraw/zinc/53/80/89/488538089.db2.gz LYFLZJWQBWLMEA-KBPBESRZSA-N 2 0 350.423 0.372 20 5 FCBDRP C[C@@H](C[NH+](C)C)Nc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000286553183 489403420 /nfs/dbraw/zinc/40/34/20/489403420.db2.gz WJYDMBGHWIOUMN-LBPRGKRZSA-N 2 0 373.479 0.797 20 5 FCBDRP Cc1c(NC(=O)CC[N@@H+](C)CC(=O)N2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000430611002 489753950 /nfs/dbraw/zinc/75/39/50/489753950.db2.gz NBPWFGKOAACVGF-UHFFFAOYSA-N 2 0 363.418 0.595 20 5 FCBDRP C[C@@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])CN1CC[NH+](C)CC1 ZINC000564855653 491331162 /nfs/dbraw/zinc/33/11/62/491331162.db2.gz GCMDZFWZCHQZLX-JKSUJKDBSA-N 2 0 366.462 0.808 20 5 FCBDRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000422936311 490502195 /nfs/dbraw/zinc/50/21/95/490502195.db2.gz LZYZVJLIUDPBPC-DOMZBBRYSA-N 2 0 356.448 0.980 20 5 FCBDRP O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH2+]C1(CO)CC[NH2+]CC1 ZINC000595896852 491959912 /nfs/dbraw/zinc/95/99/12/491959912.db2.gz LURNLYBVRNEEIY-UHFFFAOYSA-N 2 0 350.375 0.597 20 5 FCBDRP O=[N+]([O-])c1c(-n2ccnc2[C@H]2CCC[NH2+]C2)ncnc1N1CC[NH2+]CC1 ZINC001167056296 1167830619 /nfs/dbraw/zinc/83/06/19/1167830619.db2.gz MIOQWAVYZLCMAS-LBPRGKRZSA-N 2 0 358.406 0.447 20 5 FCBDRP CC(=O)N1CCN(CCOc2ccc(CC[NH2+]CC[N+](=O)[O-])cc2)CC1 ZINC000905096429 1195576135 /nfs/dbraw/zinc/57/61/35/1195576135.db2.gz JHVHLNCGRJZLNJ-UHFFFAOYSA-N 2 0 364.446 0.638 20 5 FCBDRP COC(=O)COc1ccc(C[N@H+](C)CCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000592428374 1196619024 /nfs/dbraw/zinc/61/90/24/1196619024.db2.gz DOKPFZFLCURBAP-UHFFFAOYSA-N 2 0 366.418 0.484 20 5 FCBDRP CCC[NH+]1C[C@H]2CN(c3ncnc(N4CC[NH2+]CC4)c3[N+](=O)[O-])C[C@@H]2C1 ZINC001157688402 1223080542 /nfs/dbraw/zinc/08/05/42/1223080542.db2.gz DGMBBXSHCPOYEJ-KBPBESRZSA-N 2 0 361.450 0.572 20 5 FCBDRP [NH3+]Cc1cccc2c1cnn2-c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001158307768 1223094542 /nfs/dbraw/zinc/09/45/42/1223094542.db2.gz IEXBPJSMIQJAFC-UHFFFAOYSA-N 2 0 354.374 0.592 20 5 FCBDRP CC[NH+]1CCN([C@@H](C)C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC001335934523 1259908919 /nfs/dbraw/zinc/90/89/19/1259908919.db2.gz RXWYIWNJLPEBAU-DOTOQJQBSA-N 2 0 366.462 0.950 20 5 FCBDRP C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001164931596 721890593 /nfs/dbraw/zinc/89/05/93/721890593.db2.gz FQEDYGOHUVWBNO-KGLIPLIRSA-N 2 0 361.450 0.286 20 5 FCBDRP C[C@@H](Cc1ccccc1[N+](=O)[O-])N(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246921660 857605521 /nfs/dbraw/zinc/60/55/21/857605521.db2.gz SQXJGDZOAFTYJI-AWEZNQCLSA-N 2 0 351.451 0.642 20 5 FCBDRP C[NH+](C)CC1(O)CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000931482771 674117164 /nfs/dbraw/zinc/11/71/64/674117164.db2.gz NRDXGXFMERHRCN-CQSZACIVSA-N 2 0 353.419 0.723 20 5 FCBDRP COc1cc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000470013582 250020999 /nfs/dbraw/zinc/02/09/99/250020999.db2.gz YOHSYWHAVQKDJP-LBPRGKRZSA-N 2 0 366.418 0.899 20 5 FCBDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000299712118 488869443 /nfs/dbraw/zinc/86/94/43/488869443.db2.gz ISVUQAGTHFPCLK-CQSZACIVSA-N 2 0 352.439 0.666 20 5 FCBDRP CN(CC[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC[NH+](C)CC1 ZINC000245647960 488465415 /nfs/dbraw/zinc/46/54/15/488465415.db2.gz BSQWNEXPWOCBLN-MRXNPFEDSA-N 2 0 354.455 0.110 20 5 FCBDRP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000174729264 488850804 /nfs/dbraw/zinc/85/08/04/488850804.db2.gz PFBMSGXJIYDKCY-KRWDZBQOSA-N 2 0 366.462 0.904 20 5 FCBDRP Cc1ccc(NCCCNC(=O)N2CCN(C)C[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000520547023 490160078 /nfs/dbraw/zinc/16/00/78/490160078.db2.gz LUQOBTSEOUCGNK-CQSZACIVSA-N 2 0 364.450 0.990 20 5 FCBDRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)CC1 ZINC000535582152 490503440 /nfs/dbraw/zinc/50/34/40/490503440.db2.gz PDMMZDFZJQUUMW-MRXNPFEDSA-N 2 0 363.462 0.857 20 5 FCBDRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422980121 490510533 /nfs/dbraw/zinc/51/05/33/490510533.db2.gz KWJPIQJEISPAKV-STQMWFEESA-N 2 0 356.448 0.980 20 5 FCBDRP CN1CCN(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000575309675 491548284 /nfs/dbraw/zinc/54/82/84/491548284.db2.gz SHQLDGBHVPCVCK-SNVBAGLBSA-N 2 0 369.809 0.079 20 5 FCBDRP [NH3+]CC1(N(Cc2ccccc2)c2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])COC1 ZINC001167370895 1169749309 /nfs/dbraw/zinc/74/93/09/1169749309.db2.gz DGVILEUARHVSFX-UHFFFAOYSA-N 2 0 370.413 0.806 20 5 FCBDRP [NH3+]CC1(N(Cc2ccccc2)c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)COC1 ZINC001156635904 1223060498 /nfs/dbraw/zinc/06/04/98/1223060498.db2.gz NIYGJBKYKULVTC-UHFFFAOYSA-N 2 0 370.413 0.806 20 5 FCBDRP O=[N+]([O-])c1ccc2c(c1)CC[C@H](N1CC[NH2+]CCNCC[NH2+]CC1)CC2 ZINC001246820284 1259690765 /nfs/dbraw/zinc/69/07/65/1259690765.db2.gz JQOHIGXTCBWGFS-GOSISDBHSA-N 2 0 361.490 0.927 20 5 FCBDRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001335986296 1259931598 /nfs/dbraw/zinc/93/15/98/1259931598.db2.gz MPASHHFLSLYDDE-RDJZCZTQSA-N 2 0 366.462 0.950 20 5 FCBDRP COc1cc(N2CCC([N@@H+]3C[C@@H](O)[C@@H](C[NH3+])C3)CC2)ccc1[N+](=O)[O-] ZINC001246587094 857584261 /nfs/dbraw/zinc/58/42/61/857584261.db2.gz SQAKQNHUXOXBTQ-BLLLJJGKSA-N 2 0 350.419 0.824 20 5 FCBDRP C[NH+](C)CCCNS(=O)(=O)c1ccc(NCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000192908234 488425233 /nfs/dbraw/zinc/42/52/33/488425233.db2.gz GSQLDLZNJGIVQK-UHFFFAOYSA-N 2 0 373.479 0.798 20 5 FCBDRP C[C@H](C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])CN1CC[NH+](C)CC1 ZINC000564855641 491331129 /nfs/dbraw/zinc/33/11/29/491331129.db2.gz GCMDZFWZCHQZLX-CVEARBPZSA-N 2 0 366.462 0.808 20 5 FCBDRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000422936313 490501876 /nfs/dbraw/zinc/50/18/76/490501876.db2.gz LZYZVJLIUDPBPC-IUODEOHRSA-N 2 0 356.448 0.980 20 5 FCBDRP [NH3+]CC1CCC([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000422982973 490511536 /nfs/dbraw/zinc/51/15/36/490511536.db2.gz RWTBGMHHJHRGBD-UHFFFAOYSA-N 2 0 356.448 0.980 20 5 FCBDRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000536828205 490619145 /nfs/dbraw/zinc/61/91/45/490619145.db2.gz RMQQPVSGFDHEHE-SWLSCSKDSA-N 2 0 356.448 0.803 20 5 FCBDRP C[NH+](C)C1CCN(CC[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000567464110 491507559 /nfs/dbraw/zinc/50/75/59/491507559.db2.gz GMNMCPCNTBDXAW-KRWDZBQOSA-N 2 0 366.462 0.950 20 5 FCBDRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593524295 546969693 /nfs/dbraw/zinc/96/96/93/546969693.db2.gz CICSZOWSCKJMNC-UHFFFAOYSA-N 2 0 373.479 0.884 20 5 FCBDRP O=[N+]([O-])c1cnc(N2CCN(CCc3ccncc3)CC2)nc1C1C[NH2+]C1 ZINC001165060474 1223241366 /nfs/dbraw/zinc/24/13/66/1223241366.db2.gz WIRUVPKRGFLMST-UHFFFAOYSA-N 2 0 369.429 0.831 20 5 FCBDRP CC[NH+]1CCN([C@H](C)C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC001335351828 1259621491 /nfs/dbraw/zinc/62/14/91/1259621491.db2.gz PSFDLRUTQJBRFW-CVEARBPZSA-N 2 0 366.462 0.950 20 5 FCBDRP COCC[NH2+]CC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001579045571 1276638822 /nfs/dbraw/zinc/63/88/22/1276638822.db2.gz VCSLDHYAJJONHM-UHFFFAOYSA-N 2 0 351.407 0.521 20 5 FCBDRP O=[N+]([O-])c1c(N2CC3(C2)CC[N@H+](CC2CC2)C3)ncnc1N1CC[NH2+]CC1 ZINC001164767146 721282906 /nfs/dbraw/zinc/28/29/06/721282906.db2.gz GWQHBZCHPBTDMX-UHFFFAOYSA-N 2 0 373.461 0.717 20 5 FCBDRP C[C@@H](C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC001356584409 868030471 /nfs/dbraw/zinc/03/04/71/868030471.db2.gz OKRZFIPWFUPSMN-GJZGRUSLSA-N 2 0 352.435 0.560 20 5 FCBDRP C[NH+](C)CCNC(=O)c1ccc(C(=O)NCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000188187652 209226378 /nfs/dbraw/zinc/22/63/78/209226378.db2.gz BGOBENFDHTXEDV-UHFFFAOYSA-N 2 0 351.407 0.178 20 5 FCBDRP C[C@@H](C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])CN1CC[NH+](C)CC1 ZINC000564855649 491331331 /nfs/dbraw/zinc/33/13/31/491331331.db2.gz GCMDZFWZCHQZLX-HOTGVXAUSA-N 2 0 366.462 0.808 20 5 FCBDRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000536858980 490618319 /nfs/dbraw/zinc/61/83/19/490618319.db2.gz PTMFECLNRNMKQQ-SWLSCSKDSA-N 2 0 356.448 0.803 20 5 FCBDRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000536858981 490619234 /nfs/dbraw/zinc/61/92/34/490619234.db2.gz PTMFECLNRNMKQQ-WFASDCNBSA-N 2 0 356.448 0.803 20 5 FCBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCN(CC[NH3+])N(O)N=O)c1F ZINC001173182418 1206266340 /nfs/dbraw/zinc/26/63/40/1206266340.db2.gz SWQOLTQQGLHMDC-JTQLQIEISA-N 2 0 374.373 0.811 20 5 FCBDRP C[C@@H]1CN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@H]1C[NH3+] ZINC000866674725 1210000922 /nfs/dbraw/zinc/00/09/22/1210000922.db2.gz HNVPCXZOJXHEEF-HUUCEWRRSA-N 2 0 361.446 0.770 20 5 FCBDRP O=[N+]([O-])c1c(N2CC[NH2+]CC2)ncnc1N1CCCC[C@@]12CCC[NH2+]C2 ZINC001157467918 1223077579 /nfs/dbraw/zinc/07/75/79/1223077579.db2.gz JQJSTBQQTYSDRH-KRWDZBQOSA-N 2 0 361.450 0.907 20 5 FCBDRP [NH3+]Cc1ccc2c(n1)N(c1ncnc(N3CC[NH2+]CC3)c1[N+](=O)[O-])CCC2 ZINC001158648955 1223104457 /nfs/dbraw/zinc/10/44/57/1223104457.db2.gz HSJXKXMTVNDMCY-UHFFFAOYSA-N 2 0 370.417 0.732 20 5 FCBDRP O=C([C@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1)N1CC[NH2+]CC1 ZINC000923283765 1245706004 /nfs/dbraw/zinc/70/60/04/1245706004.db2.gz YCVKKXNNEBRXSK-DOTOQJQBSA-N 2 0 362.430 0.772 20 5 FCBDRP CC[NH+]1CCN([C@@H](C)C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC001335934528 1259908958 /nfs/dbraw/zinc/90/89/58/1259908958.db2.gz RXWYIWNJLPEBAU-RDJZCZTQSA-N 2 0 366.462 0.950 20 5 FCBDRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)O1 ZINC001159245575 850104409 /nfs/dbraw/zinc/10/44/09/850104409.db2.gz LXZCOXVMKXAESS-BZPMIXESSA-N 2 0 352.395 0.208 20 5 FCBDRP COCCC1(CNc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CC[NH2+]CC1 ZINC001161505250 850266546 /nfs/dbraw/zinc/26/65/46/850266546.db2.gz SUKDCRMINFOYTQ-UHFFFAOYSA-N 2 0 350.423 0.890 20 5 FCBDRP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC001325844313 870056732 /nfs/dbraw/zinc/05/67/32/870056732.db2.gz QCPPOKFXZBRODZ-BBRMVZONSA-N 2 0 353.423 0.243 20 5 FCBDRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000422948365 490504929 /nfs/dbraw/zinc/50/49/29/490504929.db2.gz RWTXGIMRHYLPMR-WFASDCNBSA-N 2 0 356.448 0.851 20 5 FCBDRP CC(C)[C@@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)N1CC[NH+](C)CC1 ZINC000574444906 491497374 /nfs/dbraw/zinc/49/73/74/491497374.db2.gz HJZGNPCDQANHLG-JKSUJKDBSA-N 2 0 354.455 0.014 20 5 FCBDRP [NH3+][C@@H]1Cc2ccccc2N(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])C1 ZINC001155298950 1223032414 /nfs/dbraw/zinc/03/24/14/1223032414.db2.gz ZNYBKWOJUMBSLH-CYBMUJFWSA-N 2 0 355.402 0.816 20 5 FCBDRP COc1cccc([C@H](C[NH3+])Nc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])c1 ZINC001163306150 1223229235 /nfs/dbraw/zinc/22/92/35/1223229235.db2.gz LVEXFZHGKPKPTK-AWEZNQCLSA-N 2 0 373.417 0.915 20 5 FCBDRP CN(C)CC[NH+]1CCC(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001338461827 1267948724 /nfs/dbraw/zinc/94/87/24/1267948724.db2.gz PMXIRRKVMOBNEU-MRXNPFEDSA-N 2 0 354.455 0.015 20 5 FCBDRP COc1ccc(C[C@@H](C)[NH2+]CCN(CC[NH3+])N(O)N=O)c([N+](=O)[O-])c1 ZINC001170318318 850650001 /nfs/dbraw/zinc/65/00/01/850650001.db2.gz OVTFAOBHEVFLPX-LLVKDONJSA-N 2 0 356.383 0.672 20 5 FCBDRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000285361233 213330332 /nfs/dbraw/zinc/33/03/32/213330332.db2.gz AHEZRMOGBXBCKD-UHFFFAOYSA-N 2 0 359.390 0.655 20 5 FCBDRP [NH3+]CC(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000414677120 245312010 /nfs/dbraw/zinc/31/20/10/245312010.db2.gz WBVVRCPHANYAEK-HNNXBMFYSA-N 2 0 361.446 0.914 20 5 FCBDRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000162106796 488801000 /nfs/dbraw/zinc/80/10/00/488801000.db2.gz RMQQPVSGFDHEHE-WFASDCNBSA-N 2 0 356.448 0.803 20 5 FCBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430601222 489750551 /nfs/dbraw/zinc/75/05/51/489750551.db2.gz CYMMHPGOZNSCCD-UHFFFAOYSA-N 2 0 363.418 0.595 20 5 FCBDRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000422932334 490500244 /nfs/dbraw/zinc/50/02/44/490500244.db2.gz FNLNJQHZZHFVKI-WFASDCNBSA-N 2 0 356.448 0.851 20 5 FCBDRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000422936317 490501838 /nfs/dbraw/zinc/50/18/38/490501838.db2.gz LZYZVJLIUDPBPC-WFASDCNBSA-N 2 0 356.448 0.980 20 5 FCBDRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422980118 490510238 /nfs/dbraw/zinc/51/02/38/490510238.db2.gz KWJPIQJEISPAKV-CHWSQXEVSA-N 2 0 356.448 0.980 20 5 FCBDRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000578535636 491679428 /nfs/dbraw/zinc/67/94/28/491679428.db2.gz LJXPYJHIEBJSTL-CHWSQXEVSA-N 2 0 356.448 0.803 20 5 FCBDRP O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000592471110 546951675 /nfs/dbraw/zinc/95/16/75/546951675.db2.gz YOXFPDFWOOUQBK-BFHYXJOUSA-N 2 0 368.459 0.851 20 5 FCBDRP C[N@@H+]1CCCN(CCC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC001120574876 1222105449 /nfs/dbraw/zinc/10/54/49/1222105449.db2.gz RMKMOFYSMINCTP-MRXNPFEDSA-N 2 0 366.462 0.952 20 5 FCBDRP [NH3+]CC1CC[NH+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000843345139 1222871107 /nfs/dbraw/zinc/87/11/07/1222871107.db2.gz UVIFNQDOIOQBQB-UHFFFAOYSA-N 2 0 361.446 0.914 20 5 FCBDRP C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CN(C)CCN1C ZINC001335441982 1259665939 /nfs/dbraw/zinc/66/59/39/1259665939.db2.gz UXRHKJRZYWDSCJ-QRTARXTBSA-N 2 0 352.435 0.558 20 5 FCBDRP COC(=O)[C@H](C[NH3+])C[NH2+]C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256087469 1259933410 /nfs/dbraw/zinc/93/34/10/1259933410.db2.gz BIMDMSBLZKYFRC-GFCCVEGCSA-N 2 0 366.418 0.910 20 5 FCBDRP C[NH+](C)C[C@@H]1CN(c2cc(-c3nn[nH]n3)ccc2[N+](=O)[O-])C[C@H]1C[NH+](C)C ZINC001604689917 1287735148 /nfs/dbraw/zinc/73/51/48/1287735148.db2.gz HXCWKLNCTSBCDO-ZIAGYGMSSA-N 2 0 374.449 0.951 20 5 FCBDRP C[NH+]1CCN(CCC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC001120470074 848212964 /nfs/dbraw/zinc/21/29/64/848212964.db2.gz YCAVKEJPOJVGPF-HNNXBMFYSA-N 2 0 352.435 0.562 20 5 FCBDRP O=[N+]([O-])c1c(NC[C@]2(F)CCCC[NH2+]C2)ncnc1N1CC[NH2+]CC1 ZINC001155114737 849831305 /nfs/dbraw/zinc/83/13/05/849831305.db2.gz FQSBEEADGAIYTF-HNNXBMFYSA-N 2 0 353.402 0.688 20 5 FCBDRP [NH3+]CCOCCOCCOCCOCC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168990519 850601304 /nfs/dbraw/zinc/60/13/04/850601304.db2.gz ZZBAEGVVFIMOCH-HOTGVXAUSA-N 2 0 363.455 0.047 20 5 FCBDRP C[NH+](C)CCOc1cc(NCCOCCOCC[NH3+])ccc1[N+](=O)[O-] ZINC001170512620 850656232 /nfs/dbraw/zinc/65/62/32/850656232.db2.gz JLTVFMCSXBGRHG-UHFFFAOYSA-N 2 0 356.423 0.939 20 5 FCBDRP C[C@H](C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC001353287710 867387559 /nfs/dbraw/zinc/38/75/59/867387559.db2.gz LQZAYOLSMVIBMV-ZBFHGGJFSA-N 2 0 352.435 0.560 20 5 FCBDRP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182290415 209129600 /nfs/dbraw/zinc/12/96/00/209129600.db2.gz JPHRMRWJFUIQBB-INIZCTEOSA-N 2 0 366.462 0.904 20 5 FCBDRP CN(CC[NH+](C)C)c1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000080684719 208093972 /nfs/dbraw/zinc/09/39/72/208093972.db2.gz DSDAQTCFROVYRL-UHFFFAOYSA-N 2 0 373.479 0.433 20 5 FCBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000130535870 488637922 /nfs/dbraw/zinc/63/79/22/488637922.db2.gz DYAAASAAZUUBEK-UHFFFAOYSA-N 2 0 365.434 0.794 20 5 FCBDRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000422948364 490504562 /nfs/dbraw/zinc/50/45/62/490504562.db2.gz RWTXGIMRHYLPMR-SWLSCSKDSA-N 2 0 356.448 0.851 20 5 FCBDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000530641364 490917214 /nfs/dbraw/zinc/91/72/14/490917214.db2.gz PHLBVFFJIHWYIV-UHFFFAOYSA-N 2 0 365.434 0.276 20 5 FCBDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000582900481 491831199 /nfs/dbraw/zinc/83/11/99/491831199.db2.gz OXYOXAACNZNDHO-GDBMZVCRSA-N 2 0 352.435 0.560 20 5 FCBDRP O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000923366603 667827937 /nfs/dbraw/zinc/82/79/37/667827937.db2.gz NONAYWWITNKNKL-HOTGVXAUSA-N 2 0 350.419 0.314 20 5 FCBDRP C[N@@H+]1CCCN(CCC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC001120574875 1222105281 /nfs/dbraw/zinc/10/52/81/1222105281.db2.gz RMKMOFYSMINCTP-INIZCTEOSA-N 2 0 366.462 0.952 20 5 FCBDRP C[N@@H+]1CCCN(CCC[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC001335366434 1259627321 /nfs/dbraw/zinc/62/73/21/1259627321.db2.gz HCAAPHXEVCKSOO-KRWDZBQOSA-N 2 0 366.462 0.952 20 5 FCBDRP C[C@@]([NH3+])(C(=O)NC[C@H](O)C[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC001576080718 1272854081 /nfs/dbraw/zinc/85/40/81/1272854081.db2.gz GSRHJPTWQMTBHN-RDJZCZTQSA-N 2 0 350.419 0.732 20 5 FCBDRP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001580281857 1278085456 /nfs/dbraw/zinc/08/54/56/1278085456.db2.gz VUQNYDPQAYPJNH-CVEARBPZSA-N 2 0 350.419 0.948 20 5 FCBDRP C[NH+]1CCN(CCC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC001336712608 874030957 /nfs/dbraw/zinc/03/09/57/874030957.db2.gz DNVISQRDRHAHMF-MRXNPFEDSA-N 2 0 352.435 0.562 20 5 FCBDRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000090015327 488459814 /nfs/dbraw/zinc/45/98/14/488459814.db2.gz LJXPYJHIEBJSTL-OLZOCXBDSA-N 2 0 356.448 0.803 20 5 FCBDRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430642726 489762235 /nfs/dbraw/zinc/76/22/35/489762235.db2.gz KRVWSZIKXNVOKF-ZDUSSCGKSA-N 2 0 363.418 0.710 20 5 FCBDRP C[NH2+]C[C@@H](C)CNc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000420189043 489945935 /nfs/dbraw/zinc/94/59/35/489945935.db2.gz FSUKSGSOPUPQOD-GFCCVEGCSA-N 2 0 373.479 0.702 20 5 FCBDRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000422948502 490504647 /nfs/dbraw/zinc/50/46/47/490504647.db2.gz SALKVAKOMANAOR-SWLSCSKDSA-N 2 0 356.448 0.980 20 5 FCBDRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000422948363 490504785 /nfs/dbraw/zinc/50/47/85/490504785.db2.gz RWTXGIMRHYLPMR-IUODEOHRSA-N 2 0 356.448 0.851 20 5 FCBDRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422980119 490510487 /nfs/dbraw/zinc/51/04/87/490510487.db2.gz KWJPIQJEISPAKV-OLZOCXBDSA-N 2 0 356.448 0.980 20 5 FCBDRP C[NH+](C)CCN1CCC([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000514933708 490798730 /nfs/dbraw/zinc/79/87/30/490798730.db2.gz WCKZQOFOTDPLES-KRWDZBQOSA-N 2 0 366.462 0.950 20 5 FCBDRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000591736276 546939157 /nfs/dbraw/zinc/93/91/57/546939157.db2.gz NAKIGLFMBNLALW-LSDHHAIUSA-N 2 0 352.435 0.560 20 5 FCBDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000729435235 1188187741 /nfs/dbraw/zinc/18/77/41/1188187741.db2.gz KHNCQNDJJFQLRT-UHFFFAOYSA-N 2 0 362.434 0.896 20 5 FCBDRP COc1ccc(NC(=O)CC[N@H+](C)CCN2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000592471981 1196563833 /nfs/dbraw/zinc/56/38/33/1196563833.db2.gz BFGFRNUDIVOKCJ-UHFFFAOYSA-N 2 0 365.434 0.769 20 5 FCBDRP CN(CCN1CC[NH2+]CC1)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000592472019 1196625332 /nfs/dbraw/zinc/62/53/32/1196625332.db2.gz DFQGTIQQVKWPIR-UHFFFAOYSA-N 2 0 365.390 0.099 20 5 FCBDRP O=[N+]([O-])c1c(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)ncnc1N1CC[NH2+]CC1 ZINC001155621516 1223040183 /nfs/dbraw/zinc/04/01/83/1223040183.db2.gz WQILQKCDGZCURN-WBMJQRKESA-N 2 0 363.422 0.117 20 5 FCBDRP O=[N+]([O-])c1c(NCc2ncn3c2C[NH2+]CCC3)ncnc1N1CC[NH2+]CC1 ZINC001158355910 1223095606 /nfs/dbraw/zinc/09/56/06/1223095606.db2.gz HJCFEIUTGZAYSZ-UHFFFAOYSA-N 2 0 373.421 0.096 20 5 FCBDRP NC1=CC=C(C2CCN(c3ncc([N+](=O)[O-])c(C4C[NH2+]C4)n3)CC2)[NH2+]C1 ZINC001163135343 1223227078 /nfs/dbraw/zinc/22/70/78/1223227078.db2.gz DIOZAPFPBRDNSC-UHFFFAOYSA-N 2 0 357.418 0.618 20 5 FCBDRP [NH3+]CC[C@@H]1CC[N@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000923489614 1245724732 /nfs/dbraw/zinc/72/47/32/1245724732.db2.gz PXJRQFGXJLWOAF-OAHLLOKOSA-N 2 0 361.446 0.914 20 5 FCBDRP C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CN(C)CCN1C ZINC001335441981 1259665765 /nfs/dbraw/zinc/66/57/65/1259665765.db2.gz UXRHKJRZYWDSCJ-LXZKKBNFSA-N 2 0 352.435 0.558 20 5 FCBDRP COc1ccc(C[C@@H](C)N2CC[NH2+]CCNCC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001246818986 1259690476 /nfs/dbraw/zinc/69/04/76/1259690476.db2.gz FHNYKAPYVMSTRE-OAHLLOKOSA-N 2 0 365.478 0.619 20 5 FCBDRP C[C@]([NH3+])(C(=O)NC[C@H](O)C[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC001576080717 1272854638 /nfs/dbraw/zinc/85/46/38/1272854638.db2.gz GSRHJPTWQMTBHN-DOTOQJQBSA-N 2 0 350.419 0.732 20 5 FCBDRP O=[N+]([O-])c1c(NC[C@@]2(F)CCCC[NH2+]C2)ncnc1N1CC[NH2+]CC1 ZINC001155114738 849831442 /nfs/dbraw/zinc/83/14/42/849831442.db2.gz FQSBEEADGAIYTF-OAHLLOKOSA-N 2 0 353.402 0.688 20 5 FCBDRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000374422721 217127886 /nfs/dbraw/zinc/12/78/86/217127886.db2.gz SMHCBEZGXLEROP-DTZQCDIJSA-N 2 0 353.423 0.336 20 5 FCBDRP O=C(NC[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1)[C@H]1CCC[NH2+]1 ZINC000261675616 488530054 /nfs/dbraw/zinc/53/00/54/488530054.db2.gz CEVVFGNCNFNJSP-DZGCQCFKSA-N 2 0 350.423 0.372 20 5 FCBDRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000451976781 489535415 /nfs/dbraw/zinc/53/54/15/489535415.db2.gz CIULXHPQMDSAHJ-UHFFFAOYSA-N 2 0 351.451 0.762 20 5 FCBDRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000430605795 489752611 /nfs/dbraw/zinc/75/26/11/489752611.db2.gz SIYNWDKNQOURKS-ZDUSSCGKSA-N 2 0 363.418 0.710 20 5 FCBDRP C[C@H](C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CN1CC[NH+](C)CC1 ZINC000520797809 490191073 /nfs/dbraw/zinc/19/10/73/490191073.db2.gz KFVACDUZMBVBRQ-NVXWUHKLSA-N 2 0 366.462 0.808 20 5 FCBDRP C[C@H]1COCC[N@@H+]1C1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000580581175 491737016 /nfs/dbraw/zinc/73/70/16/491737016.db2.gz JVOMRIZTNZNPHW-AWEZNQCLSA-N 2 0 350.419 0.942 20 5 FCBDRP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC[C@@H]2C1 ZINC001169026682 1199044466 /nfs/dbraw/zinc/04/44/66/1199044466.db2.gz YRTMXPVHSNIWKJ-VVLHAWIVSA-N 2 0 368.478 0.543 20 5 FCBDRP CCC[NH+]1C[C@@H]2CN(c3ncnc(N4CC[NH2+]CC4)c3[N+](=O)[O-])C[C@H]2C1 ZINC001157688404 1223080750 /nfs/dbraw/zinc/08/07/50/1223080750.db2.gz DGMBBXSHCPOYEJ-ZIAGYGMSSA-N 2 0 361.450 0.572 20 5 FCBDRP [NH3+]C[C@@H]1Cc2ccccc2CN1c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001162740574 1223218930 /nfs/dbraw/zinc/21/89/30/1223218930.db2.gz HLWXNFPLYHNBMN-HNNXBMFYSA-N 2 0 369.429 0.684 20 5 FCBDRP C[C@]1(CN(CC[NH3+])c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC[NH2+]C1 ZINC001576500029 1273363422 /nfs/dbraw/zinc/36/34/22/1273363422.db2.gz BBJKYPIEUWMMOU-HNNXBMFYSA-N 2 0 356.448 0.763 20 5 FCBDRP C[NH+](C)C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@H]1C[NH+](C)C ZINC001591021551 1284076902 /nfs/dbraw/zinc/07/69/02/1284076902.db2.gz PVULXMLLXUBCCU-CHWSQXEVSA-N 2 0 374.449 0.951 20 5 FCBDRP O=[N+]([O-])c1c(N2CC[NH2+]CC2)ncnc1N1CC[NH+](C2CCCC2)CC1 ZINC001165029218 721854039 /nfs/dbraw/zinc/85/40/39/721854039.db2.gz HXQWLEPEUMNHQG-UHFFFAOYSA-N 2 0 361.450 0.859 20 5 FCBDRP [NH3+]CCOCC[NH2+]C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173689937 850732960 /nfs/dbraw/zinc/73/29/60/850732960.db2.gz APHSQEQSZFLYCU-UHFFFAOYSA-N 2 0 372.447 0.313 20 5 FCBDRP O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC([NH2+][C@@H]2CC23C[NH2+]C3)CC1 ZINC001246452217 857580316 /nfs/dbraw/zinc/58/03/16/857580316.db2.gz QOCAPSQTMJDUAW-OAHLLOKOSA-N 2 0 366.443 0.699 20 5 FCBDRP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246925083 857605480 /nfs/dbraw/zinc/60/54/80/857605480.db2.gz KZIQIWZDIJGTLY-AWEZNQCLSA-N 2 0 351.451 0.642 20 5 FCBDRP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC001325844315 870057114 /nfs/dbraw/zinc/05/71/14/870057114.db2.gz QCPPOKFXZBRODZ-CJNGLKHVSA-N 2 0 353.423 0.243 20 5 FCBDRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000264848508 209998948 /nfs/dbraw/zinc/99/89/48/209998948.db2.gz BMZXFPRESAUWLW-UHFFFAOYSA-N 2 0 367.450 0.489 20 5 FCBDRP CC[N@H+](C)CCNc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000091461250 208137996 /nfs/dbraw/zinc/13/79/96/208137996.db2.gz NPCMRINBPXFVPE-UHFFFAOYSA-N 2 0 373.479 0.798 20 5 FCBDRP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000562994630 491206716 /nfs/dbraw/zinc/20/67/16/491206716.db2.gz DMTFMTSSBMESEL-ZACQAIPSSA-N 2 0 367.450 0.510 20 5 FCBDRP C[NH+](C)CCN1CCC([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000562997892 491206811 /nfs/dbraw/zinc/20/68/11/491206811.db2.gz SEKRONMAJWYZMF-MRXNPFEDSA-N 2 0 366.462 0.950 20 5 FCBDRP C[NH+](C)CCCN(CCC[NH+](C)C)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290505584 489145506 /nfs/dbraw/zinc/14/55/06/489145506.db2.gz AZPRXMYRCFDRBE-UHFFFAOYSA-N 2 0 352.439 0.799 20 5 FCBDRP COc1ccc(OCC[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c([N+](=O)[O-])c1 ZINC000420349352 489966797 /nfs/dbraw/zinc/96/67/97/489966797.db2.gz OPGUYYUATOFQDB-AWEZNQCLSA-N 2 0 350.419 0.962 20 5 FCBDRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000422936315 490501886 /nfs/dbraw/zinc/50/18/86/490501886.db2.gz LZYZVJLIUDPBPC-SWLSCSKDSA-N 2 0 356.448 0.980 20 5 FCBDRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000422948500 490505228 /nfs/dbraw/zinc/50/52/28/490505228.db2.gz SALKVAKOMANAOR-DOMZBBRYSA-N 2 0 356.448 0.980 20 5 FCBDRP CN(C(=O)c1c([N+](=O)[O-])cnn1C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000611236375 492282276 /nfs/dbraw/zinc/28/22/76/492282276.db2.gz KKLOVCDPPUYBLS-CYBMUJFWSA-N 2 0 350.423 0.569 20 5 FCBDRP CN(C(=O)c1c([N+](=O)[O-])cnn1C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000611236376 492282372 /nfs/dbraw/zinc/28/23/72/492282372.db2.gz KKLOVCDPPUYBLS-ZDUSSCGKSA-N 2 0 350.423 0.569 20 5 FCBDRP O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000592469114 546951682 /nfs/dbraw/zinc/95/16/82/546951682.db2.gz HPYQZYFQUNHGFP-MELADBBJSA-N 2 0 368.459 0.851 20 5 FCBDRP C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CCN1CC[NH2+]CC1 ZINC000843349298 670803194 /nfs/dbraw/zinc/80/31/94/670803194.db2.gz SIYRQTLNKFBTLL-UHFFFAOYSA-N 2 0 353.398 0.900 20 5 FCBDRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000592424443 1196561818 /nfs/dbraw/zinc/56/18/18/1196561818.db2.gz NUFVJBHXINGBPS-GFCCVEGCSA-N 2 0 364.402 0.653 20 5 FCBDRP CCC[N@H+]1C[C@H]2CN(c3ncnc(N4CC[NH2+]CC4)c3[N+](=O)[O-])C[C@H]2C1 ZINC001157688403 1223080742 /nfs/dbraw/zinc/08/07/42/1223080742.db2.gz DGMBBXSHCPOYEJ-OKILXGFUSA-N 2 0 361.450 0.572 20 5 FCBDRP [NH3+]Cc1cc2ccncc2n1-c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001160958838 1223181951 /nfs/dbraw/zinc/18/19/51/1223181951.db2.gz BGLXWPGTUYFMPI-UHFFFAOYSA-N 2 0 354.374 0.592 20 5 FCBDRP COCCC1([NH3+])CCN(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])CC1 ZINC001162041394 1223210025 /nfs/dbraw/zinc/21/00/25/1223210025.db2.gz HYVFVRMZDOXAPV-UHFFFAOYSA-N 2 0 365.438 0.129 20 5 FCBDRP CC[NH+](CC)CCNC(=N)Nc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001163122251 1223226524 /nfs/dbraw/zinc/22/65/24/1223226524.db2.gz FQIBXRJWEQYMSA-UHFFFAOYSA-N 2 0 365.442 0.072 20 5 FCBDRP C[NH+](C)C[C@@H]1CN(c2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C[C@H]1C[NH+](C)C ZINC001591021111 1284077104 /nfs/dbraw/zinc/07/71/04/1284077104.db2.gz CVBWQNCDRKNXRW-CHWSQXEVSA-N 2 0 374.449 0.951 20 5 FCBDRP COC(=O)c1nc(Cl)nc(NCCC[NH2+]CCCC[NH3+])c1[N+](=O)[O-] ZINC001162290507 850306897 /nfs/dbraw/zinc/30/68/97/850306897.db2.gz XOOVQGIQVSSLBV-UHFFFAOYSA-N 2 0 360.802 0.955 20 5 FCBDRP C[C@H](Cc1ccc([N+](=O)[O-])cc1)N(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246925085 857605397 /nfs/dbraw/zinc/60/53/97/857605397.db2.gz KZIQIWZDIJGTLY-CQSZACIVSA-N 2 0 351.451 0.642 20 5 FCBDRP CC[NH+]1CCN(CC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC001336734657 874032656 /nfs/dbraw/zinc/03/26/56/874032656.db2.gz YNKKVRWYNWFDME-MRXNPFEDSA-N 2 0 352.435 0.562 20 5 FCBDRP C[NH+](C)CC1(O)CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000931489000 674117491 /nfs/dbraw/zinc/11/74/91/674117491.db2.gz XGNRPKLPIXJSJS-HNNXBMFYSA-N 2 0 353.419 0.723 20 5 FCBDRP Cc1nc(NCC2([NH+](C)C)CC2)nc(NCC2([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000419003456 489814199 /nfs/dbraw/zinc/81/41/99/489814199.db2.gz DBWKYYKCJNEXFT-UHFFFAOYSA-N 2 0 363.466 0.549 20 5 FCBDRP C[C@@H](C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CN1CC[NH+](C)CC1 ZINC000520797805 490190795 /nfs/dbraw/zinc/19/07/95/490190795.db2.gz KFVACDUZMBVBRQ-DOTOQJQBSA-N 2 0 366.462 0.808 20 5 FCBDRP COC(=O)c1cc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000531118647 490941814 /nfs/dbraw/zinc/94/18/14/490941814.db2.gz IUAIVUCQIIWTMK-UHFFFAOYSA-N 2 0 366.418 0.947 20 5 FCBDRP O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000592439062 546950388 /nfs/dbraw/zinc/95/03/88/546950388.db2.gz YTUWLUUTKZKPPS-MGPQQGTHSA-N 2 0 368.459 0.851 20 5 FCBDRP CN(C)CC[NH+]1CCC(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001338461826 1267949105 /nfs/dbraw/zinc/94/91/05/1267949105.db2.gz PMXIRRKVMOBNEU-INIZCTEOSA-N 2 0 354.455 0.015 20 5 FCBDRP C[C@H]1C[C@H](C[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000415089703 245347140 /nfs/dbraw/zinc/34/71/40/245347140.db2.gz ZILMBWLOSSPHFU-QWHCGFSZSA-N 2 0 356.448 0.851 20 5 FCBDRP O=C(NC[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1)[C@H]1CCC[NH2+]1 ZINC000261845748 488538066 /nfs/dbraw/zinc/53/80/66/488538066.db2.gz LYFLZJWQBWLMEA-UONOGXRCSA-N 2 0 350.423 0.372 20 5 FCBDRP C[NH+](C)CCN1CCC([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000562997891 491206822 /nfs/dbraw/zinc/20/68/22/491206822.db2.gz SEKRONMAJWYZMF-INIZCTEOSA-N 2 0 366.462 0.950 20 5 FCBDRP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000174729277 488850985 /nfs/dbraw/zinc/85/09/85/488850985.db2.gz PFBMSGXJIYDKCY-QGZVFWFLSA-N 2 0 366.462 0.904 20 5 FCBDRP C[C@H](CNc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-])[NH+](C)C ZINC000298327591 489317615 /nfs/dbraw/zinc/31/76/15/489317615.db2.gz VKHXSKXXXBXDHK-GFCCVEGCSA-N 2 0 373.479 0.797 20 5 FCBDRP O=C(Cn1ccc([N+](=O)[O-])n1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000299583285 489458420 /nfs/dbraw/zinc/45/84/20/489458420.db2.gz RKNHOFYGWYXHGJ-UHFFFAOYSA-N 2 0 373.417 0.515 20 5 FCBDRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430642725 489761491 /nfs/dbraw/zinc/76/14/91/489761491.db2.gz KRVWSZIKXNVOKF-CYBMUJFWSA-N 2 0 363.418 0.710 20 5 FCBDRP C[C@@H](C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)CN1CC[NH+](C)CC1 ZINC000520797810 490191426 /nfs/dbraw/zinc/19/14/26/490191426.db2.gz KFVACDUZMBVBRQ-RDJZCZTQSA-N 2 0 366.462 0.808 20 5 FCBDRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422980120 490509942 /nfs/dbraw/zinc/50/99/42/490509942.db2.gz KWJPIQJEISPAKV-QWHCGFSZSA-N 2 0 356.448 0.980 20 5 FCBDRP C[NH+]1CCC(N2CCC([NH2+]C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000579582043 491700876 /nfs/dbraw/zinc/70/08/76/491700876.db2.gz HWIGTIKJCYKFFF-KRWDZBQOSA-N 2 0 366.466 0.300 20 5 FCBDRP O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000592469115 546951721 /nfs/dbraw/zinc/95/17/21/546951721.db2.gz HPYQZYFQUNHGFP-MGPQQGTHSA-N 2 0 368.459 0.851 20 5 FCBDRP CCOc1ccc(NC(=O)CN(C)CCN2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000592472273 1196625360 /nfs/dbraw/zinc/62/53/60/1196625360.db2.gz RATDWWWEBWEQBI-UHFFFAOYSA-N 2 0 365.434 0.769 20 5 FCBDRP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC[C@@H]2C1 ZINC001169026684 1199045058 /nfs/dbraw/zinc/04/50/58/1199045058.db2.gz YRTMXPVHSNIWKJ-YLFCFFPRSA-N 2 0 368.478 0.543 20 5 FCBDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001120588712 1222106716 /nfs/dbraw/zinc/10/67/16/1222106716.db2.gz CMYRYFISOZUOLS-HZPDHXFCSA-N 2 0 366.462 0.950 20 5 FCBDRP [NH3+]C1(c2cccnc2)CCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CC1 ZINC001161586967 1223205503 /nfs/dbraw/zinc/20/55/03/1223205503.db2.gz JWMBCDKHLNTFJS-UHFFFAOYSA-N 2 0 355.402 0.921 20 5 FCBDRP COC(=O)c1ccc([C@H]([NH3+])CNc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)cc1 ZINC001163465805 1223230968 /nfs/dbraw/zinc/23/09/68/1223230968.db2.gz IOMFCPSTEVZJSU-CYBMUJFWSA-N 2 0 372.385 0.970 20 5 FCBDRP CC1([NH+]2CCOCC2)CCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CC1 ZINC001165135781 1223242477 /nfs/dbraw/zinc/24/24/77/1223242477.db2.gz HKERKVPVPQAYGF-UHFFFAOYSA-N 2 0 362.434 0.763 20 5 FCBDRP [NH3+]C1([C@H]2CN(c3ncnc(N4CC[NH2+]CC4)c3[N+](=O)[O-])C[C@H]2CF)CC1 ZINC001165433008 1223246254 /nfs/dbraw/zinc/24/62/54/1223246254.db2.gz VTKDJZDRTKQGET-NEPJUHHUSA-N 2 0 365.413 0.308 20 5 FCBDRP O=C([C@@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1)N1CC[NH2+]CC1 ZINC000923283766 1245705686 /nfs/dbraw/zinc/70/56/86/1245705686.db2.gz YCVKKXNNEBRXSK-NVXWUHKLSA-N 2 0 362.430 0.772 20 5 FCBDRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001335986294 1259931491 /nfs/dbraw/zinc/93/14/91/1259931491.db2.gz MPASHHFLSLYDDE-DOTOQJQBSA-N 2 0 366.462 0.950 20 5 FCBDRP [NH3+]CC(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000414677122 245312467 /nfs/dbraw/zinc/31/24/67/245312467.db2.gz WBVVRCPHANYAEK-OAHLLOKOSA-N 2 0 361.446 0.914 20 5 FCBDRP [NH3+]CC(=O)N1CCC[C@H](C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000414703742 245315067 /nfs/dbraw/zinc/31/50/67/245315067.db2.gz LWZDJBLXSSLSNS-OAHLLOKOSA-N 2 0 361.446 0.914 20 5 FCBDRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000269073736 488467080 /nfs/dbraw/zinc/46/70/80/488467080.db2.gz AQGGAVPCNHXLRR-UHFFFAOYSA-N 2 0 369.470 0.706 20 5 FCBDRP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000569962449 491206698 /nfs/dbraw/zinc/20/66/98/491206698.db2.gz YCGLOZIIOJHFON-BZUAXINKSA-N 2 0 353.423 0.120 20 5 FCBDRP O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000173962936 488846491 /nfs/dbraw/zinc/84/64/91/488846491.db2.gz FBVWPSYMTPBWMS-MRXNPFEDSA-N 2 0 367.450 0.729 20 5 FCBDRP COc1ccc(OCC[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430621446 489756710 /nfs/dbraw/zinc/75/67/10/489756710.db2.gz JUHKMFAQDGJBKZ-CYBMUJFWSA-N 2 0 366.418 0.769 20 5 FCBDRP C[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490653770 489779213 /nfs/dbraw/zinc/77/92/13/489779213.db2.gz YIOFEHCADNPRPT-PVAVHDDUSA-N 2 0 366.466 0.110 20 5 FCBDRP CC(C)[C@@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)N1CC[NH+](C)CC1 ZINC000574444905 491497281 /nfs/dbraw/zinc/49/72/81/491497281.db2.gz HJZGNPCDQANHLG-HZPDHXFCSA-N 2 0 354.455 0.014 20 5 FCBDRP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000602786488 491998418 /nfs/dbraw/zinc/99/84/18/491998418.db2.gz GDAFYENRHIEYFK-UHFFFAOYSA-N 2 0 352.439 0.490 20 5 FCBDRP O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000923365024 667827955 /nfs/dbraw/zinc/82/79/55/667827955.db2.gz FGPWHQDJMGOABQ-HUUCEWRRSA-N 2 0 350.419 0.314 20 5 FCBDRP [NH3+]C[C@@H]1COc2ccccc2N1c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001160195569 1223149861 /nfs/dbraw/zinc/14/98/61/1223149861.db2.gz NXLDZYSDCZZTGF-GFCCVEGCSA-N 2 0 371.401 0.652 20 5 FCBDRP CC[NH+]1CCN([C@H](C)C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC001335934530 1259908865 /nfs/dbraw/zinc/90/88/65/1259908865.db2.gz RXWYIWNJLPEBAU-WBVHZDCISA-N 2 0 366.462 0.950 20 5 FCBDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001335986297 1259931828 /nfs/dbraw/zinc/93/18/28/1259931828.db2.gz MPASHHFLSLYDDE-WBVHZDCISA-N 2 0 366.462 0.950 20 5 FCBDRP COC(=O)[C@@H](C[NH3+])C[NH2+]C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256087470 1259933290 /nfs/dbraw/zinc/93/32/90/1259933290.db2.gz BIMDMSBLZKYFRC-LBPRGKRZSA-N 2 0 366.418 0.910 20 5 FCBDRP COC(=O)c1cc([N+](=O)[O-])c(NC(=[NH2+])N2CC[NH+](C)CC2)cc1OC ZINC001168740400 850592938 /nfs/dbraw/zinc/59/29/38/850592938.db2.gz IAVADRHZIFRTIO-UHFFFAOYSA-N 2 0 351.363 0.984 20 5 FCBDRP [NH3+]CCOCCOCCOCCOCC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168990520 850600974 /nfs/dbraw/zinc/60/09/74/850600974.db2.gz ZZBAEGVVFIMOCH-HZPDHXFCSA-N 2 0 363.455 0.047 20 5 FCBDRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])O1 ZINC001170277989 850648936 /nfs/dbraw/zinc/64/89/36/850648936.db2.gz OBMFWXXWDZMWFN-UEKVPHQBSA-N 2 0 352.395 0.208 20 5 FCBDRP C[NH+](C)CC1(O)CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000931482719 674116973 /nfs/dbraw/zinc/11/69/73/674116973.db2.gz NRDXGXFMERHRCN-AWEZNQCLSA-N 2 0 353.419 0.723 20 5 FCBDRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000269733856 211059568 /nfs/dbraw/zinc/05/95/68/211059568.db2.gz SXQBIMYPRSIUCO-UHFFFAOYSA-N 2 0 367.450 0.489 20 5 FCBDRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000430605794 489751581 /nfs/dbraw/zinc/75/15/81/489751581.db2.gz SIYNWDKNQOURKS-CYBMUJFWSA-N 2 0 363.418 0.710 20 5 FCBDRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000422932331 490500350 /nfs/dbraw/zinc/50/03/50/490500350.db2.gz FNLNJQHZZHFVKI-IUODEOHRSA-N 2 0 356.448 0.851 20 5 FCBDRP COc1ccc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000524709629 490551965 /nfs/dbraw/zinc/55/19/65/490551965.db2.gz RCOJXDDQJZHMGJ-UHFFFAOYSA-N 2 0 374.463 0.717 20 5 FCBDRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000543700904 490942681 /nfs/dbraw/zinc/94/26/81/490942681.db2.gz QAVTZMDFOJNTCF-UHFFFAOYSA-N 2 0 352.439 0.918 20 5 FCBDRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000582900486 491831352 /nfs/dbraw/zinc/83/13/52/491831352.db2.gz OXYOXAACNZNDHO-GOEBONIOSA-N 2 0 352.435 0.560 20 5 FCBDRP O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000592439058 546950771 /nfs/dbraw/zinc/95/07/71/546950771.db2.gz YTUWLUUTKZKPPS-HZSPNIEDSA-N 2 0 368.459 0.851 20 5 FCBDRP O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000923365025 667828134 /nfs/dbraw/zinc/82/81/34/667828134.db2.gz FGPWHQDJMGOABQ-LSDHHAIUSA-N 2 0 350.419 0.314 20 5 FCBDRP O=[N+]([O-])c1cnc(-n2nc(C(F)(F)F)c3c2CC[NH2+]C3)nc1C1C[NH2+]C1 ZINC001154855139 1223020381 /nfs/dbraw/zinc/02/03/81/1223020381.db2.gz UWDBSYVWUDNVBN-UHFFFAOYSA-N 2 0 369.307 0.922 20 5 FCBDRP [NH3+]Cc1cnc2c(ccn2-c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])c1 ZINC001156593505 1223059466 /nfs/dbraw/zinc/05/94/66/1223059466.db2.gz JKCGJDLRSSTMQM-UHFFFAOYSA-N 2 0 354.374 0.592 20 5 FCBDRP [NH3+]Cc1cccc(-c2nnn(-c3ncc([N+](=O)[O-])c(C4C[NH2+]C4)n3)n2)c1 ZINC001158049161 1223088019 /nfs/dbraw/zinc/08/80/19/1223088019.db2.gz WFUNMCHAKBEWOJ-UHFFFAOYSA-N 2 0 353.346 0.173 20 5 FCBDRP [NH3+]C[C@H](CO)c1ccc(Nc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])cc1 ZINC001163049841 1223225065 /nfs/dbraw/zinc/22/50/65/1223225065.db2.gz GWHBVAZESRCDAB-CYBMUJFWSA-N 2 0 373.417 0.573 20 5 FCBDRP O=[N+]([O-])c1cnc(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)nc1C1C[NH2+]C1 ZINC001164968175 722078129 /nfs/dbraw/zinc/07/81/29/722078129.db2.gz UWARQUYTELSINP-OKILXGFUSA-N 2 0 360.418 0.371 20 5 FCBDRP