smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(C[NH+]1CCC(n2cnc3cccnc32)CC1)Nc1ccccc1N1CCOCC1 ZINC000012114677 132354247 /nfs/dbraw/zinc/35/42/47/132354247.db2.gz OKCTVKZBRSKGEV-UHFFFAOYSA-N 1 0 420.517 2.544 40 0 HFABRO COc1ccc2c(c1)C=C(C[N@@H+]1CCc3nc(N4CCC[C@@H](C)C4)[nH]c(=O)c3C1)CO2 ZINC000012185153 132356161 /nfs/dbraw/zinc/35/61/61/132356161.db2.gz FUUHYYVGNZRROZ-MRXNPFEDSA-N 1 0 422.529 2.849 40 0 HFABRO CS(=O)(=O)Nc1cccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000044874566 525223456 /nfs/dbraw/zinc/22/34/56/525223456.db2.gz UXOWENIQRVHSBU-UHFFFAOYSA-N 1 0 401.532 2.974 40 0 HFABRO CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1 ZINC000001719602 534961643 /nfs/dbraw/zinc/96/16/43/534961643.db2.gz RVGYMCTZENVEOJ-UHFFFAOYSA-N 1 0 400.870 2.543 40 0 HFABRO COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000006949878 537130470 /nfs/dbraw/zinc/13/04/70/537130470.db2.gz ZTUSYYJJSWAXFE-UHFFFAOYSA-N 1 0 414.531 2.582 40 0 HFABRO COc1ccc2c3c1O[C@H]1[C@@]34CC[N@@H+](C)[C@@H](C2)[C@@]42CC[C@]1(OC)c1c(O)ccc(O)c12 ZINC000004962187 557617484 /nfs/dbraw/zinc/61/74/84/557617484.db2.gz YZNGNRIKFYLUTN-LSBQCCANSA-N 1 0 421.493 2.953 40 0 HFABRO C=C1NC(NN)=[NH+][C@@H](c2ccc(OCc3ccccc3)c(OCC)c2)C1C(=O)OCC ZINC000408730856 557790728 /nfs/dbraw/zinc/79/07/28/557790728.db2.gz JNJLPGMTTLDMKP-NRFANRHFSA-N 1 0 424.501 2.965 40 0 HFABRO C=C1NC(NN)=[NH+][C@@H](c2ccc(OCc3ccccc3)c(OC)c2)C1C(=O)OCC ZINC000408732734 557799757 /nfs/dbraw/zinc/79/97/57/557799757.db2.gz YBGBXWYXHIDNLZ-FQEVSTJZSA-N 1 0 410.474 2.575 40 0 HFABRO Cc1nn(C)cc1C[N@@H+]1CCC[C@@H](c2nc(C)c3c(n2)N(CC2CC2)C(=O)CC3)C1 ZINC000019741297 558262081 /nfs/dbraw/zinc/26/20/81/558262081.db2.gz KMRZDWFIJLZRNO-GOSISDBHSA-N 1 0 408.550 2.896 40 0 HFABRO Cc1nc([C@H]2CCC[N@H+](CCO)C2)nc2c1CCC(=O)N2CCCc1ccccc1 ZINC000019741640 558262264 /nfs/dbraw/zinc/26/22/64/558262264.db2.gz CDZXKRZKFMYYDG-FQEVSTJZSA-N 1 0 408.546 2.869 40 0 HFABRO CS(=O)(=O)N1Cc2ccccc2O[C@]2(CCC[N@H+](CCc3ccccc3)C2)C1 ZINC000012087212 558321991 /nfs/dbraw/zinc/32/19/91/558321991.db2.gz XPUVMFPINUGKRC-QFIPXVFZSA-N 1 0 400.544 2.918 40 0 HFABRO CCc1nn(CC(=O)NCCC[NH+]2CCC(C)CC2)c(=O)c2cc3ccsc3n21 ZINC000012114305 558327257 /nfs/dbraw/zinc/32/72/57/558327257.db2.gz JIIJVKKSAQVTJF-UHFFFAOYSA-N 1 0 415.563 2.511 40 0 HFABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1 ZINC000020106525 558333683 /nfs/dbraw/zinc/33/36/83/558333683.db2.gz PFTVTYSKNQXMQW-NRFANRHFSA-N 1 0 421.607 2.997 40 0 HFABRO COc1ccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2cnc(OC)nc2OC)c(F)c1 ZINC000012181028 558342728 /nfs/dbraw/zinc/34/27/28/558342728.db2.gz AILMATPYZXGZQK-XVQYUUQNSA-N 1 0 417.481 2.761 40 0 HFABRO CC(C)(C)c1nn(-c2ccc(F)cc2)c2[nH]c(=O)c(C[NH2+]C[C@@H]3COCCO3)cc12 ZINC000012186542 558345595 /nfs/dbraw/zinc/34/55/95/558345595.db2.gz PIXMQUISADFTJG-QGZVFWFLSA-N 1 0 414.481 2.655 40 0 HFABRO [NH2+]=C(NC1=N[C@H](CC(=O)Nc2cccc3ccccc32)C(=O)N1)Nc1ccccc1 ZINC000020635276 558395690 /nfs/dbraw/zinc/39/56/90/558395690.db2.gz GCXBKACMYFQLEC-GOSISDBHSA-N 1 0 400.442 2.659 40 0 HFABRO CCOC(=O)C1=C(O)NC(N2CCN(c3ccccc3)CC2)=[NH+][C@H]1c1ccc(C)cc1 ZINC000020637192 558396509 /nfs/dbraw/zinc/39/65/09/558396509.db2.gz IZJSJUGWVYAWQP-RTWAWAEBSA-N 1 0 420.513 2.523 40 0 HFABRO COc1ncc([C@@]2(O)CC[C@@H]3C[N@H+](Cc4ccc5c(c4)C[C@H](C)O5)C[C@@H]32)c(OC)n1 ZINC000012407240 558398428 /nfs/dbraw/zinc/39/84/28/558398428.db2.gz YKQDIJZVIHRGJV-IUOOBWKPSA-N 1 0 411.502 2.547 40 0 HFABRO [NH2+]=C(NC1=N[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1)Nc1ccccc1 ZINC000020799058 558415132 /nfs/dbraw/zinc/41/51/32/558415132.db2.gz SBODWCICKFFTJD-AWEZNQCLSA-N 1 0 418.379 2.525 40 0 HFABRO Cc1ccc(N2C(=O)C[C@H]([NH2+]CC3CCN(c4nc(C)cc(C)n4)CC3)C2=O)cc1 ZINC000022145561 558464753 /nfs/dbraw/zinc/46/47/53/558464753.db2.gz ZMPQFRUYXHXLCJ-FQEVSTJZSA-N 1 0 407.518 2.540 40 0 HFABRO CCc1ccccc1N(CC(=O)NCCC[NH+](C)C)S(=O)(=O)c1ccc(C)cc1 ZINC000013647252 558557239 /nfs/dbraw/zinc/55/72/39/558557239.db2.gz LPIAQTYUBHVEFR-UHFFFAOYSA-N 1 0 417.575 2.821 40 0 HFABRO Cc1ccc(Cl)cc1N([C@H](C)C(=O)NCCC[NH+]1CCCCC1)S(C)(=O)=O ZINC000013669115 558560899 /nfs/dbraw/zinc/56/08/99/558560899.db2.gz JAYVRMIUBWPNTB-MRXNPFEDSA-N 1 0 415.987 2.795 40 0 HFABRO COc1ccc(OC)c([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)c2ccnn2C)c1 ZINC000036743742 558802529 /nfs/dbraw/zinc/80/25/29/558802529.db2.gz KUSWNVFZKMHWHC-LEWJYISDSA-N 1 0 420.513 2.835 40 0 HFABRO C[C@@H](C(=O)N1CCNC(=O)[C@@H](Cc2ccccc2-c2ccncc2)C1)[NH+]1CCCCC1 ZINC000019079210 558838804 /nfs/dbraw/zinc/83/88/04/558838804.db2.gz GLVGSWVHYNAPSC-UGKGYDQZSA-N 1 0 420.557 2.740 40 0 HFABRO COc1ccc(CC(=O)NC2CC[NH+](Cc3cc(-c4ccccn4)nn3C)CC2)cc1 ZINC000019288957 558861764 /nfs/dbraw/zinc/86/17/64/558861764.db2.gz CSMFTYIMSUBDBK-UHFFFAOYSA-N 1 0 419.529 2.814 40 0 HFABRO COc1ccccc1-c1ccccc1C[C@@H]1C[N@H+](Cc2cnn(C)c2)CCNC1=O ZINC000019290704 558863003 /nfs/dbraw/zinc/86/30/03/558863003.db2.gz MBFZAJMCLPMTIM-HXUWFJFHSA-N 1 0 404.514 2.886 40 0 HFABRO O=C(CC[NH+]1CCN(c2ccccn2)CC1)N1CCC(Oc2ccccc2F)CC1 ZINC000019350127 558875544 /nfs/dbraw/zinc/87/55/44/558875544.db2.gz XOADYNMZEMPSQL-UHFFFAOYSA-N 1 0 412.509 2.803 40 0 HFABRO O=C(CCn1cccn1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](C1CCCC1)C2 ZINC000019406115 558885176 /nfs/dbraw/zinc/88/51/76/558885176.db2.gz IPLGQSSSQVAVMV-FQEVSTJZSA-N 1 0 424.549 2.823 40 0 HFABRO COc1ccc(C2=NO[C@@](C)(C(=O)Nc3nnc(CC[NH+]4CCCC4)s3)C2)cc1 ZINC000019460857 558893612 /nfs/dbraw/zinc/89/36/12/558893612.db2.gz AIHUICKDDRSUSI-HXUWFJFHSA-N 1 0 415.519 2.707 40 0 HFABRO CCS(=O)(=O)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)C[N@@H+](C2CCC(C)CC2)CC3)C1 ZINC000019520309 558901314 /nfs/dbraw/zinc/90/13/14/558901314.db2.gz WTPGNTWKGYLFRW-AQFXKWCLSA-N 1 0 422.595 2.648 40 0 HFABRO CC[NH+]1CCC(n2nccc2NC(=O)CCc2cc3c(cc2OC)OCCO3)CC1 ZINC000019527052 558908082 /nfs/dbraw/zinc/90/80/82/558908082.db2.gz BOUOYNPTWGCOFR-UHFFFAOYSA-N 1 0 414.506 2.891 40 0 HFABRO CCOc1ncc(C2(O)[C@@H]3CCC[C@H]2C[N@@H+](CC2=CCCOC2)C3)c(OCC)n1 ZINC000019531619 558912091 /nfs/dbraw/zinc/91/20/91/558912091.db2.gz XMZSNDZRSSXAIN-VSOVRNOCSA-N 1 0 403.523 2.540 40 0 HFABRO COc1cc2c(cc1C[N@@H+]1C[C@@H](c3ccccn3)[C@]3(C1)CCCCC(=O)N3)OCCO2 ZINC000019550619 558915187 /nfs/dbraw/zinc/91/51/87/558915187.db2.gz RIHXCBWMKMKMDO-MHECFPHRSA-N 1 0 423.513 2.890 40 0 HFABRO Cc1cc(C[N@@H+]2CCC[C@@H](c3nc4c(c(=O)[nH]3)CN(C(=O)C3CC3)CC4)C2)cs1 ZINC000019572048 558930499 /nfs/dbraw/zinc/93/04/99/558930499.db2.gz VDZUWCSROUUVSC-QGZVFWFLSA-N 1 0 412.559 2.814 40 0 HFABRO CCCn1ncc(C[NH+]2CCC([C@@H]3Nc4ccccc4S(=O)(=O)N3)CC2)c1C ZINC000072338944 558938400 /nfs/dbraw/zinc/93/84/00/558938400.db2.gz RFMPGYOMTLBEOK-HXUWFJFHSA-N 1 0 403.552 2.544 40 0 HFABRO COc1nn(CC(=O)N2CCCC[C@H]2C[NH+]2CCCCCC2)c(=O)c2ccccc21 ZINC000019594893 558945589 /nfs/dbraw/zinc/94/55/89/558945589.db2.gz FBQKIUFVCDBGIW-SFHVURJKSA-N 1 0 412.534 2.662 40 0 HFABRO Cc1cccnc1Nc1ccc([C@@H]2CCC[N@H+](CCC(=O)N3CCOCC3)C2)nc1 ZINC000072353278 558950132 /nfs/dbraw/zinc/95/01/32/558950132.db2.gz OMXKGMVUMZAVSP-LJQANCHMSA-N 1 0 409.534 2.957 40 0 HFABRO CC(=O)N1CC[N@H+](Cc2ccc3[nH]ccc3c2)C[C@@H](Cc2cc(N(C)C)ncn2)C1 ZINC000072355247 558952469 /nfs/dbraw/zinc/95/24/69/558952469.db2.gz FJEJFRPOXGHMSZ-LJQANCHMSA-N 1 0 406.534 2.547 40 0 HFABRO CC(=O)NCc1cnc([C@H]2CCC[N@@H+]2C2CCN(C(C)=O)CC2)cc1C(F)(F)F ZINC000072356212 558953081 /nfs/dbraw/zinc/95/30/81/558953081.db2.gz JAFVYJYPOHOMBT-LJQANCHMSA-N 1 0 412.456 2.884 40 0 HFABRO Cc1cc(C(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)c2c(=O)[nH]c(=O)n(C)c2n1 ZINC000019662621 558953573 /nfs/dbraw/zinc/95/35/73/558953573.db2.gz LPMRERICQJCCQV-UHFFFAOYSA-N 1 0 421.501 2.559 40 0 HFABRO CC(=O)N1CCc2nc(C3CC[NH+](C)CC3)nc(N(C)CCc3ccccc3)c2C1 ZINC000072372297 558959770 /nfs/dbraw/zinc/95/97/70/558959770.db2.gz CTHHUCTUHOPLIR-UHFFFAOYSA-N 1 0 407.562 2.869 40 0 HFABRO O=C(C[N@@H+]1CCC[C@H]2CCCC[C@@H]21)N1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000072373076 558960766 /nfs/dbraw/zinc/96/07/66/558960766.db2.gz DKMFOTAVDJZKEB-DYXWJJEUSA-N 1 0 412.578 2.940 40 0 HFABRO C[C@@H]1C[C@@H](C)CN(C(=O)C[N@@H+]2CCC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)C1 ZINC000072373063 558960796 /nfs/dbraw/zinc/96/07/96/558960796.db2.gz CFNKKKRZSVULGS-QRVBRYPASA-N 1 0 400.567 2.654 40 0 HFABRO O=C(C[N@@H+]1CC[C@@H](c2ccccc2)C1)N1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000072373077 558960932 /nfs/dbraw/zinc/96/09/32/558960932.db2.gz BMZDMHVZCICRRQ-RTWAWAEBSA-N 1 0 420.557 2.775 40 0 HFABRO COCCN1C[C@@H](c2cc(N(C)C)nc(C3CC[NH+](C4CCCC4)CC3)n2)CC1=O ZINC000019697501 558965066 /nfs/dbraw/zinc/96/50/66/558965066.db2.gz ROKRLTNHNPUNIA-SFHVURJKSA-N 1 0 415.582 2.627 40 0 HFABRO C[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H](c3cc(=O)n4c(n3)CCCCC4)C2)[C@H]1C ZINC000257367375 559017885 /nfs/dbraw/zinc/01/78/85/559017885.db2.gz BSYPWKCGXZDDHV-CEXWTWQISA-N 1 0 400.567 2.796 40 0 HFABRO Cc1nc(C)c(C[N@@H+]2CCC[C@]3(CCC(=O)N3CC(=O)N3CCCC3)CC2)s1 ZINC000585100472 559024025 /nfs/dbraw/zinc/02/40/25/559024025.db2.gz LCFIVSIKOZRHJV-NRFANRHFSA-N 1 0 404.580 2.729 40 0 HFABRO CCN(Cc1ccncc1)C(=O)[C@@H]1C[N@H+](Cc2cnn(CC)c2)CC12CCOCC2 ZINC000585101900 559025036 /nfs/dbraw/zinc/02/50/36/559025036.db2.gz IQSYXCGCLAIRDP-NRFANRHFSA-N 1 0 411.550 2.575 40 0 HFABRO CCN(Cc1ccncc1)C(=O)[C@H]1C[N@H+](Cc2cnn(CC)c2)CC12CCOCC2 ZINC000585101901 559025126 /nfs/dbraw/zinc/02/51/26/559025126.db2.gz IQSYXCGCLAIRDP-OAQYLSRUSA-N 1 0 411.550 2.575 40 0 HFABRO CC(C)OC(=O)NC1CC2(C1)CC[NH+](Cc1ccnc(N3CCOCC3)c1)CC2 ZINC000585103850 559025788 /nfs/dbraw/zinc/02/57/88/559025788.db2.gz SCQHPEYJOXUDRA-UHFFFAOYSA-N 1 0 402.539 2.797 40 0 HFABRO COCC[N@H+](C[C@H]1CC2(CO1)CCN(C(=O)Cc1ccc(O)cc1)CC2)C(C)C ZINC000585104218 559026369 /nfs/dbraw/zinc/02/63/69/559026369.db2.gz MYNZMDKKXFZPQF-OAQYLSRUSA-N 1 0 404.551 2.689 40 0 HFABRO C[N@@H+](Cc1cccnc1)C[C@H]1CC2(CO1)CCN(C(=O)Cc1ccc(O)cc1)CC2 ZINC000585105097 559027508 /nfs/dbraw/zinc/02/75/08/559027508.db2.gz XYJPUWQDRKLHSJ-JOCHJYFZSA-N 1 0 409.530 2.859 40 0 HFABRO CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc(C)c(F)c2)CC1 ZINC000585106306 559028691 /nfs/dbraw/zinc/02/86/91/559028691.db2.gz QLGUSYUHQMULNU-QRQLOZEOSA-N 1 0 401.526 2.975 40 0 HFABRO CCN(CC)C(=O)[C@H]1Cn2ccnc2C2(CC[NH+](Cc3ccc(OC)cc3)CC2)O1 ZINC000096036874 559090684 /nfs/dbraw/zinc/09/06/84/559090684.db2.gz BMXAOQDELRYUJN-HXUWFJFHSA-N 1 0 412.534 2.650 40 0 HFABRO CC(C)CNC(=O)[C@H]1Cn2ccnc2C2(CC[NH+](Cc3ccc(F)cc3)CC2)O1 ZINC000096036776 559090692 /nfs/dbraw/zinc/09/06/92/559090692.db2.gz RLUIVCIMTZZPOM-LJQANCHMSA-N 1 0 400.498 2.685 40 0 HFABRO CC(=O)N1CCn2c(-c3cnn(C)c3)cnc2C12CC[NH+](Cc1ccc(C)o1)CC2 ZINC000096036937 559090802 /nfs/dbraw/zinc/09/08/02/559090802.db2.gz SOHUGSQZAFFMPJ-UHFFFAOYSA-N 1 0 408.506 2.538 40 0 HFABRO Cn1cc(C[NH+]2CCC3(C[C@H](CC(=O)N4CCOCC4)c4ccccc43)CC2)cn1 ZINC000096052801 559092382 /nfs/dbraw/zinc/09/23/82/559092382.db2.gz OSRATUZQRJHYEP-FQEVSTJZSA-N 1 0 408.546 2.690 40 0 HFABRO COc1ccc(C[N@@H+]2CCC[C@]3(C(=O)N(C)C)CN(c4ccccn4)C[C@@H]3C2)cc1 ZINC000096056129 559094020 /nfs/dbraw/zinc/09/40/20/559094020.db2.gz MPQQCYYWMNCDQN-RDPSFJRHSA-N 1 0 408.546 2.897 40 0 HFABRO CCN1C(=O)[C@H]2C[N@H+](CC(C)C)C[C@H]2C12CCN(C(=O)c1cccc(OC)c1)CC2 ZINC000096143598 559096010 /nfs/dbraw/zinc/09/60/10/559096010.db2.gz CKQNRMWPQGRYME-LEWJYISDSA-N 1 0 413.562 2.736 40 0 HFABRO CC(C)C[N@@H+]1CC2(CCN(C(=O)NCc3ccccc3)CC2)[C@]2(CCN(C)C2=O)C1 ZINC000096144025 559096369 /nfs/dbraw/zinc/09/63/69/559096369.db2.gz IJXJOORYAKSDHA-XMMPIXPASA-N 1 0 412.578 2.799 40 0 HFABRO COc1cccc(C[NH+]2CCC3(CC2)O[C@H](C(=O)N2CCCCC2)Cn2ccnc23)c1 ZINC000096144802 559096842 /nfs/dbraw/zinc/09/68/42/559096842.db2.gz BHVFCMLKEJVMIN-NRFANRHFSA-N 1 0 424.545 2.794 40 0 HFABRO COc1ncccc1CN1Cc2ccccc2C2(CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000096242429 559103953 /nfs/dbraw/zinc/10/39/53/559103953.db2.gz QZCFRGGAWPCFOH-UHFFFAOYSA-N 1 0 408.546 2.528 40 0 HFABRO COc1cccc(OC[C@@H](O)C[N@H+](C)Cc2ccc(OCCn3cccn3)cc2)c1 ZINC000585271185 559116591 /nfs/dbraw/zinc/11/65/91/559116591.db2.gz SYTFVFCBQWTIIU-FQEVSTJZSA-N 1 0 411.502 2.842 40 0 HFABRO COCC(=O)N1CC[N@@H+](C2CCCCC2)C[C@@](O)(COc2ccc(C)c(C)c2)C1 ZINC000585282748 559120247 /nfs/dbraw/zinc/12/02/47/559120247.db2.gz NITSQZMEZPKXNZ-QHCPKHFHSA-N 1 0 404.551 2.537 40 0 HFABRO Cc1cccc(C[NH2+]C[C@@]2(O)CCN(C(=O)Cc3ccc(Cl)cc3)C[C@@H]2O)c1C ZINC000585283011 559120313 /nfs/dbraw/zinc/12/03/13/559120313.db2.gz AOFFKRNISWEJSK-GMAHTHKFSA-N 1 0 416.949 2.613 40 0 HFABRO CCCCc1ccc(C[NH2+]C[C@@]2(O)CCN(C(=O)Cc3ccccc3)C[C@@H]2O)cc1 ZINC000585289386 559122436 /nfs/dbraw/zinc/12/24/36/559122436.db2.gz FQOPQHYNVGJPDF-ZCYQVOJMSA-N 1 0 410.558 2.686 40 0 HFABRO Cc1cnc(Nc2cc(C[C@H]3CCCN(C(=O)/C=C/C[NH+](C)C)C3)ncn2)s1 ZINC000585292716 559124401 /nfs/dbraw/zinc/12/44/01/559124401.db2.gz RSMAPURKROAHRY-BIENSFFJSA-N 1 0 400.552 2.884 40 0 HFABRO CCN1CC[C@]2(CN(c3ncccn3)CC23CC[NH+](Cc2ccc(F)cc2)CC3)C1=O ZINC000097952895 559125070 /nfs/dbraw/zinc/12/50/70/559125070.db2.gz JTNDTMHAIZURLQ-DEOSSOPVSA-N 1 0 423.536 2.957 40 0 HFABRO CCCOc1ccc(N2C(=O)C[C@@H](N3CC[NH+](CCc4ccccc4)CC3)C2=O)cc1 ZINC000102405606 559150114 /nfs/dbraw/zinc/15/01/14/559150114.db2.gz JNAXSYBBBVBTMV-HSZRJFAPSA-N 1 0 421.541 2.968 40 0 HFABRO O=S(=O)(c1ccccc1)N1C[C@H]2CN(C3CC[NH+](Cc4ccccc4)CC3)[C@@H]2C1 ZINC000107816066 559166043 /nfs/dbraw/zinc/16/60/43/559166043.db2.gz BJOQEGDXVHMAMJ-NZQKXSOJSA-N 1 0 411.571 2.656 40 0 HFABRO CCCN1CCN(C(=O)C[NH2+]C)C[C@H](Cc2ccccc2-c2ccccc2OC)C1=O ZINC000257300151 559285838 /nfs/dbraw/zinc/28/58/38/559285838.db2.gz RTDGNKNFGIWXHP-FQEVSTJZSA-N 1 0 423.557 2.821 40 0 HFABRO CC[NH+](CC)CCCNC(=S)N(CCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000004132957 560600196 /nfs/dbraw/zinc/60/01/96/560600196.db2.gz YLBXKVBSTPCDAQ-UHFFFAOYSA-N 1 0 418.607 2.546 40 0 HFABRO CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCCCC1)c1cccc2ccccc21 ZINC000010278142 560766490 /nfs/dbraw/zinc/76/64/90/560766490.db2.gz LSJHMZWQJZQJES-UHFFFAOYSA-N 1 0 403.548 2.598 40 0 HFABRO C[NH+](C)CCCNC(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000014396497 560841393 /nfs/dbraw/zinc/84/13/93/560841393.db2.gz PTSPZHYCVUIPOJ-UHFFFAOYSA-N 1 0 410.367 2.608 40 0 HFABRO O=C(CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O)NCCC[NH+]1CCCC1 ZINC000216281031 568464153 /nfs/dbraw/zinc/46/41/53/568464153.db2.gz NFWOLKUTSODRDS-UHFFFAOYSA-N 1 0 417.506 2.604 40 0 HFABRO C[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3ccc4nsnc4c3)cc2)CC1 ZINC000021595220 568467470 /nfs/dbraw/zinc/46/74/70/568467470.db2.gz USIMPCWYWNQDDM-UHFFFAOYSA-N 1 0 412.544 2.570 40 0 HFABRO COc1ccc(CC[NH2+]Cc2cc(Cl)c(OCC(N)=O)c(OC)c2)cc1OC ZINC000022074331 568473779 /nfs/dbraw/zinc/47/37/79/568473779.db2.gz WPACXOXMVUNTIN-UHFFFAOYSA-N 1 0 408.882 2.562 40 0 HFABRO CN(c1cccc(C(=O)NCCC[NH+](C)C)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224272604 568576006 /nfs/dbraw/zinc/57/60/06/568576006.db2.gz QGGUNVSCPTUDEC-UHFFFAOYSA-N 1 0 409.939 2.847 40 0 HFABRO C[C@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)N(c1ccccc1)S(C)(=O)=O ZINC000224600889 568587316 /nfs/dbraw/zinc/58/73/16/568587316.db2.gz FEHBPQDNWNEALV-GOSISDBHSA-N 1 0 415.559 2.753 40 0 HFABRO CN(c1ccc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1)S(C)(=O)=O ZINC000224605424 568587703 /nfs/dbraw/zinc/58/77/03/568587703.db2.gz UIDALOTWZJOSKS-UHFFFAOYSA-N 1 0 401.532 2.608 40 0 HFABRO COC(=O)CSc1nnc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000225614207 568657126 /nfs/dbraw/zinc/65/71/26/568657126.db2.gz RHOYIIKVMUCHIZ-UHFFFAOYSA-N 1 0 406.533 2.654 40 0 HFABRO CC1(C)Oc2ccccc2[C@H]2OCC3(CC[NH+](CC(=O)N4CCOCC4)CC3)C[C@@H]21 ZINC000257203863 568777074 /nfs/dbraw/zinc/77/70/74/568777074.db2.gz ARZGFRZHIUPMND-SIKLNZKXSA-N 1 0 414.546 2.876 40 0 HFABRO C[NH+]1CCC(Cc2ccccc2F)(C(=O)N2CC[C@H](O)[C@@H](n3ccnc3)CC2)CC1 ZINC000257282661 568799165 /nfs/dbraw/zinc/79/91/65/568799165.db2.gz OURLEKOGCKHRJJ-SFTDATJTSA-N 1 0 414.525 2.501 40 0 HFABRO COCCN1C(=O)Cc2c1nc([C@]1(C)CCC[N@H+](Cc3scnc3C)C1)nc2C ZINC000257289030 568801328 /nfs/dbraw/zinc/80/13/28/568801328.db2.gz PWRKIVKWQQAKFP-OAQYLSRUSA-N 1 0 415.563 2.639 40 0 HFABRO Cc1nccn1[C@@H]1CCC[C@@H](NC(=O)c2ccc(OCC[NH+]3CCCC3)cc2)[C@H]1O ZINC000257306440 568806485 /nfs/dbraw/zinc/80/64/85/568806485.db2.gz SUHDTGGOBBAUSP-YPAWHYETSA-N 1 0 412.534 2.551 40 0 HFABRO CCc1ncc2c(n1)C1(CCN(Cc3cccc(Cl)c3)CC1)CN(C)S2(=O)=O ZINC000306124289 568887313 /nfs/dbraw/zinc/88/73/13/568887313.db2.gz BMARHJHBRCHHAI-UHFFFAOYSA-N 1 0 420.966 2.860 40 0 HFABRO CC(=O)N1C[C@@H](C(=O)Nc2cccc(F)c2)O[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000306125070 568887839 /nfs/dbraw/zinc/88/78/39/568887839.db2.gz CGEHQONXOYPJSU-GMAHTHKFSA-N 1 0 411.477 2.656 40 0 HFABRO COc1ccc(CN2CCO[C@@]3(C[N@@H+](C4CCC4)C[C@H]3c3cccnc3)C2=O)cc1 ZINC000306125314 568888192 /nfs/dbraw/zinc/88/81/92/568888192.db2.gz CMHACGRMSYKICE-LADGPHEKSA-N 1 0 407.514 2.840 40 0 HFABRO O=C(c1ccc2c(c1)OCO2)N1CCO[C@]2(CCCC[C@H]2[NH2+]Cc2cccnc2)C1 ZINC000306129998 568892473 /nfs/dbraw/zinc/89/24/73/568892473.db2.gz ITRDMNMLAGMEKL-FYYLOGMGSA-N 1 0 409.486 2.754 40 0 HFABRO Cc1cc(C)cc(C[N@@H+]2CC[C@]3(CCn4c3nn(Cc3cccs3)c(=O)c4=O)C2)c1 ZINC000306133989 568896172 /nfs/dbraw/zinc/89/61/72/568896172.db2.gz NBAVYZJDATZYAW-QHCPKHFHSA-N 1 0 422.554 2.679 40 0 HFABRO O=C(Nc1ccccc1)c1nnc2n1C[C@H]1C[N@@H+](Cc3ccc4c(c3)OCO4)C[C@H]1C2 ZINC000306136340 568898072 /nfs/dbraw/zinc/89/80/72/568898072.db2.gz PQMUAVORWZQSIC-IAGOWNOFSA-N 1 0 417.469 2.563 40 0 HFABRO COCCN1CC[C@]2(C[N@H+](Cc3cccs3)C[C@@H]2c2cn(C(C)C)cn2)C1=O ZINC000306137150 568899230 /nfs/dbraw/zinc/89/92/30/568899230.db2.gz QMQXVXDYDKHLOA-WIYYLYMNSA-N 1 0 402.564 2.990 40 0 HFABRO COc1cccc(C[N@H+]2C[C@H]3Cc4nnc(C(=O)Nc5ccccc5)n4C[C@@H]3C2)c1 ZINC000306142006 568903520 /nfs/dbraw/zinc/90/35/20/568903520.db2.gz WMQCXBBSUCTVOW-MSOLQXFVSA-N 1 0 403.486 2.843 40 0 HFABRO O=C1N(Cc2ccccc2)CCO[C@]12C[N@H+](Cc1ccncc1)C[C@@H]2c1cccnc1 ZINC000306144045 568905383 /nfs/dbraw/zinc/90/53/83/568905383.db2.gz YUIXZJRWCDQNIP-NOZRDPDXSA-N 1 0 414.509 2.874 40 0 HFABRO O=C1N(Cc2cccnc2)CCO[C@]12C[N@H+](Cc1ccsc1)C[C@H]2c1cccnc1 ZINC000306145161 568906410 /nfs/dbraw/zinc/90/64/10/568906410.db2.gz ZZUNTUDDSAEDDY-GMAHTHKFSA-N 1 0 420.538 2.935 40 0 HFABRO CCOC[C@]1(C[NH3+])[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218169853 568926910 /nfs/dbraw/zinc/92/69/10/568926910.db2.gz OUSLNOBMRLNRBX-QHAWAJNXSA-N 1 0 403.500 2.645 40 0 HFABRO CC(C)(C)OC(=O)N[C@@]1(C[NH3+])[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218657415 568942809 /nfs/dbraw/zinc/94/28/09/568942809.db2.gz IDDWGOGVDCIUJZ-LQWHRVPQSA-N 1 0 420.506 2.988 40 0 HFABRO C[NH+](C)CCCNc1nc(Nc2c(F)ccc(F)c2F)cc(-c2ccccn2)n1 ZINC000329043145 568974355 /nfs/dbraw/zinc/97/43/55/568974355.db2.gz SRWDEDQYYYXZHD-UHFFFAOYSA-N 1 0 402.424 2.907 40 0 HFABRO O=C([C@H]1CCOC1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@H+](CC1CCCCC1)CC2 ZINC000019014809 569345212 /nfs/dbraw/zinc/34/52/12/569345212.db2.gz BEXGEKOKCRXIII-PXNSSMCTSA-N 1 0 414.550 2.821 40 0 HFABRO O=C(C[N@@H+]1CC[C@H](c2ccccc2)C1)N1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000019369976 569345402 /nfs/dbraw/zinc/34/54/02/569345402.db2.gz BMZDMHVZCICRRQ-LEWJYISDSA-N 1 0 420.557 2.775 40 0 HFABRO CN(C)c1cc(CN(C)C(=O)c2nccc3ccccc32)nc([C@@H]2CCC[NH2+]C2)n1 ZINC000019709715 569348047 /nfs/dbraw/zinc/34/80/47/569348047.db2.gz VUYXIGCGHLXYPJ-QGZVFWFLSA-N 1 0 404.518 2.830 40 0 HFABRO CCn1ccnc1C[NH2+][C@H]1CC[C@]2(CCC(=O)N2)[C@@H](c2ccc(OC)c(OC)c2)C1 ZINC000019740346 569348661 /nfs/dbraw/zinc/34/86/61/569348661.db2.gz RBQFMUHLVCPUOO-IXFSTUDKSA-N 1 0 412.534 2.995 40 0 HFABRO CNc1cc(C[NH+](C)C)nc([C@@H]2CCCN2C(=O)CCc2ccc(N(C)C)cc2)n1 ZINC000019760550 569348919 /nfs/dbraw/zinc/34/89/19/569348919.db2.gz WUTOOTYQNYQICH-FQEVSTJZSA-N 1 0 410.566 2.942 40 0 HFABRO Cc1cccc2c1NC(=O)[C@]21[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000009109893 569391559 /nfs/dbraw/zinc/39/15/59/569391559.db2.gz QAJZBSFVLUGAKL-YTSMVRMISA-N 1 0 405.429 2.565 40 0 HFABRO CSCC(=O)N1C[C@H]2C[C@@H](C1)Cn1c2ccc(-c2ccccc2C[NH+](C)C)c1=O ZINC000004237222 291226093 /nfs/dbraw/zinc/22/60/93/291226093.db2.gz FGKPAZLEMJWMIF-FUHWJXTLSA-N 1 0 411.571 2.886 40 0 biogenic,in-vitro HFABRO CC[NH+](CC)Cc1ccc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc1 ZINC000020459241 520753722 /nfs/dbraw/zinc/75/37/22/520753722.db2.gz NFKSZKJZNZLEEG-HXUWFJFHSA-N 1 0 417.531 2.694 40 0 HFABRO CCCCCC(=O)NC(=S)Nc1cc(C(=O)OC)ccc1N1CC[NH+](C)CC1 ZINC000408571441 557469071 /nfs/dbraw/zinc/46/90/71/557469071.db2.gz BESDEZMCUSMZEX-UHFFFAOYSA-N 1 0 406.552 2.618 40 0 HFABRO CSCC[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]21 ZINC000009044200 557820340 /nfs/dbraw/zinc/82/03/40/557820340.db2.gz YOQDNMMJGUOMEP-VPCSNGCSSA-N 1 0 421.950 2.612 40 0 HFABRO COc1ccccc1NC(=O)c1cnc([C@H]2CCCCN2C(=O)C[NH+](C)C)nc1C ZINC000019753429 558272772 /nfs/dbraw/zinc/27/27/72/558272772.db2.gz FIDONUKWYSJZNA-GOSISDBHSA-N 1 0 411.506 2.661 40 0 HFABRO Cc1nc([C@H]2CCC[N@@H+](Cc3cnn(C)c3)C2)ncc1C(=O)NCc1ccccc1 ZINC000019763524 558277445 /nfs/dbraw/zinc/27/74/45/558277445.db2.gz KKHDNSAALMNRDR-FQEVSTJZSA-N 1 0 404.518 2.828 40 0 HFABRO CCOc1nc(C)c(CC(=O)N2CCCC[C@@H]2C[NH+]2CCCCC2)c(OCC)n1 ZINC000012275443 558363901 /nfs/dbraw/zinc/36/39/01/558363901.db2.gz YFPCLHMSBOURSH-GOSISDBHSA-N 1 0 404.555 2.992 40 0 HFABRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)C1 ZINC000020481519 558375232 /nfs/dbraw/zinc/37/52/32/558375232.db2.gz BMNUAUGFGWLMEO-ZIAGYGMSSA-N 1 0 401.960 2.809 40 0 HFABRO COc1cccc(CN2CC[N@H+](Cc3cn(CC(N)=O)c4ccccc34)[C@@H](C)C2)c1 ZINC000022035621 558459257 /nfs/dbraw/zinc/45/92/57/558459257.db2.gz VJXKUNOPIUFFIJ-SFHVURJKSA-N 1 0 406.530 2.842 40 0 HFABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCC[NH+](C)C)c2ccc(C(C)C)cc2)cc1 ZINC000013668452 558560364 /nfs/dbraw/zinc/56/03/64/558560364.db2.gz FGPUBXOLVMNEHL-UHFFFAOYSA-N 1 0 417.575 2.992 40 0 HFABRO CC1CC[NH+](CCCNC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)CC1 ZINC000013676450 558564682 /nfs/dbraw/zinc/56/46/82/558564682.db2.gz DGYVCLYMAQMYLY-UHFFFAOYSA-N 1 0 423.623 2.988 40 0 HFABRO CCOc1cc(C[NH2+]C(C)C)c(Br)c(Br)c1OCC(N)=O ZINC000036612918 558728053 /nfs/dbraw/zinc/72/80/53/558728053.db2.gz KPFJYWYWHCUENK-UHFFFAOYSA-N 1 0 424.133 2.972 40 0 HFABRO CC(C)(C)c1nn(-c2ccccc2)c2[nH]c(=O)c(C[NH2+]CCCN3CCOCC3)cc12 ZINC000036740445 558801697 /nfs/dbraw/zinc/80/16/97/558801697.db2.gz XHGKBDGZTSQUFU-UHFFFAOYSA-N 1 0 423.561 2.823 40 0 HFABRO CC(=O)N1CCC[C@H](c2cc(=O)[nH]c(C3CC[NH+](Cc4ccsc4)CC3)n2)C1 ZINC000019017011 558837162 /nfs/dbraw/zinc/83/71/62/558837162.db2.gz PBAIOVZLVVDJQI-SFHVURJKSA-N 1 0 400.548 2.937 40 0 HFABRO Cn1ccc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)C[N@@H+](C2CCCCC2)CC3)n1 ZINC000019290946 558863361 /nfs/dbraw/zinc/86/33/61/558863361.db2.gz MVTUHLUFEMJKBQ-FQEVSTJZSA-N 1 0 424.549 2.562 40 0 HFABRO COc1cc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2nccn2C)cc(OC)c1OC ZINC000019291363 558863786 /nfs/dbraw/zinc/86/37/86/558863786.db2.gz YUDSBDODEWYLJY-AQKKSAQBSA-N 1 0 401.507 2.566 40 0 HFABRO O=c1cc([C@H]2CCCC[N@H+]2Cc2ccc(OCCO)cc2)nc(-c2cccnc2)[nH]1 ZINC000019340878 558871615 /nfs/dbraw/zinc/87/16/15/558871615.db2.gz BZZPQXBSEADVJY-OAQYLSRUSA-N 1 0 406.486 2.930 40 0 HFABRO O=C1CCC[C@]2(C[N@H+](Cc3ccc(N4CCOCC4)nc3)C[C@H]2c2ccccc2)N1 ZINC000019373757 558880895 /nfs/dbraw/zinc/88/08/95/558880895.db2.gz CZMQJUJOBBOZEL-XUZZJYLKSA-N 1 0 406.530 2.557 40 0 HFABRO CN(c1ccccc1C(=O)NCc1ccccc1C[NH+]1CCCCC1)S(C)(=O)=O ZINC000055430725 558881248 /nfs/dbraw/zinc/88/12/48/558881248.db2.gz DNYSOEKFNAWADE-UHFFFAOYSA-N 1 0 415.559 2.998 40 0 HFABRO CC[C@H](CN1CC[NH+](C)CC1)NC(=O)Cc1csc(Nc2cccc(C)c2)n1 ZINC000019500328 558898558 /nfs/dbraw/zinc/89/85/58/558898558.db2.gz ODPQHJQJVVFFHO-QGZVFWFLSA-N 1 0 401.580 2.880 40 0 HFABRO COc1ccccc1C[N@@H+]1CCc2nc([C@@H]3CCN(C(=O)C4CCC4)C3)[nH]c(=O)c2C1 ZINC000019570572 558929407 /nfs/dbraw/zinc/92/94/07/558929407.db2.gz QNQQOQOKVOAIHW-GOSISDBHSA-N 1 0 422.529 2.865 40 0 HFABRO CNS(=O)(=O)c1ccc(C)c(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000058808385 558930188 /nfs/dbraw/zinc/93/01/88/558930188.db2.gz PPDMUIONHXMNCI-GOSISDBHSA-N 1 0 401.532 2.754 40 0 HFABRO CC(C)NC(=O)[C@@H]1C[N@@H+]([C@H](C)Cc2ccc(F)cc2)C[C@]12Cc1ccccc1C(=O)N2 ZINC000072334462 558935695 /nfs/dbraw/zinc/93/56/95/558935695.db2.gz ASYNREOZJHEJKQ-VEDVITAVSA-N 1 0 423.532 2.938 40 0 HFABRO Cc1[nH+]c(CN2CCC([C@H]3Nc4ccccc4S(=O)(=O)N3)CC2)c2ccccn12 ZINC000072338955 558938394 /nfs/dbraw/zinc/93/83/94/558938394.db2.gz HXAMOFNDRLVJTO-NRFANRHFSA-N 1 0 411.531 2.585 40 0 HFABRO COCCOc1cccc(C[N@@H+]2CC[C@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)c1 ZINC000019593778 558944760 /nfs/dbraw/zinc/94/47/60/558944760.db2.gz SLJZBSMDDCYKEE-IBGZPJMESA-N 1 0 406.486 2.847 40 0 HFABRO Cc1nc([C@@H]2CCN(C(=O)C[NH+](C)C)C2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000072351966 558948088 /nfs/dbraw/zinc/94/80/88/558948088.db2.gz LZYZYLBNUJIXEV-CQSZACIVSA-N 1 0 401.898 2.568 40 0 HFABRO COc1ccc2c(c1)c(C[C@H](C)NC(=O)c1ccnc(N3CC[NH+](C)CC3)c1)cn2C ZINC000019662597 558953635 /nfs/dbraw/zinc/95/36/35/558953635.db2.gz VVXCDVCYBOFKIJ-KRWDZBQOSA-N 1 0 421.545 2.695 40 0 HFABRO CC[NH+](CC)CCN(CC(=O)NC1CCCCC1)C(=O)c1ccc(NC(C)=O)cc1 ZINC000019681150 558956907 /nfs/dbraw/zinc/95/69/07/558956907.db2.gz LAIJHYKMOOKHKH-UHFFFAOYSA-N 1 0 416.566 2.878 40 0 HFABRO CC1(C)CC(CC(=O)NCCc2nc(-c3ccccc3)ncc2C(N)=O)CC(C)(C)[NH2+]1 ZINC000019697194 558964738 /nfs/dbraw/zinc/96/47/38/558964738.db2.gz RCQOPPHBRAFKGP-UHFFFAOYSA-N 1 0 423.561 2.848 40 0 HFABRO C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C2CCN(C(=O)c3ccccn3)CC2)nc1 ZINC000019708111 558970144 /nfs/dbraw/zinc/97/01/44/558970144.db2.gz STJYGCZQHAGKIO-HXUWFJFHSA-N 1 0 421.545 2.711 40 0 HFABRO CNc1nc([C@@H]2CCC[N@H+](C)C2)nc2c1CN(C(=O)Cc1c[nH]c3ccccc13)CC2 ZINC000019710305 558972127 /nfs/dbraw/zinc/97/21/27/558972127.db2.gz RCJNONMIHALVLK-MRXNPFEDSA-N 1 0 418.545 2.936 40 0 HFABRO CCn1c(C[N@@H+]2C[C@@H]3CC[C@@](O)(c4cnc(OC)nc4OC)[C@@H]3C2)nc2ccccc21 ZINC000072392609 558972342 /nfs/dbraw/zinc/97/23/42/558972342.db2.gz KZBGFIQBGQBHFM-XSSDXNQZSA-N 1 0 423.517 2.593 40 0 HFABRO CNc1nc([C@H]2CCC[NH2+]2)nc2c1CN(CC(=O)N(Cc1ccccc1)C(C)C)CC2 ZINC000019710817 558972896 /nfs/dbraw/zinc/97/28/96/558972896.db2.gz QPSMUBOLMAFCTQ-OAQYLSRUSA-N 1 0 422.577 2.738 40 0 HFABRO CC(=O)N1CCc2nc([C@H]3CCC[N@H+](C)C3)nc(N(C)CCc3ccccc3)c2C1 ZINC000019711414 558973773 /nfs/dbraw/zinc/97/37/73/558973773.db2.gz RPHKITMWZYSZFZ-FQEVSTJZSA-N 1 0 407.562 2.869 40 0 HFABRO CCCCc1ncc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(Cn2nc(C4CC4)ccc2=O)C3)cn1 ZINC000072394970 558973846 /nfs/dbraw/zinc/97/38/46/558973846.db2.gz LZXKKBYUPVCHJN-VXMMSVGHSA-N 1 0 423.561 2.811 40 0 HFABRO O=C(C[N@@H+]1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CC[C@@H]2CCCC[C@H]2C1 ZINC000257240327 558993266 /nfs/dbraw/zinc/99/32/66/558993266.db2.gz HSZTUZCSQLSKLD-UFYCRDLUSA-N 1 0 412.578 2.798 40 0 HFABRO O=C(C[N@@H+]1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000257240326 558993313 /nfs/dbraw/zinc/99/33/13/558993313.db2.gz HSZTUZCSQLSKLD-AQNXPRMDSA-N 1 0 412.578 2.798 40 0 HFABRO COc1cc(-c2cnc(N3CC[N@@H+]4CCCC[C@H]4C3)nc2-c2ccco2)nc(OC)n1 ZINC000257259126 558994868 /nfs/dbraw/zinc/99/48/68/558994868.db2.gz KWXYHKZFDAYGGA-HNNXBMFYSA-N 1 0 422.489 2.885 40 0 HFABRO C[NH+]1CCC(CN2CC[C@@]3(CCCN(C(=O)Cc4cccc(F)c4F)C3)C2=O)CC1 ZINC000585101012 559025642 /nfs/dbraw/zinc/02/56/42/559025642.db2.gz UKRIRJLQOPELTO-HSZRJFAPSA-N 1 0 419.516 2.690 40 0 HFABRO COc1ccc2c(c1OC)C(=O)CO[C@@H]2[C@H]1[NH2+]CCc2cc3c(c(OC)c21)OCO3 ZINC000095470474 559081182 /nfs/dbraw/zinc/08/11/82/559081182.db2.gz VYZHNAJGVHAHLI-OALUTQOASA-N 1 0 413.426 2.582 40 0 HFABRO Cc1ccc(C[NH+]2CCC3(CC2)O[C@@H](C(=O)N2CCCC2)Cn2ccnc23)s1 ZINC000096036825 559090699 /nfs/dbraw/zinc/09/06/99/559090699.db2.gz CBDIMLCCJXUIML-GOSISDBHSA-N 1 0 400.548 2.766 40 0 HFABRO COc1ccc(-c2cnc3n2CCN(C)C32CC[NH+](Cc3cnn(C)c3)CC2)cc1 ZINC000096037073 559090919 /nfs/dbraw/zinc/09/09/19/559090919.db2.gz RPNCEIDSJWCPKF-UHFFFAOYSA-N 1 0 406.534 2.729 40 0 HFABRO Cc1ccc(CNC(=O)c2ccc3nnc([C@H]4CC[N@H+](Cc5cccnc5)C4)n3c2)o1 ZINC000096156206 559100384 /nfs/dbraw/zinc/10/03/84/559100384.db2.gz DHELOKOJXZOBBA-SFHVURJKSA-N 1 0 416.485 2.945 40 0 HFABRO CN(C)S(=O)(=O)N1CCC2(CC1)C[N@H+](Cc1ccc(F)cc1)Cc1ccccc12 ZINC000096242502 559104166 /nfs/dbraw/zinc/10/41/66/559104166.db2.gz GFGUJLLUBVNNPB-UHFFFAOYSA-N 1 0 417.550 2.982 40 0 HFABRO O=C(C[N@H+]1CCC[C@](O)(COc2ccccc2F)CC1)NCCOc1ccccc1 ZINC000585273749 559118380 /nfs/dbraw/zinc/11/83/80/559118380.db2.gz QQSDILQUMCCDCP-HSZRJFAPSA-N 1 0 416.493 2.617 40 0 HFABRO CN(c1ccc(C(=O)NC2CC[NH+](C)CC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000113936233 559182231 /nfs/dbraw/zinc/18/22/31/559182231.db2.gz ITQUARKQJHZRBB-UHFFFAOYSA-N 1 0 421.950 2.989 40 0 HFABRO COc1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccc(OCc3nccn3C)cc2)cc1 ZINC000257256576 559284731 /nfs/dbraw/zinc/28/47/31/559284731.db2.gz KMBFROXHLBXJAP-IBGZPJMESA-N 1 0 411.502 2.879 40 0 HFABRO C[N@@H+](Cc1ccc(OCCN2CCOCC2)cc1)C[C@@H](O)Cn1ccc2ccccc21 ZINC000257291979 559285754 /nfs/dbraw/zinc/28/57/54/559285754.db2.gz QJMGHKCFCPHEQF-HSZRJFAPSA-N 1 0 423.557 2.845 40 0 HFABRO CC[NH+](CC)CCN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=S)NCCOC ZINC000004133753 560600771 /nfs/dbraw/zinc/60/07/71/560600771.db2.gz XSWFCGLZGSVOSF-UHFFFAOYSA-N 1 0 418.607 2.810 40 0 HFABRO COc1ccc([C@H]2[C@H](NC(=O)c3ccccc3)C(=O)N/[N+]2=C\c2ccccc2)cc1 ZINC000409060463 560671058 /nfs/dbraw/zinc/67/10/58/560671058.db2.gz VPXRUBWWWWLTHC-DZAWMCJLSA-O 1 0 400.458 2.711 40 0 HFABRO COc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2)cc1 ZINC000409055637 560671517 /nfs/dbraw/zinc/67/15/17/560671517.db2.gz CSISEAKPYCNXNZ-WXUIRWOTSA-O 1 0 418.448 2.850 40 0 HFABRO COc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccccc3)[C@@H]2c2ccccc2)cc1 ZINC000409061943 560671824 /nfs/dbraw/zinc/67/18/24/560671824.db2.gz KICIQXYFUFVMLK-NQQNOTTHSA-O 1 0 400.458 2.711 40 0 HFABRO COc1cc(CNCCC[NH+](C)C)ccc1OCc1nnnn1-c1ccc(C)cc1 ZINC000008550657 560755146 /nfs/dbraw/zinc/75/51/46/560755146.db2.gz NUBWPGDUBRHVND-UHFFFAOYSA-N 1 0 410.522 2.600 40 0 HFABRO Cc1ccc(N([C@H](C)C(=O)NCCC[NH+]2CCCCCC2)S(C)(=O)=O)cc1C ZINC000010111223 560763688 /nfs/dbraw/zinc/76/36/88/560763688.db2.gz UFGQJPOZUCKRAM-LJQANCHMSA-N 1 0 409.596 2.840 40 0 HFABRO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)Nc2ccc([C@@H]3NC(=O)c4cccnc4N3C)cc2)C1 ZINC000019462544 560873244 /nfs/dbraw/zinc/87/32/44/560873244.db2.gz XIGBGXULJODBCZ-WHSLLNHNSA-N 1 0 407.518 2.876 40 0 HFABRO CC[NH+]1CCN([C@H](c2nnnn2C(C)(C)CC)c2cc3cccc(C)c3[nH]c2=O)CC1 ZINC000019499638 560873444 /nfs/dbraw/zinc/87/34/44/560873444.db2.gz ZYRXIBDPTCUPIC-FQEVSTJZSA-N 1 0 423.565 2.695 40 0 HFABRO CC[NH+]1CCN([C@H](c2nnnn2Cc2ccc(OC)cc2)c2ccc(F)cc2)CC1 ZINC000019528008 560874703 /nfs/dbraw/zinc/87/47/03/560874703.db2.gz ZRZNLOWHFRZCER-NRFANRHFSA-N 1 0 410.497 2.596 40 0 HFABRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)C1 ZINC000216445821 568465458 /nfs/dbraw/zinc/46/54/58/568465458.db2.gz UBOHBNUKLZNEIE-OALUTQOASA-N 1 0 421.607 2.710 40 0 HFABRO O=C(c1ccccc1F)N1C[C@@H]2COCCN2C2(C[NH+](C3CCC(F)(F)CC3)C2)C1 ZINC000604381800 568489236 /nfs/dbraw/zinc/48/92/36/568489236.db2.gz PAQCKJNHYBYUNA-QGZVFWFLSA-N 1 0 423.479 2.615 40 0 biogenic,in-vitro HFABRO O=C(Nc1ccccc1)N1C[C@@H]2COCCN2C2(C[NH+](C3CCC(F)(F)CC3)C2)C1 ZINC000604381978 568489358 /nfs/dbraw/zinc/48/93/58/568489358.db2.gz XKGMHPVDCAGNTG-LJQANCHMSA-N 1 0 420.504 2.867 40 0 biogenic,in-vitro HFABRO CCC(C)(C)n1nnnc1[C@H](c1cc2cc(C)cc(C)c2[nH]c1=O)N1CCC(O)CC1 ZINC000057589795 568492903 /nfs/dbraw/zinc/49/29/03/568492903.db2.gz DVEVCSWYLIBTEE-FQEVSTJZSA-N 1 0 424.549 2.823 40 0 HFABRO C[NH+](C)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C[C@@H]1CCCO1 ZINC000223219723 568541407 /nfs/dbraw/zinc/54/14/07/568541407.db2.gz ODKNYGKHWPGPSE-WMQCIHAUSA-N 1 0 413.591 2.986 40 0 HFABRO CN(c1ccc(C(=O)NCCC[NH+](C)C)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000224234064 568574732 /nfs/dbraw/zinc/57/47/32/568574732.db2.gz QMZIYYBBPHSWPA-UHFFFAOYSA-N 1 0 409.939 2.847 40 0 HFABRO Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCC[NH+](C)C)c(Cl)c2)cc1 ZINC000224242348 568574922 /nfs/dbraw/zinc/57/49/22/568574922.db2.gz PNVRRJYXRBIZIK-UHFFFAOYSA-N 1 0 409.939 2.765 40 0 HFABRO CN(c1ccc(Cl)c(C(=O)NCCC[NH+](C)C)c1)S(=O)(=O)c1ccccc1 ZINC000224335101 568578288 /nfs/dbraw/zinc/57/82/88/568578288.db2.gz XXQPBQFPPCYZED-UHFFFAOYSA-N 1 0 409.939 2.847 40 0 HFABRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2cccc(N3CCCCS3(=O)=O)c2)C1 ZINC000224392599 568580114 /nfs/dbraw/zinc/58/01/14/568580114.db2.gz PAMJTFLPFIWXLF-HDICACEKSA-N 1 0 407.580 2.714 40 0 HFABRO O=C(CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224676610 568592011 /nfs/dbraw/zinc/59/20/11/568592011.db2.gz WDSFIXZANQZFTN-OYRHEFFESA-N 1 0 409.530 2.630 40 0 HFABRO CS(=O)(=O)N(CCCC(=O)NCCC[NH+]1CCCCCC1)c1ccccc1F ZINC000225526948 568647286 /nfs/dbraw/zinc/64/72/86/568647286.db2.gz CEVBPTWCCPJDJH-UHFFFAOYSA-N 1 0 413.559 2.754 40 0 HFABRO Cc1ccc(C)c(N(Cc2ccc(C(=O)NCCC[NH+](C)C)cc2)S(C)(=O)=O)c1 ZINC000225800431 568675648 /nfs/dbraw/zinc/67/56/48/568675648.db2.gz LDIWHOOYWAGXBL-UHFFFAOYSA-N 1 0 417.575 2.951 40 0 HFABRO CC(=O)NC1CC[NH+](C[C@]2(O)CCCN(C(=O)CCC3CCCCC3)CC2)CC1 ZINC000257201740 568776653 /nfs/dbraw/zinc/77/66/53/568776653.db2.gz AIWAPGVQQHIEHU-QHCPKHFHSA-N 1 0 407.599 2.691 40 0 HFABRO CCc1nnc(Nc2cccc([C@@H]3CN(C(=O)CC[NH+]4CCCC4)CCO3)n2)s1 ZINC000257225000 568783573 /nfs/dbraw/zinc/78/35/73/568783573.db2.gz FEKPIYUCYQGUFJ-INIZCTEOSA-N 1 0 416.551 2.625 40 0 HFABRO CC(=O)N1C[C@H](c2ccccc2)[C@H]2CN(C(=O)c3cccc(OCCC[NH3+])c3)CC[C@H]21 ZINC000257259659 568792737 /nfs/dbraw/zinc/79/27/37/568792737.db2.gz KZKKAZIYCALNMC-WXFUMESZSA-N 1 0 421.541 2.891 40 0 HFABRO CC[N@H+](Cc1ccncc1)C[C@@]1(O)CCCN(C(=O)c2cc(C(C)(C)C)n[nH]2)CC1 ZINC000257275942 568797296 /nfs/dbraw/zinc/79/72/96/568797296.db2.gz NRQAXXFGDGEDTN-HSZRJFAPSA-N 1 0 413.566 2.982 40 0 HFABRO Cc1nccn1[C@@H]1CCC[C@@H](NC(=O)c2cccc(OCC[NH+]3CCCC3)c2)[C@H]1O ZINC000257286987 568800759 /nfs/dbraw/zinc/80/07/59/568800759.db2.gz PNYIVXOBXCAHSV-YPAWHYETSA-N 1 0 412.534 2.551 40 0 HFABRO C[NH+]1CCC(C(=O)NC[C@H]2C[C@]3(C)[C@@H](CCCC[C@@H]3O)N2C(=O)OC(C)(C)C)CC1 ZINC000257288422 568800969 /nfs/dbraw/zinc/80/09/69/568800969.db2.gz PUCXXUUCXSRGFD-CROMWVBPSA-N 1 0 423.598 2.764 40 0 HFABRO Cc1n[nH]c(C)c1CCC(=O)N1CCC[C@](C)(C(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000257321635 568810850 /nfs/dbraw/zinc/81/08/50/568810850.db2.gz WCLWIJYUVRPQRW-QHCPKHFHSA-N 1 0 417.598 2.577 40 0 HFABRO C[NH+](C)CCNC(=O)c1nc([C@H]2CCCN2C(=O)c2ccccc2)n2ccccc12 ZINC000306125279 568888081 /nfs/dbraw/zinc/88/80/81/568888081.db2.gz CLEMMMNYBREHHJ-LJQANCHMSA-N 1 0 405.502 2.603 40 0 HFABRO O=C(NCC1CC1)[C@]12CN(c3ncccn3)C[C@@H]1C[N@H+](Cc1cccs1)CCC2 ZINC000306126172 568888940 /nfs/dbraw/zinc/88/89/40/568888940.db2.gz DOUWQYWWDFIFML-PGRDOPGGSA-N 1 0 411.575 2.783 40 0 HFABRO O=C(NCc1ccccc1)c1nnc2n1C[C@H]1C[N@@H+](CCc3ccccc3)C[C@H]1C2 ZINC000306126337 568889020 /nfs/dbraw/zinc/88/90/20/568889020.db2.gz DSZGIHYUTIXSTI-NHCUHLMSSA-N 1 0 401.514 2.555 40 0 HFABRO COc1ccccc1C[N@H+]1C[C@@H]2Cc3nnc(C(=O)Nc4ccccc4)n3C[C@@H]2C1 ZINC000306128552 568891437 /nfs/dbraw/zinc/89/14/37/568891437.db2.gz HDUAANRXOSDPSF-ROUUACIJSA-N 1 0 403.486 2.843 40 0 HFABRO COc1ccccc1C[N@H+]1C[C@H]2Cc3nnc(C(=O)Nc4ccccc4)n3C[C@@H]2C1 ZINC000306128550 568891450 /nfs/dbraw/zinc/89/14/50/568891450.db2.gz HDUAANRXOSDPSF-MSOLQXFVSA-N 1 0 403.486 2.843 40 0 HFABRO CC(C)(C)CC(=O)N1c2ccccc2S(=O)(=O)N[C@H]2C[N@H+](C3CCCC3)C[C@H]21 ZINC000306130007 568892366 /nfs/dbraw/zinc/89/23/66/568892366.db2.gz ITXXCIRELWDURS-FUHWJXTLSA-N 1 0 405.564 2.743 40 0 HFABRO CC(C)(C)CC(=O)N1c2ccccc2S(=O)(=O)N[C@@H]2C[N@H+](C3CCCC3)C[C@H]21 ZINC000306130008 568892534 /nfs/dbraw/zinc/89/25/34/568892534.db2.gz ITXXCIRELWDURS-SJLPKXTDSA-N 1 0 405.564 2.743 40 0 HFABRO O=C1N(Cc2ccccc2)CCO[C@@]12C[N@H+](Cc1cccnc1)C[C@@H]2c1cccnc1 ZINC000306130357 568892744 /nfs/dbraw/zinc/89/27/44/568892744.db2.gz JDKBTWHNXDXAHP-ILBGXUMGSA-N 1 0 414.509 2.874 40 0 HFABRO O=C(NCC1CC1)[C@]12CN(c3ncccn3)C[C@@H]1C[N@H+](Cc1ccsc1)CCC2 ZINC000306134971 568896997 /nfs/dbraw/zinc/89/69/97/568896997.db2.gz ODLKFAAHVLJWDS-SIKLNZKXSA-N 1 0 411.575 2.783 40 0 HFABRO COc1ccc(-c2nnc3n(c2=O)CC[C@]32CC[N@H+](Cc3cccc(C)n3)C2)cc1 ZINC000306137067 568898934 /nfs/dbraw/zinc/89/89/34/568898934.db2.gz QKSMOHAJJDKOOI-QHCPKHFHSA-N 1 0 403.486 2.565 40 0 HFABRO c1cc(C[N@@H+]2CCC[C@@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)cc2c1OCO2 ZINC000306137747 568899644 /nfs/dbraw/zinc/89/96/44/568899644.db2.gz REWRCRPTLMWXHK-GOSISDBHSA-N 1 0 421.501 2.674 40 0 HFABRO CC(C)NC(=O)N1C[C@@H]2CC[C@H](CNC(=O)c3cccnc3)[N@@H+]2Cc2ccccc21 ZINC000306138193 568900063 /nfs/dbraw/zinc/90/00/63/568900063.db2.gz RSCSVHFQFOKRSC-UXHICEINSA-N 1 0 407.518 2.783 40 0 HFABRO O=C1N(Cc2ccccc2)CCO[C@@]12C[N@H+](Cc1ccncc1)C[C@@H]2c1cccnc1 ZINC000306144044 568905348 /nfs/dbraw/zinc/90/53/48/568905348.db2.gz YUIXZJRWCDQNIP-ILBGXUMGSA-N 1 0 414.509 2.874 40 0 HFABRO CCOC(=O)[C@]1(C[NH3+])[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218118949 568926093 /nfs/dbraw/zinc/92/60/93/568926093.db2.gz FBULYROZECUSEK-WSTZPKSXSA-N 1 0 423.918 2.797 40 0 HFABRO COc1ccc(Nc2cc(-c3cccnc3)nc(NCCC[NH+](C)C)n2)cc1OC ZINC000328999219 568972050 /nfs/dbraw/zinc/97/20/50/568972050.db2.gz JUXGSGQVSLROGQ-UHFFFAOYSA-N 1 0 408.506 2.507 40 0 HFABRO CC(C)(C)c1ccc(C(=O)N2CCN(c3cc(N4CCOCC4)cn[nH+]3)CC2)cc1 ZINC000224317331 569057185 /nfs/dbraw/zinc/05/71/85/569057185.db2.gz BBKWIZBTZCXLAW-UHFFFAOYSA-N 1 0 409.534 2.573 40 0 HFABRO Cn1nc(C(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)c2ccccc2c1=O ZINC000257198829 569058958 /nfs/dbraw/zinc/05/89/58/569058958.db2.gz JOOVBUDCBFQMDE-BJJLKGPWSA-N 1 0 418.541 2.969 40 0 HFABRO CC[NH+]1CCN(c2ccc(N)cc2NC(=O)c2cncc(Br)c2)CC1 ZINC000226259462 569278725 /nfs/dbraw/zinc/27/87/25/569278725.db2.gz IDVJVSQIVRUHQL-UHFFFAOYSA-N 1 0 404.312 2.821 40 0 HFABRO COc1ccc2c(c1)CN(C(C)=O)C[C@H]([C@@H]1CCC[N@H+](Cc3cnc(C)nc3)C1)O2 ZINC000012235371 569344760 /nfs/dbraw/zinc/34/47/60/569344760.db2.gz FHTPZEHCBQTDKZ-AUSIDOKSSA-N 1 0 410.518 2.815 40 0 HFABRO CNC(=O)c1[nH]c(C2CC[NH+](Cc3ccnn3C)CC2)nc1-c1ccc(OC)cc1 ZINC000019698822 569346911 /nfs/dbraw/zinc/34/69/11/569346911.db2.gz PMWSWWKPFVRSBH-UHFFFAOYSA-N 1 0 408.506 2.558 40 0 HFABRO CC(C)C[NH+]1CCC2(CC1)NC(=O)N(C1CCN(C(=O)CC3CCCC3)CC1)C2=O ZINC000019701351 569347276 /nfs/dbraw/zinc/34/72/76/569347276.db2.gz UGTKXLISRPSXOX-UHFFFAOYSA-N 1 0 418.582 2.600 40 0 HFABRO CCN(C(=O)CN(C)Cc1cc(N(C)C)nc([C@H]2CCC[NH2+]C2)n1)c1cccc(C)c1 ZINC000019709744 569348205 /nfs/dbraw/zinc/34/82/05/569348205.db2.gz YDMXQJVXSMACOH-IBGZPJMESA-N 1 0 424.593 2.803 40 0 HFABRO N[C@@]1(C[NH3+])[C@@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000252516997 569388088 /nfs/dbraw/zinc/38/80/88/569388088.db2.gz YQGKHYDGFHBWRW-XHSDSOJGSA-N 1 0 415.740 2.698 40 0 HFABRO C[NH2+]Cc1cc(N(C)C)nc([C@H]2CCCN(C(=O)CCc3ccccc3OC)C2)n1 ZINC000019709624 569428916 /nfs/dbraw/zinc/42/89/16/569428916.db2.gz NSPFMJZWBHNFFB-SFHVURJKSA-N 1 0 411.550 2.609 40 0 HFABRO CNc1cc(C[NH2+]C)nc([C@@H]2CCCN2Cc2cc3c(cc2OC)OCCCO3)n1 ZINC000019760587 569429677 /nfs/dbraw/zinc/42/96/77/569429677.db2.gz YTGVXMHQFRXLFQ-KRWDZBQOSA-N 1 0 413.522 2.745 40 0 HFABRO C[NH+](C)CCNc1nc(Nc2ccc(N3CCOCC3)cc2)cc(-c2ccccn2)n1 ZINC000329021717 571304643 /nfs/dbraw/zinc/30/46/43/571304643.db2.gz OHSOVIUUAUZFNZ-UHFFFAOYSA-N 1 0 419.533 3.092 40 0 HFABRO CCc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)nc(NCC[NH+](C)C)n1 ZINC000329021769 571309744 /nfs/dbraw/zinc/30/97/44/571309744.db2.gz OJCJLMBHSQERDC-UHFFFAOYSA-N 1 0 409.456 3.474 40 0 HFABRO COc1cc(-c2cnc(N3CC[N@@H+]4CCCC[C@@H]4C3)nc2-c2ccco2)nc(OC)n1 ZINC000012327887 132358847 /nfs/dbraw/zinc/35/88/47/132358847.db2.gz KWXYHKZFDAYGGA-OAHLLOKOSA-N 1 0 422.489 2.885 40 0 HFABRO COc1ccccc1CN1CCCc2c(C)nc([C@H]3CCCN3C(=O)C[NH+](C)C)nc21 ZINC000072373761 524451533 /nfs/dbraw/zinc/45/15/33/524451533.db2.gz ODKSWTITWBPPDQ-HXUWFJFHSA-N 1 0 423.561 2.972 40 0 HFABRO Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)cc1 ZINC000020108185 524632278 /nfs/dbraw/zinc/63/22/78/524632278.db2.gz YKYJZCFQDHTWJI-UHFFFAOYSA-N 1 0 421.607 2.529 40 0 HFABRO COc1ccc([C@@H](CNC(=O)[C@]2(C)Oc3ccccc3N(C)C2=O)[NH+]2CCCC2)cc1 ZINC000041070676 525185510 /nfs/dbraw/zinc/18/55/10/525185510.db2.gz KWTRRTCXKZIPAC-YKSBVNFPSA-N 1 0 423.513 2.762 40 0 HFABRO COc1cccc(OC)c1C(=O)NC(=S)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000006570724 557708412 /nfs/dbraw/zinc/70/84/12/557708412.db2.gz OHOXUJLXIPBTCY-UHFFFAOYSA-N 1 0 414.531 2.582 40 0 HFABRO CCCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1([NH2+][C@H]2CC(C)C)C(=O)Nc2ccc(Cl)cc21 ZINC000009042053 557820053 /nfs/dbraw/zinc/82/00/53/557820053.db2.gz OPDUIPGWWWSSAV-NWZZKEMCSA-N 1 0 403.910 2.907 40 0 HFABRO O=C(Cn1cc(NC(=O)c2ccc(F)cc2)cn1)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC000019749798 558269695 /nfs/dbraw/zinc/26/96/95/558269695.db2.gz UITKQCIIFSVXSQ-FQEVSTJZSA-N 1 0 413.497 2.751 40 0 HFABRO Cn1cc(C(=O)Nc2ccc(F)cc2)c(CC2CC[NH+](Cc3ccnn3C)CC2)n1 ZINC000019757214 558274831 /nfs/dbraw/zinc/27/48/31/558274831.db2.gz BAQCODRQHYLSID-UHFFFAOYSA-N 1 0 410.497 3.000 40 0 HFABRO Cc1nc([C@@H]2CCC[N@@H+](Cc3cnn(C)c3)C2)ncc1C(=O)NCc1ccccc1 ZINC000019763522 558277361 /nfs/dbraw/zinc/27/73/61/558277361.db2.gz KKHDNSAALMNRDR-HXUWFJFHSA-N 1 0 404.518 2.828 40 0 HFABRO Cc1cc2c(cc3c(=O)n(CC(=O)NCCC[N@H+]4CCCC[C@H]4C)nc(C)n23)s1 ZINC000012115379 558327794 /nfs/dbraw/zinc/32/77/94/558327794.db2.gz CNXGPZCOBOKNQS-CQSZACIVSA-N 1 0 415.563 2.708 40 0 HFABRO O[C@H](C[NH+]1CCC2(CC1)C[C@H](O)c1cc(F)ccc1O2)c1ccc2c(c1)OCCO2 ZINC000012293404 558366495 /nfs/dbraw/zinc/36/64/95/558366495.db2.gz INNDAAZLJNCFMP-RBUKOAKNSA-N 1 0 415.461 2.981 40 0 HFABRO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@@H]1c1ccc(OCC)cc1 ZINC000020636800 558396091 /nfs/dbraw/zinc/39/60/91/558396091.db2.gz XFWNWTMHNMWJBT-LEWJYISDSA-N 1 0 421.497 2.850 40 0 HFABRO CC[C@@H](c1nnnn1Cc1ccc2c(c1)OCO2)N1CC[NH+](C2CCCCC2)CC1 ZINC000022929623 558523747 /nfs/dbraw/zinc/52/37/47/558523747.db2.gz QPSCWHAWZBKHLO-IBGZPJMESA-N 1 0 412.538 2.852 40 0 HFABRO O=C1CCCN1c1ccc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000031075482 558747841 /nfs/dbraw/zinc/74/78/41/558747841.db2.gz WSYBAQQCGVCSTM-UHFFFAOYSA-N 1 0 413.543 2.888 40 0 HFABRO O=C(C[N@@H+]1CCC[C@H](Cc2nc3ccccc3[nH]2)C1)N1CC(=O)Nc2ccccc21 ZINC000036752847 558803050 /nfs/dbraw/zinc/80/30/50/558803050.db2.gz VPVUTAVNCJOMIO-MRXNPFEDSA-N 1 0 403.486 2.803 40 0 HFABRO COc1ccccc1CC(=O)NC1CC[NH+](Cc2cc(-c3ccccn3)nn2C)CC1 ZINC000019288961 558861775 /nfs/dbraw/zinc/86/17/75/558861775.db2.gz BAXADGLGZOJFQW-UHFFFAOYSA-N 1 0 419.529 2.814 40 0 HFABRO COc1ccccc1CC(=O)NC1CC[NH+](Cc2cc(-c3cccnc3)nn2C)CC1 ZINC000019288986 558861955 /nfs/dbraw/zinc/86/19/55/558861955.db2.gz PJGYRSOBVNWBJH-UHFFFAOYSA-N 1 0 419.529 2.814 40 0 HFABRO O=C(Cc1ccc(F)cc1)N1CC[C@H](c2nc3c(c(=O)[nH]2)C[N@@H+](C2CCCC2)CC3)C1 ZINC000019333186 558869032 /nfs/dbraw/zinc/86/90/32/558869032.db2.gz XRQHOUFLYWIHHM-KRWDZBQOSA-N 1 0 424.520 2.768 40 0 HFABRO O=C(C1CC1)N1CCc2nc([C@H]3CCC[N@@H+](Cc4ccc(F)cc4)C3)[nH]c(=O)c2C1 ZINC000019334066 558869170 /nfs/dbraw/zinc/86/91/70/558869170.db2.gz AIBVCCVWSKQOSB-KRWDZBQOSA-N 1 0 410.493 2.583 40 0 HFABRO COCCC(=O)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](C1CCC(C)CC1)CC2 ZINC000019495991 558894806 /nfs/dbraw/zinc/89/48/06/558894806.db2.gz XWBXVDUUAXURJC-LADRWXRNSA-N 1 0 402.539 2.819 40 0 HFABRO C[C@@H]1CN(c2nccc(CN3CC[NH+](CCCc4ccccc4)CC3)n2)C[C@H](C)O1 ZINC000019497709 558896320 /nfs/dbraw/zinc/89/63/20/558896320.db2.gz QUEBPCPPUMVFAT-OYRHEFFESA-N 1 0 409.578 2.841 40 0 HFABRO COc1ncc(C2(O)[C@@H]3CCC[C@H]2C[N@@H+](Cc2cc(C)c(O)c(C)c2)C3)c(OC)n1 ZINC000019569953 558928659 /nfs/dbraw/zinc/92/86/59/558928659.db2.gz GANBXODFSLGAAO-NHJWOMDBSA-N 1 0 413.518 2.936 40 0 HFABRO Cc1oc2c(c1C(=O)N1CCC[C@@H](c3nc4c(c(=O)[nH]3)C[N@H+](C)CC4)C1)CCCC2 ZINC000019581216 558936889 /nfs/dbraw/zinc/93/68/89/558936889.db2.gz SHLLAJPWKTVSSW-OAHLLOKOSA-N 1 0 410.518 2.970 40 0 HFABRO Cc1[nH+]c(CN2CCC([C@@H]3Nc4ccccc4S(=O)(=O)N3)CC2)c2ccccn12 ZINC000072338954 558938483 /nfs/dbraw/zinc/93/84/83/558938483.db2.gz HXAMOFNDRLVJTO-OAQYLSRUSA-N 1 0 411.531 2.585 40 0 HFABRO CC(=O)Nc1cccc(-c2nccnc2[C@H]2CCC[N@H+](CC(=O)N3CCCC3)C2)c1 ZINC000072358560 558954081 /nfs/dbraw/zinc/95/40/81/558954081.db2.gz HJARBVXLZILLAO-IBGZPJMESA-N 1 0 407.518 2.904 40 0 HFABRO O=C(C[N@@H+]1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CC[C@H](c2ccccc2)C1 ZINC000072373101 558960843 /nfs/dbraw/zinc/96/08/43/558960843.db2.gz OJNQMSQXNKPZBC-SFTDATJTSA-N 1 0 420.557 2.775 40 0 HFABRO C[C@H]1C[C@H](C)CN(C(=O)C[N@@H+]2CCC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)C1 ZINC000072373062 558960918 /nfs/dbraw/zinc/96/09/18/558960918.db2.gz CFNKKKRZSVULGS-FHWLQOOXSA-N 1 0 400.567 2.654 40 0 HFABRO Cc1cc(C)nc(Nc2cc(C)[nH+]c([C@@H]3CCCN(S(=O)(=O)N(C)C)C3)c2)n1 ZINC000072374899 558963051 /nfs/dbraw/zinc/96/30/51/558963051.db2.gz RORQNBFTFRQUQD-MRXNPFEDSA-N 1 0 404.540 2.526 40 0 HFABRO Cc1ccnn1CCNC(=O)c1ccc([C@@H]2CCC[N@H+](Cc3ccccn3)C2)nc1 ZINC000019705905 558968483 /nfs/dbraw/zinc/96/84/83/558968483.db2.gz NBXKTMJYRORNBV-HXUWFJFHSA-N 1 0 404.518 2.791 40 0 HFABRO CNc1nc([C@H]2CCC[N@H+](C)C2)nc2c1CCN(C(=O)CCOc1ccccc1C)C2 ZINC000019708817 558971390 /nfs/dbraw/zinc/97/13/90/558971390.db2.gz KLJRXLHUJGTUJH-SFHVURJKSA-N 1 0 423.561 2.990 40 0 HFABRO CCC(=O)N[C@H]1C[N@H+](Cc2cn(C)nc2C)C[C@@H]1c1cn(C)c2ccc(OC)cc12 ZINC000072395724 558974704 /nfs/dbraw/zinc/97/47/04/558974704.db2.gz MDRBHIMMIADBDV-RTWAWAEBSA-N 1 0 409.534 2.723 40 0 HFABRO C[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](c2nc3c(c(=O)[nH]2)C[N@H+](Cc2cccs2)CC3)C1 ZINC000072399048 558976502 /nfs/dbraw/zinc/97/65/02/558976502.db2.gz GYIXNGBNPZDIMQ-VYDXJSESSA-N 1 0 412.559 2.752 40 0 HFABRO Cc1cc(C(=O)Nc2cccc(C[N@H+]3CCCC[C@@H]3C)c2)c2c(=O)[nH]c(=O)n(C)c2n1 ZINC000019716350 558978128 /nfs/dbraw/zinc/97/81/28/558978128.db2.gz JTTCKFIYNWLQMI-HNNXBMFYSA-N 1 0 421.501 2.557 40 0 HFABRO O=C(C[N@@H+]1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CC[C@H]2CCCC[C@H]2C1 ZINC000257240325 558993343 /nfs/dbraw/zinc/99/33/43/558993343.db2.gz HSZTUZCSQLSKLD-AABGKKOBSA-N 1 0 412.578 2.798 40 0 HFABRO Cc1c(C[N@@H+]2CCC[C@@]3(CCC(=O)N3CC(=O)N3CCCC3)CC2)nc2ccccn12 ZINC000585099979 559024501 /nfs/dbraw/zinc/02/45/01/559024501.db2.gz BVYBIFMFEWYFSY-XMMPIXPASA-N 1 0 423.561 2.612 40 0 HFABRO C[N@@H+](Cc1cccnc1)C[C@H]1CC2(CO1)CCN(S(=O)(=O)c1ccccc1)CC2 ZINC000585103120 559026445 /nfs/dbraw/zinc/02/64/45/559026445.db2.gz DJOCOVQCIHIPSQ-HXUWFJFHSA-N 1 0 415.559 2.773 40 0 HFABRO CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc(C)c(F)c2)CC1 ZINC000585106307 559028721 /nfs/dbraw/zinc/02/87/21/559028721.db2.gz QLGUSYUHQMULNU-UHOSZYNNSA-N 1 0 401.526 2.975 40 0 HFABRO CC(C)CNC(=O)[C@@H]1Cn2ccnc2C2(CC[NH+](Cc3ccc(F)cc3)CC2)O1 ZINC000096036775 559090533 /nfs/dbraw/zinc/09/05/33/559090533.db2.gz RLUIVCIMTZZPOM-IBGZPJMESA-N 1 0 400.498 2.685 40 0 HFABRO COCC[NH+]1CCC2(CC3(CCN(C(=O)Nc4ccccc4)CC3)N(C)C2=O)CC1 ZINC000096143682 559096193 /nfs/dbraw/zinc/09/61/93/559096193.db2.gz MEGOJEHFJIIMEE-UHFFFAOYSA-N 1 0 414.550 2.644 40 0 HFABRO COc1cccc(-c2nc3c(s2)N(CC2CC2)[C@@H](C(=O)NCC[NH+](C)C)C3)c1 ZINC000096146758 559098163 /nfs/dbraw/zinc/09/81/63/559098163.db2.gz FKLRZKMYRFWCLM-GOSISDBHSA-N 1 0 400.548 2.638 40 0 HFABRO O=C(c1ccc(-n2cccc2)cc1)N1CCC[C@@]2(C[C@@H](C[NH+]3CCOCC3)CO2)C1 ZINC000096228411 559102763 /nfs/dbraw/zinc/10/27/63/559102763.db2.gz CJLBPZUSUFAEMP-GBXCKJPGSA-N 1 0 409.530 2.821 40 0 HFABRO Cc1ccc(O[C@H]2C[N@H+](Cc3ccc(OCCN4CCCC4=O)cc3)C[C@@H]2O)cc1C ZINC000585267897 559113038 /nfs/dbraw/zinc/11/30/38/559113038.db2.gz QLAYVCKXUIMNOK-ZEQRLZLVSA-N 1 0 424.541 2.929 40 0 HFABRO COc1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccc(OCCn3cccn3)cc2)cc1 ZINC000585271556 559115827 /nfs/dbraw/zinc/11/58/27/559115827.db2.gz ZQGWMOGLAIQXSB-FQEVSTJZSA-N 1 0 411.502 2.842 40 0 HFABRO COCC(=O)N1CC[N@@H+](C2CCC(C)(C)CC2)C[C@@](O)(COc2cccc(F)c2)C1 ZINC000585281980 559119774 /nfs/dbraw/zinc/11/97/74/559119774.db2.gz DLZXLKNSIPHYBC-QHCPKHFHSA-N 1 0 422.541 2.695 40 0 HFABRO O=C(c1ccc(Cl)cc1)N1CC[C@H](O)[C@@](O)(C[NH2+]Cc2ccccc2Cl)C1 ZINC000585284263 559121044 /nfs/dbraw/zinc/12/10/44/559121044.db2.gz JGZREGZTLXEPQE-AZUAARDMSA-N 1 0 409.313 2.721 40 0 HFABRO CCCCc1ccc(C[NH2+]C[C@]2(O)CN(C(=O)CCc3ccccc3)C[C@H]2O)cc1 ZINC000585290379 559122911 /nfs/dbraw/zinc/12/29/11/559122911.db2.gz ARBKWCKZJZSRNG-NOZRDPDXSA-N 1 0 410.558 2.686 40 0 HFABRO C[N@@H+](Cc1ccc(OCC(=O)N2CCCC2)cc1)C[C@@H](O)COC1CCCCC1 ZINC000257308800 559286237 /nfs/dbraw/zinc/28/62/37/559286237.db2.gz TYDIVHZHLBKLIX-HXUWFJFHSA-N 1 0 404.551 2.830 40 0 HFABRO CCNC(=S)N(CC[NH+](CC)CC)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000004134169 560600808 /nfs/dbraw/zinc/60/08/08/560600808.db2.gz DWZCNTDPJTYZRT-UHFFFAOYSA-N 1 0 404.580 2.965 40 0 HFABRO COc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccccc3)[C@@H]2c2ccccc2)cc1 ZINC000409061944 560671801 /nfs/dbraw/zinc/67/18/01/560671801.db2.gz KICIQXYFUFVMLK-PJIZFRNJSA-O 1 0 400.458 2.711 40 0 HFABRO CCc1ccc(N(CC(=O)NCCC[NH+](C)C)S(=O)(=O)c2ccccc2)cc1 ZINC000010111415 560763815 /nfs/dbraw/zinc/76/38/15/560763815.db2.gz UWZHXNIHWYKZKB-UHFFFAOYSA-N 1 0 403.548 2.512 40 0 HFABRO Cc1ccc(N([C@@H](C)C(=O)NCCC[NH+]2CCC(C)CC2)S(C)(=O)=O)cc1C ZINC000010540792 560769834 /nfs/dbraw/zinc/76/98/34/560769834.db2.gz WBTBKVFGGHRODQ-IBGZPJMESA-N 1 0 409.596 2.696 40 0 HFABRO CC[NH+]1CCN([C@@H](c2nnnn2Cc2ccc(OC)cc2)c2ccc(F)cc2)CC1 ZINC000019528009 560874660 /nfs/dbraw/zinc/87/46/60/560874660.db2.gz ZRZNLOWHFRZCER-OAQYLSRUSA-N 1 0 410.497 2.596 40 0 HFABRO Nc1cccc(-c2cn(C[C@H]3C[C@H]4CC[N@@H+]3C[C@@H]4C(=O)NCc3ccccc3)nn2)c1 ZINC000008254376 565090637 /nfs/dbraw/zinc/09/06/37/565090637.db2.gz OOWMNRBQZHRSNH-QIJUGHKUSA-N 1 0 416.529 2.554 40 0 biogenic,in-vitro HFABRO C[NH+](C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1Cc1cccnc1 ZINC000223260709 568543014 /nfs/dbraw/zinc/54/30/14/568543014.db2.gz LKZZYBJLOSNISL-SFTDATJTSA-N 1 0 406.559 2.861 40 0 HFABRO CS(=O)(=O)N(CCCC(=O)NCCC[NH+]1CCCCC1)c1ccc(F)c(F)c1 ZINC000223509110 568550628 /nfs/dbraw/zinc/55/06/28/568550628.db2.gz YTBPKSSHTWTJPJ-UHFFFAOYSA-N 1 0 417.522 2.503 40 0 HFABRO Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCC[NH+](C)C)cc2C)cc1 ZINC000224210754 568573893 /nfs/dbraw/zinc/57/38/93/568573893.db2.gz JLYQQHWXBJSWHW-UHFFFAOYSA-N 1 0 403.548 2.810 40 0 HFABRO Cc1ccc(C(=O)NCCC[N@H+]2CCC[C@@H](C)C2)cc1N1CCCCS1(=O)=O ZINC000224400601 568580320 /nfs/dbraw/zinc/58/03/20/568580320.db2.gz QVIYTTSLEBBMJJ-QGZVFWFLSA-N 1 0 407.580 2.777 40 0 HFABRO CS(=O)(=O)Nc1cccc(C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000224668061 568591576 /nfs/dbraw/zinc/59/15/76/568591576.db2.gz IEQCWOTVYPCMOS-UHFFFAOYSA-N 1 0 401.532 2.974 40 0 HFABRO CS(=O)(=O)N(CC(=O)NCc1ccccc1C[NH+]1CCCC1)c1ccc(F)cc1 ZINC000224765873 568595897 /nfs/dbraw/zinc/59/58/97/568595897.db2.gz GSNFSADSVCOKAK-UHFFFAOYSA-N 1 0 419.522 2.504 40 0 HFABRO C[NH+](C)CCOc1ccc(NC(=O)C(C)(C)NC(=O)OCc2ccccc2)cn1 ZINC000225925324 568686369 /nfs/dbraw/zinc/68/63/69/568686369.db2.gz RIQCEJALXOIYNQ-UHFFFAOYSA-N 1 0 400.479 2.666 40 0 HFABRO CN1C(=O)CCC[C@H]2C[N@@H+](Cc3cc(C(C)(C)C)ccc3OCC(N)=O)CC[C@H]21 ZINC000257220057 568782010 /nfs/dbraw/zinc/78/20/10/568782010.db2.gz DJIJLQRNTNCUSK-QFBILLFUSA-N 1 0 401.551 2.681 40 0 HFABRO O=C(c1cc(C(F)(F)F)n[nH]1)N1CCC[C@](O)(C[NH+]2CCC(F)(F)CC2)CC1 ZINC000257244224 568788602 /nfs/dbraw/zinc/78/86/02/568788602.db2.gz IKKVLISNIMBERB-OAHLLOKOSA-N 1 0 410.387 2.517 40 0 HFABRO C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC(c2cccc(Nc3ccccn3)n2)CC1 ZINC000257244652 568788757 /nfs/dbraw/zinc/78/87/57/568788757.db2.gz IMFZKHFGRBEHNG-GOSISDBHSA-N 1 0 409.534 2.895 40 0 HFABRO O=C(C[N@H+]1C[C@H]2[C@@H](C1)CCC[C@@H]2Cc1cncnc1)Nc1ccc2c(c1)OCCO2 ZINC000257268974 568795371 /nfs/dbraw/zinc/79/53/71/568795371.db2.gz MOAMHVQLWPOWFR-QWFCFKBJSA-N 1 0 408.502 2.777 40 0 HFABRO CC1CC[NH+](CC(=O)N2CCC(COc3cccc(Cl)c3)(CC(N)=O)CC2)CC1 ZINC000257288838 568801081 /nfs/dbraw/zinc/80/10/81/568801081.db2.gz PVYIFTBONRFGSY-UHFFFAOYSA-N 1 0 421.969 2.935 40 0 HFABRO Cc1n[nH]c(C)c1CC(=O)N1CCC[C@](O)(C[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC000257291905 568802087 /nfs/dbraw/zinc/80/20/87/568802087.db2.gz QJESIELQRNZORD-JOCHJYFZSA-N 1 0 402.514 2.584 40 0 HFABRO C[NH+](C)CC(=O)N1CCC(c2ccnc(Nc3ncccc3C(F)(F)F)n2)CC1 ZINC000257316771 568809186 /nfs/dbraw/zinc/80/91/86/568809186.db2.gz VGYPXYRPJPQKEL-UHFFFAOYSA-N 1 0 408.428 2.902 40 0 HFABRO CNC(=O)[C@@]1(c2ccccn2)CCCN1Cc1ccccc1OCC[NH+]1CCCC1 ZINC000257335179 568814615 /nfs/dbraw/zinc/81/46/15/568814615.db2.gz YIYSFIRHDUNAHF-DEOSSOPVSA-N 1 0 408.546 2.794 40 0 HFABRO CC(=O)N[C@]12C[N@H+](Cc3cccc(C)n3)[C@H](c3ccccc3)[C@H]1CCN(C(C)=O)C2 ZINC000257335937 568814984 /nfs/dbraw/zinc/81/49/84/568814984.db2.gz YMMJLTONKFTKDA-WXFUMESZSA-N 1 0 406.530 2.690 40 0 HFABRO Cc1cc(C)cc(C[NH+]2CCC3(CC2)CN(C)S(=O)(=O)c2cccnc2O3)c1 ZINC000306125050 568888031 /nfs/dbraw/zinc/88/80/31/568888031.db2.gz CFVOPLQFRGFVBU-UHFFFAOYSA-N 1 0 401.532 2.746 40 0 HFABRO O=C(NC1CCCCC1)c1nnc2n1CC1(CC[NH+](Cc3ccco3)CC1)COC2 ZINC000306125766 568888415 /nfs/dbraw/zinc/88/84/15/568888415.db2.gz DBVGQRZEVUDSKD-UHFFFAOYSA-N 1 0 413.522 2.746 40 0 HFABRO CC(C)N1CC[N@H+](CC2CC2)C[C@H]1c1nnc2ccc(C(=O)NC3CCCC3)cn21 ZINC000306126090 568888822 /nfs/dbraw/zinc/88/88/22/568888822.db2.gz DMGQJHMGVSLINT-FQEVSTJZSA-N 1 0 410.566 2.879 40 0 HFABRO Cc1c(F)cccc1C[N@@H+]1C[C@@H]2Cn3cc(C(=O)NC4CCCCC4)c(=O)nc3[C@@H]2C1 ZINC000306128141 568891029 /nfs/dbraw/zinc/89/10/29/568891029.db2.gz GRHQVUGYRHNTSR-IEBWSBKVSA-N 1 0 424.520 2.983 40 0 HFABRO COCCN1CC[C@@]2(C[N@H+](Cc3ccsc3)C[C@@H]2c2cn(C(C)C)cn2)C1=O ZINC000306132147 568894363 /nfs/dbraw/zinc/89/43/63/568894363.db2.gz LAAANIZXQPSAFX-NQIIRXRSSA-N 1 0 402.564 2.990 40 0 HFABRO Cn1cc(-c2ccc3nnc(C4CC[NH+](Cc5ccc6c(c5)OCO6)CC4)n3n2)cn1 ZINC000306135111 568896970 /nfs/dbraw/zinc/89/69/70/568896970.db2.gz OIBWDWFGKLXAFI-UHFFFAOYSA-N 1 0 417.473 2.633 40 0 HFABRO Cc1cccc(C[N@@H+]2C[C@@H]3Cn4c(nnc4C(=O)NCc4ccccc4)C[C@@H]3C2)c1 ZINC000306136186 568898020 /nfs/dbraw/zinc/89/80/20/568898020.db2.gz PLVQYDDXDFIEAJ-NHCUHLMSSA-N 1 0 401.514 2.821 40 0 HFABRO O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1C[N@@H+](Cc3ccc4c(c3)OCO4)C[C@@H]1C2 ZINC000306136341 568898139 /nfs/dbraw/zinc/89/81/39/568898139.db2.gz PQMUAVORWZQSIC-IRXDYDNUSA-N 1 0 417.469 2.563 40 0 HFABRO COc1cccc(C[N@H+]2C[C@@H]3Cc4nnc(C(=O)NCc5ccccc5)n4C[C@@H]3C2)c1 ZINC000306136654 568898416 /nfs/dbraw/zinc/89/84/16/568898416.db2.gz PZIDBYXJUVQWLQ-PMACEKPBSA-N 1 0 417.513 2.521 40 0 HFABRO CC(C)NC(=O)N1C[C@H]2CC[C@@H](CNC(=O)c3cccnc3)[N@@H+]2Cc2ccccc21 ZINC000306138194 568900226 /nfs/dbraw/zinc/90/02/26/568900226.db2.gz RSCSVHFQFOKRSC-VQTJNVASSA-N 1 0 407.518 2.783 40 0 HFABRO Cc1ccc(C[N@@H+]2C[C@H]3CCn4c(C(=O)NCc5ccc(F)cc5)nnc4[C@@H]3C2)o1 ZINC000306138962 568900954 /nfs/dbraw/zinc/90/09/54/568900954.db2.gz SLTKCMBPEBTNIK-VQIMIIECSA-N 1 0 409.465 2.868 40 0 HFABRO CCOC[C@@]1(C[NH3+])[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218181472 568927251 /nfs/dbraw/zinc/92/72/51/568927251.db2.gz WITKHYUWSAJNMU-AABGKKOBSA-N 1 0 423.918 2.990 40 0 HFABRO CCOC(=O)[C@@]1(C[NH3+])[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218652364 568942822 /nfs/dbraw/zinc/94/28/22/568942822.db2.gz BTXJLVOOORJGIC-LNLFQRSKSA-N 1 0 411.882 2.927 40 0 HFABRO CCOC[C@]1(C[NH3+])[C@@H](c2ccc3c(c2)OCO3)[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000242592445 568967915 /nfs/dbraw/zinc/96/79/15/568967915.db2.gz OUSLNOBMRLNRBX-PWRODBHTSA-N 1 0 403.500 2.645 40 0 HFABRO Cc1nc(N2CCc3ccc(S(N)(=O)=O)cc3C2)cc(NCc2ccccc2)[nH+]1 ZINC000328999258 568972006 /nfs/dbraw/zinc/97/20/06/568972006.db2.gz JVFIEYNCPZQKCW-UHFFFAOYSA-N 1 0 409.515 2.607 40 0 HFABRO CC(C)(C)c1ccc(C(=O)N2CCN(c3cn[nH+]c(N4CCOCC4)c3)CC2)cc1 ZINC000224328177 569057414 /nfs/dbraw/zinc/05/74/14/569057414.db2.gz PEFOJZLBLNYAFI-UHFFFAOYSA-N 1 0 409.534 2.573 40 0 HFABRO CC1CCC([N@@H+]2CCc3nc([C@H]4CCCN4C(=O)[C@H]4CCCO4)[nH]c(=O)c3C2)CC1 ZINC000248117971 569316437 /nfs/dbraw/zinc/31/64/37/569316437.db2.gz QJWVDGXNVSUGKR-YEYPGUGLSA-N 1 0 414.550 2.962 40 0 HFABRO Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCCC[NH+]1CCCCCC1 ZINC000010111295 569342854 /nfs/dbraw/zinc/34/28/54/569342854.db2.gz WHERIHFRUDUWRL-UHFFFAOYSA-N 1 0 407.580 2.775 40 0 HFABRO CCC[NH+]1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)CC3CCCCC3)C1)C2=O ZINC000019699998 569347115 /nfs/dbraw/zinc/34/71/15/569347115.db2.gz IMVBGVBSMCANAC-LJQANCHMSA-N 1 0 418.582 2.744 40 0 HFABRO CNc1cc(C2CC[NH2+]CC2)nc(CN(C)S(=O)(=O)Cc2ccc(Cl)cc2)n1 ZINC000019710097 569348189 /nfs/dbraw/zinc/34/81/89/569348189.db2.gz HITHMPQMUYILCF-UHFFFAOYSA-N 1 0 423.970 2.601 40 0 HFABRO CCOC(=O)[C@]1(C[NH3+])[C@@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000252514292 569387812 /nfs/dbraw/zinc/38/78/12/569387812.db2.gz BTXJLVOOORJGIC-YQVWRLOYSA-N 1 0 411.882 2.927 40 0 HFABRO C[NH2+]CC(=O)N1CCC(c2cncc(Nc3ncc(-c4ccccc4)s3)n2)CC1 ZINC000585263229 571305572 /nfs/dbraw/zinc/30/55/72/571305572.db2.gz QJTFJWMWQOQXON-UHFFFAOYSA-N 1 0 408.531 3.269 40 0 HFABRO COCCNC(=O)[C@@H]1Cc2cn(Cc3nccn3C)c3cccc(c23)[C@H](CC(C)C)[NH2+]1 ZINC000049171768 291222074 /nfs/dbraw/zinc/22/20/74/291222074.db2.gz IOQCBKXLQXUOEB-PMACEKPBSA-N 1 0 423.561 2.787 40 0 biogenic,in-vitro HFABRO S=C(NC[C@H]1C[C@@H]2CCN1C[C@@H]2C[NH+]1CCCC1)Nc1ccc(-n2cccn2)cc1 ZINC000067870760 291230629 /nfs/dbraw/zinc/23/06/29/291230629.db2.gz IWDHIAQPCGINPU-CNNODRBYSA-N 1 0 424.618 2.965 40 0 biogenic,in-vitro HFABRO CN(c1ccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1)S(C)(=O)=O ZINC000044871511 523633796 /nfs/dbraw/zinc/63/37/96/523633796.db2.gz YDHWBTNMYIGIFW-UHFFFAOYSA-N 1 0 401.532 2.608 40 0 HFABRO CS(=O)(=O)N(CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000044873695 525152172 /nfs/dbraw/zinc/15/21/72/525152172.db2.gz ISBDCQAMLFIXCB-UHFFFAOYSA-N 1 0 415.559 2.755 40 0 HFABRO COc1cccc(C(=O)N(C)[C@@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)CC2)c1 ZINC000019745585 558266028 /nfs/dbraw/zinc/26/60/28/558266028.db2.gz MAKYRRVHYZBDFV-HXUWFJFHSA-N 1 0 401.551 2.880 40 0 HFABRO Cc1nc([C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)ncc1C(=O)N1CCCCC1 ZINC000019765848 558278101 /nfs/dbraw/zinc/27/81/01/558278101.db2.gz RSIXLUONXHXPKO-FQEVSTJZSA-N 1 0 413.566 2.807 40 0 HFABRO CS(=O)(=O)N1Cc2ccccc2O[C@@]2(CCC[N@H+](CCc3ccccc3)C2)C1 ZINC000012087211 558322035 /nfs/dbraw/zinc/32/20/35/558322035.db2.gz XPUVMFPINUGKRC-JOCHJYFZSA-N 1 0 400.544 2.918 40 0 HFABRO CCc1nn(CC(=O)NCC[NH+](C(C)C)C(C)C)c(=O)c2cc3sccc3n21 ZINC000012115313 558327799 /nfs/dbraw/zinc/32/77/99/558327799.db2.gz KTQZPIFNIBYWPY-UHFFFAOYSA-N 1 0 403.552 2.508 40 0 HFABRO CC1CC[NH+](CC(=O)N2CCC(c3ccnc4nc(C(F)(F)F)nn43)CC2)CC1 ZINC000012118957 558330096 /nfs/dbraw/zinc/33/00/96/558330096.db2.gz FPEPFUAGZMGGEC-UHFFFAOYSA-N 1 0 410.444 2.581 40 0 HFABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1 ZINC000020106523 558333780 /nfs/dbraw/zinc/33/37/80/558333780.db2.gz PFTVTYSKNQXMQW-OAQYLSRUSA-N 1 0 421.607 2.997 40 0 HFABRO COc1ccc(-c2nccc3ccn(CC(=O)N[C@@H]4CCC[N@H+](C)C4)c32)cc1OC ZINC000012135489 558333829 /nfs/dbraw/zinc/33/38/29/558333829.db2.gz APOYHLDWLXLUOH-GOSISDBHSA-N 1 0 408.502 2.931 40 0 HFABRO Oc1ccc2c(c1)[C@H](O)CC1(CC[NH+](C[C@@H](O)c3ccc4c(c3)OCCO4)CC1)O2 ZINC000012329354 558383996 /nfs/dbraw/zinc/38/39/96/558383996.db2.gz HXWDHHGYIQZJAL-RTBURBONSA-N 1 0 413.470 2.548 40 0 HFABRO Oc1ccc2c(c1)[C@H](O)CC1(CC[NH+](C[C@H](O)c3ccc4c(c3)OCCO4)CC1)O2 ZINC000012329350 558384010 /nfs/dbraw/zinc/38/40/10/558384010.db2.gz HXWDHHGYIQZJAL-MOPGFXCFSA-N 1 0 413.470 2.548 40 0 HFABRO COc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(O)ccc2O3)cc1OC ZINC000012329685 558384536 /nfs/dbraw/zinc/38/45/36/558384536.db2.gz AUFMEMBJPLRYFX-MOPGFXCFSA-N 1 0 415.486 2.794 40 0 HFABRO COc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(O)ccc2O3)cc1OC ZINC000012329689 558384591 /nfs/dbraw/zinc/38/45/91/558384591.db2.gz AUFMEMBJPLRYFX-RTBURBONSA-N 1 0 415.486 2.794 40 0 HFABRO COCc1nc(N2CC[NH+](Cc3ccccc3)CC2)[nH]c(=O)c1Cc1ccccc1 ZINC000022448581 558489992 /nfs/dbraw/zinc/48/99/92/558489992.db2.gz RNGIAXSBBNIJOJ-UHFFFAOYSA-N 1 0 404.514 2.829 40 0 HFABRO Cc1cc(C)cc(N([C@H](C)C(=O)NCCC[NH+]2CCCCCC2)S(C)(=O)=O)c1 ZINC000013648874 558557722 /nfs/dbraw/zinc/55/77/22/558557722.db2.gz LAGJSDNBDDZQAG-LJQANCHMSA-N 1 0 409.596 2.840 40 0 HFABRO O=C(NCCC[NH+]1CCCCCC1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000016259110 558781337 /nfs/dbraw/zinc/78/13/37/558781337.db2.gz KRNIGNRMXJOQJN-UHFFFAOYSA-N 1 0 413.609 2.531 40 0 HFABRO COc1ccc(C2(NC(C)=O)CC[NH+](Cc3ccnc(N4CCCC4)n3)CC2)cc1 ZINC000019021162 558837912 /nfs/dbraw/zinc/83/79/12/558837912.db2.gz OENVBGGSBNFWRX-UHFFFAOYSA-N 1 0 409.534 2.713 40 0 HFABRO Cc1ccc(CC(=O)N2CC[C@H](c3nc4c(c(=O)[nH]3)CC[N@@H+](C3CCCC3)C4)C2)cc1 ZINC000019209291 558847842 /nfs/dbraw/zinc/84/78/42/558847842.db2.gz RIBHYTRHUWQAQW-IBGZPJMESA-N 1 0 420.557 2.938 40 0 HFABRO Cn1nc(-c2cccnc2)cc1C[NH+]1CCC(NC(=O)COc2ccccc2)CC1 ZINC000019288974 558861792 /nfs/dbraw/zinc/86/17/92/558861792.db2.gz OZXBREJFJROIFQ-UHFFFAOYSA-N 1 0 405.502 2.642 40 0 HFABRO O=C(C[C@@H]1C(=O)NCC[N@@H+]1C1CCCC1)N1CCC[C@@H](COc2ccc(F)cc2)C1 ZINC000019335798 558869933 /nfs/dbraw/zinc/86/99/33/558869933.db2.gz SMMDPYXXZWJSLN-DYESRHJHSA-N 1 0 417.525 2.576 40 0 HFABRO O=C(NCc1ncc[nH]1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019372576 558879836 /nfs/dbraw/zinc/87/98/36/558879836.db2.gz OGSSEBFEIOJWQY-WOJBJXKFSA-N 1 0 406.461 2.796 40 0 HFABRO CC(C)[N@@H+]1CCc2nc([C@@H]3CCCCN3C(=O)c3cc(C4CC4)n[nH]3)[nH]c(=O)c2C1 ZINC000019448159 558886942 /nfs/dbraw/zinc/88/69/42/558886942.db2.gz XILVVMCYXRTGML-IBGZPJMESA-N 1 0 410.522 2.504 40 0 HFABRO C[C@@H](CCC(=O)N1CCN([C@H](c2nccn2C)c2ccccc2)CC1)[NH+]1CCCC1 ZINC000019455572 558891791 /nfs/dbraw/zinc/89/17/91/558891791.db2.gz UYOHZCNGGLLKKV-REWPJTCUSA-N 1 0 409.578 2.918 40 0 HFABRO CCc1nc2ccccc2c(=O)n1CC1(O)CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000019523237 558904412 /nfs/dbraw/zinc/90/44/12/558904412.db2.gz XESBSQGVMGSRTQ-UHFFFAOYSA-N 1 0 407.514 2.995 40 0 HFABRO COc1cc(C[N@@H+]2CCC[C@H](Cn3nnc(-c4ccccn4)n3)C2)cc(OC)c1OC ZINC000019549797 558914650 /nfs/dbraw/zinc/91/46/50/558914650.db2.gz YBOJGWDVIKSYHG-INIZCTEOSA-N 1 0 424.505 2.673 40 0 HFABRO C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1CCc2c(=O)[nH]c(N3CCC(C)CC3)nc2C1 ZINC000072335640 558936920 /nfs/dbraw/zinc/93/69/20/558936920.db2.gz GANMBCCQHXABJQ-QGZVFWFLSA-N 1 0 424.545 2.972 40 0 HFABRO Cc1nn(C)cc1C(=O)NC1CC[NH+](Cc2cc(-c3ccc(F)cc3)nn2C)CC1 ZINC000019583611 558937981 /nfs/dbraw/zinc/93/79/81/558937981.db2.gz BHYZZSQDKLGXQC-UHFFFAOYSA-N 1 0 410.497 2.663 40 0 HFABRO COc1ccc(CCC(=O)N2CCC[C@H](c3nc4c(c(=O)[nH]3)C[N@H+](C)CC4)C2)cc1 ZINC000019590238 558940831 /nfs/dbraw/zinc/94/08/31/558940831.db2.gz YKGTUVIVSCFHIL-KRWDZBQOSA-N 1 0 410.518 2.518 40 0 HFABRO COc1ccc(C[NH+]2CCC(CNC(=O)[C@@H]3CCCN(c4cnccn4)C3)CC2)cc1 ZINC000072347701 558944771 /nfs/dbraw/zinc/94/47/71/558944771.db2.gz YVOHAUVVGHXCAP-OAQYLSRUSA-N 1 0 423.561 2.730 40 0 HFABRO Cc1cccc(NS(=O)(=O)c2cc(C(=O)NC3CC[NH+](C)CC3)ccc2C)c1 ZINC000061497215 558945314 /nfs/dbraw/zinc/94/53/14/558945314.db2.gz XPMMURIOSYHKAM-UHFFFAOYSA-N 1 0 401.532 2.928 40 0 HFABRO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+](CC(=O)N2CCC(C(N)=O)CC2)C1 ZINC000019659200 558950774 /nfs/dbraw/zinc/95/07/74/558950774.db2.gz GRLMPCCOZMYSKX-SFHVURJKSA-N 1 0 411.550 2.521 40 0 HFABRO Cc1cc2oc(=O)cc(C)c2cc1OC[C@H](O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000019691007 558960496 /nfs/dbraw/zinc/96/04/96/558960496.db2.gz DZHKOFQGQKGJRS-HXUWFJFHSA-N 1 0 408.498 2.972 40 0 HFABRO O=C(c1ccccc1)N1CCC2(CC1)NC(=O)N([C@@H]1CCC[N@@H+](C3CCCC3)C1)C2=O ZINC000019699648 558966688 /nfs/dbraw/zinc/96/66/88/558966688.db2.gz PEZGXQFIRNLFQX-HXUWFJFHSA-N 1 0 424.545 2.620 40 0 HFABRO COc1ccc(C[N@@H+]2CCC[C@@H](c3nnc(-c4cnccn4)o3)C2)c(OC)c1OC ZINC000072390060 558970474 /nfs/dbraw/zinc/97/04/74/558970474.db2.gz PJWRTVIFCVQOEU-OAHLLOKOSA-N 1 0 411.462 2.932 40 0 HFABRO C[NH+]1CCC(N2CCN(C(=O)c3ccc4nc(-c5ccc(F)cc5)cn4c3)CC2)CC1 ZINC000072391713 558971523 /nfs/dbraw/zinc/97/15/23/558971523.db2.gz UTTIWEJUMIHXPH-UHFFFAOYSA-N 1 0 421.520 2.992 40 0 HFABRO Cc1cc2c(cc1C[N@H+]1[C@@H]3CC[C@H]1CC(O)(Cn1nc(C4CC4)ccc1=O)C3)OCO2 ZINC000072394966 558973856 /nfs/dbraw/zinc/97/38/56/558973856.db2.gz HIYMNCHWZUYQDK-QRQCMCJISA-N 1 0 423.513 2.716 40 0 HFABRO Cc1nc(N2CCOCC2)sc1C[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000019715787 558977078 /nfs/dbraw/zinc/97/70/78/558977078.db2.gz YRASKGVDOFSUBD-UHFFFAOYSA-N 1 0 402.564 2.757 40 0 HFABRO Cc1cncc(C[NH+]2CCC3(CC(NC(=O)c4nnsc4C(C)C)C3)CC2)n1 ZINC000585103945 559025897 /nfs/dbraw/zinc/02/58/97/559025897.db2.gz UJNJDKCXKBBDLN-UHFFFAOYSA-N 1 0 400.552 2.935 40 0 HFABRO Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)[C@@H]2C[N@H+](Cc4ccccc4)C[C@@H]23)cc1 ZINC000585106246 559028561 /nfs/dbraw/zinc/02/85/61/559028561.db2.gz HZVKOHSBTNVGBD-YADHBBJMSA-N 1 0 403.526 2.848 40 0 HFABRO CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000585106338 559028725 /nfs/dbraw/zinc/02/87/25/559028725.db2.gz XGSVBKCLYDOMAR-AHRSYUTCSA-N 1 0 401.526 2.596 40 0 HFABRO CCCN1CCN(C(=O)C[NH3+])C[C@H](Cc2ccccc2-c2ccccc2OC)C1=O ZINC000585183641 559070400 /nfs/dbraw/zinc/07/04/00/559070400.db2.gz XSQFSMUGUXGPCX-IBGZPJMESA-N 1 0 409.530 2.560 40 0 HFABRO CCN1CC[C@@]2(CN(C(=O)N(C)C)CC23CC[NH+](Cc2cccs2)CC3)C1=O ZINC000096036567 559090442 /nfs/dbraw/zinc/09/04/42/559090442.db2.gz ZVYHVCUEMLGDED-OAQYLSRUSA-N 1 0 404.580 2.566 40 0 HFABRO O=C(NCCc1cccnc1)c1ccc2ccc(N3CC[NH+](CC4CC4)CC3)n2c1 ZINC000096267353 559108087 /nfs/dbraw/zinc/10/80/87/559108087.db2.gz VZHKPJXWLVKOHH-UHFFFAOYSA-N 1 0 403.530 2.839 40 0 HFABRO COc1ccccc1C(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[NH+]1CCCC1 ZINC000585262364 559110887 /nfs/dbraw/zinc/11/08/87/559110887.db2.gz BDSDJRJOAZGIND-YJMBLLCNSA-N 1 0 414.477 2.609 40 0 HFABRO CC(=O)N[C@@H]1C[C@@H](Oc2ccccc2Cl)[C@H](O)[C@H]1[N@@H+]1CCc2ccccc2C1 ZINC000585263332 559111983 /nfs/dbraw/zinc/11/19/83/559111983.db2.gz YOKIFBQOJUEBNS-YJMBLLCNSA-N 1 0 400.906 2.784 40 0 HFABRO Cc1cc(N2CC[C@@](O)(C[N@H+](C)Cc3ccc(OCc4ccccn4)cc3)C2)ncn1 ZINC000585269644 559115852 /nfs/dbraw/zinc/11/58/52/559115852.db2.gz FUJFIAWEBPXTPM-XMMPIXPASA-N 1 0 419.529 2.832 40 0 HFABRO CC(=O)NCCCOc1ccc(C[N@@H+]2CCC[C@@](O)(COc3ccccc3)C2)cc1 ZINC000585279640 559119278 /nfs/dbraw/zinc/11/92/78/559119278.db2.gz DZQCUYWPCSWPMX-DEOSSOPVSA-N 1 0 412.530 2.998 40 0 HFABRO Cn1ccnc1COc1ccc(CN2CC[C@@](O)(C[NH+]3CCC(F)(F)CC3)C2)cc1 ZINC000257228921 559283731 /nfs/dbraw/zinc/28/37/31/559283731.db2.gz FVWUFGXQOUJXQR-OAQYLSRUSA-N 1 0 420.504 2.667 40 0 HFABRO C[N@@H+](Cc1ccc(OCCCN2CCCC2=O)cc1)C[C@H](O)COc1ccccc1 ZINC000257277510 559285191 /nfs/dbraw/zinc/28/51/91/559285191.db2.gz NYGDDWNDODWSAZ-NRFANRHFSA-N 1 0 412.530 2.950 40 0 HFABRO COc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccc(F)cc3)[C@@H]2c2ccccc2)cc1 ZINC000409056083 560670305 /nfs/dbraw/zinc/67/03/05/560670305.db2.gz GEHVTBRZMXULDN-KSYIGNPDSA-O 1 0 418.448 2.850 40 0 HFABRO COc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2)cc1 ZINC000409055634 560671571 /nfs/dbraw/zinc/67/15/71/560671571.db2.gz CSISEAKPYCNXNZ-NXTBZVMJSA-O 1 0 418.448 2.850 40 0 HFABRO COc1ccc([C@H]2[C@@H](NC(=O)c3ccccc3)C(=O)N/[N+]2=C\c2ccc(F)cc2)cc1 ZINC000409061953 560671804 /nfs/dbraw/zinc/67/18/04/560671804.db2.gz KLDYBDRAVOVYNG-WXUIRWOTSA-O 1 0 418.448 2.850 40 0 HFABRO COc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccccc3)[C@H]2c2ccccc2)cc1 ZINC000409061942 560671839 /nfs/dbraw/zinc/67/18/39/560671839.db2.gz KICIQXYFUFVMLK-DZAWMCJLSA-O 1 0 400.458 2.711 40 0 HFABRO Cc1ccc(Cl)cc1N(CC(=O)NCCC[NH+](C)C)S(=O)(=O)c1ccccc1 ZINC000010111361 560763802 /nfs/dbraw/zinc/76/38/02/560763802.db2.gz SUXKBENDZGJPQX-UHFFFAOYSA-N 1 0 423.966 2.912 40 0 HFABRO Cc1ccccc1N(CC(=O)NCCC[NH+]1CCCC1)S(=O)(=O)c1ccccc1 ZINC000010450031 560769803 /nfs/dbraw/zinc/76/98/03/560769803.db2.gz COIPUDAXWXAXHP-UHFFFAOYSA-N 1 0 415.559 2.792 40 0 HFABRO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)Nc2ccc([C@@H]3NC(=O)c4cccnc4N3C)cc2)C1 ZINC000019462546 560873251 /nfs/dbraw/zinc/87/32/51/560873251.db2.gz XIGBGXULJODBCZ-VWKPWSFCSA-N 1 0 407.518 2.876 40 0 HFABRO Cc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000009991932 568415758 /nfs/dbraw/zinc/41/57/58/568415758.db2.gz FCCSPZBHMPITDT-UHFFFAOYSA-N 1 0 415.559 2.528 40 0 HFABRO COc1ccc(C[NH2+][C@@H]2C[C@@H](O)[C@H](CO)[C@H]2Cc2ccnc(-c3ccccc3)n2)cc1 ZINC000604382291 568489569 /nfs/dbraw/zinc/48/95/69/568489569.db2.gz NKXDZKQXSLQPAD-MOUTVQLLSA-N 1 0 419.525 2.842 40 0 biogenic,in-vitro HFABRO COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cc[nH+]cc1 ZINC000223680256 568555945 /nfs/dbraw/zinc/55/59/45/568555945.db2.gz ZBSBRMHKPKLPKJ-PMACEKPBSA-N 1 0 407.499 2.803 40 0 HFABRO COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCC[NH+](C)C)cc2C)cc1 ZINC000224225728 568574323 /nfs/dbraw/zinc/57/43/23/568574323.db2.gz PIKRUAMMZSQMQX-UHFFFAOYSA-N 1 0 419.547 2.510 40 0 HFABRO Cn1c2ccc(S(=O)(=O)NCc3ccc(C[NH+]4CCCC4)cc3)cc2sc1=O ZINC000224520612 568583496 /nfs/dbraw/zinc/58/34/96/568583496.db2.gz CHTGJZRGZIREFH-UHFFFAOYSA-N 1 0 417.556 2.674 40 0 HFABRO Cc1cc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)ccc1N(C)S(C)(=O)=O ZINC000224634821 568589794 /nfs/dbraw/zinc/58/97/94/568589794.db2.gz APGBQIYMWVKZNU-UHFFFAOYSA-N 1 0 415.559 2.917 40 0 HFABRO CS(=O)(=O)c1ccc(S(=O)(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000224697778 568592649 /nfs/dbraw/zinc/59/26/49/568592649.db2.gz BEKXRZOUIRIGPA-UHFFFAOYSA-N 1 0 422.572 2.555 40 0 HFABRO COC(=O)c1ccc(CS(=O)(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000224785339 568596861 /nfs/dbraw/zinc/59/68/61/568596861.db2.gz PSWBOWOKVNYQAK-UHFFFAOYSA-N 1 0 402.516 2.689 40 0 HFABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000260793285 568739273 /nfs/dbraw/zinc/73/92/73/568739273.db2.gz MPBBIDNTGOVEAU-KRWDZBQOSA-N 1 0 415.987 2.731 40 0 HFABRO CC(C)(C)OC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CCc1cc(=O)[nH]c(N)n1 ZINC000257250832 568790563 /nfs/dbraw/zinc/79/05/63/568790563.db2.gz JOEFYEDWFGGUIZ-AEFFLSMTSA-N 1 0 413.522 2.722 40 0 HFABRO CN(C)S(=O)(=O)N1CCC[C@H](c2cc(-n3ccnc3-c3ccccc3)cc[nH+]2)C1 ZINC000257314538 568808603 /nfs/dbraw/zinc/80/86/03/568808603.db2.gz UXKRVBAYSMBQNG-SFHVURJKSA-N 1 0 411.531 2.920 40 0 HFABRO COC1CC[NH+]([C@@H]2[C@@H](O)[C@H](Oc3ccccc3)C[C@H]2NC(=O)CC2CCCC2)CC1 ZINC000257341213 568816359 /nfs/dbraw/zinc/81/63/59/568816359.db2.gz ZJJKDDKQVDQUOO-HTDNTCHWSA-N 1 0 416.562 2.743 40 0 HFABRO O=C(NCc1ccccc1)c1nnc2n1C[C@H]1C[N@@H+](CCc3ccccc3)C[C@@H]1C2 ZINC000306126336 568889032 /nfs/dbraw/zinc/88/90/32/568889032.db2.gz DSZGIHYUTIXSTI-LEWJYISDSA-N 1 0 401.514 2.555 40 0 HFABRO COc1ccccc1C[N@@H+]1C[C@@H]2Cn3c(nnc3C(=O)NCc3ccccc3)C[C@@H]2C1 ZINC000306126707 568889494 /nfs/dbraw/zinc/88/94/94/568889494.db2.gz FCTAFGHCCDETEJ-WOJBJXKFSA-N 1 0 417.513 2.521 40 0 HFABRO O=C(NCc1ccccc1)c1cn2c(nc1=O)[C@]1(CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000306126778 568889614 /nfs/dbraw/zinc/88/96/14/568889614.db2.gz FEZYZIOOXBADGG-VWLOTQADSA-N 1 0 414.509 2.721 40 0 HFABRO C[C@@H]1CCCCN1C(=O)c1nnc2n1CCN(C)C21CC[NH+](Cc2ccccc2)CC1 ZINC000306129237 568891779 /nfs/dbraw/zinc/89/17/79/568891779.db2.gz HYDPXCBWEZMNIN-LJQANCHMSA-N 1 0 422.577 2.729 40 0 HFABRO CC[C@H](C)NC(=O)c1nnc2n1CC1(CC[NH+](Cc3cccc(F)c3)CC1)COC2 ZINC000306132472 568894666 /nfs/dbraw/zinc/89/46/66/568894666.db2.gz LKIOJLIIQBOWSD-INIZCTEOSA-N 1 0 415.513 2.758 40 0 HFABRO COc1cccc(C[N@H+]2C[C@@H]3Cc4nnc(C(=O)Nc5cccc(F)c5)n4C[C@H]3C2)c1 ZINC000306135159 568896927 /nfs/dbraw/zinc/89/69/27/568896927.db2.gz OJOVYBFMMGGODG-DLBZAZTESA-N 1 0 421.476 2.982 40 0 HFABRO O=C1N(Cc2ccncc2)CCO[C@@]12C[N@H+](Cc1cccs1)C[C@@H]2c1cccnc1 ZINC000306135898 568897737 /nfs/dbraw/zinc/89/77/37/568897737.db2.gz PEBRGZHAEDBTTO-FYYLOGMGSA-N 1 0 420.538 2.935 40 0 HFABRO Cc1cccc(C[N@H+]2C[C@H]3Cc4nnc(C(=O)NCc5ccccc5)n4C[C@@H]3C2)c1 ZINC000306136187 568898009 /nfs/dbraw/zinc/89/80/09/568898009.db2.gz PLVQYDDXDFIEAJ-RTWAWAEBSA-N 1 0 401.514 2.821 40 0 HFABRO COc1cccc(C[N@H+]2C[C@@H]3Cc4nnc(C(=O)NCc5ccccc5)n4C[C@H]3C2)c1 ZINC000306136656 568898481 /nfs/dbraw/zinc/89/84/81/568898481.db2.gz PZIDBYXJUVQWLQ-VQTJNVASSA-N 1 0 417.513 2.521 40 0 HFABRO c1cc(C[N@@H+]2CCC[C@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)cc2c1OCO2 ZINC000306137748 568899579 /nfs/dbraw/zinc/89/95/79/568899579.db2.gz REWRCRPTLMWXHK-SFHVURJKSA-N 1 0 421.501 2.674 40 0 HFABRO Cc1ncsc1C[N@H+]1C[C@@H]2Cc3nnc(C(=O)Nc4cccc(F)c4)n3C[C@H]2C1 ZINC000306140989 568902826 /nfs/dbraw/zinc/90/28/26/568902826.db2.gz VIIWNZRPFCRWKK-UONOGXRCSA-N 1 0 412.494 2.739 40 0 HFABRO O=C1N(Cc2ccsc2)CCO[C@]12C[N@H+](Cc1cccnc1)C[C@@H]2c1cccnc1 ZINC000306144526 568905879 /nfs/dbraw/zinc/90/58/79/568905879.db2.gz ZHWCALRBPJPEOD-GGAORHGYSA-N 1 0 420.538 2.935 40 0 HFABRO CCOC(=O)[C@]1(C[NH3+])[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218655234 568908619 /nfs/dbraw/zinc/90/86/19/568908619.db2.gz VYIBRQWTSZPVGD-ZIFCJYIRSA-N 1 0 411.882 2.927 40 0 HFABRO COC[C@@]1(C[NH3+])[C@@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218181247 568927273 /nfs/dbraw/zinc/92/72/73/568927273.db2.gz XBFJYMNVCOJWGZ-FHWLQOOXSA-N 1 0 409.891 2.600 40 0 HFABRO [NH3+][C@@]1(CO)[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218241666 568928601 /nfs/dbraw/zinc/92/86/01/568928601.db2.gz CJEHKWYEIGCAAD-JYJNAYRXSA-N 1 0 416.724 2.732 40 0 HFABRO C[NH+](C)CCCNc1nc(Nc2c(F)ccc(F)c2F)cc(-c2ccncc2)n1 ZINC000328993223 568971788 /nfs/dbraw/zinc/97/17/88/568971788.db2.gz JAHYGHBWDPCFAY-UHFFFAOYSA-N 1 0 402.424 2.907 40 0 HFABRO COc1ncc([C@]2(O)CCC[C@H]3C[N@H+](Cc4cc(F)cc(F)c4)C[C@H]32)c(OC)n1 ZINC000247878555 569315598 /nfs/dbraw/zinc/31/55/98/569315598.db2.gz PBTAOUAWCZBFLG-FIKMYACPSA-N 1 0 405.445 2.892 40 0 HFABRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cn(CC(=O)NC[C@H]2CCCO2)c2ccccc12 ZINC000249703411 569316913 /nfs/dbraw/zinc/31/69/13/569316913.db2.gz ZTQDARNKWLARFX-HLAWJBBLSA-N 1 0 410.562 2.605 40 0 HFABRO C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)C[N@H+](Cc2cccs2)CC3)C1 ZINC000019463271 569345544 /nfs/dbraw/zinc/34/55/44/569345544.db2.gz GYIXNGBNPZDIMQ-BFYDXBDKSA-N 1 0 412.559 2.752 40 0 HFABRO CCC[NH+]1CCC2(CC1)NC(=O)N(C1CCN(C(=O)CCC3CCCC3)CC1)C2=O ZINC000019699353 569346928 /nfs/dbraw/zinc/34/69/28/569346928.db2.gz CSUBPZBHAXIIFQ-UHFFFAOYSA-N 1 0 418.582 2.744 40 0 HFABRO CN(C)c1cc(CN(C)C(=O)c2nccc3ccccc32)nc([C@H]2CCC[NH2+]C2)n1 ZINC000019709716 569348115 /nfs/dbraw/zinc/34/81/15/569348115.db2.gz VUYXIGCGHLXYPJ-KRWDZBQOSA-N 1 0 404.518 2.830 40 0 HFABRO CNc1cc(C[NH+](C)C)nc([C@H]2CCCN2C(=O)CCc2ccc(N(C)C)cc2)n1 ZINC000019760552 569348847 /nfs/dbraw/zinc/34/88/47/569348847.db2.gz WUTOOTYQNYQICH-HXUWFJFHSA-N 1 0 410.566 2.942 40 0 HFABRO C[NH+](C)CCNc1nc(Nc2ccc(N3CCOCC3)cc2)cc(-c2ccncc2)n1 ZINC000329060841 571304702 /nfs/dbraw/zinc/30/47/02/571304702.db2.gz WORDKBYFQMPCQT-UHFFFAOYSA-N 1 0 419.533 3.092 40 0 HFABRO CC(C)c1cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)nc(NC2CCCC2)[nH+]1 ZINC000329054664 571306483 /nfs/dbraw/zinc/30/64/83/571306483.db2.gz VKDWZNOEAIHLBD-UHFFFAOYSA-N 1 0 415.563 3.165 40 0 HFABRO CC(C)[NH2+][C@H]1CC(C)(C)[C@@H]2C[C@@](C)(O)CC[C@]12CCC(=O)NCCN1CCOCC1 ZINC000020464605 291217214 /nfs/dbraw/zinc/21/72/14/291217214.db2.gz QTFPZVNCJKSWJG-TZYAJKAJSA-N 1 0 423.642 2.549 40 0 biogenic,in-vitro HFABRO Cn1nc(C2CCCCC2)cc1[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNC(=O)N1CCOCC1 ZINC000012602035 291227518 /nfs/dbraw/zinc/22/75/18/291227518.db2.gz FGFSIUMRZOBHIP-ZCNNSNEGSA-N 1 0 415.582 2.687 40 0 biogenic,in-vitro HFABRO c1c(COc2ccccc2)nnn1[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2[NH2+]CCCc1ccccc1 ZINC000005438298 291230637 /nfs/dbraw/zinc/23/06/37/291230637.db2.gz YDXQDTPRKIMCJE-CJRSTVEYSA-N 1 0 420.513 2.787 40 0 biogenic,in-vitro HFABRO CC(C)NC(=O)[C@H]1C[N@H+](Cc2ccncc2)C[C@@H]1c1ccnc(N2CCCCC2)n1 ZINC000019450129 132467365 /nfs/dbraw/zinc/46/73/65/132467365.db2.gz RPBPOJKLPRVKSE-PMACEKPBSA-N 1 0 408.550 2.602 40 0 HFABRO COc1ccc([C@@]2(C[NH+](C)C)COc3cc(OC)c(OC)cc3C2=O)cc1OC ZINC000001620144 557276630 /nfs/dbraw/zinc/27/66/30/557276630.db2.gz KPFMEBHRNITQLZ-JOCHJYFZSA-N 1 0 401.459 2.796 40 0 HFABRO C[NH+](C)CCCNC(=O)CN1N=C(c2ccccc2)Cn2c(cc3ccccc32)C1=O ZINC000012117973 558329581 /nfs/dbraw/zinc/32/95/81/558329581.db2.gz OHBJVDWQWLJERL-UHFFFAOYSA-N 1 0 417.513 2.569 40 0 HFABRO CC(C)(C)C1=NN(CC(=O)N[C@@H]2C[NH+]3CCC2CC3)C(=O)c2cc3ccccc3n2C1 ZINC000012145905 558337374 /nfs/dbraw/zinc/33/73/74/558337374.db2.gz KUZGUDYCRJTTDK-GOSISDBHSA-N 1 0 421.545 2.710 40 0 HFABRO O=C1CCc2cc(S(=O)(=O)NC[C@@H]3CCC[N@H+](Cc4ccccc4)C3)ccc2N1 ZINC000012239034 558359620 /nfs/dbraw/zinc/35/96/20/558359620.db2.gz GOBWERKELMLQPO-SFHVURJKSA-N 1 0 413.543 2.762 40 0 HFABRO CC[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc(OC)c(N2CCCC2=O)c1 ZINC000020491834 558378264 /nfs/dbraw/zinc/37/82/64/558378264.db2.gz IUXMAXMJQCCPMZ-KRWDZBQOSA-N 1 0 423.579 2.755 40 0 HFABRO CC[NH+]1CCN(Cc2c(Cl)nc3ccc(OC)cc3c2N2CCOCC2)CC1 ZINC000022916064 558521684 /nfs/dbraw/zinc/52/16/84/558521684.db2.gz TWWJAISACKNKKH-UHFFFAOYSA-N 1 0 404.942 2.871 40 0 HFABRO Cc1cc(C)cc(N(CC(=O)NCCC[NH+](C)C)S(=O)(=O)c2ccccc2)c1 ZINC000013613644 558549432 /nfs/dbraw/zinc/54/94/32/558549432.db2.gz XUQPJIMEQDCZOP-UHFFFAOYSA-N 1 0 403.548 2.567 40 0 HFABRO CS(=O)(=O)c1ccc(S(=O)(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000024052006 558586924 /nfs/dbraw/zinc/58/69/24/558586924.db2.gz POWLQVVJMDVWJJ-UHFFFAOYSA-N 1 0 422.572 2.555 40 0 HFABRO COc1ccc(S(=O)(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1NC(C)=O ZINC000026843237 558665869 /nfs/dbraw/zinc/66/58/69/558665869.db2.gz QBGFBKNOACSWQD-UHFFFAOYSA-N 1 0 417.531 2.728 40 0 HFABRO COc1ccc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCC2)cc1NC(C)=O ZINC000031075381 558747827 /nfs/dbraw/zinc/74/78/27/558747827.db2.gz ZNPVZSAMSFPNJD-UHFFFAOYSA-N 1 0 417.531 2.728 40 0 HFABRO COc1ccccc1N1CC[NH+](C[C@H](O)c2ccc3c(c2)CCCN3C(C)=O)CC1 ZINC000036741180 558801920 /nfs/dbraw/zinc/80/19/20/558801920.db2.gz KFEWELSLWZTLHK-QHCPKHFHSA-N 1 0 409.530 2.850 40 0 HFABRO COc1ccc(C[N@@H+]2CCc3nc([C@@H]4CCN(C(=O)C(C)(C)C)C4)[nH]c(=O)c3C2)cc1 ZINC000019081062 558839290 /nfs/dbraw/zinc/83/92/90/558839290.db2.gz DLWBEZBZMRTNSR-QGZVFWFLSA-N 1 0 424.545 2.699 40 0 HFABRO Cc1ccc(CC(=O)N2CC[C@@H](c3nc4c(c(=O)[nH]3)CC[N@@H+](C3CCCC3)C4)C2)cc1 ZINC000019209289 558847862 /nfs/dbraw/zinc/84/78/62/558847862.db2.gz RIBHYTRHUWQAQW-LJQANCHMSA-N 1 0 420.557 2.938 40 0 HFABRO COc1ccccc1-c1ccccc1C[C@H]1C[N@H+](Cc2cnn(C)c2)CCNC1=O ZINC000019290705 558863086 /nfs/dbraw/zinc/86/30/86/558863086.db2.gz MBFZAJMCLPMTIM-FQEVSTJZSA-N 1 0 404.514 2.886 40 0 HFABRO O=C(C[C@@H]1C(=O)NCC[N@@H+]1C1CCCC1)N1CCC[C@H](COc2ccc(F)cc2)C1 ZINC000019335803 558869853 /nfs/dbraw/zinc/86/98/53/558869853.db2.gz SMMDPYXXZWJSLN-LAUBAEHRSA-N 1 0 417.525 2.576 40 0 HFABRO O=C(C1CCC1)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)C[N@H+](Cc2cccs2)CC3)C1 ZINC000019343593 558872441 /nfs/dbraw/zinc/87/24/41/558872441.db2.gz QHQZHQZGVRGQGY-MRXNPFEDSA-N 1 0 412.559 2.896 40 0 HFABRO O=C(c1ccccc1F)N1CC[C@@H](c2nc3c(c(=O)[nH]2)C[N@@H+](C2CCCC2)CC3)C1 ZINC000019347447 558873845 /nfs/dbraw/zinc/87/38/45/558873845.db2.gz CXYWMOJEWXUCLT-OAHLLOKOSA-N 1 0 410.493 2.839 40 0 HFABRO O=C([C@@H]1C[N@H+](Cc2ccccc2)C[C@]12CCc1ccccc1C2=O)N1CCC(O)CC1 ZINC000019372623 558879795 /nfs/dbraw/zinc/87/97/95/558879795.db2.gz LFGVDLCMRPVDGZ-JYFHCDHNSA-N 1 0 418.537 2.917 40 0 HFABRO O=C(c1cnccn1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](C1CCCCC1)CC2 ZINC000019403707 558884454 /nfs/dbraw/zinc/88/44/54/558884454.db2.gz YFZUHXYONKUMKM-FQEVSTJZSA-N 1 0 422.533 2.618 40 0 HFABRO Cc1cc(C)n(Cc2c(C)onc2C(=O)N(C[C@@H]2CCCO2)C2CC[NH+](C)CC2)n1 ZINC000019574294 558931924 /nfs/dbraw/zinc/93/19/24/558931924.db2.gz YNSUYKOIBAGUBA-IBGZPJMESA-N 1 0 415.538 2.560 40 0 HFABRO Cc1cc(C)n(Cc2c(C)onc2C(=O)N(C[C@H]2CCCO2)C2CC[NH+](C)CC2)n1 ZINC000019574297 558931973 /nfs/dbraw/zinc/93/19/73/558931973.db2.gz YNSUYKOIBAGUBA-LJQANCHMSA-N 1 0 415.538 2.560 40 0 HFABRO O=C(CCn1c(=O)oc2cc(Cl)ccc21)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000019661542 558952756 /nfs/dbraw/zinc/95/27/56/558952756.db2.gz BURHZHAHEIWEDP-UHFFFAOYSA-N 1 0 414.893 2.814 40 0 HFABRO O=C(C[N@H+]1CCC[C@@H](c2nccnc2-c2cccc(Cl)c2)C1)N1CCOCC1 ZINC000072358535 558954055 /nfs/dbraw/zinc/95/40/55/558954055.db2.gz ASULAHHFWHPLOE-QGZVFWFLSA-N 1 0 400.910 2.835 40 0 HFABRO O=C(CN1CCC[N@@H+](Cc2cccc(F)c2)CC1)N1CCC[C@H](c2csnn2)C1 ZINC000072372998 558960885 /nfs/dbraw/zinc/96/08/85/558960885.db2.gz IAJCKCYBIUDIQZ-SFHVURJKSA-N 1 0 417.554 2.591 40 0 HFABRO O=C(CNC(=O)c1ccc([C@H]2CCC[N@H+](Cc3ccccn3)C2)nc1)N1CCCCC1 ZINC000019705992 558968530 /nfs/dbraw/zinc/96/85/30/558968530.db2.gz PTESNEHGPCGJKW-FQEVSTJZSA-N 1 0 421.545 2.599 40 0 HFABRO CNc1nc([C@@H]2CCC[N@H+](C)C2)nc2c1CCN(C(=O)Cc1c[nH]c3ccccc13)C2 ZINC000019708836 558971529 /nfs/dbraw/zinc/97/15/29/558971529.db2.gz IFWGITACCLTFAW-MRXNPFEDSA-N 1 0 418.545 2.936 40 0 HFABRO COc1ccccc1CNc1nc([C@@H]2CCC[N@H+](C)C2)nc2c1CN(C(C)=O)CC2 ZINC000019711325 558973411 /nfs/dbraw/zinc/97/34/11/558973411.db2.gz GAOJSMLPFOXGDU-GOSISDBHSA-N 1 0 409.534 2.811 40 0 HFABRO CC(=O)N1Cc2ccccc2O[C@]2(CCCN(C(=O)[C@@H]([NH3+])Cc3ccccc3)CC2)C1 ZINC000072394767 558973804 /nfs/dbraw/zinc/97/38/04/558973804.db2.gz RICIDVOPHLKHEU-DHLKQENFSA-N 1 0 421.541 2.749 40 0 HFABRO C[C@@H]1C[C@H]1C(=O)N1CCC[C@H](c2nc3c(c(=O)[nH]2)C[N@H+](Cc2cccs2)CC3)C1 ZINC000072399050 558976566 /nfs/dbraw/zinc/97/65/66/558976566.db2.gz GYIXNGBNPZDIMQ-HLLBOEOZSA-N 1 0 412.559 2.752 40 0 HFABRO COc1cc([C@H]2c3cc4c(cc3O[C@H]([NH2+]CCO)[C@H]2C)OCO4)cc(OC)c1OC ZINC000073410562 558986290 /nfs/dbraw/zinc/98/62/90/558986290.db2.gz CHLPTPUGQIRMDQ-APKAMQJDSA-N 1 0 417.458 2.510 40 0 HFABRO COc1cc([C@@H]2c3cc4c(cc3O[C@H]([NH2+]CCO)[C@H]2C)OCO4)cc(OC)c1OC ZINC000073410556 558986308 /nfs/dbraw/zinc/98/63/08/558986308.db2.gz CHLPTPUGQIRMDQ-MPEVJZSWSA-N 1 0 417.458 2.510 40 0 HFABRO O=C(C[N@@H+]1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CC[C@H](c2ccccc2)C1 ZINC000257280125 558999579 /nfs/dbraw/zinc/99/95/79/558999579.db2.gz OJNQMSQXNKPZBC-LEWJYISDSA-N 1 0 420.557 2.775 40 0 HFABRO COC[C@@H]1CC2(C[N@@H+]1Cc1cccnc1)CCN(C(=O)c1csc(C)n1)CC2 ZINC000585103491 559026643 /nfs/dbraw/zinc/02/66/43/559026643.db2.gz GYDOQOCNTNRFKG-SFHVURJKSA-N 1 0 400.548 2.990 40 0 HFABRO C[N@@H+]1Cc2c(-c3ccccc3)ncn2[C@]2(CCCN(C(=O)Cc3ccccn3)C2)C1 ZINC000585107474 559027953 /nfs/dbraw/zinc/02/79/53/559027953.db2.gz XAPBHRIMDFCPAQ-XMMPIXPASA-N 1 0 401.514 2.951 40 0 HFABRO CC[N@@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CCN(C(=O)c1ccncc1)CC3 ZINC000096036325 559089934 /nfs/dbraw/zinc/08/99/34/559089934.db2.gz NGSOOOKWUDLEDJ-GBXCKJPGSA-N 1 0 410.562 2.658 40 0 HFABRO Cc1ccc(C[NH+]2CCC3(CC2)O[C@H](C(=O)NCC(C)C)Cn2ccnc23)s1 ZINC000096036774 559090557 /nfs/dbraw/zinc/09/05/57/559090557.db2.gz ORVQJJPLBZSFOY-SFHVURJKSA-N 1 0 402.564 2.915 40 0 HFABRO Cn1cc(C[NH+]2CCC3(C[C@H](CC(=O)N4CCN(C)CC4)c4ccccc43)CC2)cn1 ZINC000096052929 559092736 /nfs/dbraw/zinc/09/27/36/559092736.db2.gz AAHWOTLXAHXFCD-NRFANRHFSA-N 1 0 421.589 2.605 40 0 HFABRO CCN1CC[C@]2(C[N@H+](CCOC)CC23CCN(C(=O)Nc2ccccc2)CC3)C1=O ZINC000096144365 559096644 /nfs/dbraw/zinc/09/66/44/559096644.db2.gz RXHWNTHRSJIHGL-QHCPKHFHSA-N 1 0 414.550 2.501 40 0 HFABRO COc1cccc(CC(=O)N2CC[C@H]3[N@H+](C)CC[C@@]3(C(=O)Nc3cccnc3)CC2)c1 ZINC000096145289 559097240 /nfs/dbraw/zinc/09/72/40/559097240.db2.gz DWOUILIHZJRVLF-ZJSXRUAMSA-N 1 0 422.529 2.584 40 0 HFABRO C[N@@H+]1CCCN(C(=O)c2nc(-c3cn(-c4ccccc4)cn3)n3ccccc23)CC1 ZINC000096155063 559099360 /nfs/dbraw/zinc/09/93/60/559099360.db2.gz JMWYVOXUIZTRHY-UHFFFAOYSA-N 1 0 400.486 2.965 40 0 HFABRO Cc1ccc(CNC(=O)c2ccc3nnc([C@@H]4CC[N@H+](Cc5cccnc5)C4)n3c2)o1 ZINC000096156205 559100285 /nfs/dbraw/zinc/10/02/85/559100285.db2.gz DHELOKOJXZOBBA-GOSISDBHSA-N 1 0 416.485 2.945 40 0 HFABRO Cc1ccc(CC(=O)N2CCC3(C[N@@H+](CC(C)C)C[C@]34CCN(C)C4=O)CC2)cc1 ZINC000096262733 559106678 /nfs/dbraw/zinc/10/66/78/559106678.db2.gz QHYRSJRBNPFUCQ-VWLOTQADSA-N 1 0 411.590 2.966 40 0 HFABRO CC(=O)N[C@@H]1C[C@@H](Oc2ccccc2Cl)[C@H](O)[C@H]1[N@H+](C)Cc1ccc(F)cc1 ZINC000585262258 559110754 /nfs/dbraw/zinc/11/07/54/559110754.db2.gz AMMCWMVZBHCCRO-PBASOCQRSA-N 1 0 406.885 2.996 40 0 HFABRO COc1ccccc1CNC(=O)C[N@@H+]1CCC[C@@](O)(COc2ccc(C)cc2)CC1 ZINC000585274168 559118517 /nfs/dbraw/zinc/11/85/17/559118517.db2.gz TWOXYBJDTLNIRB-DEOSSOPVSA-N 1 0 412.530 2.916 40 0 HFABRO O=C(Cc1ccccc1)N1CC[C@H](O)[C@@](O)(C[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000585283917 559120843 /nfs/dbraw/zinc/12/08/43/559120843.db2.gz ISDBYUXFKITCEA-AZGAKELHSA-N 1 0 422.569 2.508 40 0 HFABRO CC(C)[N@H+](Cc1ccccc1)C[C@]1(O)CN(C(=O)Cc2ccc(Cl)cc2)C[C@H]1O ZINC000585290561 559123343 /nfs/dbraw/zinc/12/33/43/559123343.db2.gz CRXHZOUIGQABBL-GGAORHGYSA-N 1 0 416.949 2.727 40 0 HFABRO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccc(N3CC[NH2+]CC3)nc2)cc1 ZINC000072216320 559169443 /nfs/dbraw/zinc/16/94/43/559169443.db2.gz QKLSUOYWAILFJW-HXUWFJFHSA-N 1 0 400.548 2.716 40 0 HFABRO COc1ccc2cc(CN(CCC[NH+](C)C)C(=S)NCC(C)C)c(=O)[nH]c2c1 ZINC000004161996 560602158 /nfs/dbraw/zinc/60/21/58/560602158.db2.gz QKNBBIGKKBKKNN-UHFFFAOYSA-N 1 0 404.580 2.821 40 0 HFABRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)[nH]c(=O)n2Cc1ccc(OC)cc1 ZINC000005001841 560620233 /nfs/dbraw/zinc/62/02/33/560620233.db2.gz FEGCIHWFMHLMOZ-GOSISDBHSA-N 1 0 408.502 2.601 40 0 HFABRO COc1ccc([C@H]2[C@@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2ccccc2)cc1 ZINC000409056426 560670385 /nfs/dbraw/zinc/67/03/85/560670385.db2.gz RGNGCUPMEQDHQK-WXUIRWOTSA-O 1 0 418.448 2.850 40 0 HFABRO COc1cccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccccc3)[C@H]2c2ccccc2)c1 ZINC000409057256 560670517 /nfs/dbraw/zinc/67/05/17/560670517.db2.gz JZWSYJHHGRLXPQ-PJIZFRNJSA-O 1 0 400.458 2.711 40 0 HFABRO COc1ccccc1/C=[N+]1\NC(=O)[C@@H](NC(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000409068192 560672584 /nfs/dbraw/zinc/67/25/84/560672584.db2.gz KPSFBYCQLXKVAY-DZAWMCJLSA-O 1 0 400.458 2.711 40 0 HFABRO COc1ccc([C@@H]2NC3=NCN(CCC[NH+](C)C)CN3c3nc4ccccc4n32)cc1 ZINC000009262555 560758325 /nfs/dbraw/zinc/75/83/25/560758325.db2.gz LERWOPPXLDMQGP-OAQYLSRUSA-N 1 0 419.533 2.540 40 0 HFABRO Cc1ccc(N(CC(=O)NCC[NH+](C)C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000010111627 560779721 /nfs/dbraw/zinc/77/97/21/560779721.db2.gz YJOCOBJNHYMHRK-UHFFFAOYSA-N 1 0 409.939 2.522 40 0 HFABRO OC[C@H]1[C@H](O)C[C@@H]([NH2+]Cc2ccc(F)cc2)[C@@H]1Cc1ccnc(-c2ccccc2)n1 ZINC000604382277 568489580 /nfs/dbraw/zinc/48/95/80/568489580.db2.gz MVHMNMXRLRLTJO-SSGKUCQKSA-N 1 0 407.489 2.973 40 0 biogenic,in-vitro HFABRO C[NH+](C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1Cc1cccnc1 ZINC000223260873 568543208 /nfs/dbraw/zinc/54/32/08/568543208.db2.gz LKZZYBJLOSNISL-NHCUHLMSSA-N 1 0 406.559 2.861 40 0 HFABRO CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cc[nH+]cc1 ZINC000223642969 568554590 /nfs/dbraw/zinc/55/45/90/568554590.db2.gz JXKGTQCIMWXDHI-VQTJNVASSA-N 1 0 407.499 2.803 40 0 HFABRO CN(c1cccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1)S(C)(=O)=O ZINC000224513897 568583145 /nfs/dbraw/zinc/58/31/45/568583145.db2.gz FZNSGHXHFFTRPS-UHFFFAOYSA-N 1 0 401.532 2.608 40 0 HFABRO CCN(c1ccc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1)S(C)(=O)=O ZINC000224616881 568588288 /nfs/dbraw/zinc/58/82/88/568588288.db2.gz XJASOFNLZMTOLH-UHFFFAOYSA-N 1 0 415.559 2.998 40 0 HFABRO CN(CC(=O)NCc1cccc(C[NH+]2CCCCC2)c1)S(=O)(=O)c1ccccc1 ZINC000224702538 568592934 /nfs/dbraw/zinc/59/29/34/568592934.db2.gz GXODOYDBSILBAY-UHFFFAOYSA-N 1 0 415.559 2.609 40 0 HFABRO CCC(=O)N1CCc2cc(S(=O)(=O)NCCC[N@H+]3CCCC[C@@H]3CC)ccc21 ZINC000225052484 568611338 /nfs/dbraw/zinc/61/13/38/568611338.db2.gz SOCOHUNUTLZQGM-SFHVURJKSA-N 1 0 407.580 2.919 40 0 HFABRO COc1cc(C[NH+]2CCC(NC(=S)NCc3ccco3)CC2)cc(OC)c1OC ZINC000225228881 568624665 /nfs/dbraw/zinc/62/46/65/568624665.db2.gz JUSGUZYEBYBGMY-UHFFFAOYSA-N 1 0 419.547 2.934 40 0 HFABRO Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCC[N@H+]3CCC[C@H](C)C3)CC2)cc1 ZINC000260890386 568743097 /nfs/dbraw/zinc/74/30/97/568743097.db2.gz CYPMXRJOAMAJCS-IBGZPJMESA-N 1 0 421.607 2.634 40 0 HFABRO CC(C)n1cc(C[NH+]2CCC3(C[C@@H](CNS(=O)(=O)c4ccccc4)O3)CC2)cn1 ZINC000247995403 568746905 /nfs/dbraw/zinc/74/69/05/568746905.db2.gz MGPNAEDXEOMMCI-IBGZPJMESA-N 1 0 418.563 2.566 40 0 HFABRO CNC(=O)c1sc2nc([C@H]3CCCCN3C(=O)C[NH+]3CCCCC3)ccc2c1N ZINC000257219557 568781855 /nfs/dbraw/zinc/78/18/55/568781855.db2.gz DHFVWIYSRWTZJH-MRXNPFEDSA-N 1 0 415.563 2.778 40 0 HFABRO O=C(C[NH+]1CCCC1)N1CCO[C@H](c2cc(CCOc3cccc(Cl)c3)n[nH]2)C1 ZINC000257247907 568789644 /nfs/dbraw/zinc/78/96/44/568789644.db2.gz JBCPERMBGIRNDB-FQEVSTJZSA-N 1 0 418.925 2.680 40 0 HFABRO Cn1cnc(S(=O)(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[NH2+][C@@H]3Cc2ccccc2)c1 ZINC000257265760 568794378 /nfs/dbraw/zinc/79/43/78/568794378.db2.gz MADUNWAJSQBBRI-BFUACXKISA-N 1 0 414.575 2.715 40 0 HFABRO CC[N@H+](Cc1ccncc1)C[C@]1(O)CCCN(C(=O)c2cc(C(C)(C)C)n[nH]2)CC1 ZINC000257275943 568797321 /nfs/dbraw/zinc/79/73/21/568797321.db2.gz NRQAXXFGDGEDTN-QHCPKHFHSA-N 1 0 413.566 2.982 40 0 HFABRO Cc1cc(Nc2ccccn2)cc(C2CCN(S(=O)(=O)c3cn(C)cn3)CC2)[nH+]1 ZINC000257337831 568815340 /nfs/dbraw/zinc/81/53/40/568815340.db2.gz YUOYWTKPDRBABO-UHFFFAOYSA-N 1 0 412.519 2.830 40 0 HFABRO COc1ccc(NC(=O)c2nnc3n2C[C@H]2C[N@@H+](Cc4cccc(F)c4)C[C@@H]2C3)cc1 ZINC000306124183 568887264 /nfs/dbraw/zinc/88/72/64/568887264.db2.gz BIQKRLOSIWIFIY-DLBZAZTESA-N 1 0 421.476 2.982 40 0 HFABRO O=c1c(-c2ccccc2)nnc2n1CC[C@@]21CC[N@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000306129032 568891602 /nfs/dbraw/zinc/89/16/02/568891602.db2.gz HRXMZVZVIGNGHZ-HSZRJFAPSA-N 1 0 402.454 2.581 40 0 HFABRO O=C(c1ccccc1)N1CCc2nc3n(c(=O)c2C1)CC1(C3)CC[NH+](C2CCC2)CC1 ZINC000306129621 568891963 /nfs/dbraw/zinc/89/19/63/568891963.db2.gz IIJHVAOZCUPCJO-UHFFFAOYSA-N 1 0 418.541 2.633 40 0 HFABRO O=C1N(Cc2ccccc2)CCO[C@@]12C[N@H+](Cc1cccnc1)C[C@H]2c1cccnc1 ZINC000306130359 568892700 /nfs/dbraw/zinc/89/27/00/568892700.db2.gz JDKBTWHNXDXAHP-UKILVPOCSA-N 1 0 414.509 2.874 40 0 HFABRO CC(C)n1cc(C[N@H+]2C[C@@H]3Cc4nnc(C(=O)Nc5ccccc5)n4C[C@H]3C2)cn1 ZINC000306131594 568893979 /nfs/dbraw/zinc/89/39/79/568893979.db2.gz KJJYIUYJPPTEJW-ZWKOTPCHSA-N 1 0 405.506 2.612 40 0 HFABRO O=C(Nc1ccccc1)c1nnc2n1C[C@H]1C[N@@H+](Cc3ccc4c(c3)OCO4)C[C@@H]1C2 ZINC000306136339 568898104 /nfs/dbraw/zinc/89/81/04/568898104.db2.gz PQMUAVORWZQSIC-DLBZAZTESA-N 1 0 417.469 2.563 40 0 HFABRO Cc1cccc(C[N@H+]2C[C@@H]3Cc4nnc(C(=O)Nc5cccc(F)c5)n4C[C@@H]3C2)n1 ZINC000306136808 568898742 /nfs/dbraw/zinc/89/87/42/568898742.db2.gz QDYQFGBNTAUZCX-HOTGVXAUSA-N 1 0 406.465 2.677 40 0 HFABRO COCCN1CC[C@]2(C[N@H+](Cc3cccs3)C[C@H]2c2cn(C(C)C)cn2)C1=O ZINC000306137147 568899187 /nfs/dbraw/zinc/89/91/87/568899187.db2.gz QMQXVXDYDKHLOA-GHTZIAJQSA-N 1 0 402.564 2.990 40 0 HFABRO COCCN1C[C@]2(CC[N@H+](Cc3ccc(C)s3)C2)Oc2ccccc2S1(=O)=O ZINC000306144016 568905403 /nfs/dbraw/zinc/90/54/03/568905403.db2.gz YTLNYUDMBXKTHO-HXUWFJFHSA-N 1 0 422.572 2.731 40 0 HFABRO Cc1nnc(CCC(=O)N2CCO[C@@]3(CCCC[C@H]3[NH2+]Cc3cccnc3)C2)s1 ZINC000306144492 568905893 /nfs/dbraw/zinc/90/58/93/568905893.db2.gz ZGNOAGAZCVTYKD-NQIIRXRSSA-N 1 0 415.563 2.504 40 0 HFABRO CC(C)(C)OC(=O)N[C@@]1(C[NH3+])[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218037134 568924643 /nfs/dbraw/zinc/92/46/43/568924643.db2.gz CYPPSCAOSORZEQ-WFXMLNOXSA-N 1 0 402.516 2.849 40 0 HFABRO CCOC(=O)[C@@]1(C[NH3+])[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218118866 568926051 /nfs/dbraw/zinc/92/60/51/568926051.db2.gz FBULYROZECUSEK-HBFSDRIKSA-N 1 0 423.918 2.797 40 0 HFABRO [NH3+][C@]1(CO)[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218241609 568928638 /nfs/dbraw/zinc/92/86/38/568928638.db2.gz CJEHKWYEIGCAAD-OWCLPIDISA-N 1 0 416.724 2.732 40 0 HFABRO CCCCC[NH+](CCCCC)C[C@H](C)NC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000006264157 568936551 /nfs/dbraw/zinc/93/65/51/568936551.db2.gz HZXAIIPJCQPNOW-SFHVURJKSA-N 1 0 403.633 2.845 40 0 HFABRO CCOC(=O)[C@]1(C[NH3+])[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218655400 568942803 /nfs/dbraw/zinc/94/28/03/568942803.db2.gz VYIBRQWTSZPVGD-JENIJYKNSA-N 1 0 411.882 2.927 40 0 HFABRO COc1ccc(-c2cn(C[C@H]3C[C@@H]4CC[N@@H+]3C[C@@H]4C(=O)NCc3ccco3)nn2)cc1 ZINC000008297615 568988068 /nfs/dbraw/zinc/98/80/68/568988068.db2.gz CIPMOXHUHKCKLW-UEXGIBASSA-N 1 0 421.501 2.574 40 0 biogenic,in-vitro HFABRO O=C(c1ccc(Cl)cc1Cl)N1CCN(c2cn[nH+]c(N3CCOCC3)c2)CC1 ZINC000224328812 569057386 /nfs/dbraw/zinc/05/73/86/569057386.db2.gz CHAHMCUJXHNJLF-UHFFFAOYSA-N 1 0 422.316 2.582 40 0 HFABRO COc1ccc(Cn2nnnc2[C@@H](c2ccc(C)cc2)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000245227900 569313687 /nfs/dbraw/zinc/31/36/87/569313687.db2.gz YDHNHBFVZHYVEZ-JTHBVZDNSA-N 1 0 418.545 2.908 40 0 HFABRO COc1ccc2c(c1)CN(C(C)=O)C[C@H]([C@H]1CCC[N@H+](Cc3cnc(C)nc3)C1)O2 ZINC000012235379 569344789 /nfs/dbraw/zinc/34/47/89/569344789.db2.gz FHTPZEHCBQTDKZ-WMZHIEFXSA-N 1 0 410.518 2.815 40 0 HFABRO O=C(C[N@@H+]1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000019292028 569345377 /nfs/dbraw/zinc/34/53/77/569345377.db2.gz ROOULFYYWGUYBD-ZJOUEHCJSA-N 1 0 412.578 2.940 40 0 HFABRO CC(=O)N1C[C@H](C(=O)N(Cc2ccccn2)C2CC2)[C@@H](c2ccc(C[NH+](C)C)cc2)C1 ZINC000019699206 569347000 /nfs/dbraw/zinc/34/70/00/569347000.db2.gz JTOZZGIIDMSBHG-RPWUZVMVSA-N 1 0 420.557 2.896 40 0 HFABRO CC(C)C[NH+]1CCC2(CC1)NC(=O)N(C1CCN(C(=O)C3CCCCC3)CC1)C2=O ZINC000019701354 569347266 /nfs/dbraw/zinc/34/72/66/569347266.db2.gz VUEGAWSGXBKZMS-UHFFFAOYSA-N 1 0 418.582 2.600 40 0 HFABRO Cn1cnc(S(=O)(=O)N2CCCCC[C@@H]3[NH2+][C@H](Cc4ccccc4)C[C@@]32C)c1 ZINC000019713487 569348418 /nfs/dbraw/zinc/34/84/18/569348418.db2.gz SJUCLFWMZUWJBE-DYXWJJEUSA-N 1 0 402.564 2.717 40 0 HFABRO COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(C)n(-c4cc[nH+]cc4)c3C)C2=O)o1 ZINC000033739196 569351228 /nfs/dbraw/zinc/35/12/28/569351228.db2.gz KEIMRTSEJLTOAC-WQRHYEAKSA-N 1 0 420.425 2.962 40 0 HFABRO CC(=O)c1ccc(NC(=O)NC[C@H]2C[C@@H]3CCN2C[C@@H]3C[NH+]2CCSCC2)cc1 ZINC000020503872 291216303 /nfs/dbraw/zinc/21/63/03/291216303.db2.gz RAZCTPDVCIYQFH-IRFCIJBXSA-N 1 0 416.591 2.770 40 0 biogenic,in-vitro HFABRO C[NH+](C)CCOc1ccc(NC(=O)C2(C3(C(=O)N4CCCCC4)CC3)CC2)cn1 ZINC000225926836 521798719 /nfs/dbraw/zinc/79/87/19/521798719.db2.gz HCBMPENLOKGKAU-UHFFFAOYSA-N 1 0 400.523 2.533 40 0 HFABRO CC(=O)Nc1ccc(N2C(=O)C[C@H]([NH2+]CCc3c[nH]c4ccc(C)cc34)C2=O)cc1 ZINC000005274575 557643012 /nfs/dbraw/zinc/64/30/12/557643012.db2.gz MZVAEYZIOLYJRB-NRFANRHFSA-N 1 0 404.470 2.899 40 0 HFABRO Cc1cc(S(=O)(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)ccc1N1CCCC1=O ZINC000019931377 558310313 /nfs/dbraw/zinc/31/03/13/558310313.db2.gz VZWZRFNDKCLOAM-IAGOWNOFSA-N 1 0 407.580 2.768 40 0 HFABRO Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC3CC[NH+](C)CC3)ccc2C)cc1 ZINC000023421779 558557877 /nfs/dbraw/zinc/55/78/77/558557877.db2.gz VFPBOFNQHUVNHS-UHFFFAOYSA-N 1 0 401.532 2.928 40 0 HFABRO O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)NCCC[NH+]1CCCCC1 ZINC000013668786 558560752 /nfs/dbraw/zinc/56/07/52/558560752.db2.gz GJSVSPODAQTEBW-UHFFFAOYSA-N 1 0 415.559 2.874 40 0 HFABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+](C)C)c2ccccc2C)cc1 ZINC000013673320 558563385 /nfs/dbraw/zinc/56/33/85/558563385.db2.gz DNUZLZACUPINNU-UHFFFAOYSA-N 1 0 403.548 2.567 40 0 HFABRO Cc1cc(C)n2ncc(C[N@@H+]3C[C@@H](c4ccccn4)[C@]4(C3)CCCCC(=O)N4)c2n1 ZINC000019116591 558842127 /nfs/dbraw/zinc/84/21/27/558842127.db2.gz YZSRPVCPQIZQOE-WMZHIEFXSA-N 1 0 404.518 2.770 40 0 HFABRO Cc1ccc(OCC[N@H+]2C[C@H](C(=O)N(C)C)[C@@]3(C2)COc2ccccc2C3=O)cc1 ZINC000019211085 558848287 /nfs/dbraw/zinc/84/82/87/558848287.db2.gz WEPBOTSDOVZZBJ-HYBUGGRVSA-N 1 0 408.498 2.656 40 0 HFABRO Cc1ccn(CCC(=O)NC2CC[NH+](Cc3cc(-c4ccccc4F)nn3C)CC2)n1 ZINC000019238101 558857180 /nfs/dbraw/zinc/85/71/80/558857180.db2.gz DSOIJQKNZKBENW-UHFFFAOYSA-N 1 0 424.524 2.902 40 0 HFABRO Cn1nc(-c2cccnc2)cc1C[NH+]1CCC(NC(=O)Cc2ccc(F)cc2)CC1 ZINC000019288978 558861755 /nfs/dbraw/zinc/86/17/55/558861755.db2.gz UUSPVRGQEIUZKB-UHFFFAOYSA-N 1 0 407.493 2.945 40 0 HFABRO O=C(c1cccc(F)c1)N1CC[C@H](c2nc3c(c(=O)[nH]2)C[N@@H+](C2CCCC2)CC3)C1 ZINC000019293507 558865207 /nfs/dbraw/zinc/86/52/07/558865207.db2.gz BGINVEPEYSJTCH-INIZCTEOSA-N 1 0 410.493 2.839 40 0 HFABRO Fc1cccc([C@@H](c2nnnn2CCc2ccccc2)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000019371434 558879245 /nfs/dbraw/zinc/87/92/45/558879245.db2.gz ZCBOEVSHBCJLLB-YADHBBJMSA-N 1 0 406.509 2.924 40 0 HFABRO CCS(=O)(=O)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](Cc1sccc1C)CC2 ZINC000019520323 558901293 /nfs/dbraw/zinc/90/12/93/558901293.db2.gz XIZJWASBQWPCHO-MRXNPFEDSA-N 1 0 422.576 2.597 40 0 HFABRO CCn1cc(C(=O)N2CC[C@@H](c3nc4c(c(=O)[nH]3)CC[N@@H+](C3CCCCC3)C4)C2)cn1 ZINC000019524857 558906018 /nfs/dbraw/zinc/90/60/18/558906018.db2.gz GLKDNCOHXIMQKZ-MRXNPFEDSA-N 1 0 424.549 2.719 40 0 HFABRO Cc1ncncc1C(=O)NC1CC[NH+](Cc2cc(-c3ccc(F)cc3)nn2C)CC1 ZINC000019553019 558916141 /nfs/dbraw/zinc/91/61/41/558916141.db2.gz HDLMDGHVCVTQQR-UHFFFAOYSA-N 1 0 408.481 2.719 40 0 HFABRO COc1ccc(C[N@@H+]2CCc3nc([C@@H]4CCCN4C(=O)C4CC4)[nH]c(=O)c3C2)cc1 ZINC000019555490 558918284 /nfs/dbraw/zinc/91/82/84/558918284.db2.gz LTYCBBZAWBDMNY-FQEVSTJZSA-N 1 0 408.502 2.823 40 0 HFABRO CCN(CC)C(=O)[C@H]1C[N@H+](Cc2ccncc2C)C[C@@]12CCc1ccccc1C(=O)N2 ZINC000072334371 558935307 /nfs/dbraw/zinc/93/53/07/558935307.db2.gz OMUFFSVSHWWILR-RDGATRHJSA-N 1 0 420.557 2.805 40 0 HFABRO c1coc(C[NH+]2CCC(c3nc(N4CCOCC4)ncc3-c3cnccn3)CC2)c1 ZINC000072337040 558937657 /nfs/dbraw/zinc/93/76/57/558937657.db2.gz KKHZULLEIRSDPO-UHFFFAOYSA-N 1 0 406.490 2.743 40 0 HFABRO C[NH+]1CCN(c2cc(C(=O)NCCc3nc(-c4ccccc4)cs3)ccn2)CC1 ZINC000019590089 558940533 /nfs/dbraw/zinc/94/05/33/558940533.db2.gz SYLSVMQJDHCFPE-UHFFFAOYSA-N 1 0 407.543 2.929 40 0 HFABRO COc1ncc([C@]2(O)CCC[C@H]3C[N@H+](Cc4ccc(F)cc4F)C[C@@H]32)c(OC)n1 ZINC000072343010 558940645 /nfs/dbraw/zinc/94/06/45/558940645.db2.gz SFHFTUGTFJFNDS-IBNJYYFUSA-N 1 0 405.445 2.892 40 0 HFABRO CC(=O)N[C@@H]1CCc2ccc(S(=O)(=O)NCCC3CC[NH+](C(C)C)CC3)cc21 ZINC000072345831 558942201 /nfs/dbraw/zinc/94/22/01/558942201.db2.gz NMYLQGULKPLTCO-OAQYLSRUSA-N 1 0 407.580 2.599 40 0 HFABRO COc1cccc(C[N@@H+]2CCC[C@H]2C(=O)N2CCCN(Cc3ccccn3)CC2)c1 ZINC000019661196 558952320 /nfs/dbraw/zinc/95/23/20/558952320.db2.gz JEYLWPYHZJQDPV-QHCPKHFHSA-N 1 0 408.546 2.789 40 0 HFABRO COc1ccccc1CN(C(=O)c1cc(C(C)C)c2nncn2n1)C1CC[NH+](C)CC1 ZINC000019662929 558953801 /nfs/dbraw/zinc/95/38/01/558953801.db2.gz GIFNHWIIEDNMNU-UHFFFAOYSA-N 1 0 422.533 2.993 40 0 HFABRO Cc1nonc1CNC(=O)C1(Cc2cccc([C@H]3CCC[N@@H+](C)C3)c2)CCOCC1 ZINC000072372238 558959484 /nfs/dbraw/zinc/95/94/84/558959484.db2.gz XGKVJLDKSLDIHP-FQEVSTJZSA-N 1 0 412.534 2.843 40 0 HFABRO COCCOc1cc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2nccn2C)ccc1OC ZINC000072389858 558970239 /nfs/dbraw/zinc/97/02/39/558970239.db2.gz SOBKBPRAGYPKBW-LIMIJEPZSA-N 1 0 415.534 2.574 40 0 HFABRO COc1cc(C[N@@H+]2CCC[C@H](c3nnc(-c4cnccn4)o3)C2)cc(OC)c1OC ZINC000072390055 558970313 /nfs/dbraw/zinc/97/03/13/558970313.db2.gz XYJTYJVZCMAXJG-HNNXBMFYSA-N 1 0 411.462 2.932 40 0 HFABRO CNc1nc([C@H]2CCC[N@H+](C)C2)nc2c1CN(C(=O)Cc1c[nH]c3ccccc13)CC2 ZINC000019710306 558972097 /nfs/dbraw/zinc/97/20/97/558972097.db2.gz RCJNONMIHALVLK-INIZCTEOSA-N 1 0 418.545 2.936 40 0 HFABRO COc1ccc2[nH]c(C[N@H+]3[C@@H]4CC[C@H]3CC(O)(Cn3nc(C)ccc3=O)C4)c(C)c2c1 ZINC000072394806 558973808 /nfs/dbraw/zinc/97/38/08/558973808.db2.gz RCVBHQRESFXNRI-QLCVBSLISA-N 1 0 422.529 2.908 40 0 HFABRO Cc1nc(N2CCC(C)CC2)ncc1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000019714727 558975025 /nfs/dbraw/zinc/97/50/25/558975025.db2.gz RXCKMPIXVHJXBT-UHFFFAOYSA-N 1 0 408.550 2.811 40 0 HFABRO Cc1cc(C(=O)Nc2cccc(C[N@H+]3CCCC[C@H]3C)c2)c2c(=O)[nH]c(=O)n(C)c2n1 ZINC000019716349 558978100 /nfs/dbraw/zinc/97/81/00/558978100.db2.gz JTTCKFIYNWLQMI-OAHLLOKOSA-N 1 0 421.501 2.557 40 0 HFABRO CCn1nc([C@H](C)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)c2ccccc2c1=O ZINC000019716945 558979188 /nfs/dbraw/zinc/97/91/88/558979188.db2.gz JHWMXRSWXLDJQC-KRWDZBQOSA-N 1 0 419.529 2.696 40 0 HFABRO C[N@@H+]1C[C@@H](COCc2cccnc2)[C@]2(CCN(C(=O)Cc3cccc(F)c3F)C2)C1 ZINC000585102580 559026253 /nfs/dbraw/zinc/02/62/53/559026253.db2.gz AGZRTZFLTDPFAB-WMZHIEFXSA-N 1 0 415.484 2.899 40 0 HFABRO C[N@H+](C[C@@H]1CC2(CO1)CCN(C(=O)CCc1cccnc1)CC2)[C@H]1CC[C@H](O)CC1 ZINC000585104586 559027246 /nfs/dbraw/zinc/02/72/46/559027246.db2.gz QTXCENXIZPDXQH-FKBYEOEOSA-N 1 0 415.578 2.647 40 0 HFABRO CC(C)CC[N@@H+]1C[C@H]2C(=O)NC3(CCN(c4cc(C(F)(F)F)ncn4)CC3)[C@@H]2C1 ZINC000585106065 559028236 /nfs/dbraw/zinc/02/82/36/559028236.db2.gz ITPJSZSTEHLFDK-HUUCEWRRSA-N 1 0 411.472 2.558 40 0 HFABRO COc1cc(Cl)ccc1C(=O)N1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](CC(C)C)C[C@@H]12 ZINC000585106083 559028449 /nfs/dbraw/zinc/02/84/49/559028449.db2.gz KDWWZMGMGOPALD-MSOLQXFVSA-N 1 0 419.953 2.657 40 0 HFABRO O=C(Cc1ccc(F)cc1)N1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000585106228 559028515 /nfs/dbraw/zinc/02/85/15/559028515.db2.gz GLZSDVLZEYBTGA-YADHBBJMSA-N 1 0 421.516 2.607 40 0 HFABRO COc1ccc2c(c1OC)C(=O)CO[C@H]2[C@@H]1[NH2+]CCc2cc3c(c(OC)c21)OCO3 ZINC000095470477 559081143 /nfs/dbraw/zinc/08/11/43/559081143.db2.gz VYZHNAJGVHAHLI-RTBURBONSA-N 1 0 413.426 2.582 40 0 HFABRO CS(=O)(=O)N1CCn2c(-c3ccccc3)cnc2C12CC[NH+](CC1CC1)CC2 ZINC000096036928 559090727 /nfs/dbraw/zinc/09/07/27/559090727.db2.gz BXMDFFKLZORSTK-UHFFFAOYSA-N 1 0 400.548 2.526 40 0 HFABRO C[NH+](C)CCCNC(=O)c1nc(-c2cn(Cc3ccccc3)cn2)n2ccccc12 ZINC000096037952 559091634 /nfs/dbraw/zinc/09/16/34/559091634.db2.gz MXCLZLYBINBRKC-UHFFFAOYSA-N 1 0 402.502 2.928 40 0 HFABRO CCN1CC[C@@]2(C[N@H+](CC(C)C)CC23CCN(C(=O)c2cncc(C)c2)CC3)C1=O ZINC000096144312 559096665 /nfs/dbraw/zinc/09/66/65/559096665.db2.gz KBGMINLWRNJKJB-XMMPIXPASA-N 1 0 412.578 2.823 40 0 HFABRO O=C(Nc1cccnc1)[C@@H]1Cn2ccnc2C2(CC[NH+](Cc3ccccc3)CC2)O1 ZINC000096144684 559096857 /nfs/dbraw/zinc/09/68/57/559096857.db2.gz FNFBKVYSYRIWRZ-FQEVSTJZSA-N 1 0 403.486 2.807 40 0 HFABRO COc1cccc(C(=O)N[C@@H]2C[C@@H](Oc3ccccc3)[C@H](O)[C@H]2[NH+]2CCCCC2)c1 ZINC000585262181 559110493 /nfs/dbraw/zinc/11/04/93/559110493.db2.gz MLGGFMWOCKTFLA-LUKWVAJMSA-N 1 0 410.514 2.860 40 0 HFABRO C[N@@H+](Cc1ccc(OCCN2CCOCC2)cc1)C[C@H](O)COC1CCCCC1 ZINC000585262555 559111099 /nfs/dbraw/zinc/11/10/99/559111099.db2.gz SWCBPTTZDBTUHT-NRFANRHFSA-N 1 0 406.567 2.540 40 0 HFABRO Cc1cc(N2CC[C@](O)(C[N@H+](C)Cc3ccc(OCc4ccccn4)cc3)C2)ncn1 ZINC000585269643 559115791 /nfs/dbraw/zinc/11/57/91/559115791.db2.gz FUJFIAWEBPXTPM-DEOSSOPVSA-N 1 0 419.529 2.832 40 0 HFABRO O=C(c1ccc(Cl)cc1)N1CC[C@H](O)[C@@](O)(C[NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000585283844 559120822 /nfs/dbraw/zinc/12/08/22/559120822.db2.gz IBZQSPKPEBNRFU-FUHWJXTLSA-N 1 0 420.859 2.552 40 0 HFABRO CC(=O)N1CC[N@H+](CC2(O)CCCCCC2)C[C@@](O)(COc2ccc(C)c(C)c2)C1 ZINC000585284571 559121162 /nfs/dbraw/zinc/12/11/62/559121162.db2.gz YJJSXVJQCCKBTE-DEOSSOPVSA-N 1 0 418.578 2.663 40 0 HFABRO CC(=O)N(C)[C@H]1CCOC2(CC[NH+]([C@H]3CCC[C@@H](Oc4ccccc4)[C@@H]3O)CC2)C1 ZINC000585289999 559122617 /nfs/dbraw/zinc/12/26/17/559122617.db2.gz YVEHHSPLWDWGBA-KZKAQZJJSA-N 1 0 416.562 2.839 40 0 HFABRO COc1cccc(OC[C@H](O)C[N@H+](C)Cc2ccc(OCc3nccn3C)cc2)c1 ZINC000257206826 559282424 /nfs/dbraw/zinc/28/24/24/559282424.db2.gz BFALIRLPTAVUNV-LJQANCHMSA-N 1 0 411.502 2.879 40 0 HFABRO COc1cccc(OC[C@@H](O)C[N@H+](C)Cc2ccc(OCc3nccn3C)cc2)c1 ZINC000257206825 559282442 /nfs/dbraw/zinc/28/24/42/559282442.db2.gz BFALIRLPTAVUNV-IBGZPJMESA-N 1 0 411.502 2.879 40 0 HFABRO Cc1nc(COC[C@@H]2CC[N@@H+](C)C3(CN(C(=O)c4cccc(O)c4)C3)C2)cs1 ZINC000575403135 560546895 /nfs/dbraw/zinc/54/68/95/560546895.db2.gz IWNDKTVUSYTOKE-MRXNPFEDSA-N 1 0 401.532 2.910 40 0 HFABRO CCNC(=S)N(CCC[NH+](CC)CC)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000004162022 560602149 /nfs/dbraw/zinc/60/21/49/560602149.db2.gz QVFZEMZKPODJDK-UHFFFAOYSA-N 1 0 404.580 2.965 40 0 HFABRO CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)NCCC[NH+]2CCCC2)cc1 ZINC000010450097 560769779 /nfs/dbraw/zinc/76/97/79/560769779.db2.gz WUZCKFYHQKOZHX-UHFFFAOYSA-N 1 0 415.559 2.869 40 0 HFABRO C[C@@H](C(=O)NCCC[NH+]1CCC(C)CC1)N1c2cccc3cccc(c23)S1(=O)=O ZINC000010540850 560769835 /nfs/dbraw/zinc/76/98/35/560769835.db2.gz BFFOCPODVJSJGW-KRWDZBQOSA-N 1 0 415.559 2.975 40 0 HFABRO CC[C@@H](C)[C@H]1[NH2+][C@@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000015959309 560857749 /nfs/dbraw/zinc/85/77/49/560857749.db2.gz IBXANRPQRNBPCR-ZKSZURHHSA-N 1 0 403.482 2.653 40 0 HFABRO COc1c(Br)cc(Br)cc1C[NH2+]CCN1CCOCC1 ZINC000022074769 568473986 /nfs/dbraw/zinc/47/39/86/568473986.db2.gz BUNNYJACSIIQLU-UHFFFAOYSA-N 1 0 408.134 2.642 40 0 HFABRO C[NH+](C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1Cc1ccccn1 ZINC000223282320 568544059 /nfs/dbraw/zinc/54/40/59/568544059.db2.gz KPGPVCCEGKKEAP-NHCUHLMSSA-N 1 0 406.559 2.861 40 0 HFABRO O=C(C1CC1)N1CCc2cc(S(=O)(=O)NCCC[NH+]3CCCCCC3)ccc21 ZINC000224067289 568568393 /nfs/dbraw/zinc/56/83/93/568568393.db2.gz ULKUXPUAIBKIKF-UHFFFAOYSA-N 1 0 405.564 2.530 40 0 HFABRO CN(Cc1ccc(C(=O)NCCC[NH+](C)C)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224434213 568581184 /nfs/dbraw/zinc/58/11/84/568581184.db2.gz CAQVQEBFVPHIBE-UHFFFAOYSA-N 1 0 423.966 2.842 40 0 HFABRO CN(c1ccccc1C(=O)NCc1cccc(C[NH+]2CCCCC2)c1)S(C)(=O)=O ZINC000224660289 568591167 /nfs/dbraw/zinc/59/11/67/568591167.db2.gz YEODWFCIWPGQMO-UHFFFAOYSA-N 1 0 415.559 2.998 40 0 HFABRO Cc1c(C(=O)NCc2ccccc2C[NH+]2CCCC2)cccc1N(C)S(C)(=O)=O ZINC000224798925 568597257 /nfs/dbraw/zinc/59/72/57/568597257.db2.gz BKSLAHRPIUPANP-UHFFFAOYSA-N 1 0 415.559 2.917 40 0 HFABRO COc1cc(NC(=S)N2CC[NH+](C3CCSCC3)CC2)cc(OC)c1OC ZINC000225216143 568623774 /nfs/dbraw/zinc/62/37/74/568623774.db2.gz FSGDNCQBZJTXET-UHFFFAOYSA-N 1 0 411.593 2.922 40 0 HFABRO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCC[N@H+]3CCC[C@@H](C)C3)C2)cc1 ZINC000225526899 568647341 /nfs/dbraw/zinc/64/73/41/568647341.db2.gz WDVNESVKTCJJQQ-WOJBJXKFSA-N 1 0 421.607 2.634 40 0 HFABRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=S)Nc2cccc(N(C)S(C)(=O)=O)c2)C1 ZINC000260732733 568736941 /nfs/dbraw/zinc/73/69/41/568736941.db2.gz ANTFYGXCAABPRG-HOTGVXAUSA-N 1 0 412.625 2.737 40 0 HFABRO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCC[N@H+]3CCC[C@@H](C)C3)C2)cc1 ZINC000260908011 568743969 /nfs/dbraw/zinc/74/39/69/568743969.db2.gz WDVNESVKTCJJQQ-UXHICEINSA-N 1 0 421.607 2.634 40 0 HFABRO Cc1ccnc(C[N@@H+]2CC[C@]3(C2)COCc2cnc(NCC4CCOCC4)nc23)c1 ZINC000247924741 568746021 /nfs/dbraw/zinc/74/60/21/568746021.db2.gz OYTFHVVQSBUCNU-QHCPKHFHSA-N 1 0 409.534 2.692 40 0 HFABRO O=C(c1n[nH]c2c1CCCC2)N1CCC[C@@](O)(C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000257214987 568780322 /nfs/dbraw/zinc/78/03/22/568780322.db2.gz COEXDCLYQCYQCG-DEOSSOPVSA-N 1 0 408.546 2.704 40 0 HFABRO Cc1nn(C)cc1S(=O)(=O)N1[C@@H]2CCC[C@@H]3[NH2+][C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257222459 568782737 /nfs/dbraw/zinc/78/27/37/568782737.db2.gz DTJWZNYLQIUZEG-UMBQZNGKSA-N 1 0 414.575 2.633 40 0 HFABRO CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@@H]1CCCN(C(=O)C[NH+]2CCCCC2)C1 ZINC000257240388 568787643 /nfs/dbraw/zinc/78/76/43/568787643.db2.gz HTEVZNCJYQZSKP-HXUWFJFHSA-N 1 0 423.561 2.874 40 0 HFABRO CC1CC[NH+](CC(=O)N2CCC[C@@](COc3cccc(Cl)c3)(CC(N)=O)C2)CC1 ZINC000257241879 568788079 /nfs/dbraw/zinc/78/80/79/568788079.db2.gz IABAWYAVFKNZFP-JOCHJYFZSA-N 1 0 421.969 2.935 40 0 HFABRO Cn1nc(C(=O)N2CCCCC[C@@H]3[N@H+](C)[C@H](Cc4ccccc4)C[C@@]32C)ccc1=O ZINC000257252183 568790901 /nfs/dbraw/zinc/79/09/01/568790901.db2.gz JTVJPCBYHIQBGN-IZIIKQMZSA-N 1 0 408.546 2.871 40 0 HFABRO COc1ccc(C[N@H+](C)C[C@]2(O)CCCN(C(=O)CC3(O)CCCCC3)CC2)cc1 ZINC000257329792 568812967 /nfs/dbraw/zinc/81/29/67/568812967.db2.gz XLOHRFBLJFGGAD-DEOSSOPVSA-N 1 0 418.578 2.956 40 0 HFABRO Cc1nc2cc(C(=O)N3CCC[C@@](C)(C(=O)NCC4CC[NH+](C)CC4)C3)ccc2[nH]1 ZINC000257337422 568815238 /nfs/dbraw/zinc/81/52/38/568815238.db2.gz YSRZMOLFXDZTKS-HSZRJFAPSA-N 1 0 411.550 2.572 40 0 HFABRO C[N@@H+]1CC[C@@H](COCc2cccnc2)CC12CN(C(=O)c1ccc3c(c1)COC3)C2 ZINC000306123713 568886804 /nfs/dbraw/zinc/88/68/04/568886804.db2.gz AUMPLFCLXHOHPA-GOSISDBHSA-N 1 0 407.514 2.865 40 0 HFABRO C[N@@H+]1CC[C@H](COCc2cccnc2)CC12CN(C(=O)c1ccc3c(c1)COC3)C2 ZINC000306123714 568886900 /nfs/dbraw/zinc/88/69/00/568886900.db2.gz AUMPLFCLXHOHPA-SFHVURJKSA-N 1 0 407.514 2.865 40 0 HFABRO COc1ccc(C[NH+]2CCC3(CCc4nnc(C(=O)NCC5CC5)n4C3)CC2)cc1 ZINC000306126012 568888490 /nfs/dbraw/zinc/88/84/90/568888490.db2.gz DJIPYDDECBLLAX-UHFFFAOYSA-N 1 0 409.534 2.655 40 0 HFABRO Cc1ccc(C[N@H+]2C[C@@H]3Cc4nnc(C(=O)NCc5ccccc5)n4C[C@H]3C2)s1 ZINC000306126273 568888789 /nfs/dbraw/zinc/88/87/89/568888789.db2.gz DRDZGKMFGMDDLF-ZWKOTPCHSA-N 1 0 407.543 2.882 40 0 HFABRO COC(=O)N1Cc2nnc(-c3cccnc3)n2C2(CC[NH+](Cc3ccco3)CC2)C1 ZINC000306127997 568890646 /nfs/dbraw/zinc/89/06/46/568890646.db2.gz GNKAFERZVBUPMX-UHFFFAOYSA-N 1 0 408.462 2.506 40 0 HFABRO COCC(=O)N1CCC2(CC1)Oc1ccccc1-c1c2cnn1C1CC[NH+](C)CC1 ZINC000306132337 568894702 /nfs/dbraw/zinc/89/47/02/568894702.db2.gz LFOVOOWFSSTSJB-UHFFFAOYSA-N 1 0 410.518 2.673 40 0 HFABRO CC[NH+](CC)CCNC(=O)c1nc(-c2ccnn2-c2ccc(C)cc2)n2ccncc12 ZINC000306135731 568897763 /nfs/dbraw/zinc/89/77/63/568897763.db2.gz OZGITVGQPXHYJF-UHFFFAOYSA-N 1 0 417.517 2.962 40 0 HFABRO Cc1ccsc1C[N@H+]1C[C@@H]2Cc3nnc(C(=O)NCc4ccccc4)n3C[C@@H]2C1 ZINC000306136596 568898390 /nfs/dbraw/zinc/89/83/90/568898390.db2.gz PXTKDMPSOKCXEW-ROUUACIJSA-N 1 0 407.543 2.882 40 0 HFABRO Cc1ccsc1C[N@H+]1C[C@@H]2Cc3nnc(C(=O)NCc4ccccc4)n3C[C@H]2C1 ZINC000306136597 568898445 /nfs/dbraw/zinc/89/84/45/568898445.db2.gz PXTKDMPSOKCXEW-ZWKOTPCHSA-N 1 0 407.543 2.882 40 0 HFABRO COc1ccc(-c2nnc3n(c2=O)CC[C@@]32CC[N@H+](Cc3cccc(C)n3)C2)cc1 ZINC000306137066 568898995 /nfs/dbraw/zinc/89/89/95/568898995.db2.gz QKSMOHAJJDKOOI-HSZRJFAPSA-N 1 0 403.486 2.565 40 0 HFABRO CC[C@@H](C)NC(=O)c1nnc2n1CC1(CC[NH+](Cc3ccsc3)CC1)COC2 ZINC000306142529 568903919 /nfs/dbraw/zinc/90/39/19/568903919.db2.gz XCENQZNZHIHDIH-OAHLLOKOSA-N 1 0 403.552 2.681 40 0 HFABRO COc1ccc(CN2CCO[C@]3(C[N@H+](CC4CC4)C[C@@H]3c3cccnc3)C2=O)cc1 ZINC000306144273 568905574 /nfs/dbraw/zinc/90/55/74/568905574.db2.gz ZAUYUNSRSGWILJ-VWNXMTODSA-N 1 0 407.514 2.697 40 0 HFABRO Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc(Br)cc3)[C@@]2(C[NH3+])CO)cc1 ZINC000218227634 568928421 /nfs/dbraw/zinc/92/84/21/568928421.db2.gz GFDFATLUFGQKDN-RCCFBDPRSA-N 1 0 410.333 2.635 40 0 HFABRO Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccc(Br)cc3)[C@@]2(C[NH3+])CO)cc1 ZINC000218227565 568928436 /nfs/dbraw/zinc/92/84/36/568928436.db2.gz GFDFATLUFGQKDN-FGTMMUONSA-N 1 0 410.333 2.635 40 0 HFABRO COc1cc(Nc2cc(-c3ccccn3)nc(NCCC[NH+](C)C)n2)cc(OC)c1 ZINC000328965680 568970151 /nfs/dbraw/zinc/97/01/51/568970151.db2.gz CFBRXJHYQKQRTQ-UHFFFAOYSA-N 1 0 408.506 2.507 40 0 HFABRO C[NH+](C)CCNc1nc(Nc2ccccc2Br)cc(C(F)(F)F)n1 ZINC000329013149 568972600 /nfs/dbraw/zinc/97/26/00/568972600.db2.gz MPGHAAMMLWIJFL-UHFFFAOYSA-N 1 0 404.234 2.819 40 0 HFABRO C[NH+](C)CCNc1nc(Nc2ccccc2Br)cc(-c2cccnc2)n1 ZINC000329031302 568973797 /nfs/dbraw/zinc/97/37/97/568973797.db2.gz QIIKSTRLUAHVJM-UHFFFAOYSA-N 1 0 413.323 2.862 40 0 HFABRO CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCSC)[NH2+][C@]21C(=O)Nc2ccc(Cl)cc21 ZINC000016022167 569026167 /nfs/dbraw/zinc/02/61/67/569026167.db2.gz QISVXPODGKNSJE-PGHPUMOWSA-N 1 0 421.950 2.612 40 0 HFABRO Cc1ccc([C@H](C)C(=O)N[C@H](C)C(=O)N2Cc3ccccc3OC[C@H]2C[NH+](C)C)cc1 ZINC000248125909 569316449 /nfs/dbraw/zinc/31/64/49/569316449.db2.gz OSWNHAWWXIFIKW-NNMXDRDESA-N 1 0 423.557 2.955 40 0 HFABRO C[NH2+]Cc1cc(C)nc(SC2=N[C@H](c3ccccc3)C(C(N)=O)=C(C)N2)c1C#N ZINC000033646464 569350827 /nfs/dbraw/zinc/35/08/27/569350827.db2.gz SFPDSHYDTZKSOU-GOSISDBHSA-N 1 0 406.515 2.533 40 0 HFABRO COC[C@]1(C[NH3+])[C@@H](c2ccc3c(c2)OCO3)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000252516815 569388054 /nfs/dbraw/zinc/38/80/54/569388054.db2.gz XBFJYMNVCOJWGZ-IPMKNSEASA-N 1 0 409.891 2.600 40 0 HFABRO C[NH2+]Cc1cc(N(C)C)nc([C@H]2CCCN2CC(=O)N(C(C)C)C2CCCCC2)n1 ZINC000019760885 569429650 /nfs/dbraw/zinc/42/96/50/569429650.db2.gz ICAFQJRKZLDMNZ-HXUWFJFHSA-N 1 0 416.614 2.969 40 0 HFABRO COC(=O)c1ccc(Nc2cc(-c3ccncc3)nc(NCCC[NH+](C)C)n2)cc1 ZINC000329000086 571306769 /nfs/dbraw/zinc/30/67/69/571306769.db2.gz JZAOOKCHWGBMEE-UHFFFAOYSA-N 1 0 406.490 3.432 40 0 HFABRO Cc1cc(Nc2nc(C3CCN(C(=O)C4([NH3+])CCCCC4)CC3)cn3cccc23)n[nH]1 ZINC000585263010 571307634 /nfs/dbraw/zinc/30/76/34/571307634.db2.gz HKTJXEQWAYJRKO-UHFFFAOYSA-N 1 0 421.549 3.477 40 0 HFABRO Nc1cccc(-c2cn(C[C@H]3C[C@H]4CC[N@@H+]3C[C@@H]4C(=O)Nc3ccccc3)nn2)c1 ZINC000008254279 291227854 /nfs/dbraw/zinc/22/78/54/291227854.db2.gz LSYVPABZQHGDMF-HBGVWJBISA-N 1 0 402.502 2.876 40 0 biogenic,in-vitro HFABRO COc1ccc(C[NH+]2CCC(CNC(=O)[C@H]3CCCN(c4ncccn4)C3)CC2)cc1 ZINC000012184098 132356186 /nfs/dbraw/zinc/35/61/86/132356186.db2.gz VNQCYEOKYUOMKX-NRFANRHFSA-N 1 0 423.561 2.730 40 0 HFABRO CC(=O)N[C@H]1CCc2ccc(S(=O)(=O)NCCC3CC[NH+](C(C)C)CC3)cc21 ZINC000072345832 519701251 /nfs/dbraw/zinc/70/12/51/519701251.db2.gz NMYLQGULKPLTCO-NRFANRHFSA-N 1 0 407.580 2.599 40 0 HFABRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1nn(C)c(NC(=O)c2ccccc2Cl)c1F ZINC000041070644 521657825 /nfs/dbraw/zinc/65/78/25/521657825.db2.gz WNTUSXSJYKZOTL-LBPRGKRZSA-N 1 0 407.877 2.679 40 0 HFABRO CN(c1ccccc1C(=O)NCc1ccccc1C[NH+]1CCCC1)S(C)(=O)=O ZINC000041838274 523655015 /nfs/dbraw/zinc/65/50/15/523655015.db2.gz WWBAAHWYDBOQJY-UHFFFAOYSA-N 1 0 401.532 2.608 40 0 HFABRO O=S1(=O)N[C@@H](C2CC[NH+](Cc3ccc4nccnc4c3)CC2)Nc2ccccc21 ZINC000072338940 527317052 /nfs/dbraw/zinc/31/70/52/527317052.db2.gz ZERUMEFPIUEQLP-NRFANRHFSA-N 1 0 409.515 2.572 40 0 HFABRO CN1c2ccccc2[C@]2(C1=O)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1[C@H]1CCCC[N@@H+]12 ZINC000100202086 557267837 /nfs/dbraw/zinc/26/78/37/557267837.db2.gz INAWKYYRGFLTDR-DBYOASNMSA-N 1 0 401.466 2.532 40 0 HFABRO CNc1nc([C@H]2CCCCN2S(=O)(=O)c2ccc(C)c(F)c2)nc2c1CC[NH2+]C2 ZINC000019754861 558273725 /nfs/dbraw/zinc/27/37/25/558273725.db2.gz HINNZSSVSFWHSR-GOSISDBHSA-N 1 0 419.526 2.527 40 0 HFABRO C[C@H]1C[N@H+](C)CC[C@@H]1CCc1ccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)cc1 ZINC000012131754 558333005 /nfs/dbraw/zinc/33/30/05/558333005.db2.gz AZIGQRWIAUJEEC-HKUYNNGSSA-N 1 0 421.607 2.817 40 0 HFABRO CC[C@H](CN1CC[NH+](C)CC1)NC(=O)Cc1csc(Nc2ccccc2F)n1 ZINC000022863857 558517864 /nfs/dbraw/zinc/51/78/64/558517864.db2.gz LYTYKTFMUCWBTJ-OAHLLOKOSA-N 1 0 405.543 2.711 40 0 HFABRO C[NH+](C)CCCNC(=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1 ZINC000013649033 558557674 /nfs/dbraw/zinc/55/76/74/558557674.db2.gz MNDNSHOGDRMVJX-UHFFFAOYSA-N 1 0 423.966 2.988 40 0 HFABRO Cc1ccc(N(CC(=O)NCCC[NH+](C)C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000013667890 558560195 /nfs/dbraw/zinc/56/01/95/558560195.db2.gz VUSCOOVQHGYRNY-UHFFFAOYSA-N 1 0 423.966 2.912 40 0 HFABRO C[NH+](C)CCNC(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000013670999 558562195 /nfs/dbraw/zinc/56/21/95/558562195.db2.gz KTRFXALOQFXAGG-UHFFFAOYSA-N 1 0 409.939 2.598 40 0 HFABRO CC(=O)N1CCc2cc(S(=O)(=O)NCc3cccc(C[NH+]4CCCC4)c3)ccc21 ZINC000026843185 558665565 /nfs/dbraw/zinc/66/55/65/558665565.db2.gz ZIIBISGLBCQKJD-UHFFFAOYSA-N 1 0 413.543 2.670 40 0 HFABRO CC(=O)N1CCc2cc(S(=O)(=O)NCc3ccccc3C[NH+]3CCCC3)ccc21 ZINC000031075502 558747887 /nfs/dbraw/zinc/74/78/87/558747887.db2.gz BNLQIZNXRPOWSL-UHFFFAOYSA-N 1 0 413.543 2.670 40 0 HFABRO O=C(C[N@@H+]1CCC[C@@H](Cc2nc3ccccc3[nH]2)C1)N1CC(=O)Nc2ccccc21 ZINC000036752843 558802980 /nfs/dbraw/zinc/80/29/80/558802980.db2.gz VPVUTAVNCJOMIO-INIZCTEOSA-N 1 0 403.486 2.803 40 0 HFABRO O=C(C[NH+]1CCCC1)NCc1ccc(-c2ccnc3nc(C(F)(F)F)nn32)cc1 ZINC000019334568 558869563 /nfs/dbraw/zinc/86/95/63/558869563.db2.gz SRONLUPWKCIBIA-UHFFFAOYSA-N 1 0 404.396 2.522 40 0 HFABRO O=C(C[C@H]1C(=O)NCC[N@@H+]1C1CCCC1)N1CCC[C@H](COc2ccc(F)cc2)C1 ZINC000019335793 558869942 /nfs/dbraw/zinc/86/99/42/558869942.db2.gz SMMDPYXXZWJSLN-UWJYYQICSA-N 1 0 417.525 2.576 40 0 HFABRO CC(C)[N@@H+]1CCc2c(nc([C@@H]3CCCN3C(=O)c3ccc4c(c3)OCO4)[nH]c2=O)C1 ZINC000019448413 558887467 /nfs/dbraw/zinc/88/74/67/558887467.db2.gz BTKWVCQFUOUUJY-KRWDZBQOSA-N 1 0 410.474 2.655 40 0 HFABRO CC(C)NC(=O)[C@H]1C[N@H+](Cc2ccccc2F)C[C@@H]1c1ccnc(N2CCCC2)n1 ZINC000019450085 558888712 /nfs/dbraw/zinc/88/87/12/558888712.db2.gz RVQQECCEYCUEKW-OALUTQOASA-N 1 0 411.525 2.956 40 0 HFABRO CC[C@@H](CN1CC[NH+](C)CC1)NC(=O)Cc1sc(C)nc1-c1ccc(F)cc1 ZINC000019500312 558898530 /nfs/dbraw/zinc/89/85/30/558898530.db2.gz KTVNIAPHOMRKHM-SFHVURJKSA-N 1 0 404.555 2.942 40 0 HFABRO CCCC(=O)N1CCc2nc([C@@H]3CCC[N@H+](Cc4cccc(OC)c4)C3)[nH]c(=O)c2C1 ZINC000019501590 558899742 /nfs/dbraw/zinc/89/97/42/558899742.db2.gz QRIQPYOVAFUUQF-GOSISDBHSA-N 1 0 424.545 2.843 40 0 HFABRO CSc1ncc(C[N@@H+]2CCC[C@@H](c3cc(=O)[nH]c(N4CCCCC4)n3)C2)cn1 ZINC000019574123 558931829 /nfs/dbraw/zinc/93/18/29/558931829.db2.gz WYECRBYHUKEYKS-MRXNPFEDSA-N 1 0 400.552 2.652 40 0 HFABRO COc1ccc2c(c1)CN(C(C)=O)C[C@@H]([C@H]1CCC[N@H+](Cc3cn(C)nc3C)C1)O2 ZINC000019583795 558938137 /nfs/dbraw/zinc/93/81/37/558938137.db2.gz RFUNNJPYRIUQHL-MBSDFSHPSA-N 1 0 412.534 2.759 40 0 HFABRO Cc1cc(C)n2nc(C3=CC[N@H+](C[C@@H](O)c4ccc5c(c4)OCCO5)CC3)cc2n1 ZINC000072342770 558940570 /nfs/dbraw/zinc/94/05/70/558940570.db2.gz QOLYIQIWVVGVPY-HXUWFJFHSA-N 1 0 406.486 2.940 40 0 HFABRO CC1CCC2(CC1)NC(=O)N(CC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+](C)C)C2=O ZINC000019664954 558955315 /nfs/dbraw/zinc/95/53/15/558955315.db2.gz SBUNPTXRDQOLFT-XZSJUEPFSA-N 1 0 420.941 2.560 40 0 HFABRO C[NH+]1CCC(n2nccc2NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1 ZINC000019665513 558955698 /nfs/dbraw/zinc/95/56/98/558955698.db2.gz MXFKDEGSKDKBKV-AWEZNQCLSA-N 1 0 401.898 2.795 40 0 HFABRO CNc1nc(C2CC[NH+](C)CC2)nc2c1CCN(C(=O)c1c(C)onc1C(C)C)C2 ZINC000072372414 558959845 /nfs/dbraw/zinc/95/98/45/558959845.db2.gz IMJOYQXICYVXSE-UHFFFAOYSA-N 1 0 412.538 2.946 40 0 HFABRO O=C(C[N@@H+]1CC[C@H](c2ccccc2)C1)N1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000072373078 558960780 /nfs/dbraw/zinc/96/07/80/558960780.db2.gz BMZDMHVZCICRRQ-SFTDATJTSA-N 1 0 420.557 2.775 40 0 HFABRO Cc1cc(Nc2ccccn2)cc([C@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)[nH+]1 ZINC000072375054 558963310 /nfs/dbraw/zinc/96/33/10/558963310.db2.gz HGTVOVBNJRDSFH-INIZCTEOSA-N 1 0 412.519 2.830 40 0 HFABRO CNC(=O)c1cnc(-c2ccccc2)nc1CCNC(=O)[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000019697303 558964924 /nfs/dbraw/zinc/96/49/24/558964924.db2.gz AYIZSEZTSRWWGH-NRFANRHFSA-N 1 0 421.545 2.569 40 0 HFABRO CNc1nc([C@H]2CCC[N@H+](C)C2)nc2c1CCN(C(=O)CCc1ccccc1OC)C2 ZINC000019708841 558971414 /nfs/dbraw/zinc/97/14/14/558971414.db2.gz QKODWCVMKQDYCR-SFHVURJKSA-N 1 0 423.561 2.854 40 0 HFABRO COc1ccccc1CCNc1nc([C@H]2CCC[N@H+](C)C2)nc2c1CN(C(C)=O)CC2 ZINC000019711328 558973680 /nfs/dbraw/zinc/97/36/80/558973680.db2.gz ZGZKNMMHUQXLBO-IBGZPJMESA-N 1 0 423.561 2.854 40 0 HFABRO COc1ccccc1[C@@H](CNC(=O)c1nc2ccccc2n(C)c1=O)[NH+]1CCCCC1 ZINC000019714962 558975314 /nfs/dbraw/zinc/97/53/14/558975314.db2.gz AZVGILQDBFSGGJ-HXUWFJFHSA-N 1 0 420.513 2.899 40 0 HFABRO Cc1c(C[N@H+]2CCC[C@@]3(CCC(=O)N3CC(=O)NC(C)C)CC2)nc2ccccn12 ZINC000585100764 559024036 /nfs/dbraw/zinc/02/40/36/559024036.db2.gz VSYXGUZULFTZHV-HSZRJFAPSA-N 1 0 411.550 2.514 40 0 HFABRO O=C(CN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(F)cc1F)CC2)N1CCCC1 ZINC000585100859 559025495 /nfs/dbraw/zinc/02/54/95/559025495.db2.gz ZBGPJHDANPZFQX-QFIPXVFZSA-N 1 0 405.489 2.934 40 0 HFABRO CC(C)CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1ccc(-c3csnn3)cc1)C2 ZINC000585103240 559026570 /nfs/dbraw/zinc/02/65/70/559026570.db2.gz APTONOXBOMNECJ-NRFANRHFSA-N 1 0 400.548 2.912 40 0 HFABRO CC(C)C[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc(Cl)c(F)c2)CC1 ZINC000585106074 559028291 /nfs/dbraw/zinc/02/82/91/559028291.db2.gz IYGZBWTXQOOYNN-CVEARBPZSA-N 1 0 407.917 2.788 40 0 HFABRO Cc1ncnc(C(=O)N2CCc3[nH]nc(-c4cccc5c4C[N@H+](C)C5)c3CC2)c1C ZINC000585110300 559029701 /nfs/dbraw/zinc/02/97/01/559029701.db2.gz BNDZDNCGUIHEHV-UHFFFAOYSA-N 1 0 402.502 2.670 40 0 HFABRO CCCN1CC[N@H+](CCC(N)=O)C[C@H](Cc2ccccc2-c2ccccc2OC)C1=O ZINC000585172738 559068781 /nfs/dbraw/zinc/06/87/81/559068781.db2.gz DDQQDGNDMXOZGR-FQEVSTJZSA-N 1 0 423.557 2.951 40 0 HFABRO CCCN1CC[N@H+](CCC(N)=O)C[C@@H](Cc2ccccc2-c2ccccc2OC)C1=O ZINC000585172742 559068801 /nfs/dbraw/zinc/06/88/01/559068801.db2.gz DDQQDGNDMXOZGR-HXUWFJFHSA-N 1 0 423.557 2.951 40 0 HFABRO C[N@@H+](Cc1ccc(OCCN2CCOCC2)cc1)C[C@@H](O)COC1CCCCC1 ZINC000585262562 559111159 /nfs/dbraw/zinc/11/11/59/559111159.db2.gz SWCBPTTZDBTUHT-OAQYLSRUSA-N 1 0 406.567 2.540 40 0 HFABRO CCCc1cnc(Nc2cccc(C3CCN(C(=O)[C@@H]([NH3+])[C@H](C)O)CC3)n2)s1 ZINC000585263083 559111941 /nfs/dbraw/zinc/11/19/41/559111941.db2.gz JHEBHTXZJOUGEW-UGSOOPFHSA-N 1 0 403.552 2.648 40 0 HFABRO COc1ccc(OC[C@H](O)C[N@H+](C)Cc2ccc(OCCn3cccn3)cc2)cc1 ZINC000585271557 559115763 /nfs/dbraw/zinc/11/57/63/559115763.db2.gz ZQGWMOGLAIQXSB-HXUWFJFHSA-N 1 0 411.502 2.842 40 0 HFABRO CCOc1ccccc1OC[C@@H](O)C[N@H+](C)Cc1cccc(CN2CCOCC2)c1 ZINC000585274191 559118541 /nfs/dbraw/zinc/11/85/41/559118541.db2.gz UHNKJMUCVYSAII-QFIPXVFZSA-N 1 0 414.546 2.789 40 0 HFABRO CC(=O)N1CCCC[C@H]2C[N@H+](CC3(O)CCN(c4ccccc4F)CC3)CC[C@H]21 ZINC000585282786 559120197 /nfs/dbraw/zinc/12/01/97/559120197.db2.gz HXFCJJGGGWWLKA-PZJWPPBQSA-N 1 0 403.542 2.880 40 0 HFABRO O=C(CCc1ccccc1)N1CC[C@](O)(C[NH+]2CCC(c3ccccc3)CC2)[C@@H](O)C1 ZINC000585284595 559121263 /nfs/dbraw/zinc/12/12/63/559121263.db2.gz MBRBPTSGQVFPLE-AHWVRZQESA-N 1 0 422.569 2.823 40 0 HFABRO O=C(CCc1ccccc1)N1CC[C@H](O)[C@@](O)(C[NH+]2CCC(c3ccccc3)CC2)C1 ZINC000585286159 559121861 /nfs/dbraw/zinc/12/18/61/559121861.db2.gz WJRNXQWJPHGSOJ-AZGAKELHSA-N 1 0 422.569 2.823 40 0 HFABRO CCCCN1C(=O)[C@H]2[C@@H](CC(C)C)[NH2+][C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O ZINC000103088034 559154469 /nfs/dbraw/zinc/15/44/69/559154469.db2.gz OPDUIPGWWWSSAV-MXTNKPTQSA-N 1 0 403.910 2.907 40 0 HFABRO CS(=O)(=O)Nc1cccc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)c1 ZINC000105107662 559162308 /nfs/dbraw/zinc/16/23/08/559162308.db2.gz VHPCBHWADCDZIN-UHFFFAOYSA-N 1 0 401.532 2.974 40 0 HFABRO O=C(NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H]([NH+]2CCOCC2)CC1)C1CCCC1 ZINC000257248925 559284461 /nfs/dbraw/zinc/28/44/61/559284461.db2.gz JFVHPLTVWNQRQG-CQOQZXRMSA-N 1 0 400.563 2.867 40 0 HFABRO O=C(NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCC(O)CC2)CC1)c1ccccn1 ZINC000257249457 559284569 /nfs/dbraw/zinc/28/45/69/559284569.db2.gz JILQJLCTIWETSD-LSQMVHIFSA-N 1 0 423.557 2.510 40 0 HFABRO Cc1ccc2[nH]c(=O)c(CN(C[C@H]3CCCO3)C(=S)NCCC[NH+](C)C)cc2c1 ZINC000004131578 560599717 /nfs/dbraw/zinc/59/97/17/560599717.db2.gz NXHXBEGNSFFRHY-LJQANCHMSA-N 1 0 416.591 2.644 40 0 HFABRO CC[NH+](CC)CCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=S)NCCOC ZINC000004133718 560600779 /nfs/dbraw/zinc/60/07/79/560600779.db2.gz FEPAEPIUCHKYKV-UHFFFAOYSA-N 1 0 404.580 2.501 40 0 HFABRO O=C(N[C@@H]1C(=O)N/[N+](=C\c2ccc(F)cc2)[C@@H]1c1ccccc1)c1ccc(F)cc1 ZINC000409061968 560671817 /nfs/dbraw/zinc/67/18/17/560671817.db2.gz KSMZIZMHSIQRQS-IQUGWNQFSA-O 1 0 406.412 2.981 40 0 HFABRO COc1cc(C[NH2+]C[C@@H]2CCCO2)ccc1OCc1nnnn1-c1ccc(C)cc1 ZINC000007540348 560751584 /nfs/dbraw/zinc/75/15/84/560751584.db2.gz RUJYYKZSPQFSMQ-IBGZPJMESA-N 1 0 409.490 2.827 40 0 HFABRO CCOC(=O)c1ccc(-c2ccc(C[NH2+]CCCSc3nnnn3C)o2)cc1 ZINC000007540480 560751617 /nfs/dbraw/zinc/75/16/17/560751617.db2.gz WEMLFWKABXWPOZ-UHFFFAOYSA-N 1 0 401.492 2.919 40 0 HFABRO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)s1 ZINC000109047141 560755293 /nfs/dbraw/zinc/75/52/93/560755293.db2.gz YFJKAOWTBVRELA-OAGGEKHMSA-N 1 0 415.625 2.982 40 0 HFABRO Cc1c(Cl)cccc1N(CC(=O)NCC[NH+](C)C)S(=O)(=O)c1ccccc1 ZINC000010111533 560779771 /nfs/dbraw/zinc/77/97/71/560779771.db2.gz CSESDMHFDHFWRL-UHFFFAOYSA-N 1 0 409.939 2.522 40 0 HFABRO CC1(C)CC(NC(=O)C(=O)Nc2ccc(Br)cc2F)CC(C)(C)[NH2+]1 ZINC000042645893 560861354 /nfs/dbraw/zinc/86/13/54/560861354.db2.gz BIGYFGIAHFGFLG-UHFFFAOYSA-N 1 0 400.292 2.952 40 0 HFABRO COC(=O)c1cc(S(=O)(=O)NCCC[N@@H+]2CCc3ccccc3C2)ccc1Cl ZINC000223190305 568540652 /nfs/dbraw/zinc/54/06/52/568540652.db2.gz HHDSUHABEWUIEB-UHFFFAOYSA-N 1 0 422.934 2.853 40 0 HFABRO CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cc[nH+]cc1 ZINC000223643017 568554552 /nfs/dbraw/zinc/55/45/52/568554552.db2.gz JXKGTQCIMWXDHI-WOJBJXKFSA-N 1 0 407.499 2.803 40 0 HFABRO CS(=O)(=O)N(CC(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1ccc(F)cc1 ZINC000224599799 568587427 /nfs/dbraw/zinc/58/74/27/568587427.db2.gz IBAJLRTZCFFUDW-UHFFFAOYSA-N 1 0 419.522 2.504 40 0 HFABRO CN(c1cccc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1)S(C)(=O)=O ZINC000224634612 568589796 /nfs/dbraw/zinc/58/97/96/568589796.db2.gz DGTRWYICIOUABD-UHFFFAOYSA-N 1 0 401.532 2.608 40 0 HFABRO CN(c1cccc(C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)c1)S(C)(=O)=O ZINC000224694388 568592461 /nfs/dbraw/zinc/59/24/61/568592461.db2.gz NEPDBFZXTCXWKF-UHFFFAOYSA-N 1 0 415.559 2.998 40 0 HFABRO COC(=O)Cc1ccc(NC(=S)N2CC[NH+](C3Cc4ccccc4C3)CC2)cc1 ZINC000225210930 568623566 /nfs/dbraw/zinc/62/35/66/568623566.db2.gz HKMMVGBHSIOATO-UHFFFAOYSA-N 1 0 409.555 2.884 40 0 HFABRO COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCC[NH+](C)C)cc1OC ZINC000225587757 568654852 /nfs/dbraw/zinc/65/48/52/568654852.db2.gz FEXSKXBTRJBTKU-VKAVYKQESA-N 1 0 417.531 2.604 40 0 HFABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)CN(Cc1ccc(C)cc1)S(C)(=O)=O ZINC000260843215 568741921 /nfs/dbraw/zinc/74/19/21/568741921.db2.gz PKHZAQKBLBNRFJ-FQEVSTJZSA-N 1 0 409.596 2.527 40 0 HFABRO CNC(=O)c1sc2nc([C@]3(C)CCC[N@@H+](C4CCN(C)CC4)C3)ccc2c1N ZINC000257201311 568776348 /nfs/dbraw/zinc/77/63/48/568776348.db2.gz AHCYPNGFGLHTBM-OAQYLSRUSA-N 1 0 401.580 2.686 40 0 HFABRO O=C(NCCn1nc([C@H]2CCC[N@H+](Cc3ccncc3)C2)c2cccnc21)C1CC1 ZINC000257204572 568777448 /nfs/dbraw/zinc/77/74/48/568777448.db2.gz AVGHVQGKTUAPTI-IBGZPJMESA-N 1 0 404.518 2.732 40 0 HFABRO NC(=O)c1sc2ncccc2c1C1CCN(C(=O)C[NH+]2CCCCCC2)CC1 ZINC000257228140 568784414 /nfs/dbraw/zinc/78/44/14/568784414.db2.gz FSMSCHYVFZGPCH-UHFFFAOYSA-N 1 0 400.548 2.977 40 0 HFABRO COc1ccc([C@H]2C[N@H+](CC(C)(C)CN3CCOCC3)[C@@H]3CCOC[C@@H]32)cc1OC ZINC000257295278 568802842 /nfs/dbraw/zinc/80/28/42/568802842.db2.gz QXRIKIRNJNMRNE-NJDAHSKKSA-N 1 0 418.578 2.867 40 0 HFABRO Cc1cc(C)cc(C[N@@H+]2CC[C@]3(Cc4nn(Cc5ccccc5)c(=O)c(=O)n4C3)C2)c1 ZINC000306123228 568886323 /nfs/dbraw/zinc/88/63/23/568886323.db2.gz AHUQFWLTVNYRDP-VWLOTQADSA-N 1 0 416.525 2.519 40 0 HFABRO Cc1ccc(C[N@H+]2C[C@@H]3Cc4nnc(C(=O)NCc5ccccc5)n4C[C@H]3C2)cc1 ZINC000306124166 568887259 /nfs/dbraw/zinc/88/72/59/568887259.db2.gz BIDZOQMXHYZDLS-LEWJYISDSA-N 1 0 401.514 2.821 40 0 HFABRO Cc1ccc(C[N@H+]2C[C@@H]3Cc4nnc(C(=O)NCc5ccccc5)n4C[C@@H]3C2)cc1 ZINC000306124169 568887310 /nfs/dbraw/zinc/88/73/10/568887310.db2.gz BIDZOQMXHYZDLS-SFTDATJTSA-N 1 0 401.514 2.821 40 0 HFABRO C[NH+](C)CCNC(=O)c1nc([C@@H]2CCCN2C(=O)c2ccccc2)n2ccccc12 ZINC000306125278 568888066 /nfs/dbraw/zinc/88/80/66/568888066.db2.gz CLEMMMNYBREHHJ-IBGZPJMESA-N 1 0 405.502 2.603 40 0 HFABRO O=C1N(Cc2ccncc2)CCO[C@@]12C[N@H+](Cc1cccs1)C[C@H]2c1cccnc1 ZINC000306135901 568897828 /nfs/dbraw/zinc/89/78/28/568897828.db2.gz PEBRGZHAEDBTTO-JTHBVZDNSA-N 1 0 420.538 2.935 40 0 HFABRO COCCN1CC[C@@]2(C[N@H+](Cc3cccs3)C[C@H]2c2cn(C(C)C)cn2)C1=O ZINC000306137149 568899200 /nfs/dbraw/zinc/89/92/00/568899200.db2.gz QMQXVXDYDKHLOA-RXVVDRJESA-N 1 0 402.564 2.990 40 0 HFABRO CC(C)N1CCN(C(=O)c2nc(-c3ccn(CC[NH+](C)C)c3)n3ccccc23)CC1 ZINC000306141507 568902931 /nfs/dbraw/zinc/90/29/31/568902931.db2.gz VYONEGWAQBAKNM-UHFFFAOYSA-N 1 0 408.550 2.531 40 0 HFABRO COc1ccccc1C[N@@H+]1C[C@@H]2Cn3c(nnc3C(=O)Nc3cccc(F)c3)C[C@@H]2C1 ZINC000306142824 568904416 /nfs/dbraw/zinc/90/44/16/568904416.db2.gz XLDHINRYTJVFGK-IAGOWNOFSA-N 1 0 421.476 2.982 40 0 HFABRO CC[C@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccccc3Cl)C2=O)[C@@H]2C(=O)N(C)C(=O)[C@H]12 ZINC000100157149 569012610 /nfs/dbraw/zinc/01/26/10/569012610.db2.gz WCEBBFBGKAXAJX-NZQNYPKQSA-N 1 0 423.900 2.695 40 0 HFABRO CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(C)C)[NH2+][C@]21C(=O)Nc2ccc(Cl)cc21 ZINC000016022098 569026139 /nfs/dbraw/zinc/02/61/39/569026139.db2.gz AZBQPUGGUIPFCL-LXGFNCFKSA-N 1 0 403.910 2.905 40 0 HFABRO CCN1CCN(C(=O)C2CC[NH2+]CC2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257252525 569397901 /nfs/dbraw/zinc/39/79/01/569397901.db2.gz JVCGMHLEAYQDSB-QFIPXVFZSA-N 1 0 420.557 2.598 40 0 HFABRO [NH3+][C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C1(O)COC1 ZINC000575624106 571049492 /nfs/dbraw/zinc/04/94/92/571049492.db2.gz GVHZZSJPOLDGLM-QFIPXVFZSA-N 1 0 402.494 2.573 40 0 HFABRO Cn1nc(-c2ccc3ccccc3c2)cc1[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNS(C)(=O)=O ZINC000008635479 291227433 /nfs/dbraw/zinc/22/74/33/291227433.db2.gz CJXGXLQJTJBLCI-TYPHKJRUSA-N 1 0 424.570 2.967 40 0 biogenic,in-vitro HFABRO O[C@@H]1[C@@H](N2CCC(Cc3ccccc3)CC2)[C@@H]2OC[C@@H](O2)[C@H]1[NH2+]Cc1ccccc1 ZINC000096533292 291230622 /nfs/dbraw/zinc/23/06/22/291230622.db2.gz VLCYTNCQOKSFGG-UUFXTFJOSA-N 1 0 408.542 2.584 40 0 biogenic,in-vitro HFABRO OC1(c2csc(CN3CCN(c4ccccn4)CC3)n2)CC[NH+](CC2CC2)CC1 ZINC000225477398 291230238 /nfs/dbraw/zinc/23/02/38/291230238.db2.gz QIGPHIHHNPEWGE-UHFFFAOYSA-N 1 0 413.591 2.554 40 0 biogenic,in-vitro HFABRO COc1ccc(C[NH+]2CCC(CNC(=O)C3CCN(c4ncccn4)CC3)CC2)cc1 ZINC000012184102 132356134 /nfs/dbraw/zinc/35/61/34/132356134.db2.gz KLXGAJNFKDRQBC-UHFFFAOYSA-N 1 0 423.561 2.730 40 0 HFABRO CNC(=O)c1cnc(C)nc1CC1CC[NH+](Cc2cncn2Cc2ccccc2)CC1 ZINC000019757176 521925770 /nfs/dbraw/zinc/92/57/70/521925770.db2.gz XTQRMBLFLPCFGP-UHFFFAOYSA-N 1 0 418.545 2.844 40 0 HFABRO CN(c1ccccc1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)S(C)(=O)=O ZINC000044871515 523653670 /nfs/dbraw/zinc/65/36/70/523653670.db2.gz AMIPWBKWLJFHJM-UHFFFAOYSA-N 1 0 401.532 2.608 40 0 HFABRO CC[NH+](CC)CCN(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000005469543 557655537 /nfs/dbraw/zinc/65/55/37/557655537.db2.gz WBIPIAMUBPTHIQ-UHFFFAOYSA-N 1 0 410.561 2.716 40 0 HFABRO C[NH+](C)CCCNC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl ZINC000408702243 557729242 /nfs/dbraw/zinc/72/92/42/557729242.db2.gz MAOBHTJOECEYFN-UHFFFAOYSA-N 1 0 401.960 2.586 40 0 HFABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+](C)C)c2ccccc2Cl)cc1 ZINC000010111369 557855236 /nfs/dbraw/zinc/85/52/36/557855236.db2.gz RVWCXHOZLDOUKU-UHFFFAOYSA-N 1 0 423.966 2.912 40 0 HFABRO O=C(Cn1cc(NC(=O)c2ccccn2)cn1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000019749498 558268832 /nfs/dbraw/zinc/26/88/32/558268832.db2.gz VJYJWXBVJHOYMF-UHFFFAOYSA-N 1 0 404.474 2.765 40 0 HFABRO COc1ccccc1NC(=O)c1cnc([C@@H]2CCCCN2C(=O)C[NH+](C)C)nc1C ZINC000019753427 558272777 /nfs/dbraw/zinc/27/27/77/558272777.db2.gz FIDONUKWYSJZNA-SFHVURJKSA-N 1 0 411.506 2.661 40 0 HFABRO COc1cc(C[N@@H+]2Cc3ccccc3OC3(CCOCC3)C2)ccc1OCC(N)=O ZINC000012122175 558330824 /nfs/dbraw/zinc/33/08/24/558330824.db2.gz LHFVXINOYZBHKE-UHFFFAOYSA-N 1 0 412.486 2.503 40 0 HFABRO [NH3+][C@H](Cc1ccccc1)C(=O)N1CCC(O)(Cn2ccc3nc(Cl)ccc32)CC1 ZINC000012163251 558342003 /nfs/dbraw/zinc/34/20/03/558342003.db2.gz SONSAXIEGKMHLK-QGZVFWFLSA-N 1 0 412.921 2.613 40 0 HFABRO CC[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc(OC)c(N2CCCC2=O)c1 ZINC000020491831 558378228 /nfs/dbraw/zinc/37/82/28/558378228.db2.gz IUXMAXMJQCCPMZ-QGZVFWFLSA-N 1 0 423.579 2.755 40 0 HFABRO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@H]1c1cccc(OCC)c1 ZINC000020674713 558399226 /nfs/dbraw/zinc/39/92/26/558399226.db2.gz KPZYNWBEXYWMPX-RTWAWAEBSA-N 1 0 421.497 2.850 40 0 HFABRO Cc1ccc(C[NH+]2CCC(O)(CN3c4ccccc4C(=O)N4CCC[C@@H]4C3=O)CC2)o1 ZINC000019216558 558850438 /nfs/dbraw/zinc/85/04/38/558850438.db2.gz AZVZRKWZPISUAR-OAQYLSRUSA-N 1 0 423.513 2.566 40 0 HFABRO O=C(Cc1cccs1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](C2CCCC2)C3)C1 ZINC000019343143 558872495 /nfs/dbraw/zinc/87/24/95/558872495.db2.gz FXLKULBVFURJIQ-HNNXBMFYSA-N 1 0 412.559 2.691 40 0 HFABRO C[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCN([C@H](c2nccn2C)c2ccccc2)CC1 ZINC000019496365 558895221 /nfs/dbraw/zinc/89/52/21/558895221.db2.gz HRWNLWZLTCLSLP-OFNKIYASSA-N 1 0 409.578 2.918 40 0 HFABRO CCOc1ccc(CC(=O)N2CCC[C@@H](c3nc4c(c(=O)[nH]3)C[N@H+](C)CC4)C2)cc1 ZINC000019532865 558912786 /nfs/dbraw/zinc/91/27/86/558912786.db2.gz XUENDVLDDIIANS-QGZVFWFLSA-N 1 0 410.518 2.518 40 0 HFABRO COc1ccc(C[NH+]2CCC(c3nnc(-c4cnccn4)o3)CC2)c(OC)c1OC ZINC000019552746 558916089 /nfs/dbraw/zinc/91/60/89/558916089.db2.gz RZOGUZLLNMBCRG-UHFFFAOYSA-N 1 0 411.462 2.932 40 0 HFABRO COc1cccc(C[NH+]2CCC(c3cc(C(=O)N4CCOCC4)on3)CC2)c1OC ZINC000019567664 558926838 /nfs/dbraw/zinc/92/68/38/558926838.db2.gz ZYUFEQNSKBYPEB-UHFFFAOYSA-N 1 0 415.490 2.544 40 0 HFABRO CCCn1ncc(C[NH+]2CCC([C@H]3Nc4ccccc4S(=O)(=O)N3)CC2)c1C ZINC000072338945 558938497 /nfs/dbraw/zinc/93/84/97/558938497.db2.gz RFMPGYOMTLBEOK-FQEVSTJZSA-N 1 0 403.552 2.544 40 0 HFABRO C[NH+]1CCC(N(Cc2cccnc2)C(=O)c2cc(-c3ccc4c(c3)OCO4)n[nH]2)CC1 ZINC000019588162 558940193 /nfs/dbraw/zinc/94/01/93/558940193.db2.gz NSQRBEHUFRTAGB-UHFFFAOYSA-N 1 0 419.485 2.937 40 0 HFABRO Cc1cc(C)nc(Nc2ccc([C@H]3CCC[N@H+](CCC(=O)N4CCOCC4)C3)nc2)n1 ZINC000072353281 558950148 /nfs/dbraw/zinc/95/01/48/558950148.db2.gz RYQAGXFYDAYBOA-IBGZPJMESA-N 1 0 424.549 2.660 40 0 HFABRO CN(C)C(=O)C[N@@H+]1CC[C@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)n[nH]2)C1 ZINC000072371357 558958073 /nfs/dbraw/zinc/95/80/73/558958073.db2.gz TYLLMJXLPURBEJ-AWEZNQCLSA-N 1 0 410.440 2.928 40 0 HFABRO CC(C)(C)NC(=O)CNC(=O)c1ccc([C@H]2CCC[N@H+](Cc3ccccn3)C2)nc1 ZINC000019706073 558968734 /nfs/dbraw/zinc/96/87/34/558968734.db2.gz OHFNYVPVTSOPAY-SFHVURJKSA-N 1 0 409.534 2.501 40 0 HFABRO CC(C)NC(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CN(C(=O)C[NH+](C)C)CCO1 ZINC000072389110 558969604 /nfs/dbraw/zinc/96/96/04/558969604.db2.gz RTEYQYWQIAAULL-VWLOTQADSA-N 1 0 423.557 2.580 40 0 HFABRO O=C(CN1CCCC1=O)NC1CC[NH+](CC2(c3ccc(Cl)cc3)CCC2)CC1 ZINC000072393389 558972791 /nfs/dbraw/zinc/97/27/91/558972791.db2.gz UEFXPAWOCSUGEW-UHFFFAOYSA-N 1 0 403.954 2.965 40 0 HFABRO CC(=O)N1CCc2nc([C@@H]3CCC[N@@H+](C)C3)nc(NCCc3ncc(C)s3)c2C1 ZINC000019711323 558973486 /nfs/dbraw/zinc/97/34/86/558973486.db2.gz SHENDDVUCVVADH-MRXNPFEDSA-N 1 0 414.579 2.610 40 0 HFABRO COc1ccccc1CCNc1nc([C@@H]2CCC[N@H+](C)C2)nc2c1CN(C(C)=O)CC2 ZINC000019711327 558973667 /nfs/dbraw/zinc/97/36/67/558973667.db2.gz ZGZKNMMHUQXLBO-LJQANCHMSA-N 1 0 423.561 2.854 40 0 HFABRO Cc1ccc(N2C[C@@H](C(=O)NC3CC[NH+](Cc4ccccn4)CC3)CC2=O)c(C)c1 ZINC000019713989 558973755 /nfs/dbraw/zinc/97/37/55/558973755.db2.gz MECXXNMQXMGBNY-IBGZPJMESA-N 1 0 406.530 2.832 40 0 HFABRO Cc1nc2ccccn2c1C[NH+]1CCC2(CC1)NC(=O)N(Cc1ccccc1)C2=O ZINC000019714579 558974632 /nfs/dbraw/zinc/97/46/32/558974632.db2.gz YMPOOZCEWUHIGD-UHFFFAOYSA-N 1 0 403.486 2.729 40 0 HFABRO CC(C)CC[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(c2cc(C(F)(F)F)ncn2)CC1 ZINC000585106063 559028305 /nfs/dbraw/zinc/02/83/05/559028305.db2.gz ITPJSZSTEHLFDK-CABCVRRESA-N 1 0 411.472 2.558 40 0 HFABRO CC(C)CC[N@@H+]1C[C@@H]2C(=O)NC3(CCN(c4cc(C(F)(F)F)ncn4)CC3)[C@H]2C1 ZINC000585106064 559028319 /nfs/dbraw/zinc/02/83/19/559028319.db2.gz ITPJSZSTEHLFDK-GJZGRUSLSA-N 1 0 411.472 2.558 40 0 HFABRO Cc1ccc(CNC(=O)N2CCC3(CC2)NC(=O)[C@@H]2C[N@@H+](CCC(C)C)C[C@@H]23)cc1 ZINC000585106035 559028322 /nfs/dbraw/zinc/02/83/22/559028322.db2.gz GJJRKQVEERLVLI-RTWAWAEBSA-N 1 0 412.578 2.763 40 0 HFABRO CN1CC[C@]2(CN(c3ncccn3)CC23CC[NH+](Cc2ccc(F)cc2)CC3)C1=O ZINC000096036358 559089975 /nfs/dbraw/zinc/08/99/75/559089975.db2.gz WIAHIKAZHNJJJM-QHCPKHFHSA-N 1 0 409.509 2.567 40 0 HFABRO O=C(NCC1CC1)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@H+](Cc1ccc(F)cc1)CCC2 ZINC000096056147 559093810 /nfs/dbraw/zinc/09/38/10/559093810.db2.gz DDQASADPCXHWGX-RDPSFJRHSA-N 1 0 423.536 2.861 40 0 HFABRO CN1CC[NH+](C[C@H]2CO[C@]3(C2)CCCN(C(=O)c2ccc(-n4cccc4)cc2)C3)CC1 ZINC000096228438 559102711 /nfs/dbraw/zinc/10/27/11/559102711.db2.gz HTKWONGZAQDBLJ-OFVILXPXSA-N 1 0 422.573 2.736 40 0 HFABRO Cc1cc(C(=O)N2Cc3ccccc3C3(CC[NH+](Cc4cnn(C)c4)CC3)C2)no1 ZINC000096242583 559104104 /nfs/dbraw/zinc/10/41/04/559104104.db2.gz RJSZIFYJUAKYGT-UHFFFAOYSA-N 1 0 405.502 2.906 40 0 HFABRO CN1C(=O)[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2C12CCN(C(=O)Nc1ccccc1)CC2 ZINC000096262261 559106393 /nfs/dbraw/zinc/10/63/93/559106393.db2.gz BEWUZNXMIHYVGC-LEWJYISDSA-N 1 0 419.529 2.668 40 0 HFABRO CC(=O)N[C@]12C[NH2+][C@H](c3ccccc3)[C@H]1CN(C(=O)c1cc3ccc(F)cc3[nH]1)CC2 ZINC000585261220 559108820 /nfs/dbraw/zinc/10/88/20/559108820.db2.gz NHFCOOYCHZLYMX-ZFJSRUIDSA-N 1 0 420.488 2.989 40 0 HFABRO COc1ccc(C(=O)N[C@@H]2C[C@@H](Oc3cccc(F)c3)[C@H](O)[C@H]2[NH+]2CCCC2)cc1 ZINC000585262401 559110958 /nfs/dbraw/zinc/11/09/58/559110958.db2.gz NDFBKBYOVILARV-CZYKHXBRSA-N 1 0 414.477 2.609 40 0 HFABRO CCCCc1ccc(C[NH2+]C[C@]2(O)CN(C(=O)Cc3ccccc3)CC[C@H]2O)cc1 ZINC000585285813 559121722 /nfs/dbraw/zinc/12/17/22/559121722.db2.gz MWSUPSLMBKQGGY-NOZRDPDXSA-N 1 0 410.558 2.686 40 0 HFABRO O=S(=O)(c1cnccc1N1CC[NH2+]CC1)N(Cc1ccccc1)Cc1ccccc1 ZINC000072210690 559168074 /nfs/dbraw/zinc/16/80/74/559168074.db2.gz IYKZKFOXSNCTGL-UHFFFAOYSA-N 1 0 422.554 2.882 40 0 HFABRO COc1ccc(OC[C@H](O)C[N@H+](C)Cc2ccc(OCc3nccn3C)cc2)cc1 ZINC000257256577 559284769 /nfs/dbraw/zinc/28/47/69/559284769.db2.gz KMBFROXHLBXJAP-LJQANCHMSA-N 1 0 411.502 2.879 40 0 HFABRO Cc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2ccc(OCCOCCO)cc2)c(C)c1 ZINC000257284450 559285301 /nfs/dbraw/zinc/28/53/01/559285301.db2.gz PCTPEIPDPAEVML-NRFANRHFSA-N 1 0 403.519 2.563 40 0 HFABRO C[N@@H+](Cc1ccc(OCCN2CCCC2=O)cc1)C[C@@H](O)COC1CCCCC1 ZINC000257311784 559286273 /nfs/dbraw/zinc/28/62/73/559286273.db2.gz UKZMULWUGNIHPA-HXUWFJFHSA-N 1 0 404.551 2.830 40 0 HFABRO CC[NH+](CC)CCN(Cc1cc2c(C)ccc(C)c2[nH]c1=O)C(=S)NCCOC ZINC000004133784 560600745 /nfs/dbraw/zinc/60/07/45/560600745.db2.gz KINXNEMHWZYMAD-UHFFFAOYSA-N 1 0 418.607 2.810 40 0 HFABRO CCOc1ccc2[nH]c(=O)c(CN(CC[NH+](C)C)C(=S)N[C@H](C)CC)cc2c1 ZINC000004161968 560602072 /nfs/dbraw/zinc/60/20/72/560602072.db2.gz HKAGQWOZWJUQDX-OAHLLOKOSA-N 1 0 404.580 2.963 40 0 HFABRO CC[C@H](C)NC(=S)N(CCC[NH+](C)C)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000004161967 560602080 /nfs/dbraw/zinc/60/20/80/560602080.db2.gz ICRMPOVXHFDVEM-HNNXBMFYSA-N 1 0 404.580 2.963 40 0 HFABRO COc1ccc([C@@H]2[C@H](NC(=O)c3ccccc3)C(=O)N/[N+]2=C\c2ccccc2)cc1 ZINC000409060464 560671077 /nfs/dbraw/zinc/67/10/77/560671077.db2.gz VPXRUBWWWWLTHC-NQQNOTTHSA-O 1 0 400.458 2.711 40 0 HFABRO COc1ccc([C@@H]2[C@H](NC(=O)c3ccccc3)C(=O)N/[N+]2=C\c2ccc(F)cc2)cc1 ZINC000409061950 560671826 /nfs/dbraw/zinc/67/18/26/560671826.db2.gz KLDYBDRAVOVYNG-DCFWFYTKSA-O 1 0 418.448 2.850 40 0 HFABRO CCc1ccc(OCC(=O)NC(=S)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000006283945 560740879 /nfs/dbraw/zinc/74/08/79/560740879.db2.gz LOEPWTGFUDDNNR-UHFFFAOYSA-N 1 0 412.559 2.893 40 0 HFABRO CCc1ccccc1N(CC(=O)NCCC[NH+](C)C)S(=O)(=O)c1ccccc1 ZINC000010111351 560763804 /nfs/dbraw/zinc/76/38/04/560763804.db2.gz JJXBTVLDLAMOFG-UHFFFAOYSA-N 1 0 403.548 2.512 40 0 HFABRO COCC[NH+]1CCN(c2ccc(NCc3cc4ccc(OC)cc4[nH]c3=O)cc2)CC1 ZINC000013479977 560811396 /nfs/dbraw/zinc/81/13/96/560811396.db2.gz ZYBIKMVFXXKUJV-UHFFFAOYSA-N 1 0 422.529 2.917 40 0 HFABRO CCC[NH+]1CCN([C@H](c2nnnn2C(C)(C)C)c2cc3cc(C)ccc3[nH]c2=O)CC1 ZINC000019503417 560873828 /nfs/dbraw/zinc/87/38/28/560873828.db2.gz XEBZCRBWCRMRAG-FQEVSTJZSA-N 1 0 423.565 2.695 40 0 HFABRO CC[NH+]1CCN([C@@H](c2nnnn2C(C)(C)C)c2cc3cc(C)cc(C)c3[nH]c2=O)CC1 ZINC000019527927 560874676 /nfs/dbraw/zinc/87/46/76/560874676.db2.gz ZOEFFWHAQZVNLU-HXUWFJFHSA-N 1 0 423.565 2.613 40 0 HFABRO COc1cc(C[NH2+]CCc2ccc(F)cc2)cc(Br)c1OCC(N)=O ZINC000022074518 568473967 /nfs/dbraw/zinc/47/39/67/568473967.db2.gz RTWHRDUVEBTYID-UHFFFAOYSA-N 1 0 411.271 2.793 40 0 HFABRO Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccc(Br)cc3)[C@@]2(C[NH3+])CO)cc1 ZINC000218227735 568476584 /nfs/dbraw/zinc/47/65/84/568476584.db2.gz GFDFATLUFGQKDN-OKZBNKHCSA-N 1 0 410.333 2.635 40 0 HFABRO Cc1ccccc1C[NH2+][C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(-c2cccnc2)n1 ZINC000604382637 568489528 /nfs/dbraw/zinc/48/95/28/568489528.db2.gz WKZDZAHNYDFFLS-SSGKUCQKSA-N 1 0 404.514 2.537 40 0 biogenic,in-vitro HFABRO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1CCC[NH+]1CCOCC1 ZINC000222733607 568525041 /nfs/dbraw/zinc/52/50/41/568525041.db2.gz UEUOPSCTQTVPMR-NHCUHLMSSA-N 1 0 413.591 2.825 40 0 HFABRO COC(=O)c1cccc(S(=O)(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)c1 ZINC000223795140 568559328 /nfs/dbraw/zinc/55/93/28/568559328.db2.gz NXXLSEJFZMRTDS-UHFFFAOYSA-N 1 0 404.488 2.747 40 0 HFABRO COC(=O)c1cc(S(=O)(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)ccc1Cl ZINC000223834609 568560353 /nfs/dbraw/zinc/56/03/53/568560353.db2.gz XIEIGDSIKIOXOT-UHFFFAOYSA-N 1 0 423.922 2.679 40 0 HFABRO CN(Cc1ccc(C(=O)NCCC[NH+]2CCCC2)cc1)S(=O)(=O)c1ccccc1 ZINC000224413533 568580699 /nfs/dbraw/zinc/58/06/99/568580699.db2.gz VHORMFXOQCBRGE-UHFFFAOYSA-N 1 0 415.559 2.723 40 0 HFABRO NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCN1Cc1ccccc1OCc1ccccn1 ZINC000257202302 568776778 /nfs/dbraw/zinc/77/67/78/568776778.db2.gz ALFBLGQKGPSJNT-HSZRJFAPSA-N 1 0 416.525 2.832 40 0 HFABRO COc1ccccc1[C@@H]1CN(C(C)=O)CCN1CC(=O)Nc1ccc2[nH]c(C)nc2c1 ZINC000257219642 568781845 /nfs/dbraw/zinc/78/18/45/568781845.db2.gz DHNGVWLRVIRYCB-NRFANRHFSA-N 1 0 421.501 2.724 40 0 HFABRO COc1ccccc1[C@H]1CN(C(C)=O)CCN1CC(=O)Nc1ccc2[nH]c(C)nc2c1 ZINC000257219643 568781857 /nfs/dbraw/zinc/78/18/57/568781857.db2.gz DHNGVWLRVIRYCB-OAQYLSRUSA-N 1 0 421.501 2.724 40 0 HFABRO CC[N@H+](Cc1ccncc1)C[C@]1(O)CCCN(C(=O)CC2(O)CCCCC2)CC1 ZINC000257221772 568782539 /nfs/dbraw/zinc/78/25/39/568782539.db2.gz DQLGNLGLMRZYPB-QHCPKHFHSA-N 1 0 403.567 2.732 40 0 HFABRO CC(=O)Nc1ccc(NC(=O)CN2CC[C@](C)(O)[C@@H](Oc3cccc(F)c3)C2)cc1 ZINC000257239924 568787514 /nfs/dbraw/zinc/78/75/14/568787514.db2.gz HRJSRVQHVQGLHX-UNMCSNQZSA-N 1 0 415.465 2.627 40 0 HFABRO Cc1ccc(C(=O)N[C@@H]2C[C@@H](Oc3cccc(F)c3)[C@H](O)[C@H]2[NH+]2CCCCC2)cn1 ZINC000257251627 568790692 /nfs/dbraw/zinc/79/06/92/568790692.db2.gz JRMLRPRNOAXKIX-CZYKHXBRSA-N 1 0 413.493 2.694 40 0 HFABRO C[NH+](C)CCOc1cccc(C(=O)N2CC[C@H](Oc3cccc(F)c3)[C@@](C)(O)C2)c1 ZINC000257287148 568800676 /nfs/dbraw/zinc/80/06/76/568800676.db2.gz POSRCLHQLSDDSL-GMAHTHKFSA-N 1 0 416.493 2.811 40 0 HFABRO CN(C)S(=O)(=O)N1CCC[C@@H](c2cc(-n3ccnc3-c3ccccc3)cc[nH+]2)C1 ZINC000257314537 568808541 /nfs/dbraw/zinc/80/85/41/568808541.db2.gz UXKRVBAYSMBQNG-GOSISDBHSA-N 1 0 411.531 2.920 40 0 HFABRO O=C(c1n[nH]c2ccccc21)N1CCC[C@@](O)(C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000257322664 568811253 /nfs/dbraw/zinc/81/12/53/568811253.db2.gz WGXSGXPDRNWMCT-DEOSSOPVSA-N 1 0 404.514 2.978 40 0 HFABRO C[C@@]12C[C@H]3[C@@H](Cc4ccccc4)[NH2+][C@@H]1CCCC[C@@H]2N3C(=O)c1cc(=O)[nH]c(=O)[nH]1 ZINC000257326037 568812193 /nfs/dbraw/zinc/81/21/93/568812193.db2.gz WVNBILPNYGNLEU-VXXLCZORSA-N 1 0 408.502 2.634 40 0 HFABRO CC(C)n1cc(C[N@H+]2C[C@@H]3Cc4nnc(C(=O)Nc5cccc(F)c5)n4C[C@H]3C2)cn1 ZINC000306123199 568886405 /nfs/dbraw/zinc/88/64/05/568886405.db2.gz AHEYWKHEKRHMJC-DLBZAZTESA-N 1 0 423.496 2.751 40 0 HFABRO O=C1N(Cc2ccncc2)CCO[C@]12C[N@H+](Cc1ccsc1)C[C@H]2c1cccnc1 ZINC000306127325 568890051 /nfs/dbraw/zinc/89/00/51/568890051.db2.gz FVSMCYSPJBBRCU-GMAHTHKFSA-N 1 0 420.538 2.935 40 0 HFABRO O=C(NCc1ccccc1)C1CCN(C2=NO[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000306129862 568892334 /nfs/dbraw/zinc/89/23/34/568892334.db2.gz IOZMRFPRZNGVLE-XZOQPEGZSA-N 1 0 418.541 2.859 40 0 HFABRO Cc1ccc(CC(=O)N2CCCC3(CC[NH+](C)CC3)[C@H]2CNC(=O)NC(C)C)cc1 ZINC000306130683 568893063 /nfs/dbraw/zinc/89/30/63/568893063.db2.gz JMWUMAVYUADVDE-OAQYLSRUSA-N 1 0 414.594 2.948 40 0 HFABRO COCCN1C[C@@]2(CC[N@H+](Cc3cccc(C)c3)C2)Oc2ccccc2S1(=O)=O ZINC000306135833 568897723 /nfs/dbraw/zinc/89/77/23/568897723.db2.gz PCGLWXUBYRRTIO-QFIPXVFZSA-N 1 0 416.543 2.669 40 0 HFABRO Cc1cccc(C[N@H+]2C[C@H]3Cc4nnc(C(=O)Nc5cccc(F)c5)n4C[C@@H]3C2)n1 ZINC000306136807 568898728 /nfs/dbraw/zinc/89/87/28/568898728.db2.gz QDYQFGBNTAUZCX-CVEARBPZSA-N 1 0 406.465 2.677 40 0 HFABRO Cc1ncsc1C[N@@H+]1C[C@@H]2Cn3c(nnc3C(=O)Nc3cccc(F)c3)C[C@@H]2C1 ZINC000306140990 568902729 /nfs/dbraw/zinc/90/27/29/568902729.db2.gz VIIWNZRPFCRWKK-ZIAGYGMSSA-N 1 0 412.494 2.739 40 0 HFABRO COc1ncccc1C[NH+]1CCC2(CCn3c2nnc(-c2ccc(C)cc2)c3=O)CC1 ZINC000306142420 568904056 /nfs/dbraw/zinc/90/40/56/568904056.db2.gz WZBMXZKYHYDJOU-UHFFFAOYSA-N 1 0 417.513 2.955 40 0 HFABRO COc1ccc(CN2CCO[C@]3(C[N@H+](CC4CC4)C[C@H]3c3cccnc3)C2=O)cc1 ZINC000306144272 568905588 /nfs/dbraw/zinc/90/55/88/568905588.db2.gz ZAUYUNSRSGWILJ-UPVQGACJSA-N 1 0 407.514 2.697 40 0 HFABRO C[N@@H+]1CC[C@@H](COCc2ccccn2)CC12CN(C(=O)c1ccc3c(c1)COC3)C2 ZINC000306144430 568905842 /nfs/dbraw/zinc/90/58/42/568905842.db2.gz ZEVFRJQLQLXKDB-GOSISDBHSA-N 1 0 407.514 2.865 40 0 HFABRO CCc1cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)nc(NC2CCCCC2)[nH+]1 ZINC000329007161 568972298 /nfs/dbraw/zinc/97/22/98/568972298.db2.gz LHHKWIMPKKAJSB-UHFFFAOYSA-N 1 0 415.563 2.994 40 0 HFABRO CC[C@@H](C)[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@@H]21 ZINC000016020596 569025775 /nfs/dbraw/zinc/02/57/75/569025775.db2.gz BHKTUHAQVLFBBP-PHTJJYGGSA-N 1 0 421.472 2.792 40 0 HFABRO Cc1ccc(NC(=O)N2CCN(c3cc(N4CCOCC4)cn[nH+]3)CC2)cc1Cl ZINC000224321977 569057323 /nfs/dbraw/zinc/05/73/23/569057323.db2.gz GFONOYJABMBWCS-UHFFFAOYSA-N 1 0 416.913 2.629 40 0 HFABRO COc1ccc(/C=C/C(=O)NC(=S)Nc2ccccc2N2CC[NH+](C)CC2)cc1 ZINC000006228389 569330064 /nfs/dbraw/zinc/33/00/64/569330064.db2.gz XKNCBMZVDYROCZ-FMIVXFBMSA-N 1 0 410.543 2.973 40 0 HFABRO CC[NH+](CC)CC(=O)N1CCO[C@@H](c2nc(N(C)C)ncc2-c2cccc(F)c2)C1 ZINC000019692640 569346075 /nfs/dbraw/zinc/34/60/75/569346075.db2.gz AEXKJDPGIJWXKK-LJQANCHMSA-N 1 0 415.513 2.590 40 0 HFABRO CNC(=O)c1[nH]c(C2CC[NH+](CC3=CCCOC3)CC2)nc1-c1ccc(OC)cc1 ZINC000019696999 569346803 /nfs/dbraw/zinc/34/68/03/569346803.db2.gz AUYQIHQNRTYPIG-UHFFFAOYSA-N 1 0 410.518 2.971 40 0 HFABRO Cn1nccc1C[NH+]1CCC(c2ccc(C(=O)NCc3ccccc3)c(N)n2)CC1 ZINC000019766016 569349050 /nfs/dbraw/zinc/34/90/50/569349050.db2.gz SAFHYEDBGPIQMT-UHFFFAOYSA-N 1 0 404.518 2.707 40 0 HFABRO CN(C)c1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccccc3)[C@H]2c2ccccc2)cc1 ZINC000039106830 569351807 /nfs/dbraw/zinc/35/18/07/569351807.db2.gz SPXVQSHEQFSEPH-DHIUTWEWSA-O 1 0 413.501 2.769 40 0 HFABRO CSCC[C@H]([NH3+])C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000002506588 569356743 /nfs/dbraw/zinc/35/67/43/569356743.db2.gz INIFZXJIDKCDQU-IRXDYDNUSA-N 1 0 419.547 2.651 40 0 HFABRO CCOC(=O)[C@@]1(C[NH3+])[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 ZINC000252514293 569387959 /nfs/dbraw/zinc/38/79/59/569387959.db2.gz BTXJLVOOORJGIC-ZHALLVOQSA-N 1 0 411.882 2.927 40 0 HFABRO COC[C@@]1(C[NH3+])[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc2c(c1)OCO2 ZINC000252516814 569388097 /nfs/dbraw/zinc/38/80/97/569388097.db2.gz XBFJYMNVCOJWGZ-GUDVDZBRSA-N 1 0 409.891 2.600 40 0 HFABRO C[NH+](C)CCNc1nc(Nc2ccc(N3CCOCC3)cc2)cc(-c2cccnc2)n1 ZINC000328968424 571304579 /nfs/dbraw/zinc/30/45/79/571304579.db2.gz CYXQITNVWALIOE-UHFFFAOYSA-N 1 0 419.533 3.092 40 0 HFABRO COC(=O)c1ccc(Nc2cc(-c3cccnc3)nc(NCCC[NH+](C)C)n2)cc1 ZINC000328968008 571306783 /nfs/dbraw/zinc/30/67/83/571306783.db2.gz CWWJPLIDPXATMR-UHFFFAOYSA-N 1 0 406.490 3.432 40 0 HFABRO COc1ccccc1-c1ccnc(N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3[NH2+]Cc2ccccc2)n1 ZINC000005433966 291226032 /nfs/dbraw/zinc/22/60/32/291226032.db2.gz UQQCMRUXQBRXOZ-JFJDKTSWSA-N 1 0 418.497 2.889 40 0 biogenic,in-vitro HFABRO O[C@@H]1CCN(Cc2nc(C3(O)CC[NH+](C4CCC(F)(F)CC4)CC3)cs2)C1 ZINC000225422490 291230260 /nfs/dbraw/zinc/23/02/60/291230260.db2.gz SBIQMXRJEZCECV-OAHLLOKOSA-N 1 0 401.523 2.571 40 0 biogenic,in-vitro HFABRO CCCOc1ccc(N2C(=O)C[C@H](N3CC[NH+](CCc4ccccc4)CC3)C2=O)cc1 ZINC000020353752 520387153 /nfs/dbraw/zinc/38/71/53/520387153.db2.gz JNAXSYBBBVBTMV-QHCPKHFHSA-N 1 0 421.541 2.968 40 0 HFABRO Cc1cccc(N(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)S(C)(=O)=O)c1 ZINC000044857283 524521291 /nfs/dbraw/zinc/52/12/91/524521291.db2.gz HXBDLUHYCNCARU-UHFFFAOYSA-N 1 0 415.559 2.673 40 0 HFABRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)C1 ZINC000044883596 525382417 /nfs/dbraw/zinc/38/24/17/525382417.db2.gz QHAQWQYEKISTIZ-OKILXGFUSA-N 1 0 401.960 2.809 40 0 HFABRO Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1NS(C)(=O)=O ZINC000044336172 526187015 /nfs/dbraw/zinc/18/70/15/526187015.db2.gz CDWDYGFTACQADR-UHFFFAOYSA-N 1 0 401.532 2.892 40 0 HFABRO Cc1nc2n(c(=O)c1CC[NH+]1CCC(C(=O)c3ccc(F)cc3)CC1)CCS2 ZINC000000538339 557018364 /nfs/dbraw/zinc/01/83/64/557018364.db2.gz RBGAHDDQSRBDOG-UHFFFAOYSA-N 1 0 401.507 2.934 40 0 in-man HFABRO C[C@H](C(=O)NCCC[NH+]1CCCCC1)N1c2cccc3cccc(c23)S1(=O)=O ZINC000010278933 557858092 /nfs/dbraw/zinc/85/80/92/557858092.db2.gz JTJGIBNQHLGRPV-MRXNPFEDSA-N 1 0 401.532 2.729 40 0 HFABRO C[C@@H](C(=O)NCCC[NH+]1CCCCC1)N1c2cccc3cccc(c23)S1(=O)=O ZINC000010278920 557858111 /nfs/dbraw/zinc/85/81/11/557858111.db2.gz JTJGIBNQHLGRPV-INIZCTEOSA-N 1 0 401.532 2.729 40 0 HFABRO C[C@@H]1C[N@H+](C)CC[C@@H]1CCc1ccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)cc1 ZINC000012131749 558332991 /nfs/dbraw/zinc/33/29/91/558332991.db2.gz AZIGQRWIAUJEEC-MJGOQNOKSA-N 1 0 421.607 2.817 40 0 HFABRO COc1ccc2c(c1)CN(C(C)=O)C[C@@H]([C@@H]1CCC[N@H+](Cc3cnn(C)c3C)C1)O2 ZINC000012235391 558358545 /nfs/dbraw/zinc/35/85/45/558358545.db2.gz GKCXMOHFFZFBDD-JPYJTQIMSA-N 1 0 412.534 2.759 40 0 HFABRO O=C1CCc2cc(S(=O)(=O)NC[C@H]3CCC[N@H+](Cc4ccccc4)C3)ccc2N1 ZINC000012239038 558359647 /nfs/dbraw/zinc/35/96/47/558359647.db2.gz GOBWERKELMLQPO-GOSISDBHSA-N 1 0 413.543 2.762 40 0 HFABRO [NH2+]=C(NC1=N[C@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1)Nc1ccccc1 ZINC000020799062 558415145 /nfs/dbraw/zinc/41/51/45/558415145.db2.gz SBODWCICKFFTJD-CQSZACIVSA-N 1 0 418.379 2.525 40 0 HFABRO C[C@H](C(=O)NC1CC[NH+](Cc2cc(-c3ccccc3F)nn2C)CC1)n1ccnc1 ZINC000019079951 558838919 /nfs/dbraw/zinc/83/89/19/558838919.db2.gz ACPZZZOQYSEPIB-MRXNPFEDSA-N 1 0 410.497 2.765 40 0 HFABRO Cc1cc(C)n2ncc(C[N@@H+]3C[C@@H](c4cccnc4)[C@]4(C3)CCCCC(=O)N4)c2n1 ZINC000019116594 558842086 /nfs/dbraw/zinc/84/20/86/558842086.db2.gz RKLFXSSWFJOESM-NZQKXSOJSA-N 1 0 404.518 2.770 40 0 HFABRO Cc1ccc2c(c1)C(=O)N(CC(=O)N[C@H]1CCCC[C@@H]1C)CC1(CC[NH+](C)CC1)O2 ZINC000019218565 558851117 /nfs/dbraw/zinc/85/11/17/558851117.db2.gz CGFCRNWESZICNR-ICSRJNTNSA-N 1 0 413.562 2.989 40 0 HFABRO Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)N[C@H](C)C(C)C)CC1(CC[NH+](C)CC1)O2 ZINC000019218394 558851202 /nfs/dbraw/zinc/85/12/02/558851202.db2.gz ZFRJTJCYEMQAQT-QZTJIDSGSA-N 1 0 401.551 2.843 40 0 HFABRO COc1cccc(-c2n[nH]cc2C[N@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2nccn2C)c1 ZINC000019291422 558863775 /nfs/dbraw/zinc/86/37/75/558863775.db2.gz KDUPLEOWWVFRDE-LIMIJEPZSA-N 1 0 407.518 2.939 40 0 HFABRO COc1cccc(CNC(=O)c2ccc3c(c2)nc2n(c3=O)CC[N@@H+](C(C)C)CC2)c1 ZINC000019448629 558887355 /nfs/dbraw/zinc/88/73/55/558887355.db2.gz ULPGYWTUOHISGQ-UHFFFAOYSA-N 1 0 420.513 2.602 40 0 HFABRO Cc1nn(-c2ccccc2)c2[nH]c(=O)c(C[NH2+]C[C@H]3COc4ccccc4O3)cc12 ZINC000057810343 558890603 /nfs/dbraw/zinc/89/06/03/558890603.db2.gz VYASZLDZUZCACK-SFHVURJKSA-N 1 0 402.454 2.952 40 0 HFABRO CCCn1ccc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)C[N@@H+](C(C)C)CC3)n1 ZINC000019526115 558907459 /nfs/dbraw/zinc/90/74/59/558907459.db2.gz MKTZWZGRWYIKQM-IBGZPJMESA-N 1 0 412.538 2.923 40 0 HFABRO COc1ccc(C[N@@H+]2CCc3nc(N4CCCC4)[nH]c(=O)c3CC2)cc1OC(F)F ZINC000019559774 558920877 /nfs/dbraw/zinc/92/08/77/558920877.db2.gz JUTDJAWOHKFXAU-UHFFFAOYSA-N 1 0 420.460 2.581 40 0 HFABRO COc1ccccc1C[N@@H+]1CCC[C@]2(C1)CN(S(C)(=O)=O)Cc1ccccc1O2 ZINC000019570399 558929322 /nfs/dbraw/zinc/92/93/22/558929322.db2.gz XMHAQJHNFJWLKM-QFIPXVFZSA-N 1 0 416.543 2.884 40 0 HFABRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cn(CC(=O)NC[C@@H]2CCCO2)c2ccccc12 ZINC000019575818 558932762 /nfs/dbraw/zinc/93/27/62/558932762.db2.gz ZTQDARNKWLARFX-JBACZVJFSA-N 1 0 410.562 2.605 40 0 HFABRO C[C@@]12CC[C@@H](C[C@@H]1C(=O)N1CC[N@@H+]3CCC[C@@H]3C1)[C@@]1(C2)Nc2ccccc2C(=O)N1 ZINC000072326511 558933610 /nfs/dbraw/zinc/93/36/10/558933610.db2.gz FAOJJDMFNZOAEQ-GHUGBGHDSA-N 1 0 408.546 2.671 40 0 HFABRO CC(C)NC(=O)[C@@H]1C[N@@H+]([C@H](C)Cc2ccccc2F)C[C@]12Cc1ccccc1C(=O)N2 ZINC000072334460 558935713 /nfs/dbraw/zinc/93/57/13/558935713.db2.gz SKFGWGMBEGWHKN-FTGWLVSGSA-N 1 0 423.532 2.938 40 0 HFABRO CN(Cc1ccc(CN2CC[NH+](CC3(c4ccccc4)CC3)CC2)o1)S(C)(=O)=O ZINC000019586431 558939419 /nfs/dbraw/zinc/93/94/19/558939419.db2.gz QHWAQOWMGHSSOS-UHFFFAOYSA-N 1 0 417.575 2.520 40 0 HFABRO C[NH+]1CCC(N(Cc2cccnc2)C(=O)c2ccccc2CN2CCOCC2)CC1 ZINC000019588166 558940068 /nfs/dbraw/zinc/94/00/68/558940068.db2.gz VGCBXJJLOSCLSQ-UHFFFAOYSA-N 1 0 408.546 2.650 40 0 HFABRO COc1ncc([C@@]2(O)CCC[C@@H]3C[N@H+](Cc4ccc(F)cc4F)C[C@@H]32)c(OC)n1 ZINC000072343013 558940637 /nfs/dbraw/zinc/94/06/37/558940637.db2.gz SFHFTUGTFJFNDS-JRQSSSKMSA-N 1 0 405.445 2.892 40 0 HFABRO COCCc1ncc(C[N@@H+]2CCC[C@@H](c3cc(=O)[nH]c(-c4cccs4)n3)C2)cn1 ZINC000019593846 558945173 /nfs/dbraw/zinc/94/51/73/558945173.db2.gz FFBKQRMWYDJBOU-MRXNPFEDSA-N 1 0 411.531 2.857 40 0 HFABRO COc1cc(C[N@@H+]2CCC[C@H](c3cc(=O)[nH]c(-c4cnccn4)n3)C2)cc(OC)c1 ZINC000019595107 558945768 /nfs/dbraw/zinc/94/57/68/558945768.db2.gz QJOVQFYDHITVMJ-INIZCTEOSA-N 1 0 407.474 2.624 40 0 HFABRO COc1cc(C[N@@H+]2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)ccc1OCC(N)=O ZINC000019658724 558950701 /nfs/dbraw/zinc/95/07/01/558950701.db2.gz RQNZPSPJEZZCJC-MRXNPFEDSA-N 1 0 408.502 2.890 40 0 HFABRO Cc1nc([C@H]2CCCN2C(=O)C[NH+]2CCCC2)nc2c1CCCN2Cc1ccccn1 ZINC000072372879 558960533 /nfs/dbraw/zinc/96/05/33/558960533.db2.gz QNHNWWMLOSMTSC-OAQYLSRUSA-N 1 0 420.561 2.892 40 0 HFABRO CNc1cc(Nc2nccc([C@@H]3CCC[N@H+](Cc4cccnc4NC)C3)n2)ncn1 ZINC000072378085 558967238 /nfs/dbraw/zinc/96/72/38/558967238.db2.gz JMDCQNYEZKOGNP-OAHLLOKOSA-N 1 0 405.510 2.868 40 0 HFABRO CC1(C)C(=O)NCCN1C(=O)c1ccc([C@@H]2CCC[N@H+](Cc3ccccc3F)C2)nc1 ZINC000019705985 558968475 /nfs/dbraw/zinc/96/84/75/558968475.db2.gz CPTYUSITVHRPCY-LJQANCHMSA-N 1 0 424.520 2.951 40 0 HFABRO O=C(COc1ccc(C[N@H+]2C[C@@H]3CC[C@@](O)(c4ccccn4)[C@@H]3C2)cc1)N1CCCC1 ZINC000072392552 558972164 /nfs/dbraw/zinc/97/21/64/558972164.db2.gz CYPQUNBYZVVWRU-HOKHCIIBSA-N 1 0 421.541 2.812 40 0 HFABRO COc1ncc([C@]2(O)CC[C@H]3C[N@H+](Cc4cccc5cccnc54)C[C@H]32)c(OC)n1 ZINC000072392596 558972426 /nfs/dbraw/zinc/97/24/26/558972426.db2.gz SDPDBYZLSYVUBU-XKDCRVNJSA-N 1 0 406.486 2.772 40 0 HFABRO CC(=O)N1Cc2ccccc2O[C@]2(CCCN(C(=O)[C@H]([NH3+])Cc3ccccc3)CC2)C1 ZINC000072394765 558973534 /nfs/dbraw/zinc/97/35/34/558973534.db2.gz RICIDVOPHLKHEU-RDGATRHJSA-N 1 0 421.541 2.749 40 0 HFABRO Cc1cncnc1N1CCC2(CC[C@H](CNC(=O)CC[NH+]3CCCCC3)OC2)CC1 ZINC000585101335 559024732 /nfs/dbraw/zinc/02/47/32/559024732.db2.gz YUZGJUTVDDJBPV-HXUWFJFHSA-N 1 0 415.582 2.543 40 0 HFABRO COc1ccc(F)c(C[N@H+]2C[C@H]3c4ccccc4[C@@H](NC(=O)C4CC(O)C4)[C@H]3C2)c1 ZINC000585109743 559029480 /nfs/dbraw/zinc/02/94/80/559029480.db2.gz NWNYAXSHBKKEME-YQGRKYAMSA-N 1 0 410.489 2.992 40 0 HFABRO CCN1CC[C@@]2(CN(C(=O)N(C)C)CC23CC[NH+](Cc2ccsc2)CC3)C1=O ZINC000096036571 559090448 /nfs/dbraw/zinc/09/04/48/559090448.db2.gz OSLDAQFXCFSBAP-OAQYLSRUSA-N 1 0 404.580 2.566 40 0 HFABRO CC[N@@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N(C)C)C1)CCN(C(=O)c1cccc(OC)c1)CC3 ZINC000096143876 559096272 /nfs/dbraw/zinc/09/62/72/559096272.db2.gz KQLYYQFNNHQRNF-GBXCKJPGSA-N 1 0 413.562 2.738 40 0 HFABRO CC(C)C[N@@H+]1CC2(CCN(C(=O)NCc3ccccc3)CC2)[C@@]2(CCN(C)C2=O)C1 ZINC000096144026 559096377 /nfs/dbraw/zinc/09/63/77/559096377.db2.gz IJXJOORYAKSDHA-DEOSSOPVSA-N 1 0 412.578 2.799 40 0 HFABRO COc1cccc(C[NH+]2CCC3(CC2)O[C@@H](C(=O)N2CCCCC2)Cn2ccnc23)c1 ZINC000096144801 559096890 /nfs/dbraw/zinc/09/68/90/559096890.db2.gz BHVFCMLKEJVMIN-OAQYLSRUSA-N 1 0 424.545 2.794 40 0 HFABRO C[N@@H+]1CC[C@@]2(C(=O)Nc3ccccc3)CCN(S(=O)(=O)c3ccccc3)CC[C@@H]12 ZINC000096145280 559097258 /nfs/dbraw/zinc/09/72/58/559097258.db2.gz ZTMNNLDFXIOYHJ-IFMALSPDSA-N 1 0 413.543 2.800 40 0 HFABRO C[C@@H]1CN(C(=O)c2ccc3nnc([C@@H]4CC[N@H+](Cc5ccccc5)C4)n3c2)C[C@@H](C)O1 ZINC000096156174 559100277 /nfs/dbraw/zinc/10/02/77/559100277.db2.gz JHWLUCMKLCBTBB-QWFCFKBJSA-N 1 0 419.529 2.968 40 0 HFABRO COc1ccc(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@H+](CC2CCOCC2)C3)cc1 ZINC000096215464 559101734 /nfs/dbraw/zinc/10/17/34/559101734.db2.gz NNUOTGMFXQLPKF-NRFANRHFSA-N 1 0 408.564 2.598 40 0 HFABRO Cc1ncccc1NC(=O)[C@H]1Cn2ccnc2C2(CC[NH+](Cc3ccccn3)CC2)O1 ZINC000096243878 559105008 /nfs/dbraw/zinc/10/50/08/559105008.db2.gz PFGMCMKYZVRZME-HXUWFJFHSA-N 1 0 418.501 2.510 40 0 HFABRO COCCOc1cc(C[N@H+](C)C[C@@H](O)COc2ccc(OC)cc2)ccc1OC ZINC000585262512 559111026 /nfs/dbraw/zinc/11/10/26/559111026.db2.gz HYLUUUBMOZEBMU-GOSISDBHSA-N 1 0 405.491 2.601 40 0 HFABRO O[C@@]1(C[NH2+]Cc2ccc(OCc3ccccn3)cc2)CCN(c2ccc(F)cn2)C1 ZINC000585270050 559116324 /nfs/dbraw/zinc/11/63/24/559116324.db2.gz CZSRVZMFFJJBQI-HSZRJFAPSA-N 1 0 408.477 2.926 40 0 HFABRO COc1cccc(N2CCC(O)(C[N@@H+]3CCCC[C@@H]4[C@H]3CCN4C(C)=O)CC2)c1 ZINC000585282985 559120336 /nfs/dbraw/zinc/12/03/36/559120336.db2.gz LIPUKAULSYUGRT-FGZHOGPDSA-N 1 0 401.551 2.502 40 0 HFABRO CC(=O)N1CCCC[C@H]2C[N@H+](CC3(O)CCN(c4ccc(F)cc4)CC3)CC[C@H]21 ZINC000585283833 559120825 /nfs/dbraw/zinc/12/08/25/559120825.db2.gz PBLZQYXGFHEPIH-SIKLNZKXSA-N 1 0 403.542 2.880 40 0 HFABRO O=C(c1ccc(Cl)cc1)N1CC[C@H](O)[C@@](O)(C[NH2+]Cc2cccc(Cl)c2)C1 ZINC000585284591 559121320 /nfs/dbraw/zinc/12/13/20/559121320.db2.gz LZXGIGJYUXRFJG-AZUAARDMSA-N 1 0 409.313 2.721 40 0 HFABRO CCC(=O)N1CCC[C@H](c2cc3nc4c(c(=O)n3[n-]2)C[N@H+](Cc2ccncc2)CC4)C1 ZINC000100233659 559132681 /nfs/dbraw/zinc/13/26/81/559132681.db2.gz BWBHQSRCXIVSLF-KRWDZBQOSA-N 1 0 420.517 2.504 40 0 HFABRO CCC(=O)N1CCC[C@@H](c2cc3nc4c(c(=O)n3[n-]2)C[N@H+](Cc2ccncc2)CC4)C1 ZINC000100233663 559132714 /nfs/dbraw/zinc/13/27/14/559132714.db2.gz BWBHQSRCXIVSLF-QGZVFWFLSA-N 1 0 420.517 2.504 40 0 HFABRO C[N@@H+](Cc1ccc(OCCO)cc1)C[C@H](O)Cn1c2ccccc2nc1C(F)(F)F ZINC000257281815 559285310 /nfs/dbraw/zinc/28/53/10/559285310.db2.gz ORCUFQJPQVXPEA-INIZCTEOSA-N 1 0 423.435 2.919 40 0 HFABRO CC1CCN(C(=O)CSc2nnc(-c3ccncc3)n2CCC[NH+](C)C)CC1 ZINC000004130369 560599538 /nfs/dbraw/zinc/59/95/38/560599538.db2.gz SMIDCBLSRBYBBB-UHFFFAOYSA-N 1 0 402.568 2.642 40 0 HFABRO COc1ccc([C@H]2[C@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2ccccc2)cc1 ZINC000409056423 560670346 /nfs/dbraw/zinc/67/03/46/560670346.db2.gz RGNGCUPMEQDHQK-NXTBZVMJSA-O 1 0 418.448 2.850 40 0 HFABRO CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCCCC1)c1cc(Cl)cc(Cl)c1 ZINC000010277991 560766474 /nfs/dbraw/zinc/76/64/74/560766474.db2.gz UZDHPVWJSOPZAI-UHFFFAOYSA-N 1 0 422.378 2.752 40 0 HFABRO CC1CC[NH+](CCCNC(=O)CN(c2cccc3ccccc32)S(C)(=O)=O)CC1 ZINC000010540616 560769855 /nfs/dbraw/zinc/76/98/55/560769855.db2.gz DOFLZQKNTBEZDQ-UHFFFAOYSA-N 1 0 417.575 2.844 40 0 HFABRO C[C@H](C(=O)NCCC[NH+]1CCC(C)CC1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000010540804 560769859 /nfs/dbraw/zinc/76/98/59/560769859.db2.gz JNTOGGBUIHYCJB-MRXNPFEDSA-N 1 0 415.987 2.733 40 0 HFABRO CCOc1c(Br)cc(Br)cc1CNCC[NH2+]C[C@H](C)O ZINC000022074855 568473917 /nfs/dbraw/zinc/47/39/17/568473917.db2.gz BGEOQXMGOGKLFA-JTQLQIEISA-N 1 0 410.150 2.670 40 0 HFABRO CCOC[C@@]1(C[NH3+])[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218169783 568475990 /nfs/dbraw/zinc/47/59/90/568475990.db2.gz OUSLNOBMRLNRBX-HKBOAZHASA-N 1 0 403.500 2.645 40 0 HFABRO CC(C)(C)CC[NH2+][C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(COc2ccccc2)n1 ZINC000604382189 568489384 /nfs/dbraw/zinc/48/93/84/568489384.db2.gz JNQMGNUNFNWSLT-GXRSIYKFSA-N 1 0 413.562 2.982 40 0 biogenic,in-vitro HFABRO CN(c1ccc(C(=O)NCCC[NH+]2CCCC2)cc1)S(=O)(=O)c1cccs1 ZINC000224184710 568572941 /nfs/dbraw/zinc/57/29/41/568572941.db2.gz BNTHWJSAALMDFA-UHFFFAOYSA-N 1 0 407.561 2.789 40 0 HFABRO CCN(c1ccc(C(=O)NC2CC[NH+](C)CC2)cc1)S(=O)(=O)c1ccccc1 ZINC000224366943 568579371 /nfs/dbraw/zinc/57/93/71/568579371.db2.gz KTDCXWPFAGRWAK-UHFFFAOYSA-N 1 0 401.532 2.726 40 0 HFABRO CCN(Cc1ccc(C(=O)N2CCN(CC)CC2)cc1)S(=O)(=O)c1ccccc1 ZINC000224448661 568581533 /nfs/dbraw/zinc/58/15/33/568581533.db2.gz LTWCMLBSRGSCPR-UHFFFAOYSA-N 1 0 415.559 2.675 40 0 HFABRO COC(=O)c1ccc(C)c(S(=O)(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000224636937 568589968 /nfs/dbraw/zinc/58/99/68/568589968.db2.gz UJLMMLXIVAZDBC-UHFFFAOYSA-N 1 0 402.516 2.856 40 0 HFABRO Cc1c(NS(C)(=O)=O)cccc1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000224777173 568596471 /nfs/dbraw/zinc/59/64/71/568596471.db2.gz GVQKQTWXSOTILJ-UHFFFAOYSA-N 1 0 401.532 2.892 40 0 HFABRO CS(=O)(=O)N(CC(=O)NCc1ccccc1C[NH+]1CCCCC1)c1ccccc1 ZINC000224813236 568598365 /nfs/dbraw/zinc/59/83/65/568598365.db2.gz CBJNMBMUVZIOKT-UHFFFAOYSA-N 1 0 415.559 2.755 40 0 HFABRO CCOC(=O)[C@@]1(C[NH3+])[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(OC)cc1 ZINC000242473210 568598774 /nfs/dbraw/zinc/59/87/74/568598774.db2.gz FBULYROZECUSEK-QWFCFKBJSA-N 1 0 423.918 2.797 40 0 HFABRO Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(Br)cc3)[C@]2(C[NH3+])CO)cc1 ZINC000242495425 568738009 /nfs/dbraw/zinc/73/80/09/568738009.db2.gz GFDFATLUFGQKDN-KURKYZTESA-N 1 0 410.333 2.635 40 0 HFABRO Cc1ccccc1N(CCCC(=O)NCCC[N@H+]1CCC[C@H](C)C1)S(C)(=O)=O ZINC000260764778 568738033 /nfs/dbraw/zinc/73/80/33/568738033.db2.gz MJGOGHIEENFBHM-SFHVURJKSA-N 1 0 409.596 2.779 40 0 HFABRO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCC[NH+]3CCC(C)CC3)C2)cc1 ZINC000260913047 568743461 /nfs/dbraw/zinc/74/34/61/568743461.db2.gz ZTUFDQJAECRERX-FQEVSTJZSA-N 1 0 421.607 2.634 40 0 HFABRO O=C(NCCn1nc([C@@H]2CCC[N@H+](Cc3ccncc3)C2)c2cccnc21)C1CC1 ZINC000257204573 568777561 /nfs/dbraw/zinc/77/75/61/568777561.db2.gz AVGHVQGKTUAPTI-LJQANCHMSA-N 1 0 404.518 2.732 40 0 HFABRO CNc1nc([C@@H]2CCN(C(C)=O)C2)nc2c1CN(Cc1ccc3ncccc3c1)CC2 ZINC000257229468 568784773 /nfs/dbraw/zinc/78/47/73/568784773.db2.gz FYFYYTQYKMCQAC-LJQANCHMSA-N 1 0 416.529 2.961 40 0 HFABRO Cc1cc(Nc2cc(C[C@@H]3CCCN(C(=O)C4(C)CC[NH2+]CC4)C3)nc(C)n2)n[nH]1 ZINC000257240841 568787649 /nfs/dbraw/zinc/78/76/49/568787649.db2.gz HVJRMIHGQUNWAY-KRWDZBQOSA-N 1 0 411.554 2.731 40 0 HFABRO Cc1nc2cc([C@@H]3CCC[N@@H+]3CC3CC3)nn2c(C)c1CCC(=O)N1CCOCC1 ZINC000257335846 568814750 /nfs/dbraw/zinc/81/47/50/568814750.db2.gz YMDBKGPNRGELAK-NRFANRHFSA-N 1 0 411.550 2.684 40 0 HFABRO Cc1nc2cc([C@H]3CCC[N@@H+]3CC3CC3)nn2c(C)c1CCC(=O)N1CCOCC1 ZINC000257335847 568815062 /nfs/dbraw/zinc/81/50/62/568815062.db2.gz YMDBKGPNRGELAK-OAQYLSRUSA-N 1 0 411.550 2.684 40 0 HFABRO COC[C@]1(C[NH3+])[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218217160 568836350 /nfs/dbraw/zinc/83/63/50/568836350.db2.gz WHDXJJAXFNAVHT-FGTMMUONSA-N 1 0 410.333 2.980 40 0 HFABRO O=C(NCc1ccccc1)c1nnc2n1C[C@@H]1C[N@@H+](Cc3cccc(F)c3)C[C@H]1C2 ZINC000306125479 568888127 /nfs/dbraw/zinc/88/81/27/568888127.db2.gz CSFQLXMSXQGMIU-MOPGFXCFSA-N 1 0 405.477 2.652 40 0 HFABRO Cc1ccc(C[N@H+]2C[C@H]3Cc4nnc(C(=O)NCc5ccccc5)n4C[C@@H]3C2)s1 ZINC000306126270 568888865 /nfs/dbraw/zinc/88/88/65/568888865.db2.gz DRDZGKMFGMDDLF-MSOLQXFVSA-N 1 0 407.543 2.882 40 0 HFABRO O=S(=O)(NC[C@@H]1CC2(CC[NH+](C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)O1)c1ccccc1 ZINC000306127355 568890287 /nfs/dbraw/zinc/89/02/87/568890287.db2.gz FWOUZHCSKJGETL-WCIQWLHISA-N 1 0 402.560 2.801 40 0 HFABRO Cc1c(F)cccc1C[N@@H+]1C[C@H]2Cn3cc(C(=O)NC4CCCCC4)c(=O)nc3[C@@H]2C1 ZINC000306128143 568891042 /nfs/dbraw/zinc/89/10/42/568891042.db2.gz GRHQVUGYRHNTSR-PKOBYXMFSA-N 1 0 424.520 2.983 40 0 HFABRO Cn1nccc1-c1ccc2nnc(C3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)n2n1 ZINC000306131689 568893997 /nfs/dbraw/zinc/89/39/97/568893997.db2.gz KMRAKCFKYVMEGS-UHFFFAOYSA-N 1 0 417.473 2.633 40 0 HFABRO Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@H]2C[N@@H+](Cc4cc(C)cc(C)c4)C[C@H]32)cc1 ZINC000306132658 568894733 /nfs/dbraw/zinc/89/47/33/568894733.db2.gz LONFCZPWDJXBPI-YADHBBJMSA-N 1 0 416.525 2.608 40 0 HFABRO CC(C)NC(=O)N1C[C@H]2CC[C@H](CNC(=O)c3cccnc3)[N@@H+]2Cc2ccccc21 ZINC000306138195 568900143 /nfs/dbraw/zinc/90/01/43/568900143.db2.gz RSCSVHFQFOKRSC-WOJBJXKFSA-N 1 0 407.518 2.783 40 0 HFABRO O=C1N(Cc2cccnc2)CCO[C@]12C[N@H+](Cc1cccs1)C[C@@H]2c1cccnc1 ZINC000306138236 568900182 /nfs/dbraw/zinc/90/01/82/568900182.db2.gz RSXRIJIMUMDSEM-GGAORHGYSA-N 1 0 420.538 2.935 40 0 HFABRO Cn1cc(C(=O)N2CCO[C@]3(CCCC[C@@H]3[NH+]3CCCC3)C2)c(=O)c2ccccc21 ZINC000306143586 568905013 /nfs/dbraw/zinc/90/50/13/568905013.db2.gz YGJZWUDEQKDDHB-XUZZJYLKSA-N 1 0 409.530 2.788 40 0 HFABRO CC(C)(C)OC(=O)N[C@]1(C[NH3+])[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218037217 568924650 /nfs/dbraw/zinc/92/46/50/568924650.db2.gz CYPPSCAOSORZEQ-BBTUJRGHSA-N 1 0 402.516 2.849 40 0 HFABRO CC(C)(C)OC(=O)N[C@]1(C[NH3+])[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218657505 568942683 /nfs/dbraw/zinc/94/26/83/568942683.db2.gz IDDWGOGVDCIUJZ-LVCYWYKZSA-N 1 0 420.506 2.988 40 0 HFABRO C[NH+](C)CCNc1nc(Nc2ccc(Br)c(F)c2)cc(C(F)(F)F)n1 ZINC000328963468 568969837 /nfs/dbraw/zinc/96/98/37/568969837.db2.gz BOKGDQHDNBUCCA-UHFFFAOYSA-N 1 0 422.224 2.958 40 0 HFABRO CCOC[C@]1(C[NH3+])[C@@H](c2ccc3c(c2)OCO3)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000242701667 568970134 /nfs/dbraw/zinc/97/01/34/568970134.db2.gz WITKHYUWSAJNMU-XUVXKRRUSA-N 1 0 423.918 2.990 40 0 HFABRO CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCSC)[NH2+][C@]21C(=O)Nc2c1cccc2Cl ZINC000016025110 569026250 /nfs/dbraw/zinc/02/62/50/569026250.db2.gz XMNCZZGJRFMWAK-GIDBNXFQSA-N 1 0 421.950 2.612 40 0 HFABRO CCc1ccc2[nH]c(=O)c(CN(CCCO)Cc3nnnn3C3CCCC3)cc2c1 ZINC000057640312 569053745 /nfs/dbraw/zinc/05/37/45/569053745.db2.gz GQMXGIQOJPQVEZ-UHFFFAOYSA-N 1 0 410.522 2.577 40 0 HFABRO C[C@@H]1Oc2ccccc2O[C@H]1C[NH+]1CCC2(CC1)C(=O)N(C)CN2c1ccccc1 ZINC000095869982 569069945 /nfs/dbraw/zinc/06/99/45/569069945.db2.gz XCURAXQEILSZCX-AVRDEDQJSA-N 1 0 407.514 2.986 40 0 HFABRO C[C@@H](C(=O)NCCC[NH+]1CCCCCC1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000010111224 569342877 /nfs/dbraw/zinc/34/28/77/569342877.db2.gz HQZXPYFYHACLFU-INIZCTEOSA-N 1 0 415.987 2.877 40 0 HFABRO CCC[NH+]1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)CCC3CCCC3)C1)C2=O ZINC000019700028 569347128 /nfs/dbraw/zinc/34/71/28/569347128.db2.gz DVMQMWNOZYZMJX-IBGZPJMESA-N 1 0 418.582 2.744 40 0 HFABRO CCN(C(=O)CN1CCC[C@H](c2nc(C[NH2+]C)cc(N(C)C)n2)C1)c1cccc(C)c1 ZINC000019709636 569348095 /nfs/dbraw/zinc/34/80/95/569348095.db2.gz CSXUHZXYBOGJAB-IBGZPJMESA-N 1 0 424.593 2.803 40 0 HFABRO [NH3+][C@]1(CO)[C@@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000252514327 569387951 /nfs/dbraw/zinc/38/79/51/569387951.db2.gz CJEHKWYEIGCAAD-ARFHVFGLSA-N 1 0 416.724 2.732 40 0 HFABRO CCOC(=O)[C@]1(C[NH3+])[C@@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000252516693 569388076 /nfs/dbraw/zinc/38/80/76/569388076.db2.gz VYIBRQWTSZPVGD-YQVWRLOYSA-N 1 0 411.882 2.927 40 0 HFABRO C[NH+](C)CCNc1nc(-c2ccncc2)cc(=NNc2c(F)c(F)cc(F)c2F)[nH]1 ZINC000328995272 571304665 /nfs/dbraw/zinc/30/46/65/571304665.db2.gz JHYBCJOFMAZEOT-UHFFFAOYSA-N 1 0 421.402 3.508 40 0 HFABRO CC(=O)N1CCCN(C(=O)[C@@H]2Cc3cn(C)c4cccc(c34)[C@H](CC(C)C)[NH2+]2)CC1 ZINC000049171474 291215239 /nfs/dbraw/zinc/21/52/39/291215239.db2.gz VOGLGEZJVPOOJM-SFTDATJTSA-N 1 0 410.562 2.861 40 0 biogenic,in-vitro HFABRO COC1=C(C)C(=O)O/C1=C1\O[C@@H]2CCC[N@H+]3[C@@H](CC[C@H]3[C@@H]3C[C@H](C)C(=O)O3)[C@H]2[C@@H]1C ZINC000033833402 291221631 /nfs/dbraw/zinc/22/16/31/291221631.db2.gz JDGNFRYDHRYXNL-ROHJGGRPSA-N 1 0 417.502 2.905 40 0 biogenic,in-vitro HFABRO COC(=O)c1ccc2c(c1)nc1n2[C@@H](C[NH2+]Cc2nc3ccccc3n2C)COC1 ZINC000096112755 291221639 /nfs/dbraw/zinc/22/16/39/291221639.db2.gz MZEGTKXGBQPJOC-HNNXBMFYSA-N 1 0 405.458 2.571 40 0 biogenic,in-vitro HFABRO COCCC(=O)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2C[N@@H+](CCCc2ccccc2)C1 ZINC000004236237 291221954 /nfs/dbraw/zinc/22/19/54/291221954.db2.gz LLAIZKGVYOJYMP-VQTJNVASSA-N 1 0 409.530 2.875 40 0 biogenic,in-vitro HFABRO O=S(=O)(NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2CN1CCc2ccccc21)c1ccccc1 ZINC000008635722 291230130 /nfs/dbraw/zinc/23/01/30/291230130.db2.gz FYTRNYKTXLVSQS-PWRODBHTSA-N 1 0 411.571 2.738 40 0 biogenic,in-vitro HFABRO CCS(=O)(=O)Nc1ccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000044872115 521684624 /nfs/dbraw/zinc/68/46/24/521684624.db2.gz YJLCJSPBPLOMRH-UHFFFAOYSA-N 1 0 401.532 2.974 40 0 HFABRO C[C@@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000044857321 524204778 /nfs/dbraw/zinc/20/47/78/524204778.db2.gz JPSJNNMLQQFUJO-SFHVURJKSA-N 1 0 415.559 2.753 40 0 HFABRO CS(=O)(=O)N(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1cccc(F)c1 ZINC000044857357 525149984 /nfs/dbraw/zinc/14/99/84/525149984.db2.gz XJIFMYVICXYKSO-UHFFFAOYSA-N 1 0 419.522 2.504 40 0 HFABRO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)COc2ccc(C)c(C)c2)c1 ZINC000408570624 557467583 /nfs/dbraw/zinc/46/75/83/557467583.db2.gz XFMKITQVJOHAEP-UHFFFAOYSA-N 1 0 411.502 2.859 40 0 HFABRO CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccccc1)[NH2+][C@@]21C(=O)Nc2ccc(F)cc21 ZINC000035375271 557531532 /nfs/dbraw/zinc/53/15/32/557531532.db2.gz NJGAUVRUGGJWAC-ITIYDSSPSA-N 1 0 421.472 2.587 40 0 HFABRO C[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)[C@@H]1C ZINC000036719612 557850067 /nfs/dbraw/zinc/85/00/67/557850067.db2.gz BSYPWKCGXZDDHV-QRVBRYPASA-N 1 0 400.567 2.796 40 0 HFABRO COC[C@@H](O)C[NH2+]Cc1cc2c(-c3cccc(F)c3)nn(-c3ccccc3)c2[nH]c1=O ZINC000012146451 558337882 /nfs/dbraw/zinc/33/78/82/558337882.db2.gz MQSNWVHIVFCMOO-IBGZPJMESA-N 1 0 422.460 2.617 40 0 HFABRO Oc1ccc2c(c1)[C@@H](O)CC1(CC[NH+](C[C@H](O)c3ccc4c(c3)OCCO4)CC1)O2 ZINC000012329360 558384023 /nfs/dbraw/zinc/38/40/23/558384023.db2.gz HXWDHHGYIQZJAL-OALUTQOASA-N 1 0 413.470 2.548 40 0 HFABRO CCOC(=O)C1=C(O)NC(N2CCN(c3ccccc3)CC2)=[NH+][C@@H]1c1ccc(C)cc1 ZINC000020637189 558396387 /nfs/dbraw/zinc/39/63/87/558396387.db2.gz IZJSJUGWVYAWQP-LEWJYISDSA-N 1 0 420.513 2.523 40 0 HFABRO CCOC(=O)C1=C(O)NC(N2CCN(c3ccccc3)CC2)=[NH+][C@H]1c1cccc(C)c1 ZINC000020801409 558415296 /nfs/dbraw/zinc/41/52/96/558415296.db2.gz OHRMUNGSBUFMIO-RTWAWAEBSA-N 1 0 420.513 2.523 40 0 HFABRO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)C2)cc1 ZINC000022258756 558474902 /nfs/dbraw/zinc/47/49/02/558474902.db2.gz IOECCPIAUNDBIX-KRWDZBQOSA-N 1 0 421.607 2.821 40 0 HFABRO Cc1c(Cl)cccc1N(CC(=O)NCCC[NH+]1CCCCCC1)S(C)(=O)=O ZINC000013612792 558548980 /nfs/dbraw/zinc/54/89/80/558548980.db2.gz BCCYGQCRDJOBHM-UHFFFAOYSA-N 1 0 415.987 2.797 40 0 HFABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+](C)C)c2cccc(C)c2)cc1 ZINC000013646974 558557069 /nfs/dbraw/zinc/55/70/69/558557069.db2.gz DUOARCQFYYIDDI-UHFFFAOYSA-N 1 0 403.548 2.567 40 0 HFABRO CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCCCCC1)c1ccc(F)c(Cl)c1 ZINC000013667634 558560178 /nfs/dbraw/zinc/56/01/78/558560178.db2.gz KWRSKZJUPKNQCX-UHFFFAOYSA-N 1 0 419.950 2.627 40 0 HFABRO CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCCCC1)c1cc(Cl)ccc1Cl ZINC000013675051 558563980 /nfs/dbraw/zinc/56/39/80/558563980.db2.gz ZAGBXMAVAXAZJY-UHFFFAOYSA-N 1 0 422.378 2.752 40 0 HFABRO CC[C@@H](C(=O)NCC[NH+]1CCCCCC1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013715033 558578546 /nfs/dbraw/zinc/57/85/46/558578546.db2.gz ZZZWHRPDSRHTGV-SFHVURJKSA-N 1 0 415.987 2.877 40 0 HFABRO CC[C@@H](C)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1([NH2+][C@H]2CC(C)C)C(=O)Nc2c1cccc2Cl ZINC000035877132 558795629 /nfs/dbraw/zinc/79/56/29/558795629.db2.gz SGNGLVARWSWUSU-DPGRJMCKSA-N 1 0 403.910 2.905 40 0 HFABRO Cc1ccc2c(c1)C(=O)N(CC(=O)N[C@@H]1CCCC[C@@H]1C)CC1(CC[NH+](C)CC1)O2 ZINC000019218571 558851179 /nfs/dbraw/zinc/85/11/79/558851179.db2.gz CGFCRNWESZICNR-AZUAARDMSA-N 1 0 413.562 2.989 40 0 HFABRO COc1ccc([C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]2c2cc(=O)[nH]c(C)n2)cc1 ZINC000019285471 558859953 /nfs/dbraw/zinc/85/99/53/558859953.db2.gz HALSHUWKHFXBEW-LEWJYISDSA-N 1 0 424.545 2.528 40 0 HFABRO O=c1cc([C@@H]2CC[N@@H+](Cc3cccc(Cl)c3Cl)C2)nc(N2CCOCC2)[nH]1 ZINC000019292609 558864542 /nfs/dbraw/zinc/86/45/42/558864542.db2.gz NGRRAISCSPATEA-CYBMUJFWSA-N 1 0 409.317 2.903 40 0 HFABRO O=C(Cc1ccc(F)cc1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)C[N@@H+](C2CCCC2)CC3)C1 ZINC000019333182 558868939 /nfs/dbraw/zinc/86/89/39/558868939.db2.gz XRQHOUFLYWIHHM-QGZVFWFLSA-N 1 0 424.520 2.768 40 0 HFABRO O=C(Cc1ccccc1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](C2CCCC2)C3)C1 ZINC000019370108 558878142 /nfs/dbraw/zinc/87/81/42/558878142.db2.gz PGPNKPYMVIHMHI-GOSISDBHSA-N 1 0 406.530 2.629 40 0 HFABRO CC(C)[N@@H+]1CCc2nc([C@@H]3CCCN3C(=O)Cc3cc(F)ccc3F)[nH]c(=O)c2C1 ZINC000019448245 558887188 /nfs/dbraw/zinc/88/71/88/558887188.db2.gz RHYIUWJFZMMBFT-IBGZPJMESA-N 1 0 416.472 2.721 40 0 HFABRO CC(C)c1cc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)C[N@H+](C(C)C)CC3)[nH]n1 ZINC000019451839 558889920 /nfs/dbraw/zinc/88/99/20/558889920.db2.gz FAMAZUJQSQWWGI-IBGZPJMESA-N 1 0 412.538 2.750 40 0 HFABRO CCCC(=O)N1CC[C@H](c2nc3c(c(=O)[nH]2)C[N@H+](Cc2ccccc2OC)CC3)C1 ZINC000019501125 558898931 /nfs/dbraw/zinc/89/89/31/558898931.db2.gz LFCLFRRBCNJCSV-KRWDZBQOSA-N 1 0 410.518 2.865 40 0 HFABRO CCn1cc(C(=O)N2CC[C@H](c3nc4c(c(=O)[nH]3)CC[N@@H+](C3CCCCC3)C4)C2)cn1 ZINC000019524858 558906067 /nfs/dbraw/zinc/90/60/67/558906067.db2.gz GLKDNCOHXIMQKZ-INIZCTEOSA-N 1 0 424.549 2.719 40 0 HFABRO COc1cc(C[N@@H+]2CC[C@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)cc(OC)c1OC ZINC000019549684 558914404 /nfs/dbraw/zinc/91/44/04/558914404.db2.gz ODIQBJYSFQPGKZ-KRWDZBQOSA-N 1 0 422.485 2.847 40 0 HFABRO Cc1noc(C)c1CC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](C(C)C)CC2 ZINC000019580394 558936084 /nfs/dbraw/zinc/93/60/84/558936084.db2.gz XFTNJLOPEHSXCO-LJQANCHMSA-N 1 0 413.522 2.850 40 0 HFABRO COc1ccc(-c2cnc(N)nc2[C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)cc1 ZINC000072346254 558943062 /nfs/dbraw/zinc/94/30/62/558943062.db2.gz GVSOLXVUEZCEPA-SFHVURJKSA-N 1 0 409.534 2.782 40 0 HFABRO COCCNC(=O)c1cc([C@H]2CCC[N@H+](Cc3ccc4cccc(OC)c4n3)C2)no1 ZINC000019593542 558944617 /nfs/dbraw/zinc/94/46/17/558944617.db2.gz RWOOXNZGDYCWCV-KRWDZBQOSA-N 1 0 424.501 2.987 40 0 HFABRO CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCCC[NH+]2CCCC2)c1 ZINC000061238652 558944957 /nfs/dbraw/zinc/94/49/57/558944957.db2.gz JAKWNBLCGFPUBR-UHFFFAOYSA-N 1 0 401.532 2.727 40 0 HFABRO Cc1nc([C@H]2CCN(C(=O)C[NH+](C)C)C2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000072351967 558948097 /nfs/dbraw/zinc/94/80/97/558948097.db2.gz LZYZYLBNUJIXEV-AWEZNQCLSA-N 1 0 401.898 2.568 40 0 HFABRO COc1ccc(CN(C(=O)c2cc(C(C)C)c3nncn3n2)C2CC[NH+](C)CC2)cc1 ZINC000019662894 558953850 /nfs/dbraw/zinc/95/38/50/558953850.db2.gz PFGBJNXWQPYMMV-UHFFFAOYSA-N 1 0 422.533 2.993 40 0 HFABRO Cc1cc(NCCNC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)c2ccccc2[nH+]1 ZINC000019664936 558955196 /nfs/dbraw/zinc/95/51/96/558955196.db2.gz TYEVJWCXUHOBTP-UHFFFAOYSA-N 1 0 423.517 2.572 40 0 HFABRO CNC(=O)c1ccc(-c2ccc(C3CCN(C(=O)[C@H](C)[NH+]4CCCC4)CC3)nc2)cn1 ZINC000019689104 558958543 /nfs/dbraw/zinc/95/85/43/558958543.db2.gz XOJQXVJJAOHGEF-KRWDZBQOSA-N 1 0 421.545 2.694 40 0 HFABRO Cc1cccc(Nc2ccc(C3CC[NH+](CCC(=O)N4CCOCC4)CC3)nc2)n1 ZINC000072374183 558961447 /nfs/dbraw/zinc/96/14/47/558961447.db2.gz QBSJOYNIKCIWRN-UHFFFAOYSA-N 1 0 409.534 2.957 40 0 HFABRO CNc1nc([C@@H]2CCC[N@H+](C)C2)nc2c1CCN(C(=O)CCc1ccccc1OC)C2 ZINC000019708840 558971522 /nfs/dbraw/zinc/97/15/22/558971522.db2.gz QKODWCVMKQDYCR-GOSISDBHSA-N 1 0 423.561 2.854 40 0 HFABRO CC(=O)N1CCc2nc(C3CC[NH+](C)CC3)nc(NCCOc3ccccc3C)c2C1 ZINC000019710446 558972411 /nfs/dbraw/zinc/97/24/11/558972411.db2.gz XFUYWJKXPQEEMZ-UHFFFAOYSA-N 1 0 423.561 2.990 40 0 HFABRO COc1ccccc1CNc1nc([C@H]2CCC[N@H+](C)C2)nc2c1CN(C(C)=O)CC2 ZINC000019711326 558973712 /nfs/dbraw/zinc/97/37/12/558973712.db2.gz GAOJSMLPFOXGDU-SFHVURJKSA-N 1 0 409.534 2.811 40 0 HFABRO O=C(CN1CCOCC1)N1CCC[C@]2(CCC[N@H+]2Cc2cc(F)ccc2F)CC1 ZINC000585100387 559024033 /nfs/dbraw/zinc/02/40/33/559024033.db2.gz KRSNAWVJMXZRMB-QFIPXVFZSA-N 1 0 407.505 2.644 40 0 HFABRO CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc(N(C)C)cc2)CC1 ZINC000585106253 559028573 /nfs/dbraw/zinc/02/85/73/559028573.db2.gz IHWZGTVHMPTNEF-WMQCIHAUSA-N 1 0 412.578 2.594 40 0 HFABRO Cc1ccc(C[NH+]2CCC3(CC2)O[C@@H](C(=O)NCC(C)C)Cn2ccnc23)s1 ZINC000096036773 559090583 /nfs/dbraw/zinc/09/05/83/559090583.db2.gz ORVQJJPLBZSFOY-GOSISDBHSA-N 1 0 402.564 2.915 40 0 HFABRO CC(=O)N1CCn2c(-c3cnn(C)c3)cnc2C12CC[NH+](Cc1cccs1)CC2 ZINC000096036932 559090738 /nfs/dbraw/zinc/09/07/38/559090738.db2.gz MMEVRDBLHMUYHH-UHFFFAOYSA-N 1 0 410.547 2.699 40 0 HFABRO CN1CC[NH+](C[C@@H]2CO[C@@]3(C2)CCCN(C(=O)c2ccc(-n4cccc4)cc2)C3)CC1 ZINC000096228437 559102683 /nfs/dbraw/zinc/10/26/83/559102683.db2.gz HTKWONGZAQDBLJ-PXDATVDWSA-N 1 0 422.573 2.736 40 0 HFABRO CC(C)C[N@@H+]1C[C@@H]2C(=O)N(C)C3(CCN(C(=O)c4cccc(Cl)c4)CC3)[C@@H]2C1 ZINC000096262214 559106386 /nfs/dbraw/zinc/10/63/86/559106386.db2.gz PMTBGGUBSGBUSN-RBUKOAKNSA-N 1 0 403.954 2.991 40 0 HFABRO O=C(Nc1ccccc1)N1CCC2(C[N@H+](Cc3cccnc3)C[C@@]23CCNC3=O)CC1 ZINC000096262536 559106543 /nfs/dbraw/zinc/10/65/43/559106543.db2.gz KPTSGRDMBUSPHX-XMMPIXPASA-N 1 0 419.529 2.718 40 0 HFABRO O=C(NCC1CCOCC1)c1ccc2nnc([C@@H]3CC[N@H+](Cc4ccccc4)C3)n2c1 ZINC000096267507 559108198 /nfs/dbraw/zinc/10/81/98/559108198.db2.gz NOFOIVYWNKRBMZ-HXUWFJFHSA-N 1 0 419.529 2.875 40 0 HFABRO CCOCCOc1ccc(CN2C[C@H](O)[C@@H]([N@H+](C)Cc3ccc(OC)cc3)C2)cc1 ZINC000585269973 559116129 /nfs/dbraw/zinc/11/61/29/559116129.db2.gz RZDBZZYMUMLLOQ-ZEQRLZLVSA-N 1 0 414.546 2.788 40 0 HFABRO COCC(=O)N1CC[N@@H+](C2CCCCCC2)C[C@@](O)(COc2ccc(C)c(C)c2)C1 ZINC000585282697 559120189 /nfs/dbraw/zinc/12/01/89/559120189.db2.gz NACRVPLXGFPNKQ-DEOSSOPVSA-N 1 0 418.578 2.927 40 0 HFABRO CC(C)C[N@@H+]1CC2(CCN(C(=O)c3cccc4cccnc43)CC2)[C@@]2(CCNC2=O)C1 ZINC000101847329 559148089 /nfs/dbraw/zinc/14/80/89/559148089.db2.gz GMFHBLJLPSNQRW-VWLOTQADSA-N 1 0 420.557 2.935 40 0 HFABRO Cn1ccnc1COc1ccc(CN2CC[C@](O)(C[NH+]3CCC(F)(F)CC3)C2)cc1 ZINC000257228920 559283766 /nfs/dbraw/zinc/28/37/66/559283766.db2.gz FVWUFGXQOUJXQR-NRFANRHFSA-N 1 0 420.504 2.667 40 0 HFABRO CN1CC[NH+]([C@H]2CC[C@](CNC(=O)c3ccccc3)(c3ccccc3)CC[C@@H]2O)CC1 ZINC000257241522 559284286 /nfs/dbraw/zinc/28/42/86/559284286.db2.gz HYIDNAJJWITBOE-GNKBHMEESA-N 1 0 421.585 2.905 40 0 HFABRO C[N@@H+](Cc1cccnc1)C[C@@H]1CCC2(CN(C(=O)[C@H]3Cc4ccccc4O3)C2)OC1 ZINC000575403346 560546873 /nfs/dbraw/zinc/54/68/73/560546873.db2.gz IJDBNMKEDOCCEK-SIKLNZKXSA-N 1 0 407.514 2.525 40 0 HFABRO COc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccc(F)cc3)[C@H]2c2ccccc2)cc1 ZINC000409056089 560670334 /nfs/dbraw/zinc/67/03/34/560670334.db2.gz GEHVTBRZMXULDN-WXUIRWOTSA-O 1 0 418.448 2.850 40 0 HFABRO COc1ccccc1/C=[N+]1\NC(=O)[C@H](NC(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1 ZINC000409057377 560670490 /nfs/dbraw/zinc/67/04/90/560670490.db2.gz OZTBLRHWXUCXNN-WXUIRWOTSA-O 1 0 418.448 2.850 40 0 HFABRO COc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(F)cc3)[C@H]2c2ccccc2)cc1 ZINC000409055633 560671552 /nfs/dbraw/zinc/67/15/52/560671552.db2.gz CSISEAKPYCNXNZ-KSYIGNPDSA-O 1 0 418.448 2.850 40 0 HFABRO OC[C@H]1[C@H](O)C[C@@H]([NH2+]Cc2cccc(Cl)c2)[C@@H]1Cc1ccnc(-c2cccnc2)n1 ZINC000604382652 568489475 /nfs/dbraw/zinc/48/94/75/568489475.db2.gz XHBGRZXYHRGAIK-GXRSIYKFSA-N 1 0 424.932 2.882 40 0 biogenic,in-vitro HFABRO COc1ccc(C(=O)NC(=S)Nc2ccccc2N2CC[NH+](C)CC2)c(OC)c1 ZINC000057315677 568491936 /nfs/dbraw/zinc/49/19/36/568491936.db2.gz GVAJCSYDCUEOQR-UHFFFAOYSA-N 1 0 414.531 2.582 40 0 HFABRO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1CCC[NH+]1CCOCC1 ZINC000222733775 568525018 /nfs/dbraw/zinc/52/50/18/568525018.db2.gz UEUOPSCTQTVPMR-SFTDATJTSA-N 1 0 413.591 2.825 40 0 HFABRO COCCn1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c1C ZINC000223264667 568543316 /nfs/dbraw/zinc/54/33/16/568543316.db2.gz VFJXLLNQENDAOC-WOJBJXKFSA-N 1 0 401.580 2.680 40 0 HFABRO CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cc[nH+]cc1 ZINC000223642864 568554524 /nfs/dbraw/zinc/55/45/24/568554524.db2.gz JXKGTQCIMWXDHI-PMACEKPBSA-N 1 0 407.499 2.803 40 0 HFABRO CN(c1ccccc1F)S(=O)(=O)c1cccc(C(=O)NCCC[NH+]2CCCC2)c1 ZINC000224159648 568571905 /nfs/dbraw/zinc/57/19/05/568571905.db2.gz JFGNYKKBCKCBFR-UHFFFAOYSA-N 1 0 419.522 2.867 40 0 HFABRO CN(c1cccc(C(=O)NCCC[NH+]2CCCC2)c1)S(=O)(=O)c1ccccc1 ZINC000224254787 568575482 /nfs/dbraw/zinc/57/54/82/568575482.db2.gz PSOKTHUASOTTLH-UHFFFAOYSA-N 1 0 401.532 2.727 40 0 HFABRO Cc1cc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)ccc1NS(C)(=O)=O ZINC000224612694 568587956 /nfs/dbraw/zinc/58/79/56/568587956.db2.gz AQAHWSTZDZGICC-UHFFFAOYSA-N 1 0 401.532 2.892 40 0 HFABRO COC(=O)CSc1nnc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)s1 ZINC000225475792 568641395 /nfs/dbraw/zinc/64/13/95/568641395.db2.gz ZCIZCFOVUMVISA-ZDUSSCGKSA-N 1 0 424.523 2.793 40 0 HFABRO C[NH2+]Cc1cc(C)nc(SC2=N[C@@H](c3ccccc3)C(C(N)=O)=C(C)N2)c1C#N ZINC000033646466 568697980 /nfs/dbraw/zinc/69/79/80/568697980.db2.gz SFPDSHYDTZKSOU-SFHVURJKSA-N 1 0 406.515 2.533 40 0 HFABRO CNC(=O)c1sc2nc([C@@]3(C)CCC[N@@H+](C4CCN(C)CC4)C3)ccc2c1N ZINC000257201310 568776377 /nfs/dbraw/zinc/77/63/77/568776377.db2.gz AHCYPNGFGLHTBM-NRFANRHFSA-N 1 0 401.580 2.686 40 0 HFABRO COc1cccc([C@H]2C[N@H+](Cc3ccccc3)[C@@H]3CCN(C(=O)CNC(C)=O)C[C@@H]32)c1 ZINC000257208393 568778511 /nfs/dbraw/zinc/77/85/11/568778511.db2.gz BLZVJPNIWFUCGC-WXFUMESZSA-N 1 0 421.541 2.648 40 0 HFABRO C[NH2+]CCOc1cccc(C(=O)N2CC[C@@H]3[C@H](C2)[C@@H](c2ccccc2)CN3C(C)=O)c1 ZINC000257234624 568786054 /nfs/dbraw/zinc/78/60/54/568786054.db2.gz GUKJNTAVENOVDV-WXFUMESZSA-N 1 0 421.541 2.761 40 0 HFABRO CC(=O)N[C@@]1(C)C[C@@H](c2ccc(OCC[NH+](C)C)cc2)O[C@H]2[C@H](O)C(C)=CC[C@H]21 ZINC000257262762 568793605 /nfs/dbraw/zinc/79/36/05/568793605.db2.gz LMUFJZMYVXAESG-KCSJKLDESA-N 1 0 402.535 2.679 40 0 HFABRO CC(=O)NCCn1nc([C@H]2CCC[N@H+](Cc3c[nH]nc3C(C)(C)C)C2)c2cccnc21 ZINC000257274294 568796954 /nfs/dbraw/zinc/79/69/54/568796954.db2.gz NKKBGGRXSCTSPA-KRWDZBQOSA-N 1 0 423.565 2.968 40 0 HFABRO c1cc2ccncc2c(C[C@@H]2COCC[N@H+](Cc3ccnc(N4CCOCC4)n3)C2)c1 ZINC000257318179 568809761 /nfs/dbraw/zinc/80/97/61/568809761.db2.gz VMUIODDEDWTGJT-IBGZPJMESA-N 1 0 419.529 2.553 40 0 HFABRO COC[C@@]1(C[NH3+])[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218217068 568836410 /nfs/dbraw/zinc/83/64/10/568836410.db2.gz WHDXJJAXFNAVHT-SQNIBIBYSA-N 1 0 410.333 2.980 40 0 HFABRO Cc1cc(C)cc(C[N@@H+]2CC[C@@]3(Cc4nn(Cc5ccccc5)c(=O)c(=O)n4C3)C2)c1 ZINC000306123227 568886317 /nfs/dbraw/zinc/88/63/17/568886317.db2.gz AHUQFWLTVNYRDP-RUZDIDTESA-N 1 0 416.525 2.519 40 0 HFABRO Cn1nccc1[C@@H]1C[N@H+](Cc2ccncc2)C[C@]12CCCN(Cc1ccncc1)C2=O ZINC000306124556 568887535 /nfs/dbraw/zinc/88/75/35/568887535.db2.gz BTNPYZIXCRCFPJ-XUZZJYLKSA-N 1 0 416.529 2.619 40 0 HFABRO O=C(NCc1ccccc1)c1nnc2n1C[C@@H]1C[N@@H+](Cc3cccc(F)c3)C[C@@H]1C2 ZINC000306125480 568888228 /nfs/dbraw/zinc/88/82/28/568888228.db2.gz CSFQLXMSXQGMIU-OALUTQOASA-N 1 0 405.477 2.652 40 0 HFABRO Cc1ccc(C[N@@H+]2C[C@@H]3Cn4c(nnc4C(=O)NCc4ccccc4)C[C@@H]3C2)s1 ZINC000306126271 568888888 /nfs/dbraw/zinc/88/88/88/568888888.db2.gz DRDZGKMFGMDDLF-QZTJIDSGSA-N 1 0 407.543 2.882 40 0 HFABRO O=C(c1ccccc1N1CCOCC1)N1CCO[C@]2(CCCC[C@H]2[NH+]2CCCC2)C1 ZINC000306126905 568889714 /nfs/dbraw/zinc/88/97/14/568889714.db2.gz FINAHRUMVSCAPE-ISKFKSNPSA-N 1 0 413.562 2.773 40 0 HFABRO O=C1N(Cc2ccncc2)CCO[C@]12C[N@H+](Cc1ccsc1)C[C@@H]2c1cccnc1 ZINC000306127324 568890086 /nfs/dbraw/zinc/89/00/86/568890086.db2.gz FVSMCYSPJBBRCU-GGAORHGYSA-N 1 0 420.538 2.935 40 0 HFABRO COc1ccc(C[N@@H+]2CCC[C@@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)cc1 ZINC000306128680 568891483 /nfs/dbraw/zinc/89/14/83/568891483.db2.gz HHZWHGIJSYGBCF-LJQANCHMSA-N 1 0 407.518 2.954 40 0 HFABRO CC(C)n1cc(C[N@H+]2C[C@H]3Cc4nnc(C(=O)Nc5ccccc5)n4C[C@@H]3C2)cn1 ZINC000306131591 568893868 /nfs/dbraw/zinc/89/38/68/568893868.db2.gz KJJYIUYJPPTEJW-MSOLQXFVSA-N 1 0 405.506 2.612 40 0 HFABRO COCCN1CC[C@]2(C[N@H+](Cc3ccsc3)C[C@H]2c2cn(C(C)C)cn2)C1=O ZINC000306132146 568894343 /nfs/dbraw/zinc/89/43/43/568894343.db2.gz LAAANIZXQPSAFX-GHTZIAJQSA-N 1 0 402.564 2.990 40 0 HFABRO Cc1ccc(C[N@@H+]2CCC[C@@]3(C(=O)NCC4CC4)CN(c4ncccn4)C[C@@H]3C2)o1 ZINC000306132044 568894439 /nfs/dbraw/zinc/89/44/39/568894439.db2.gz KWIJBYNQBIXHCE-WMZHIEFXSA-N 1 0 409.534 2.623 40 0 HFABRO COc1ccc(NC(=O)c2nnc3n2C[C@H]2C[N@@H+](Cc4cccc(C)n4)C[C@H]2C3)cc1 ZINC000306136005 568898017 /nfs/dbraw/zinc/89/80/17/568898017.db2.gz PGJFWCYTMSLNTL-IAGOWNOFSA-N 1 0 418.501 2.547 40 0 HFABRO COc1ccc(NC(=O)c2nnc3n2C[C@H]2C[N@@H+](Cc4cccc(C)n4)C[C@@H]2C3)cc1 ZINC000306136004 568898044 /nfs/dbraw/zinc/89/80/44/568898044.db2.gz PGJFWCYTMSLNTL-DLBZAZTESA-N 1 0 418.501 2.547 40 0 HFABRO COc1ccc(NC(=O)c2nnc3n2C[C@@H]2C[N@@H+](Cc4ccccc4F)C[C@H]2C3)cc1 ZINC000306137696 568899610 /nfs/dbraw/zinc/89/96/10/568899610.db2.gz RDEALECEEPJTER-SJORKVTESA-N 1 0 421.476 2.982 40 0 HFABRO Cc1ccc(C[N@@H+]2C[C@@H]3Cn4cc(C(=O)NC5CCCCC5)c(=O)nc4[C@@H]3C2)s1 ZINC000306139694 568901599 /nfs/dbraw/zinc/90/15/99/568901599.db2.gz TXWHKQJVHSEQFR-CRAIPNDOSA-N 1 0 412.559 2.905 40 0 HFABRO O=S(=O)(c1cccc(F)c1)N1CCO[C@@]2(CCCC[C@@H]2[NH2+]Cc2cccnc2)C1 ZINC000306143480 568904849 /nfs/dbraw/zinc/90/48/49/568904849.db2.gz YDCVOTFNQCKWLQ-SFTDATJTSA-N 1 0 419.522 2.713 40 0 HFABRO O=C1N(Cc2cccnc2)CCO[C@]12C[N@H+](Cc1ccsc1)C[C@@H]2c1cccnc1 ZINC000306145160 568906441 /nfs/dbraw/zinc/90/64/41/568906441.db2.gz ZZUNTUDDSAEDDY-GGAORHGYSA-N 1 0 420.538 2.935 40 0 HFABRO COc1ccc(Nc2cc(-c3cccnc3)nc(NCCC[NH+](C)C)n2)c(OC)c1 ZINC000328961485 568969736 /nfs/dbraw/zinc/96/97/36/568969736.db2.gz BDEXJSSIJSGKHZ-UHFFFAOYSA-N 1 0 408.506 2.507 40 0 HFABRO C[NH+](C)CCNc1nc(Nc2ccccc2OC(F)(F)F)cc(-c2ccccn2)n1 ZINC000329049603 568974692 /nfs/dbraw/zinc/97/46/92/568974692.db2.gz UREDMNRNHWLSMK-UHFFFAOYSA-N 1 0 418.423 2.998 40 0 HFABRO Cn1cc(-c2nc3cc(NC(=O)[C@H]([NH3+])C4CCCCC4)cc4c3-c2c[nH][nH]c4=O)cn1 ZINC000019862643 569188565 /nfs/dbraw/zinc/18/85/65/569188565.db2.gz YFNWWNRZJGMDBR-LJQANCHMSA-N 1 0 419.489 2.603 40 0 in-man HFABRO Cc1ccc(N(CCCC(=O)NCCC[NH+]2CCCCC2)S(C)(=O)=O)cc1C ZINC000010279410 569343206 /nfs/dbraw/zinc/34/32/06/569343206.db2.gz COUJIYHQRHWZDR-UHFFFAOYSA-N 1 0 409.596 2.842 40 0 HFABRO C[NH+](C)Cc1cnc2ccnn2c1CC1CCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000019704747 569347753 /nfs/dbraw/zinc/34/77/53/569347753.db2.gz JUWJYNWSFKNIMP-UHFFFAOYSA-N 1 0 409.509 2.954 40 0 HFABRO CC(=O)N1CCC([N@@H+]2CCC[C@H]2c2nc(-c3ccc(-c4cncnc4)nc3)no2)CC1 ZINC000049155290 291215270 /nfs/dbraw/zinc/21/52/70/291215270.db2.gz JKGFOGUBWOIRQA-FQEVSTJZSA-N 1 0 419.489 2.736 40 0 biogenic,in-vitro HFABRO O[C@H]1CC[C@@H](Cc2cc(COc3ccccc3)on2)O[C@@H]1C[NH2+]Cc1cccnc1 ZINC000096269001 291230305 /nfs/dbraw/zinc/23/03/05/291230305.db2.gz FSZSMEDPMSMWES-ACIOBRDBSA-N 1 0 409.486 2.889 40 0 biogenic,in-vitro HFABRO C[C@@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1CCc2c(=O)[nH]c(N3CCC[C@H](C)C3)nc2C1 ZINC000012184759 132356195 /nfs/dbraw/zinc/35/61/95/132356195.db2.gz TZYYXZFSOYCCLX-IRXDYDNUSA-N 1 0 424.545 2.972 40 0 HFABRO CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCSC)[NH2+][C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000035375140 557530634 /nfs/dbraw/zinc/53/06/34/557530634.db2.gz QISVXPODGKNSJE-AYQNDCLTSA-N 1 0 421.950 2.612 40 0 HFABRO CC1CC[NH+](Cc2ccc(-c3nnn(CC(=O)NCc4ccccc4)n3)cc2)CC1 ZINC000035290079 557674147 /nfs/dbraw/zinc/67/41/47/557674147.db2.gz AIBPEWWMXMYSMK-UHFFFAOYSA-N 1 0 404.518 2.888 40 0 HFABRO CN1C(=O)N(c2ccccc2)C2(CC[NH+](C[C@@H]3COc4ccccc4O3)CC2)C1=O ZINC000005941812 557681608 /nfs/dbraw/zinc/68/16/08/557681608.db2.gz WOPZHACYQXZLKH-GOSISDBHSA-N 1 0 407.470 2.760 40 0 HFABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCC[NH+](C)C)c2ccccc2Cl)cc1 ZINC000010111540 557855157 /nfs/dbraw/zinc/85/51/57/557855157.db2.gz OVUMYZVVSGIGFN-UHFFFAOYSA-N 1 0 409.939 2.522 40 0 HFABRO O=C(Cn1cc(NC(=O)c2ccccn2)cn1)Nc1ccccc1C[NH+]1CCCC1 ZINC000019749662 558269229 /nfs/dbraw/zinc/26/92/29/558269229.db2.gz GQNKRDCJZHYOCT-UHFFFAOYSA-N 1 0 404.474 2.765 40 0 HFABRO CCc1ncc(C[NH+]2CCC(Cc3ncncc3C(=O)NC3CCCC3)CC2)cn1 ZINC000019757165 558274773 /nfs/dbraw/zinc/27/47/73/558274773.db2.gz JBWCJQNFOJMWTM-UHFFFAOYSA-N 1 0 408.550 2.956 40 0 HFABRO COc1ncc(C2(O)[C@@H]3CCC[C@H]2C[N@@H+](Cc2cnc4ccccc4n2)C3)c(OC)n1 ZINC000012181034 558342664 /nfs/dbraw/zinc/34/26/64/558342664.db2.gz WBYYBGDZWQDEKM-QSVWGWLCSA-N 1 0 421.501 2.557 40 0 HFABRO Cn1c2ccc(S(=O)(=O)NCc3ccccc3C[NH+]3CCCCC3)cc2oc1=O ZINC000012239530 558360160 /nfs/dbraw/zinc/36/01/60/558360160.db2.gz CUJKGALRXMKWJQ-UHFFFAOYSA-N 1 0 415.515 2.596 40 0 HFABRO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@@H]1c1cccc(OCC)c1 ZINC000020674709 558399242 /nfs/dbraw/zinc/39/92/42/558399242.db2.gz KPZYNWBEXYWMPX-LEWJYISDSA-N 1 0 421.497 2.850 40 0 HFABRO CC[C@H](c1nnnn1Cc1ccc2c(c1)OCO2)N1CC[NH+](C2CCCCC2)CC1 ZINC000022929620 558523723 /nfs/dbraw/zinc/52/37/23/558523723.db2.gz QPSCWHAWZBKHLO-LJQANCHMSA-N 1 0 412.538 2.852 40 0 HFABRO Cc1ccc(Cl)cc1N(CC(=O)NCCC[NH+]1CCCCCC1)S(C)(=O)=O ZINC000013669586 558561260 /nfs/dbraw/zinc/56/12/60/558561260.db2.gz GRWQGELQBGSLMF-UHFFFAOYSA-N 1 0 415.987 2.797 40 0 HFABRO CC(C)C(=O)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)C[N@H+](Cc2cccs2)CC3)C1 ZINC000019085538 558841249 /nfs/dbraw/zinc/84/12/49/558841249.db2.gz UKWYNURFYBUWIP-OAHLLOKOSA-N 1 0 400.548 2.752 40 0 HFABRO Cn1nc(-c2ccccc2F)cc1C[NH+]1CCC(NC(=O)CCn2cccn2)CC1 ZINC000019288936 558861837 /nfs/dbraw/zinc/86/18/37/558861837.db2.gz NYENREDCEGZIFA-UHFFFAOYSA-N 1 0 410.497 2.594 40 0 HFABRO C[C@@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1CCc2c(=O)[nH]c(N3CCC(C)CC3)nc2C1 ZINC000072335639 558936986 /nfs/dbraw/zinc/93/69/86/558936986.db2.gz GANMBCCQHXABJQ-KRWDZBQOSA-N 1 0 424.545 2.972 40 0 HFABRO COc1ccccc1CN1CC[NH+](Cc2c(C)n(CC(N)=O)c3ccccc32)CC1 ZINC000019581872 558937126 /nfs/dbraw/zinc/93/71/26/558937126.db2.gz LSTDAOCBUPUCEX-UHFFFAOYSA-N 1 0 406.530 2.761 40 0 HFABRO C[NH+](C)Cc1cc(-c2ccccc2F)nn1CCNC(=O)Cn1cnc2ccccc21 ZINC000019583473 558938092 /nfs/dbraw/zinc/93/80/92/558938092.db2.gz AJELGIRUVIUMJD-UHFFFAOYSA-N 1 0 420.492 2.917 40 0 HFABRO C[NH+]1CCC(CNS(=O)(=O)c2ccc3c(c2)[C@H](NC(=O)C2CCCC2)CC3)CC1 ZINC000072345811 558942283 /nfs/dbraw/zinc/94/22/83/558942283.db2.gz HMSWTFKWFUZSHR-OAQYLSRUSA-N 1 0 419.591 2.600 40 0 HFABRO CNc1nc(C2CC[NH+](C)CC2)nc2c1CCN(C(=O)c1ccc(COC)cc1)C2 ZINC000072372415 558959918 /nfs/dbraw/zinc/95/99/18/558959918.db2.gz DCSQWHCFTHQYGP-UHFFFAOYSA-N 1 0 409.534 2.672 40 0 HFABRO C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+]2CCC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)C1 ZINC000072373061 558960900 /nfs/dbraw/zinc/96/09/00/558960900.db2.gz CFNKKKRZSVULGS-OTWHNJEPSA-N 1 0 400.567 2.654 40 0 HFABRO COCC(=O)NCc1cnc2cc(C)nn2c1C1CC[NH+](CCc2ccccc2)CC1 ZINC000072377295 558966669 /nfs/dbraw/zinc/96/66/69/558966669.db2.gz VQRUXUAPSOHJTK-UHFFFAOYSA-N 1 0 421.545 2.722 40 0 HFABRO CNc1cc(Nc2nccc([C@H]3CCC[N@H+](Cc4cccnc4NC)C3)n2)ncn1 ZINC000072378086 558967318 /nfs/dbraw/zinc/96/73/18/558967318.db2.gz JMDCQNYEZKOGNP-HNNXBMFYSA-N 1 0 405.510 2.868 40 0 HFABRO Cc1ccc(C2(C[NH+]3CCC(NC(=O)Cn4nc(C)ccc4=O)CC3)CCCC2)cc1 ZINC000072393533 558972917 /nfs/dbraw/zinc/97/29/17/558972917.db2.gz LZUHGFXOWWDBOY-UHFFFAOYSA-N 1 0 422.573 2.953 40 0 HFABRO CNc1nc(C2CC[NH+](C)CC2)nc2c1CCN(C(=O)c1ccc3c(c1)C[C@H](C)O3)C2 ZINC000019710906 558973121 /nfs/dbraw/zinc/97/31/21/558973121.db2.gz RXRMXEWBXDEQLJ-HNNXBMFYSA-N 1 0 421.545 2.849 40 0 HFABRO C/C=C/C(=O)N[C@@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@H]1C[NH+](C)C ZINC000072394977 558973794 /nfs/dbraw/zinc/97/37/94/558973794.db2.gz KJUIWUVGRYUJJQ-AZXQUKHTSA-N 1 0 421.541 2.641 40 0 HFABRO CC(C)(C)CCNC(=O)[C@@H]1C[N@H+](Cc2cccc(OCCO)c2)CC12CCOCC2 ZINC000585102007 559025233 /nfs/dbraw/zinc/02/52/33/559025233.db2.gz WGUJGYIJBOGNAS-NRFANRHFSA-N 1 0 418.578 2.839 40 0 HFABRO C[N@H+](C[C@H]1CC2(CO1)CCN(C(=O)c1ccc(O)cc1)CC2)[C@H]1CC[C@H](O)CC1 ZINC000585104464 559026996 /nfs/dbraw/zinc/02/69/96/559026996.db2.gz OXKVZPOPKVHKKE-HMXCVIKNSA-N 1 0 402.535 2.639 40 0 HFABRO C[N@H+](C[C@H]1CC2(CO1)CCN(C(=O)CCc1cccnc1)CC2)[C@H]1CC[C@H](O)CC1 ZINC000585104587 559027226 /nfs/dbraw/zinc/02/72/26/559027226.db2.gz QTXCENXIZPDXQH-YPAWHYETSA-N 1 0 415.578 2.647 40 0 HFABRO CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000585106339 559028695 /nfs/dbraw/zinc/02/86/95/559028695.db2.gz XGSVBKCLYDOMAR-DBVUQKKJSA-N 1 0 401.526 2.596 40 0 HFABRO CCCN1CCN(C(=O)C[NH2+]C)C[C@H](Cc2cccc(-c3ccccc3F)c2)C1=O ZINC000585183617 559070466 /nfs/dbraw/zinc/07/04/66/559070466.db2.gz OEICWIZOLMTRRE-FQEVSTJZSA-N 1 0 411.521 2.952 40 0 HFABRO CCN1CC[C@@]2(C[N@H+](Cc3cccnc3)CC23CCN(C(=O)c2ccco2)CC3)C1=O ZINC000096036477 559090355 /nfs/dbraw/zinc/09/03/55/559090355.db2.gz GVSKOPJUMOZWPO-XMMPIXPASA-N 1 0 422.529 2.651 40 0 HFABRO COc1ccc(C[NH+]2CCC3(CC2)O[C@@H](C(=O)NCC(C)C)Cn2ccnc23)cc1 ZINC000096036778 559090665 /nfs/dbraw/zinc/09/06/65/559090665.db2.gz CFJISCLQHTYFNY-HXUWFJFHSA-N 1 0 412.534 2.554 40 0 HFABRO COc1ccc(C[NH+]2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CCN3C)cc1 ZINC000096050109 559092133 /nfs/dbraw/zinc/09/21/33/559092133.db2.gz MFIBCJFILMCVNO-UHFFFAOYSA-N 1 0 414.575 2.769 40 0 HFABRO COc1cccc(CCN2C[C@H]3CC[N@H+](Cc4cccnc4)CC[C@H]3S2(=O)=O)c1 ZINC000096145501 559097289 /nfs/dbraw/zinc/09/72/89/559097289.db2.gz JAZAXTMXHRHVSL-IFMALSPDSA-N 1 0 415.559 2.559 40 0 HFABRO O=S1(=O)c2ccccc2O[C@H]2CC[N@@H+](CC3CC3)CC[C@@H]2N1Cc1cccnc1 ZINC000096145879 559097615 /nfs/dbraw/zinc/09/76/15/559097615.db2.gz JTJMYULVDJPMOB-PMACEKPBSA-N 1 0 413.543 2.908 40 0 HFABRO C[N@@H+]1CCCN(C(=O)c2cc(-c3cnc(N4CCCC4)nc3)cn2CC2CC2)CC1 ZINC000096147691 559098683 /nfs/dbraw/zinc/09/86/83/559098683.db2.gz DAWBGKULZAUQRB-UHFFFAOYSA-N 1 0 408.550 2.733 40 0 HFABRO COCC[NH+]1CCN(c2ccc3ccc(C(=O)NCCc4cccs4)cn32)CC1 ZINC000096155905 559099953 /nfs/dbraw/zinc/09/99/53/559099953.db2.gz JHZKSAZAFRRLFZ-UHFFFAOYSA-N 1 0 412.559 2.742 40 0 HFABRO COc1cccc(N2CCC(O)(C[N@@H+]3CCC[C@@H]4[C@H]3CCCCN4C(C)=O)CC2)c1 ZINC000585282520 559119970 /nfs/dbraw/zinc/11/99/70/559119970.db2.gz FNVBLVHXGYZUCO-DHIUTWEWSA-N 1 0 415.578 2.892 40 0 HFABRO CC(=O)N1CC[N@H+](CC2(O)CCCCCC2)C[C@](O)(COc2ccc(C)c(C)c2)C1 ZINC000585284574 559121187 /nfs/dbraw/zinc/12/11/87/559121187.db2.gz YJJSXVJQCCKBTE-XMMPIXPASA-N 1 0 418.578 2.663 40 0 HFABRO Cc1ccc(C[NH+]2CCC3(CN(c4ncccn4)C[C@@]34CCN(C)C4=O)CC2)s1 ZINC000097952861 559124899 /nfs/dbraw/zinc/12/48/99/559124899.db2.gz UWGRILVZRHWDLI-JOCHJYFZSA-N 1 0 411.575 2.797 40 0 HFABRO COc1ccc(CNC(=O)C[N@@H+]2CCC[C@](O)(COc3ccccc3F)CC2)cc1 ZINC000257231342 559283927 /nfs/dbraw/zinc/28/39/27/559283927.db2.gz GGGRQRPVOJLKPE-HSZRJFAPSA-N 1 0 416.493 2.747 40 0 HFABRO O=C(NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCOCC2)CC1)C1CCCC1 ZINC000257248926 559284466 /nfs/dbraw/zinc/28/44/66/559284466.db2.gz JFVHPLTVWNQRQG-WPFOTENUSA-N 1 0 400.563 2.867 40 0 HFABRO C[C@@]1(CO)CN(C(=O)c2ccc(Cl)cc2)C[C@@H]2C[N@@H+](C3CCCCC3)CCN21 ZINC000514290049 560030897 /nfs/dbraw/zinc/03/08/97/560030897.db2.gz RZVDECDYZFTYEU-UNMCSNQZSA-N 1 0 405.970 2.866 40 0 biogenic,in-vitro HFABRO Cc1cccc2cc(CN(C[C@H]3CCCO3)C(=S)NCCC[NH+](C)C)c(=O)[nH]c12 ZINC000004131856 560599761 /nfs/dbraw/zinc/59/97/61/560599761.db2.gz LZJANVRNJKCYSP-LJQANCHMSA-N 1 0 416.591 2.644 40 0 HFABRO Cc1nc2cc(C(F)(F)F)ccc2n1C1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000004093277 560601006 /nfs/dbraw/zinc/60/10/06/560601006.db2.gz LRJLMHSVRDCYNC-UHFFFAOYSA-N 1 0 410.440 2.859 40 0 HFABRO CCOCCCNC(=S)N(CC[NH+](C)C)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000004160784 560601588 /nfs/dbraw/zinc/60/15/88/560601588.db2.gz XCZOLNXBFVUSNY-UHFFFAOYSA-N 1 0 418.607 2.810 40 0 HFABRO COc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccc(F)cc3)[C@@H]2c2ccccc2)cc1 ZINC000409056079 560670322 /nfs/dbraw/zinc/67/03/22/560670322.db2.gz GEHVTBRZMXULDN-DCFWFYTKSA-O 1 0 418.448 2.850 40 0 HFABRO COc1ccccc1/C=[N+]1\NC(=O)[C@H](NC(=O)c2ccc(F)cc2)[C@H]1c1ccccc1 ZINC000409057375 560670388 /nfs/dbraw/zinc/67/03/88/560670388.db2.gz OZTBLRHWXUCXNN-KSYIGNPDSA-O 1 0 418.448 2.850 40 0 HFABRO Cc1ccc(Cl)cc1N(CC(=O)NCCC[NH+]1CCC(C)CC1)S(C)(=O)=O ZINC000010540587 560769862 /nfs/dbraw/zinc/76/98/62/560769862.db2.gz ATZTUYZFMHOPSQ-UHFFFAOYSA-N 1 0 415.987 2.653 40 0 HFABRO Cc1ccc(C(=O)NCCC[N@H+]2CCC[C@H](C)C2)cc1N1CCCCS1(=O)=O ZINC000260565631 560795705 /nfs/dbraw/zinc/79/57/05/560795705.db2.gz QVIYTTSLEBBMJJ-KRWDZBQOSA-N 1 0 407.580 2.777 40 0 HFABRO CC(C)(C)c1nccc(C[C@H]2[C@H]([NH2+]Cc3ccc(F)c(F)c3)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382187 568489417 /nfs/dbraw/zinc/48/94/17/568489417.db2.gz JMLWQPYHUFXZIA-XNFNUYLZSA-N 1 0 405.489 2.743 40 0 biogenic,in-vitro HFABRO OC[C@H]1[C@H](O)C[C@@H]([NH2+]Cc2ccc(Cl)cc2)[C@@H]1Cc1ccnc(-c2cccnc2)n1 ZINC000604382165 568489437 /nfs/dbraw/zinc/48/94/37/568489437.db2.gz IKVZJSNCJSWPBO-GXRSIYKFSA-N 1 0 424.932 2.882 40 0 biogenic,in-vitro HFABRO CN(C)S(=O)(=O)c1cccc(C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000224703496 568592938 /nfs/dbraw/zinc/59/29/38/568592938.db2.gz SKJXKQBBQVHXKP-UHFFFAOYSA-N 1 0 415.559 2.853 40 0 HFABRO Cc1ccc(C)c(N(Cc2ccc(C(=O)NCC[NH+](C)C)cc2)S(C)(=O)=O)c1 ZINC000225123306 568615742 /nfs/dbraw/zinc/61/57/42/568615742.db2.gz QRWKGRALLWZCJU-UHFFFAOYSA-N 1 0 403.548 2.561 40 0 HFABRO CNS(=O)(=O)c1ccc(C)c(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000225902044 568684716 /nfs/dbraw/zinc/68/47/16/568684716.db2.gz PPDMUIONHXMNCI-SFHVURJKSA-N 1 0 401.532 2.754 40 0 HFABRO CN([C@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1)S(C)(=O)=O ZINC000260888095 568742652 /nfs/dbraw/zinc/74/26/52/568742652.db2.gz HFRTWRHXICKGSM-NRFANRHFSA-N 1 0 415.559 2.531 40 0 HFABRO CN1CCN(c2ncc3c(n2)[C@@]2(CC[N@H+](Cc4ccccc4Cl)C2)COC3)CC1 ZINC000248093861 568747500 /nfs/dbraw/zinc/74/75/00/568747500.db2.gz CRMCGUZDAVJEPA-JOCHJYFZSA-N 1 0 413.953 2.556 40 0 HFABRO CC1CC[NH+](CC(=O)N2CCC[C@](COc3cccc(Cl)c3)(CC(N)=O)C2)CC1 ZINC000257241880 568788065 /nfs/dbraw/zinc/78/80/65/568788065.db2.gz IABAWYAVFKNZFP-QFIPXVFZSA-N 1 0 421.969 2.935 40 0 HFABRO O=C(c1cc(C(F)(F)F)n[nH]1)N1CCC[C@@](O)(C[NH+]2CCC(F)(F)CC2)CC1 ZINC000257244223 568788720 /nfs/dbraw/zinc/78/87/20/568788720.db2.gz IKKVLISNIMBERB-HNNXBMFYSA-N 1 0 410.387 2.517 40 0 HFABRO C[N@H+](CC(=O)N1CC[C@H](Oc2cccc(Cl)c2)[C@@H](CC(N)=O)C1)C1CCCC1 ZINC000257253967 568791371 /nfs/dbraw/zinc/79/13/71/568791371.db2.gz KBASFSVDXVJTSK-KXBFYZLASA-N 1 0 407.942 2.686 40 0 HFABRO Cc1ccc(=O)n(CC(=O)N2CCCCC[C@@H]3[NH2+][C@H](Cc4ccccc4)C[C@@]32C)n1 ZINC000257308298 568806812 /nfs/dbraw/zinc/80/68/12/568806812.db2.gz TWFQXPQZGRJDAU-DPLHUUCSSA-N 1 0 408.546 2.686 40 0 HFABRO Cc1cc(Nc2cc(C[C@@H]3CCCN(C(=O)C4CC[NH+](C)CC4)C3)nc(C)n2)n[nH]1 ZINC000257333565 568814078 /nfs/dbraw/zinc/81/40/78/568814078.db2.gz YCCSFRDPZOUMMN-KRWDZBQOSA-N 1 0 411.554 2.683 40 0 HFABRO CC[N@H+](Cc1ccncc1)C[C@@]1(O)CCCN(C(=O)c2ccc3[nH]cnc3c2)CC1 ZINC000257335163 568814685 /nfs/dbraw/zinc/81/46/85/568814685.db2.gz YIXYPEBIDRAMGL-HSZRJFAPSA-N 1 0 407.518 2.837 40 0 HFABRO CC(=O)N1C[C@@H](C(=O)Nc2cccc(F)c2)O[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000306125071 568888025 /nfs/dbraw/zinc/88/80/25/568888025.db2.gz CGEHQONXOYPJSU-JTHBVZDNSA-N 1 0 411.477 2.656 40 0 HFABRO COc1ccc(-c2nnc3n2C2(CC[NH+](Cc4ccccn4)CC2)CN(C)C3)cc1 ZINC000306128633 568891397 /nfs/dbraw/zinc/89/13/97/568891397.db2.gz HGNZWFLVEPKSQT-UHFFFAOYSA-N 1 0 404.518 2.785 40 0 HFABRO CC[C@@H](C)NC(=O)c1nnc2n1CC1(CC[NH+](Cc3cccc(F)c3)CC1)COC2 ZINC000306132473 568894673 /nfs/dbraw/zinc/89/46/73/568894673.db2.gz LKIOJLIIQBOWSD-MRXNPFEDSA-N 1 0 415.513 2.758 40 0 HFABRO Cn1nccc1[C@@H]1C[N@H+](Cc2cccnc2)C[C@]12CCCN(Cc1ccncc1)C2=O ZINC000306134203 568896100 /nfs/dbraw/zinc/89/61/00/568896100.db2.gz NFQKEORKQBQPOY-XUZZJYLKSA-N 1 0 416.529 2.619 40 0 HFABRO C[N@@H+]1CC[C@H](COCc2cccnc2)CC12CN(C(=O)[C@@H]1Cc3ccccc3O1)C2 ZINC000306135257 568897290 /nfs/dbraw/zinc/89/72/90/568897290.db2.gz OLYVURFGGLJBQC-AVRDEDQJSA-N 1 0 407.514 2.525 40 0 HFABRO Cc1ccsc1C[N@@H+]1C[C@@H]2Cn3c(nnc3C(=O)NCc3ccccc3)C[C@@H]2C1 ZINC000306136595 568898385 /nfs/dbraw/zinc/89/83/85/568898385.db2.gz PXTKDMPSOKCXEW-QZTJIDSGSA-N 1 0 407.543 2.882 40 0 HFABRO Cc1cccc(C[N@H+]2C[C@@H]3Cc4nnc(C(=O)Nc5cccc(F)c5)n4C[C@H]3C2)n1 ZINC000306136810 568898696 /nfs/dbraw/zinc/89/86/96/568898696.db2.gz QDYQFGBNTAUZCX-JKSUJKDBSA-N 1 0 406.465 2.677 40 0 HFABRO O=C(NC1CCCCC1)c1nnc2n1CC1(CC[NH+](Cc3ccoc3)CC1)COC2 ZINC000306137181 568899146 /nfs/dbraw/zinc/89/91/46/568899146.db2.gz QNXJKNWBCJBOSU-UHFFFAOYSA-N 1 0 413.522 2.746 40 0 HFABRO COc1ccc(NC(=O)c2nnc3n2C[C@H]2C[N@@H+](Cc4ccccc4F)C[C@@H]2C3)cc1 ZINC000306137693 568899605 /nfs/dbraw/zinc/89/96/05/568899605.db2.gz RDEALECEEPJTER-DLBZAZTESA-N 1 0 421.476 2.982 40 0 HFABRO COC(=O)N1Cc2nnc(-c3cccnc3)n2C2(CC[NH+](Cc3ccoc3)CC2)C1 ZINC000306143253 568904689 /nfs/dbraw/zinc/90/46/89/568904689.db2.gz XXCMAUBERXOALS-UHFFFAOYSA-N 1 0 408.462 2.506 40 0 HFABRO O=S(=O)(c1cccc(F)c1)N1CCC2(C[C@H](C[NH+]3CCC(F)(F)CC3)O2)CC1 ZINC000306144599 568906171 /nfs/dbraw/zinc/90/61/71/568906171.db2.gz ZJUYLFJEABONQL-MRXNPFEDSA-N 1 0 418.481 2.869 40 0 HFABRO COC[C@]1(C[NH3+])[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218181187 568927288 /nfs/dbraw/zinc/92/72/88/568927288.db2.gz XBFJYMNVCOJWGZ-CEXWTWQISA-N 1 0 409.891 2.600 40 0 HFABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+](C)C)c2ccc(C)cc2C)cc1 ZINC000010111366 569342836 /nfs/dbraw/zinc/34/28/36/569342836.db2.gz PSTJQXJUVKYFEO-UHFFFAOYSA-N 1 0 417.575 2.875 40 0 HFABRO Cc1ccc(C)c(N([C@H](C)C(=O)NCCC[NH+]2CCCCCC2)S(C)(=O)=O)c1 ZINC000010111278 569342882 /nfs/dbraw/zinc/34/28/82/569342882.db2.gz UBYZVZIPGXZBNY-LJQANCHMSA-N 1 0 409.596 2.840 40 0 HFABRO COc1ccc2c(c1)CN(C(C)=O)C[C@H]([C@@H]1CCC[N@H+](Cc3cnn(C)c3C)C1)O2 ZINC000012235387 569344786 /nfs/dbraw/zinc/34/47/86/569344786.db2.gz GKCXMOHFFZFBDD-WZONZLPQSA-N 1 0 412.534 2.759 40 0 HFABRO COc1ccc2c(c1)CN(C(C)=O)C[C@H]([C@H]1CCC[N@H+](Cc3cn(C)nc3C)C1)O2 ZINC000019583792 569345772 /nfs/dbraw/zinc/34/57/72/569345772.db2.gz RFUNNJPYRIUQHL-FDDCHVKYSA-N 1 0 412.534 2.759 40 0 HFABRO CC(C)C[NH+]1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)CC3CCCC3)C1)C2=O ZINC000019699714 569347060 /nfs/dbraw/zinc/34/70/60/569347060.db2.gz YQQVUHTWWOWBBG-IBGZPJMESA-N 1 0 418.582 2.600 40 0 HFABRO COc1ccc(CC(=O)N2CCC(Cc3c(C[NH+](C)C)cnc4ccnn43)CC2)cc1 ZINC000019704727 569347817 /nfs/dbraw/zinc/34/78/17/569347817.db2.gz KEEIQDZALGENII-UHFFFAOYSA-N 1 0 421.545 2.823 40 0 HFABRO COc1ccc(C[N@@H+]2CC[C@@H](c3cc(C(=O)N(C)C)[nH]n3)C2)cc1Cn1ccnc1C ZINC000019707699 569347963 /nfs/dbraw/zinc/34/79/63/569347963.db2.gz UAJLJMPKTXNQHF-GOSISDBHSA-N 1 0 422.533 2.663 40 0 HFABRO CC(C)(C)OC(=O)N[C@]1(C[NH3+])[C@@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccccc1 ZINC000252514724 569387956 /nfs/dbraw/zinc/38/79/56/569387956.db2.gz CYPPSCAOSORZEQ-WAOWUJCRSA-N 1 0 402.516 2.849 40 0 HFABRO Cc1cccc(C)c1N1C(=O)[C@H]2[C@H]3CCC[N@@H+]3[C@]3(c4ccccc4NC3=O)[C@@H]2C1=O ZINC000009332551 569392503 /nfs/dbraw/zinc/39/25/03/569392503.db2.gz DANMZDFCDJOVND-XMODTWTHSA-N 1 0 401.466 2.735 40 0 HFABRO Nc1cccc(-c2cn(C[C@H]3C[C@@H]4CC[N@@H+]3C[C@@H]4C(=O)Nc3ccccc3)nn2)c1 ZINC000008254282 571038109 /nfs/dbraw/zinc/03/81/09/571038109.db2.gz LSYVPABZQHGDMF-DQLDELGASA-N 1 0 402.502 2.876 40 0 biogenic,in-vitro HFABRO Cc1nc(Nc2nccnc2[C@@H]2CCCN(C(=O)/C=C/C[NH+](C)C)C2)sc1C ZINC000585293104 571309887 /nfs/dbraw/zinc/30/98/87/571309887.db2.gz WWZHSOTZIOQMCO-IQIBNGDESA-N 1 0 400.552 3.117 40 0 HFABRO CC(C)C[NH+]1CCC(O)(c2csc(CN3CCN(c4ccccn4)CC3)n2)CC1 ZINC000225477104 291217180 /nfs/dbraw/zinc/21/71/80/291217180.db2.gz RFZXXUBXKCRDGW-UHFFFAOYSA-N 1 0 415.607 2.800 40 0 biogenic,in-vitro HFABRO COc1ccc(-c2ccnc(N[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4[NH2+]Cc3ccccc3)n2)cc1 ZINC000006137857 291224261 /nfs/dbraw/zinc/22/42/61/291224261.db2.gz UYWGFWZEUKSXQR-MYDTUXCISA-N 1 0 418.497 2.889 40 0 biogenic,in-vitro HFABRO Cc1csc(NC(=O)[C@@H]2CCC[C@@H]([NH2+]Cc3cccnc3)CN(C)C(=O)C2)n1 ZINC000096113463 291227154 /nfs/dbraw/zinc/22/71/54/291227154.db2.gz WFWFLDHGHCCHEC-IAGOWNOFSA-N 1 0 401.536 2.592 40 0 biogenic,in-vitro HFABRO c1cncc(C[NH+]2CCC(c3nc(N4CCOCC4)ncc3-c3cnccn3)CC2)c1 ZINC000012088791 132353801 /nfs/dbraw/zinc/35/38/01/132353801.db2.gz BKTRBKQCABKWFQ-UHFFFAOYSA-N 1 0 417.517 2.545 40 0 HFABRO CS(=O)(=O)N1CCCc2cc([C@@H](O)C[NH+]3CCC(c4ccncc4)CC3)ccc21 ZINC000012291475 132357986 /nfs/dbraw/zinc/35/79/86/132357986.db2.gz UAKAUIYEYVGLEP-QFIPXVFZSA-N 1 0 415.559 2.707 40 0 HFABRO CS(=O)(=O)N1CCCc2cc([C@@H](O)C[NH+]3CCC(C(F)(F)F)CC3)ccc21 ZINC000012291496 132357990 /nfs/dbraw/zinc/35/79/90/132357990.db2.gz MVPFATLUHKOQGH-KRWDZBQOSA-N 1 0 406.470 2.707 40 0 HFABRO Cc1ccc(N(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)S(C)(=O)=O)cc1 ZINC000044857284 524891248 /nfs/dbraw/zinc/89/12/48/524891248.db2.gz VUBRGZYLGSMWAK-UHFFFAOYSA-N 1 0 415.559 2.673 40 0 HFABRO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2c4ccccc4[C@@H]3[n+]3ccccc32)cc1 ZINC000001761351 557285288 /nfs/dbraw/zinc/28/52/88/557285288.db2.gz IXNLIOXRAHTORI-AFXVXQJMSA-N 1 0 411.437 2.754 40 0 HFABRO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)COc2ccc(C)cc2C)c1 ZINC000408569344 557466840 /nfs/dbraw/zinc/46/68/40/557466840.db2.gz NIPVJENCQHZIEL-UHFFFAOYSA-N 1 0 411.502 2.859 40 0 HFABRO C=C1NC(NN)=[NH+][C@H](c2ccc(OCc3ccccc3)c(OC)c2)C1C(=O)OCC ZINC000408732735 557799746 /nfs/dbraw/zinc/79/97/46/557799746.db2.gz YBGBXWYXHIDNLZ-HXUWFJFHSA-N 1 0 410.474 2.575 40 0 HFABRO CCOc1ccc(CN2CCCC[C@H]2c2nc3c(c(NC)n2)CC[NH2+]C3)cc1CO ZINC000019754869 558273738 /nfs/dbraw/zinc/27/37/38/558273738.db2.gz ZMGNBLYPQXLRCJ-FQEVSTJZSA-N 1 0 411.550 2.782 40 0 HFABRO Cc1cc(S(=O)(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)ccc1N1CCCC1=O ZINC000019931379 558310321 /nfs/dbraw/zinc/31/03/21/558310321.db2.gz VZWZRFNDKCLOAM-CALCHBBNSA-N 1 0 407.580 2.768 40 0 HFABRO COc1ccc2c(c1)CN(C(C)=O)C[C@@H]([C@H]1CCC[N@H+](Cc3cnn(C)c3C)C1)O2 ZINC000012235401 558358504 /nfs/dbraw/zinc/35/85/04/558358504.db2.gz GKCXMOHFFZFBDD-MBSDFSHPSA-N 1 0 412.534 2.759 40 0 HFABRO COc1ccc2c(c1)CN(C(C)=O)C[C@@H]([C@@H]1CCC[N@H+](Cc3cnc(C)nc3)C1)O2 ZINC000012235375 558358551 /nfs/dbraw/zinc/35/85/51/558358551.db2.gz FHTPZEHCBQTDKZ-XXBNENTESA-N 1 0 410.518 2.815 40 0 HFABRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)C1 ZINC000020481525 558375263 /nfs/dbraw/zinc/37/52/63/558375263.db2.gz BMNUAUGFGWLMEO-KBPBESRZSA-N 1 0 401.960 2.809 40 0 HFABRO Cc1ccc(N(CC(=O)NCCC[NH+]2CCCC2)S(=O)(=O)c2ccccc2)cc1 ZINC000013670138 558561751 /nfs/dbraw/zinc/56/17/51/558561751.db2.gz DRBODVICROYFDK-UHFFFAOYSA-N 1 0 415.559 2.792 40 0 HFABRO CC(=O)N1CCc2cc(S(=O)(=O)NCc3ccc(C[NH+]4CCCC4)cc3)ccc21 ZINC000015336107 558734047 /nfs/dbraw/zinc/73/40/47/558734047.db2.gz LVKMUZZGCXSKTO-UHFFFAOYSA-N 1 0 413.543 2.670 40 0 HFABRO CC(C)NC(=O)Cn1cc(C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)c2ccccc21 ZINC000036741513 558802340 /nfs/dbraw/zinc/80/23/40/558802340.db2.gz SSPBOEGFCQYBQB-FQEVSTJZSA-N 1 0 412.578 2.710 40 0 HFABRO Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCC[NH+]3CCC(C)CC3)CC2)cc1 ZINC000017812993 558827905 /nfs/dbraw/zinc/82/79/05/558827905.db2.gz ITXSBSKPUOPTCA-UHFFFAOYSA-N 1 0 421.607 2.634 40 0 HFABRO Cc1ccc(C(=O)N2CCC[C@H]2c2nc3c(c(=O)[nH]2)C[N@@H+](C2CCOCC2)CC3)cc1 ZINC000019135327 558846157 /nfs/dbraw/zinc/84/61/57/558846157.db2.gz BPMSTOCXUYKCOU-NRFANRHFSA-N 1 0 422.529 2.593 40 0 HFABRO Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)N[C@@H](C)C(C)C)CC1(CC[NH+](C)CC1)O2 ZINC000019218402 558851111 /nfs/dbraw/zinc/85/11/11/558851111.db2.gz ZFRJTJCYEMQAQT-ROUUACIJSA-N 1 0 401.551 2.843 40 0 HFABRO Cn1nc(-c2ccccn2)cc1C[NH+]1CCC(NC(=O)Cc2ccc(F)cc2)CC1 ZINC000019288956 558861770 /nfs/dbraw/zinc/86/17/70/558861770.db2.gz NTKUTEBPQCWYJN-UHFFFAOYSA-N 1 0 407.493 2.945 40 0 HFABRO Cn1nc(-c2ccc(F)cc2)cc1C[NH+]1CCC(NC(=O)c2cncc(N)c2)CC1 ZINC000019288914 558861781 /nfs/dbraw/zinc/86/17/81/558861781.db2.gz JQWTVBZJRAPXHM-UHFFFAOYSA-N 1 0 408.481 2.598 40 0 HFABRO COc1ccc(C(=O)NC2CC[NH+](Cc3cc(-c4cccnc4)nn3C)CC2)cc1 ZINC000019288991 558861936 /nfs/dbraw/zinc/86/19/36/558861936.db2.gz PUDLEQYQLGXYKC-UHFFFAOYSA-N 1 0 405.502 2.885 40 0 HFABRO O=C([C@H]1CC[NH2+]C1)N1CCc2nc(-c3ccncc3)nc(Nc3cccc(F)c3)c2C1 ZINC000019293998 558865706 /nfs/dbraw/zinc/86/57/06/558865706.db2.gz BFGVZUYIAZGZBH-INIZCTEOSA-N 1 0 418.476 2.916 40 0 HFABRO CC1CCC([N@@H+]2CCc3nc([C@H]4CCCN4C(=O)[C@@H]4CCCO4)[nH]c(=O)c3C2)CC1 ZINC000019495985 558894884 /nfs/dbraw/zinc/89/48/84/558894884.db2.gz QJWVDGXNVSUGKR-MPIRFRCKSA-N 1 0 414.550 2.962 40 0 HFABRO CCCC(=O)N1CC[C@H](c2nc3c(c(=O)[nH]2)C[N@H+](Cc2ccc(OC)cc2)CC3)C1 ZINC000019501123 558898968 /nfs/dbraw/zinc/89/89/68/558898968.db2.gz COURLMFQLYVQTR-KRWDZBQOSA-N 1 0 410.518 2.865 40 0 HFABRO CCc1cc(N2CCOCC2)nc(C2CC[NH+](Cc3ccc(COC)o3)CC2)n1 ZINC000019522578 558903824 /nfs/dbraw/zinc/90/38/24/558903824.db2.gz PYCOCGMLOSKKSB-UHFFFAOYSA-N 1 0 400.523 2.995 40 0 HFABRO COc1cc(C[N@@H+]2CCC[C@@H](Cn3nnc(-c4cccnc4)n3)C2)cc(OC)c1OC ZINC000019549801 558914571 /nfs/dbraw/zinc/91/45/71/558914571.db2.gz VTGZGNKDAVNNGY-MRXNPFEDSA-N 1 0 424.505 2.673 40 0 HFABRO CC(C)NC(=O)[C@@H]1C[N@@H+]([C@@H](C)Cc2ccc(F)cc2)C[C@]12Cc1ccccc1C(=O)N2 ZINC000072334461 558935636 /nfs/dbraw/zinc/93/56/36/558935636.db2.gz ASYNREOZJHEJKQ-QOKIKDITSA-N 1 0 423.532 2.938 40 0 HFABRO Cc1oc2c(c1C(=O)N1CCC[C@H](c3nc4c(c(=O)[nH]3)C[N@H+](C)CC4)C1)CCCC2 ZINC000019581219 558936860 /nfs/dbraw/zinc/93/68/60/558936860.db2.gz SHLLAJPWKTVSSW-HNNXBMFYSA-N 1 0 410.518 2.970 40 0 HFABRO C[NH+](C)Cc1cc(-c2ccccc2F)nn1CCNC(=O)c1n[nH]c2c1CCCC2 ZINC000019583476 558938044 /nfs/dbraw/zinc/93/80/44/558938044.db2.gz PXUQJSQZTGTXHN-UHFFFAOYSA-N 1 0 410.497 2.783 40 0 HFABRO C[N@H+](CCc1ccccc1)CC(=O)N1CCC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000019586205 558939475 /nfs/dbraw/zinc/93/94/75/558939475.db2.gz IIKWZQOORGFMIG-NRFANRHFSA-N 1 0 422.573 2.850 40 0 HFABRO CCS(=O)(=O)N1CCCC[C@H]1c1nnc(C2CC[NH+](Cc3ccccn3)CC2)o1 ZINC000072344900 558941339 /nfs/dbraw/zinc/94/13/39/558941339.db2.gz QUHNTVCYCCBINC-SFHVURJKSA-N 1 0 419.551 2.721 40 0 HFABRO COCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](CC1CCCCC1)CC2 ZINC000019592836 558943882 /nfs/dbraw/zinc/94/38/82/558943882.db2.gz DZVFWHGFBYVIFC-LJQANCHMSA-N 1 0 402.539 2.821 40 0 HFABRO COc1nc2ccccc2nc1CCC(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000019594876 558945547 /nfs/dbraw/zinc/94/55/47/558945547.db2.gz WCFLLHBXUSUJEC-UHFFFAOYSA-N 1 0 405.502 2.747 40 0 HFABRO O=C(C[NH+]1CCC(c2cncc(-c3cccc(Cl)c3)n2)CC1)N1CCOCC1 ZINC000072359378 558955012 /nfs/dbraw/zinc/95/50/12/558955012.db2.gz BHUKKBLJBPATBL-UHFFFAOYSA-N 1 0 400.910 2.835 40 0 HFABRO COc1cc(C)ccc1C[N@@H+]1C[C@H](C(=O)N(C)C)[C@@H](c2ccc(CNC(C)=O)cc2)C1 ZINC000019698743 558966391 /nfs/dbraw/zinc/96/63/91/558966391.db2.gz VXZVKHDTGAMFKR-PKTZIBPZSA-N 1 0 423.557 2.944 40 0 HFABRO CNc1nc([C@H]2CCC[N@H+](C)C2)nc2c1CCN(C(=O)c1cccc(C)c1OC)C2 ZINC000019708827 558971515 /nfs/dbraw/zinc/97/15/15/558971515.db2.gz NASKOXRUYHDTQO-INIZCTEOSA-N 1 0 409.534 2.843 40 0 HFABRO Cc1cncc(C[N@@H+]2C[C@@H](C(=O)N3CCCC(F)(F)CC3)C3(C2)CCOCC3)n1 ZINC000585101841 559024888 /nfs/dbraw/zinc/02/48/88/559024888.db2.gz GJNYVLHDCIKROO-SFHVURJKSA-N 1 0 408.493 2.661 40 0 HFABRO C[N@@H+](Cc1cccnc1)C[C@@H]1CC2(CO1)CCN(C(=O)Cc1ccc(O)cc1)CC2 ZINC000585105098 559027514 /nfs/dbraw/zinc/02/75/14/559027514.db2.gz XYJPUWQDRKLHSJ-QFIPXVFZSA-N 1 0 409.530 2.859 40 0 HFABRO COCCN1CC2(CC[NH+](Cc3ccoc3)CC2)COc2ccccc2S1(=O)=O ZINC000096037172 559091033 /nfs/dbraw/zinc/09/10/33/559091033.db2.gz VLBOFSFYEZRFPP-UHFFFAOYSA-N 1 0 420.531 2.592 40 0 HFABRO O=C(NCC1CC1)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@H+](Cc1cccs1)CCC2 ZINC000096056140 559093900 /nfs/dbraw/zinc/09/39/00/559093900.db2.gz DOUWQYWWDFIFML-AVRDEDQJSA-N 1 0 411.575 2.783 40 0 HFABRO O=C(Nc1cccnc1)[C@H]1Cn2ccnc2C2(CC[NH+](Cc3ccccc3)CC2)O1 ZINC000096144683 559096754 /nfs/dbraw/zinc/09/67/54/559096754.db2.gz FNFBKVYSYRIWRZ-HXUWFJFHSA-N 1 0 403.486 2.807 40 0 HFABRO CCN1CC2(CC[NH+](Cc3ccncc3)CC2)COc2ccccc2S1(=O)=O ZINC000096145133 559097090 /nfs/dbraw/zinc/09/70/90/559097090.db2.gz AFBVKVZXKAYWFG-UHFFFAOYSA-N 1 0 401.532 2.767 40 0 HFABRO O=C(NCC1CCOCC1)c1ccc2nnc([C@H]3CC[N@H+](Cc4ccccc4)C3)n2c1 ZINC000096267506 559108174 /nfs/dbraw/zinc/10/81/74/559108174.db2.gz NOFOIVYWNKRBMZ-FQEVSTJZSA-N 1 0 419.529 2.875 40 0 HFABRO O=C(C[N@H+]1C[C@H](c2ccc(F)cc2)[C@H]2COCC[C@H]21)NCCc1nc2ccccc2[nH]1 ZINC000585261490 559109024 /nfs/dbraw/zinc/10/90/24/559109024.db2.gz VDHPUZRNEZRCDA-WOIUINJBSA-N 1 0 422.504 2.865 40 0 HFABRO O=C(N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[NH+]1CCCC1)c1ccccc1F ZINC000585262300 559110765 /nfs/dbraw/zinc/11/07/65/559110765.db2.gz MISPBSHWWYJPLH-CGXNFDGLSA-N 1 0 402.441 2.740 40 0 HFABRO O=C(c1ccc(Cl)cc1)N1CC[C@](O)(C[NH+]2CCC(C(F)(F)F)CC2)[C@@H](O)C1 ZINC000585283659 559120759 /nfs/dbraw/zinc/12/07/59/559120759.db2.gz GNTIIJBHDVBDIL-WMZOPIPTSA-N 1 0 420.859 2.552 40 0 HFABRO O=C(c1ccc(Cl)cc1)N1CC[C@H](O)[C@@](O)(C[NH2+]CCc2ccc(Cl)cc2)C1 ZINC000585286085 559121784 /nfs/dbraw/zinc/12/17/84/559121784.db2.gz VHTKIRDBNLPAGG-PZJWPPBQSA-N 1 0 423.340 2.764 40 0 HFABRO CC(=O)N1CC[C@H]2[C@@H](C1)CCCC[N@@H+]2CC1(O)CCN(c2ccc(F)cc2)CC1 ZINC000585287105 559122177 /nfs/dbraw/zinc/12/21/77/559122177.db2.gz SVEJKBUMHNLCJI-KNQAVFIVSA-N 1 0 403.542 2.880 40 0 HFABRO COc1ccccc1CNC(=O)C[N@@H+]1CCC[C@](O)(COc2ccccc2F)CC1 ZINC000257325513 559283126 /nfs/dbraw/zinc/28/31/26/559283126.db2.gz WTFSNOOUBHHYNC-HSZRJFAPSA-N 1 0 416.493 2.747 40 0 HFABRO Cc1cccc(C(=O)NC[C@]2(c3ccccc3)CC[C@H](O)[C@@H]([NH+]3CCOCC3)CC2)n1 ZINC000257325508 559283227 /nfs/dbraw/zinc/28/32/27/559283227.db2.gz WTFIQBKWSOSMMZ-SONWIMMPSA-N 1 0 423.557 2.694 40 0 HFABRO CCOc1ccc2[nH]c(=O)c(CN(CC[NH+](C)C)C(=S)N[C@@H](C)CC)cc2c1 ZINC000004161969 560602055 /nfs/dbraw/zinc/60/20/55/560602055.db2.gz HKAGQWOZWJUQDX-HNNXBMFYSA-N 1 0 404.580 2.963 40 0 HFABRO COc1ccc([C@@H]2[C@@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2ccccc2)cc1 ZINC000409056420 560670337 /nfs/dbraw/zinc/67/03/37/560670337.db2.gz RGNGCUPMEQDHQK-KSYIGNPDSA-O 1 0 418.448 2.850 40 0 HFABRO Cc1ccc(N(Cc2ccc(C(=O)NCC[NH+](C)C)cc2)S(C)(=O)=O)cc1C ZINC000010111598 560763774 /nfs/dbraw/zinc/76/37/74/560763774.db2.gz QNIBMKRPCKZVCG-UHFFFAOYSA-N 1 0 403.548 2.561 40 0 HFABRO Cc1ccc(N(CC(=O)NCCC[NH+]2CCC(C)CC2)S(C)(=O)=O)cc1Cl ZINC000010540591 560769836 /nfs/dbraw/zinc/76/98/36/560769836.db2.gz MGWHHNSRKCVMDK-UHFFFAOYSA-N 1 0 415.987 2.653 40 0 HFABRO CC[NH+]1CCN([C@@H](c2nnnn2C(C)(C)CC)c2cc3cccc(C)c3[nH]c2=O)CC1 ZINC000019499639 560873425 /nfs/dbraw/zinc/87/34/25/560873425.db2.gz ZYRXIBDPTCUPIC-HXUWFJFHSA-N 1 0 423.565 2.695 40 0 HFABRO Cc1ccc([C@@H](c2nnnn2C[C@H]2CCCO2)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000020140741 560881380 /nfs/dbraw/zinc/88/13/80/560881380.db2.gz OHQUQEPLOXLIAC-YADHBBJMSA-N 1 0 410.566 2.810 40 0 HFABRO COc1cc(C[NH2+]CCc2ccccc2F)cc(Br)c1OCC(N)=O ZINC000022074516 568473990 /nfs/dbraw/zinc/47/39/90/568473990.db2.gz XREJVCUZPIGAPO-UHFFFAOYSA-N 1 0 411.271 2.793 40 0 HFABRO C[NH+](C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1C[C@@H]1CCCO1 ZINC000223219772 568541401 /nfs/dbraw/zinc/54/14/01/568541401.db2.gz ODKNYGKHWPGPSE-DZFGPLHGSA-N 1 0 413.591 2.986 40 0 HFABRO Cc1ccc(S(=O)(=O)N(C)c2cc(C(=O)NCCC[NH+](C)C)ccc2C)cc1 ZINC000224310338 568577462 /nfs/dbraw/zinc/57/74/62/568577462.db2.gz JXWZJNVJECHTNB-UHFFFAOYSA-N 1 0 403.548 2.810 40 0 HFABRO CCN(Cc1ccc(C(=O)NCCC[NH+](C)C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000224457811 568581684 /nfs/dbraw/zinc/58/16/84/568581684.db2.gz PXRMCRSAEONHDN-UHFFFAOYSA-N 1 0 417.575 2.887 40 0 HFABRO CS(=O)(=O)Nc1ccc(C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000224662359 568591214 /nfs/dbraw/zinc/59/12/14/568591214.db2.gz NGGDDGQNKWHSKG-UHFFFAOYSA-N 1 0 401.532 2.974 40 0 HFABRO Cc1ccc(N(CC(=O)NCc2ccccc2C[NH+]2CCCC2)S(C)(=O)=O)cc1 ZINC000224764439 568595883 /nfs/dbraw/zinc/59/58/83/568595883.db2.gz LQHPZIDTAIYSHH-UHFFFAOYSA-N 1 0 415.559 2.673 40 0 HFABRO Cc1cc(C(=O)NCc2ccccc2C[NH+]2CCCC2)ccc1NS(C)(=O)=O ZINC000224777505 568596366 /nfs/dbraw/zinc/59/63/66/568596366.db2.gz JOFZSOOVEKOTPY-UHFFFAOYSA-N 1 0 401.532 2.892 40 0 HFABRO CCN(c1ccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1)S(C)(=O)=O ZINC000224780938 568596637 /nfs/dbraw/zinc/59/66/37/568596637.db2.gz JNIAABLKUPUZEB-UHFFFAOYSA-N 1 0 415.559 2.998 40 0 HFABRO CN(c1ccc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1)S(C)(=O)=O ZINC000224820121 568598451 /nfs/dbraw/zinc/59/84/51/568598451.db2.gz ZGDKANFNRYDMMC-UHFFFAOYSA-N 1 0 415.559 2.998 40 0 HFABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000225471712 568640995 /nfs/dbraw/zinc/64/09/95/568640995.db2.gz HZTSLZLXSVILLG-HXUWFJFHSA-N 1 0 421.607 2.858 40 0 HFABRO C[C@H]1CCC[N@H+](CCCNC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)C1 ZINC000260743704 568737097 /nfs/dbraw/zinc/73/70/97/568737097.db2.gz PUVBZIGICVOUKE-KRWDZBQOSA-N 1 0 413.559 2.610 40 0 HFABRO Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc(Br)cc3)[C@]2(C[NH3+])CO)cc1 ZINC000242495423 568738053 /nfs/dbraw/zinc/73/80/53/568738053.db2.gz GFDFATLUFGQKDN-KSZLIROESA-N 1 0 410.333 2.635 40 0 HFABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000260905870 568743829 /nfs/dbraw/zinc/74/38/29/568743829.db2.gz TUFXTSVONLHYHA-VQTJNVASSA-N 1 0 421.607 2.858 40 0 HFABRO CN1CCN(c2ncc3c(n2)[C@]2(CC[N@H+](Cc4ccccc4Cl)C2)COC3)CC1 ZINC000248093865 568747495 /nfs/dbraw/zinc/74/74/95/568747495.db2.gz CRMCGUZDAVJEPA-QFIPXVFZSA-N 1 0 413.953 2.556 40 0 HFABRO O=C(N[C@@H]1CCC[C@@H](n2ccnc2)[C@@H]1O)c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000257201604 568776490 /nfs/dbraw/zinc/77/64/90/568776490.db2.gz AIHMQFZDSSRIIX-YPAWHYETSA-N 1 0 412.534 2.632 40 0 HFABRO CCOc1cc(C(=O)N2CCC[C@@](O)(C[NH+]3CCC(F)(F)CC3)CC2)ccc1O ZINC000257207356 568778240 /nfs/dbraw/zinc/77/82/40/568778240.db2.gz BHJXCOHUEGXDHE-FQEVSTJZSA-N 1 0 412.477 2.879 40 0 HFABRO C[N@H+](Cc1ccc(F)cc1)C[C@@]1(O)CCCN(C(=O)c2ccc3n[nH]nc3c2)CC1 ZINC000257227982 568784241 /nfs/dbraw/zinc/78/42/41/568784241.db2.gz FRWBVGSPCZIXPV-JOCHJYFZSA-N 1 0 411.481 2.586 40 0 HFABRO Cc1cc(Nc2cc(C[C@H]3CCCN(C(=O)C4(C)CC[NH2+]CC4)C3)nc(C)n2)n[nH]1 ZINC000257240842 568787753 /nfs/dbraw/zinc/78/77/53/568787753.db2.gz HVJRMIHGQUNWAY-QGZVFWFLSA-N 1 0 411.554 2.731 40 0 HFABRO Nc1nc2c(c(N)n1)C[C@]1(CCC[N@H+](Cc3c[nH]nc3-c3ccc(F)cc3)CC1)O2 ZINC000257255277 568791694 /nfs/dbraw/zinc/79/16/94/568791694.db2.gz KGWCMEGBUYDLFV-OAQYLSRUSA-N 1 0 409.469 2.530 40 0 HFABRO CC(C)CC(=O)N1CCC(COc2ccccc2)(CC(=O)N2CCN(C)CC2)CC1 ZINC000257266742 568794592 /nfs/dbraw/zinc/79/45/92/568794592.db2.gz MEHPSGHLFQXWFR-UHFFFAOYSA-N 1 0 415.578 2.884 40 0 HFABRO NC(=O)[C@@]1(c2ccccn2)CCCN(C(=O)c2ccccc2C[NH+]2CCCCC2)C1 ZINC000257273592 568796542 /nfs/dbraw/zinc/79/65/42/568796542.db2.gz NHIBODAUNBWAFJ-DEOSSOPVSA-N 1 0 406.530 2.727 40 0 HFABRO Cc1ccc(C[C@H]2CC[C@@H]3C[N@@H+](CC(=O)Nc4ccc5c(c4)oc(=O)n5C)C[C@H]23)nc1 ZINC000257295048 568803019 /nfs/dbraw/zinc/80/30/19/568803019.db2.gz QWSIEZDOFDUMNK-MBOZVWFJSA-N 1 0 420.513 2.974 40 0 HFABRO CNc1cc(CN(C)C(=O)CCN(C)c2ccc(F)cc2)nc([C@H]2CCC[NH2+]2)n1 ZINC000019759872 568870681 /nfs/dbraw/zinc/87/06/81/568870681.db2.gz MKFJGPPVVVQFKI-GOSISDBHSA-N 1 0 400.502 2.567 40 0 HFABRO O=C(NCC1CC1)[C@]12CN(c3ncccn3)C[C@@H]1C[N@H+](Cc1ccc(F)cc1)CCC2 ZINC000306125843 568888582 /nfs/dbraw/zinc/88/85/82/568888582.db2.gz DDQASADPCXHWGX-GBXCKJPGSA-N 1 0 423.536 2.861 40 0 HFABRO CN1C[C@@H](C(=O)NCc2cccs2)OC2(CC[NH+](Cc3ccsc3)CC2)C1 ZINC000306127246 568890094 /nfs/dbraw/zinc/89/00/94/568890094.db2.gz FTAANNXCOPCTMZ-SFHVURJKSA-N 1 0 405.589 2.791 40 0 HFABRO COc1ccccc1C[N@@H+]1C[C@@H]2Cn3c(nnc3C(=O)Nc3ccccc3)C[C@@H]2C1 ZINC000306128551 568891384 /nfs/dbraw/zinc/89/13/84/568891384.db2.gz HDUAANRXOSDPSF-QZTJIDSGSA-N 1 0 403.486 2.843 40 0 HFABRO CC[C@H](C)NC(=O)c1nnc2n1CC1(CC[NH+](Cc3ccc(F)cc3)CC1)COC2 ZINC000306130186 568892512 /nfs/dbraw/zinc/89/25/12/568892512.db2.gz IYWLIFKMVFWKBT-INIZCTEOSA-N 1 0 415.513 2.758 40 0 HFABRO O=C1N(Cc2ccncc2)CCO[C@]12C[N@H+](Cc1cccs1)C[C@@H]2c1cccnc1 ZINC000306135899 568897652 /nfs/dbraw/zinc/89/76/52/568897652.db2.gz PEBRGZHAEDBTTO-GGAORHGYSA-N 1 0 420.538 2.935 40 0 HFABRO Cc1noc(C)c1C[N@@H+]1CC[C@]2(C1)COCc1cnc(N3CCC(F)(F)CC3)nc12 ZINC000306137477 568899412 /nfs/dbraw/zinc/89/94/12/568899412.db2.gz QXLSWWIOUDPNSY-FQEVSTJZSA-N 1 0 419.476 2.991 40 0 HFABRO Cc1ccc(C[N@H+]2C[C@@H]3c4nc(=O)c(C(=O)NC5CCCCC5)cn4C[C@@H]3C2)s1 ZINC000306139697 568901714 /nfs/dbraw/zinc/90/17/14/568901714.db2.gz TXWHKQJVHSEQFR-YJBOKZPZSA-N 1 0 412.559 2.905 40 0 HFABRO O=S(=O)(c1cccc(F)c1)N1CCO[C@]2(CCCC[C@@H]2[NH2+]Cc2cccnc2)C1 ZINC000306143477 568904844 /nfs/dbraw/zinc/90/48/44/568904844.db2.gz YDCVOTFNQCKWLQ-LEWJYISDSA-N 1 0 419.522 2.713 40 0 HFABRO CC(C)(C)CNC(=O)c1[nH]nc2c1COC[C@@]21CC[N@H+](Cc2ccc(F)cc2)C1 ZINC000306143942 568905162 /nfs/dbraw/zinc/90/51/62/568905162.db2.gz YRISHPHMVOMOGJ-QFIPXVFZSA-N 1 0 400.498 2.999 40 0 HFABRO O=C1N(Cc2ccsc2)CCO[C@@]12C[N@H+](Cc1cccnc1)C[C@H]2c1cccnc1 ZINC000306144528 568905887 /nfs/dbraw/zinc/90/58/87/568905887.db2.gz ZHWCALRBPJPEOD-JTHBVZDNSA-N 1 0 420.538 2.935 40 0 HFABRO C[NH+](C)CCNc1nc(NCc2ccc(Br)cc2)cc(C(F)(F)F)n1 ZINC000328974932 568970840 /nfs/dbraw/zinc/97/08/40/568970840.db2.gz FICIPHLNILAYTK-UHFFFAOYSA-N 1 0 418.261 2.687 40 0 HFABRO CCc1cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)nc(NC2CCCC2)[nH+]1 ZINC000329072264 568976004 /nfs/dbraw/zinc/97/60/04/568976004.db2.gz ZWUFPYYKPVWKTB-UHFFFAOYSA-N 1 0 401.536 2.604 40 0 HFABRO C[NH+](C)CCCNC(=O)c1ccc(CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 ZINC000010337863 569343985 /nfs/dbraw/zinc/34/39/85/569343985.db2.gz VWMXGASWIBQYHC-UHFFFAOYSA-N 1 0 423.966 2.988 40 0 HFABRO O=C(CN1CCC[N@@H+](Cc2cccc(F)c2)CC1)N1CCC[C@@H](c2csnn2)C1 ZINC000019293854 569345410 /nfs/dbraw/zinc/34/54/10/569345410.db2.gz IAJCKCYBIUDIQZ-GOSISDBHSA-N 1 0 417.554 2.591 40 0 HFABRO [NH3+][C@@H](CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C1(O)COC1 ZINC000584883998 569367543 /nfs/dbraw/zinc/36/75/43/569367543.db2.gz STXUNQBLENNEOW-QHCPKHFHSA-N 1 0 416.521 2.964 40 0 HFABRO Cc1c(F)cccc1NC(=O)CN(C)Cc1cc(N(C)C)nc([C@H]2CCC[NH2+]C2)n1 ZINC000019709732 569428824 /nfs/dbraw/zinc/42/88/24/569428824.db2.gz QQOLWVPRPSBYMK-INIZCTEOSA-N 1 0 414.529 2.528 40 0 HFABRO CN1CCC([NH2+]C[C@H]2O[C@H](Cc3cc(-c4ccc(F)cc4)on3)CC[C@@H]2O)CC1 ZINC000077262593 291220684 /nfs/dbraw/zinc/22/06/84/291220684.db2.gz CYXPDXQFBYVEES-JAXLGGSGSA-N 1 0 403.498 2.616 40 0 biogenic,in-vitro HFABRO COCCN1CCN(C(=O)[C@@H]2Cc3cn(C)c4cccc(c34)[C@H](CC(C)C)[NH2+]2)CC1 ZINC000049171519 291221963 /nfs/dbraw/zinc/22/19/63/291221963.db2.gz LFTIXJNMPRZMCI-SFTDATJTSA-N 1 0 412.578 2.570 40 0 biogenic,in-vitro HFABRO COC[C@H]1CCCN1Cc1nc(C2(O)CCN(C(=O)c3ccccc3)CC2)cs1 ZINC000225466670 291222326 /nfs/dbraw/zinc/22/23/26/291222326.db2.gz DMEICSOSMUNWKQ-GOSISDBHSA-N 1 0 415.559 2.878 40 0 biogenic,in-vitro HFABRO COc1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)COc4ccccc4)CCN3C(C)(C)C2)cc1 ZINC000253402180 291225148 /nfs/dbraw/zinc/22/51/48/291225148.db2.gz NZZARFJDMROALP-OAQYLSRUSA-N 1 0 423.557 2.881 40 0 biogenic,in-vitro HFABRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)C1 ZINC000044846241 525210496 /nfs/dbraw/zinc/21/04/96/525210496.db2.gz QEWJJMOPOPYCDC-ZIAGYGMSSA-N 1 0 401.960 2.809 40 0 HFABRO Cc1nc([C@@H]2CCC[N@H+](CCO)C2)nc2c1CCC(=O)N2CCCc1ccccc1 ZINC000019741638 558262229 /nfs/dbraw/zinc/26/22/29/558262229.db2.gz CDZXKRZKFMYYDG-HXUWFJFHSA-N 1 0 408.546 2.869 40 0 HFABRO CCc1nn(CC(=O)NCCC[N@@H+]2CCC[C@@H](C)C2)c(=O)c2cc3ccsc3n21 ZINC000012114306 558327254 /nfs/dbraw/zinc/32/72/54/558327254.db2.gz ULBHZPHCOSPAPL-OAHLLOKOSA-N 1 0 415.563 2.511 40 0 HFABRO C[C@H]1C[C@H](C)C[NH+](CC(=O)N2CCC(c3cc(=O)n4c(n3)CCCCC4)CC2)C1 ZINC000012235898 558358826 /nfs/dbraw/zinc/35/88/26/558358826.db2.gz WXEGXCOVYOMXLN-ROUUACIJSA-N 1 0 400.567 2.654 40 0 HFABRO COc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(O)ccc2O3)cc1OC ZINC000012329694 558384571 /nfs/dbraw/zinc/38/45/71/558384571.db2.gz AUFMEMBJPLRYFX-RBUKOAKNSA-N 1 0 415.486 2.794 40 0 HFABRO [NH2+]=C(NC1=N[C@@H](CC(=O)Nc2cccc3ccccc32)C(=O)N1)Nc1ccccc1 ZINC000020635274 558395698 /nfs/dbraw/zinc/39/56/98/558395698.db2.gz GCXBKACMYFQLEC-SFHVURJKSA-N 1 0 400.442 2.659 40 0 HFABRO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@H]1c1ccc(OCC)cc1 ZINC000020636803 558396139 /nfs/dbraw/zinc/39/61/39/558396139.db2.gz XFWNWTMHNMWJBT-RTWAWAEBSA-N 1 0 421.497 2.850 40 0 HFABRO [NH2+]=C(NC1=N[C@H](CC(=O)Nc2cccc(Cl)c2Cl)C(=O)N1)Nc1ccccc1 ZINC000020799130 558415117 /nfs/dbraw/zinc/41/51/17/558415117.db2.gz WYXOGWBTUGBAFD-CYBMUJFWSA-N 1 0 419.272 2.813 40 0 HFABRO CCOC(=O)C1=C(O)NC(N2CCN(c3ccccc3)CC2)=[NH+][C@@H]1c1cccc(C)c1 ZINC000020801405 558415302 /nfs/dbraw/zinc/41/53/02/558415302.db2.gz OHRMUNGSBUFMIO-LEWJYISDSA-N 1 0 420.513 2.523 40 0 HFABRO COc1cc(CNCC[NH2+]CCO)cc(Br)c1OCc1ccccc1 ZINC000022075131 558462515 /nfs/dbraw/zinc/46/25/15/558462515.db2.gz YLZXGELGTYPAEQ-UHFFFAOYSA-N 1 0 409.324 2.708 40 0 HFABRO CC1CC[NH+](CCCNC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)CC1 ZINC000013632055 558552526 /nfs/dbraw/zinc/55/25/26/558552526.db2.gz CVPYSPOCPCPLKJ-UHFFFAOYSA-N 1 0 413.559 2.610 40 0 HFABRO Cc1ccc(N(CC(=O)NCCC[NH+](C)C)S(=O)(=O)c2ccccc2)cc1C ZINC000013674095 558563675 /nfs/dbraw/zinc/56/36/75/558563675.db2.gz RWGWWYBGXSHRNC-UHFFFAOYSA-N 1 0 403.548 2.567 40 0 HFABRO C[C@H](C(=O)NCCC[NH+]1CCCCCC1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013674455 558563858 /nfs/dbraw/zinc/56/38/58/558563858.db2.gz WFIWTQAKIQYICF-MRXNPFEDSA-N 1 0 415.987 2.877 40 0 HFABRO COc1cccc(N2CC[NH+](C[C@@H](O)c3ccc4c(c3)CCCN4C(C)=O)CC2)c1 ZINC000036741183 558801825 /nfs/dbraw/zinc/80/18/25/558801825.db2.gz RKMXCJZZJYFEFJ-XMMPIXPASA-N 1 0 409.530 2.850 40 0 HFABRO COc1ccc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2NC(=O)c2ccn[nH]2)cc1OC ZINC000036743730 558802458 /nfs/dbraw/zinc/80/24/58/558802458.db2.gz IALMOKWDCFFHBZ-QUCCMNQESA-N 1 0 406.486 2.825 40 0 HFABRO Cc1ccc2c(c1)C(=O)N(CC(=O)N[C@H]1CCCC[C@H]1C)CC1(CC[NH+](C)CC1)O2 ZINC000019218562 558851174 /nfs/dbraw/zinc/85/11/74/558851174.db2.gz CGFCRNWESZICNR-QUCCMNQESA-N 1 0 413.562 2.989 40 0 HFABRO Cc1ccc2c(c1)C(=O)N(CC(=O)N[C@@H]1CCCC[C@H]1C)CC1(CC[NH+](C)CC1)O2 ZINC000019218567 558851186 /nfs/dbraw/zinc/85/11/86/558851186.db2.gz CGFCRNWESZICNR-UYAOXDASSA-N 1 0 413.562 2.989 40 0 HFABRO Cn1nc(-c2ccccn2)cc1C[NH+]1CCC(NC(=O)Cc2ccccc2F)CC1 ZINC000019288960 558861733 /nfs/dbraw/zinc/86/17/33/558861733.db2.gz GFTCBPQTKJZHAK-UHFFFAOYSA-N 1 0 407.493 2.945 40 0 HFABRO O=C(C[N@H+]1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(F)cc1)CN2C(=O)C1CC1)N1CCCCC1 ZINC000019336339 558870143 /nfs/dbraw/zinc/87/01/43/558870143.db2.gz IQEHLUPPBKASRP-YPAWHYETSA-N 1 0 413.537 2.865 40 0 HFABRO C[C@H]1CCCC[N@@H+]1CCC(=O)N1CCN([C@H](c2nccn2C)c2ccccc2)CC1 ZINC000019496366 558895252 /nfs/dbraw/zinc/89/52/52/558895252.db2.gz HRWNLWZLTCLSLP-REWPJTCUSA-N 1 0 409.578 2.918 40 0 HFABRO CCn1nccc1C(=O)N1CCc2nc([C@@H]3CCC[N@@H+]3C3CCCCC3)[nH]c(=O)c2C1 ZINC000019524163 558905463 /nfs/dbraw/zinc/90/54/63/558905463.db2.gz WXLNIKXCUBBGQC-IBGZPJMESA-N 1 0 424.549 2.654 40 0 HFABRO CCN1CC[NH+](C2CCN(C(=O)c3c(C)n(CCOC)c4ccccc43)CC2)CC1 ZINC000019528133 558909234 /nfs/dbraw/zinc/90/92/34/558909234.db2.gz ARVHOHUEIRSOJV-UHFFFAOYSA-N 1 0 412.578 2.838 40 0 HFABRO CCOCc1cc(C[N@@H+]2CCc3nc(N4CCCC4)[nH]c(=O)c3CC2)ccc1OC ZINC000019531184 558911607 /nfs/dbraw/zinc/91/16/07/558911607.db2.gz NCAISEVZYVOQSQ-UHFFFAOYSA-N 1 0 412.534 2.516 40 0 HFABRO Cc1cc(C)n(Cc2c(C)onc2C(=O)N(Cc2cccnc2)C2CC[NH+](C)CC2)n1 ZINC000019574307 558931988 /nfs/dbraw/zinc/93/19/88/558931988.db2.gz FDGKOMZHSGZMOI-UHFFFAOYSA-N 1 0 422.533 2.976 40 0 HFABRO Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NC3CC[NH+](C)CC3)c2)cc1 ZINC000060859451 558943788 /nfs/dbraw/zinc/94/37/88/558943788.db2.gz AMLOVQHGVGRXGG-UHFFFAOYSA-N 1 0 401.532 2.644 40 0 HFABRO O=C([C@H](c1ccccc1)[NH+]1CCCC1)N1CCC2(CC1)NC(=O)c1ccccc1O2 ZINC000072347638 558944693 /nfs/dbraw/zinc/94/46/93/558944693.db2.gz DXWIJERXYGPLQH-NRFANRHFSA-N 1 0 405.498 2.965 40 0 HFABRO COc1cc(Cl)c(C[N@@H+]2CCc3nc(N4CCCC4)[nH]c(=O)c3CC2)cc1OC ZINC000019594937 558945902 /nfs/dbraw/zinc/94/59/02/558945902.db2.gz HGZCUTZKBOTEPD-UHFFFAOYSA-N 1 0 418.925 2.642 40 0 HFABRO Cc1cc(C)nc(Nc2ccc([C@@H]3CCC[N@H+](CCC(=O)N4CCOCC4)C3)nc2)n1 ZINC000072353280 558950239 /nfs/dbraw/zinc/95/02/39/558950239.db2.gz RYQAGXFYDAYBOA-LJQANCHMSA-N 1 0 424.549 2.660 40 0 HFABRO COc1ccc2c(c1)c(C[C@@H](C)NC(=O)c1ccnc(N3CC[NH+](C)CC3)c1)cn2C ZINC000019662595 558953584 /nfs/dbraw/zinc/95/35/84/558953584.db2.gz VVXCDVCYBOFKIJ-QGZVFWFLSA-N 1 0 421.545 2.695 40 0 HFABRO CC(=O)N1C[C@H](C(=O)N(C)C)[C@@H](c2ccc(C[N@H+](C)Cc3cnc(C)s3)cc2)C1 ZINC000072370199 558956345 /nfs/dbraw/zinc/95/63/45/558956345.db2.gz WIQQRHFNXSVRMO-RTWAWAEBSA-N 1 0 414.575 2.734 40 0 HFABRO Cc1cc(C)nc(Nc2cc(C)[nH+]c([C@@H]3CCCN(C(=O)CN4CCOCC4)C3)c2)n1 ZINC000072374931 558963366 /nfs/dbraw/zinc/96/33/66/558963366.db2.gz ACHRLWAPMQYVFH-LJQANCHMSA-N 1 0 424.549 2.579 40 0 HFABRO CC(C)(C)NC(=O)CNC(=O)c1ccc([C@@H]2CCC[N@H+](Cc3ccccn3)C2)nc1 ZINC000019706072 558968720 /nfs/dbraw/zinc/96/87/20/558968720.db2.gz OHFNYVPVTSOPAY-GOSISDBHSA-N 1 0 409.534 2.501 40 0 HFABRO COc1cc(C[N@@H+]2CCC[C@@H](c3nnc(-c4cnccn4)o3)C2)cc(OC)c1OC ZINC000072390056 558970456 /nfs/dbraw/zinc/97/04/56/558970456.db2.gz XYJTYJVZCMAXJG-OAHLLOKOSA-N 1 0 411.462 2.932 40 0 HFABRO CNc1nc([C@H]2CCC[N@H+](C)C2)nc2c1CCN(C(=O)CCc1ccc(OC)cc1)C2 ZINC000019708863 558971445 /nfs/dbraw/zinc/97/14/45/558971445.db2.gz KQRYZQUMMQRXOA-SFHVURJKSA-N 1 0 423.561 2.854 40 0 HFABRO CNc1nc([C@H]2CCC[N@H+](C)C2)nc2c1CN(C(=O)COc1c(C)cccc1C)CC2 ZINC000019710559 558972545 /nfs/dbraw/zinc/97/25/45/558972545.db2.gz FPPWXLODSXQIOK-SFHVURJKSA-N 1 0 423.561 2.908 40 0 HFABRO CCn1nc([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)c2ccccc2c1=O ZINC000019716944 558979251 /nfs/dbraw/zinc/97/92/51/558979251.db2.gz JHWMXRSWXLDJQC-QGZVFWFLSA-N 1 0 419.529 2.696 40 0 HFABRO Cc1ccc(C(=O)N2CCC3(CO[C@H](C[N@H+]4CC[C@@H](C)[C@H](O)C4)C3)CC2)cc1F ZINC000585104185 559025879 /nfs/dbraw/zinc/02/58/79/559025879.db2.gz MJCASPNYPAQUGJ-SLYNCCJLSA-N 1 0 404.526 2.848 40 0 HFABRO C[N@H+](C[C@@H]1CC2(CO1)CCN(C(=O)c1ccc(O)cc1)CC2)[C@H]1CC[C@H](O)CC1 ZINC000585104465 559027019 /nfs/dbraw/zinc/02/70/19/559027019.db2.gz OXKVZPOPKVHKKE-JBACZVJFSA-N 1 0 402.535 2.639 40 0 HFABRO C[N@H+](C[C@H]1CC2(CO1)CCN(C(=O)Cc1ccc(O)cc1)CC2)[C@H]1CC[C@H](O)CC1 ZINC000585105134 559027593 /nfs/dbraw/zinc/02/75/93/559027593.db2.gz ZBHZCELWADLKAR-CEMLEFRQSA-N 1 0 416.562 2.568 40 0 HFABRO CCN1CC[C@]2(CN(C(=O)N(C)C)CC23CC[NH+](Cc2cccs2)CC3)C1=O ZINC000096036566 559090432 /nfs/dbraw/zinc/09/04/32/559090432.db2.gz ZVYHVCUEMLGDED-NRFANRHFSA-N 1 0 404.580 2.566 40 0 HFABRO CC(C)C[N@@H+]1CC2(CCN(C(=O)c3ccc4ccccc4n3)CC2)[C@]2(CCNC2=O)C1 ZINC000096144159 559096468 /nfs/dbraw/zinc/09/64/68/559096468.db2.gz YGLHLAGGQXSBCV-RUZDIDTESA-N 1 0 420.557 2.935 40 0 HFABRO C[NH+](C)[C@H]1CCN(C(=O)c2cc(-c3cnc(N4CCCC4)nc3)cn2CC2CC2)C1 ZINC000096147687 559098663 /nfs/dbraw/zinc/09/86/63/559098663.db2.gz GWPLMDKENZFCGB-FQEVSTJZSA-N 1 0 408.550 2.731 40 0 HFABRO O=C(NCc1cccnc1)[C@H]1Cn2ccnc2C2(CC[NH+](Cc3ccsc3)CC2)O1 ZINC000096243822 559104902 /nfs/dbraw/zinc/10/49/02/559104902.db2.gz WTFWLZIMNGPQNC-LJQANCHMSA-N 1 0 423.542 2.546 40 0 HFABRO CC(=O)N[C@]12C[N@H+](Cc3ccc(O)cc3)[C@H](c3ccccc3)[C@H]1CCN(C(C)=O)C2 ZINC000585261352 559108836 /nfs/dbraw/zinc/10/88/36/559108836.db2.gz XHTFGTGJJUEHLM-WXFUMESZSA-N 1 0 407.514 2.692 40 0 HFABRO COc1ccc(C[N@H+](C)C[C@]2(O)CCN(Cc3ccc(OCCCO)cc3)C2)cc1 ZINC000585269642 559115832 /nfs/dbraw/zinc/11/58/32/559115832.db2.gz FOVOWTROKBMMFR-XMMPIXPASA-N 1 0 414.546 2.525 40 0 HFABRO O=C(C[N@H+]1CCC[C@@](O)(COc2ccccc2F)CC1)NCCOc1ccccc1 ZINC000585273758 559118300 /nfs/dbraw/zinc/11/83/00/559118300.db2.gz QQSDILQUMCCDCP-QHCPKHFHSA-N 1 0 416.493 2.617 40 0 HFABRO Cc1cccc(C[NH2+]C[C@@]2(O)CCN(C(=O)c3ccc(Cl)cc3)C[C@@H]2O)c1C ZINC000585285586 559121544 /nfs/dbraw/zinc/12/15/44/559121544.db2.gz QTDCBCUPFGUFRP-UNMCSNQZSA-N 1 0 402.922 2.685 40 0 HFABRO O=C(c1ccc(Cl)cc1)N1CC[C@](O)(C[NH2+]Cc2ccccc2Cl)[C@@H](O)C1 ZINC000585285802 559121664 /nfs/dbraw/zinc/12/16/64/559121664.db2.gz UDLXHVKHFAIJAB-ICSRJNTNSA-N 1 0 409.313 2.721 40 0 HFABRO O=C(c1ccc(Cl)cc1)N1CC[C@@H](O)[C@](O)(C[NH2+]Cc2ccc(Cl)cc2)C1 ZINC000585286816 559122011 /nfs/dbraw/zinc/12/20/11/559122011.db2.gz VMRAOCRENPQETR-QUCCMNQESA-N 1 0 409.313 2.721 40 0 HFABRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000072216531 559169557 /nfs/dbraw/zinc/16/95/57/559169557.db2.gz PQHUSTOYYHCGAD-HXUWFJFHSA-N 1 0 400.548 2.668 40 0 HFABRO Cc1ccc(OC[C@]2(O)CCC[N@H+](CC(=O)NCCOc3ccccc3)CC2)cc1 ZINC000257233731 559283894 /nfs/dbraw/zinc/28/38/94/559283894.db2.gz GQMSSPVNFHGYAE-DEOSSOPVSA-N 1 0 412.530 2.786 40 0 HFABRO Cn1c[n+](C[C@H](O)COc2ccc(I)cc2)c2ccccc21 ZINC000000889940 560542122 /nfs/dbraw/zinc/54/21/22/560542122.db2.gz XZOXNHHZUJKZKG-AWEZNQCLSA-N 1 0 409.247 2.510 40 0 HFABRO Cc1ccc2cc(CN(CC[NH+](C)C)C(=S)NC[C@H]3CCCO3)c(=O)[nH]c2c1C ZINC000004133493 560600467 /nfs/dbraw/zinc/60/04/67/560600467.db2.gz RKSBCKJHWDGMTR-LJQANCHMSA-N 1 0 416.591 2.562 40 0 HFABRO CCOc1ccc2[nH]c(=O)c(CN(CC[NH+](C)C)C(=S)NCC(C)C)cc2c1 ZINC000004133611 560600661 /nfs/dbraw/zinc/60/06/61/560600661.db2.gz IETVVPBZNOQCPX-UHFFFAOYSA-N 1 0 404.580 2.821 40 0 HFABRO CC[NH+](CC)CCN(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C(=S)NCCOC ZINC000004133809 560600786 /nfs/dbraw/zinc/60/07/86/560600786.db2.gz RGWXNLGRLRMVRB-UHFFFAOYSA-N 1 0 418.607 2.810 40 0 HFABRO C[NH+](C)CCCNC(=S)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1 ZINC000004967006 560621950 /nfs/dbraw/zinc/62/19/50/560621950.db2.gz RPQNAMWBKLRRFG-UHFFFAOYSA-N 1 0 407.584 2.897 40 0 HFABRO COc1ccc(NC(=O)NC2(C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)CCCCC2)cc1 ZINC000004982004 560623044 /nfs/dbraw/zinc/62/30/44/560623044.db2.gz RLRWWQUCRQGFIR-GOSISDBHSA-N 1 0 400.523 2.826 40 0 HFABRO COc1cccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccccc3)[C@H]2c2ccccc2)c1 ZINC000409057254 560670535 /nfs/dbraw/zinc/67/05/35/560670535.db2.gz JZWSYJHHGRLXPQ-NQQNOTTHSA-O 1 0 400.458 2.711 40 0 HFABRO COc1ccc([C@@H]2[C@@H](NC(=O)c3ccccc3)C(=O)N/[N+]2=C\c2ccc(F)cc2)cc1 ZINC000409061951 560671835 /nfs/dbraw/zinc/67/18/35/560671835.db2.gz KLDYBDRAVOVYNG-KSYIGNPDSA-O 1 0 418.448 2.850 40 0 HFABRO Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCCC[NH+]1CCCC1 ZINC000010450187 560769770 /nfs/dbraw/zinc/76/97/70/560769770.db2.gz XVPZNIHVGUQEEX-UHFFFAOYSA-N 1 0 407.580 2.631 40 0 HFABRO COC(=O)c1cc(N2CC[NH+](C)CC2)ccc1NCc1cc2cc(C)ccc2[nH]c1=O ZINC000013565088 560813213 /nfs/dbraw/zinc/81/32/13/560813213.db2.gz ARUBYAWQDJHCSV-UHFFFAOYSA-N 1 0 420.513 2.987 40 0 HFABRO COc1ncc([C@]2(O)CCC[C@@H]3C[N@H+](Cc4cc(F)cc(F)c4)C[C@@H]32)c(OC)n1 ZINC000019594817 560875350 /nfs/dbraw/zinc/87/53/50/560875350.db2.gz PBTAOUAWCZBFLG-YMTYPPQLSA-N 1 0 405.445 2.892 40 0 HFABRO Cc1ccc([C@H](c2nnnn2C[C@@H]2CCCO2)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000020140732 560881431 /nfs/dbraw/zinc/88/14/31/560881431.db2.gz OHQUQEPLOXLIAC-FCHUYYIVSA-N 1 0 410.566 2.810 40 0 HFABRO CCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@H]1C[NH+](C)C ZINC000057773608 568497660 /nfs/dbraw/zinc/49/76/60/568497660.db2.gz PHWFXJBBPYKLBM-YADHBBJMSA-N 1 0 423.557 2.865 40 0 HFABRO CCCC(=O)N[C@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@@H]1C[NH+](C)C ZINC000057773604 568497673 /nfs/dbraw/zinc/49/76/73/568497673.db2.gz PHWFXJBBPYKLBM-FCHUYYIVSA-N 1 0 423.557 2.865 40 0 HFABRO C[NH+](C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1C[C@@H]1CCCO1 ZINC000223219663 568541382 /nfs/dbraw/zinc/54/13/82/568541382.db2.gz ODKNYGKHWPGPSE-YYWHXJBOSA-N 1 0 413.591 2.986 40 0 HFABRO COC(=O)CSc1nnc(NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)s1 ZINC000223304816 568544610 /nfs/dbraw/zinc/54/46/10/568544610.db2.gz YJNRIJDWHPKFBK-UHFFFAOYSA-N 1 0 424.523 2.793 40 0 HFABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000223330473 568545462 /nfs/dbraw/zinc/54/54/62/568545462.db2.gz MPBBIDNTGOVEAU-QGZVFWFLSA-N 1 0 415.987 2.731 40 0 HFABRO CS(=O)(=O)N(CC(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1ccccc1F ZINC000224599726 568587351 /nfs/dbraw/zinc/58/73/51/568587351.db2.gz VZYSSQWOERLMKE-UHFFFAOYSA-N 1 0 419.522 2.504 40 0 HFABRO COC(=O)c1cc(S(=O)(=O)NCc2cccc(C[NH+]3CCCC3)c2)ccc1C ZINC000224636790 568589754 /nfs/dbraw/zinc/58/97/54/568589754.db2.gz MMQGDYGDAQXOCY-UHFFFAOYSA-N 1 0 402.516 2.856 40 0 HFABRO CS(=O)(=O)N(CC(=O)NCc1cccc(C[NH+]2CCCCC2)c1)c1ccccc1 ZINC000224652717 568590744 /nfs/dbraw/zinc/59/07/44/568590744.db2.gz CEPLKKFKWGMVMI-UHFFFAOYSA-N 1 0 415.559 2.755 40 0 HFABRO Cc1ccccc1N(CCCC(=O)NCCC[N@H+]1CCC[C@@H](C)C1)S(C)(=O)=O ZINC000224976432 568606970 /nfs/dbraw/zinc/60/69/70/568606970.db2.gz MJGOGHIEENFBHM-GOSISDBHSA-N 1 0 409.596 2.779 40 0 HFABRO CN(C)c1ncc2c(n1)[C@@]1(CC[N@H+](Cc3ccc(O)c(C(F)(F)F)c3)C1)COC2 ZINC000248145038 568747676 /nfs/dbraw/zinc/74/76/76/568747676.db2.gz VPHCTKOJUJZYCJ-LJQANCHMSA-N 1 0 408.424 2.941 40 0 HFABRO COC[C@H](C)NC(=O)CN1CCC(c2cc(Nc3ccc(F)cn3)cc(C)[nH+]2)CC1 ZINC000257213063 568780028 /nfs/dbraw/zinc/78/00/28/568780028.db2.gz CGBDCSXWZUTLDU-INIZCTEOSA-N 1 0 415.513 2.998 40 0 HFABRO CC[N@H+](Cc1ccncc1)C[C@@]1(O)CCCN(C(=O)CC2(O)CCCCC2)CC1 ZINC000257221771 568782564 /nfs/dbraw/zinc/78/25/64/568782564.db2.gz DQLGNLGLMRZYPB-HSZRJFAPSA-N 1 0 403.567 2.732 40 0 HFABRO C[N@@H+]1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1cc(=O)[nH]c(=O)[nH]1 ZINC000257223398 568782996 /nfs/dbraw/zinc/78/29/96/568782996.db2.gz DXECONHSNYFTOJ-BORCDFBASA-N 1 0 422.529 2.977 40 0 HFABRO Cc1ccc(C(=O)NC[C@]2(c3ccccc3)CC[C@@H](O)[C@H]([NH+]3CCOCC3)CC2)cn1 ZINC000257229368 568784791 /nfs/dbraw/zinc/78/47/91/568784791.db2.gz FXVRILFHNXKLMZ-VDKIKQQVSA-N 1 0 423.557 2.694 40 0 HFABRO CN(Cc1ccccc1)C(=O)C[C@H]1CN(C(=O)C[NH+](C)C)CC[C@@H]1Oc1ccccc1 ZINC000257247950 568789733 /nfs/dbraw/zinc/78/97/33/568789733.db2.gz JBHMRZFLVKYAGD-GMAHTHKFSA-N 1 0 423.557 2.893 40 0 HFABRO C[N@@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C(=O)Cn1cccnc1=O)[C@@H]2Cc1ccccc1 ZINC000257274909 568796890 /nfs/dbraw/zinc/79/68/90/568796890.db2.gz NNEGFEDZQBMPMP-HNTODFAGSA-N 1 0 420.557 2.718 40 0 HFABRO Cc1ccc(-c2cc(C(=O)N3CCC4(CC3)C[C@H]([NH+](C)C)[C@@](C)(O)CO4)no2)cc1 ZINC000257279753 568798301 /nfs/dbraw/zinc/79/83/01/568798301.db2.gz OIANUMUFRZJISQ-UNMCSNQZSA-N 1 0 413.518 2.726 40 0 HFABRO O=C(c1c[nH]nc1[C@@H]1CCC[N@H+](Cc2ccnc3ccccc23)C1)N1CCOCC1 ZINC000257286822 568800701 /nfs/dbraw/zinc/80/07/01/568800701.db2.gz PNEWNRPQTDHETD-GOSISDBHSA-N 1 0 405.502 2.810 40 0 HFABRO CC(C)[NH+]1CCC(C(=O)N2CC[C@H](Oc3cccc(Cl)c3)[C@@H](CC(N)=O)C2)CC1 ZINC000257289962 568801480 /nfs/dbraw/zinc/80/14/80/568801480.db2.gz QAXXIWUKKFELRN-PXNSSMCTSA-N 1 0 421.969 2.932 40 0 HFABRO CC[N@H+](Cc1ccncc1)C[C@]1(O)CCCN(C(=O)c2n[nH]c3ccccc32)CC1 ZINC000257298558 568804045 /nfs/dbraw/zinc/80/40/45/568804045.db2.gz RMGBXCYZLBOUIJ-QHCPKHFHSA-N 1 0 407.518 2.837 40 0 HFABRO COc1ccc(C[N@H+](C)C[C@]2(O)CCCN(C(=O)c3sc(N)nc3C)CC2)cc1 ZINC000257309669 568807379 /nfs/dbraw/zinc/80/73/79/568807379.db2.gz UBWZMVYNKNDZBT-NRFANRHFSA-N 1 0 418.563 2.532 40 0 HFABRO CNC(=O)[C@]1(c2ccccn2)CCCN1Cc1ccccc1OCC[NH+]1CCCC1 ZINC000257335180 568814669 /nfs/dbraw/zinc/81/46/69/568814669.db2.gz YIYSFIRHDUNAHF-XMMPIXPASA-N 1 0 408.546 2.794 40 0 HFABRO Cc1nc2cc(C(=O)N3CCC[C@](C)(C(=O)NCC4CC[NH+](C)CC4)C3)ccc2[nH]1 ZINC000257337423 568815242 /nfs/dbraw/zinc/81/52/42/568815242.db2.gz YSRZMOLFXDZTKS-QHCPKHFHSA-N 1 0 411.550 2.572 40 0 HFABRO COC[C@@]1(C[NH3+])[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218217236 568836367 /nfs/dbraw/zinc/83/63/67/568836367.db2.gz WHDXJJAXFNAVHT-BZSNNMDCSA-N 1 0 410.333 2.980 40 0 HFABRO O=C1CCCN1c1ncc2c(n1)[C@]1(CC[N@H+](Cc3ccc4ccccc4n3)C1)COC2 ZINC000306123651 568886731 /nfs/dbraw/zinc/88/67/31/568886731.db2.gz ATCNABHJHBTVST-DEOSSOPVSA-N 1 0 415.497 2.826 40 0 HFABRO Cc1ccc(C[N@@H+]2C[C@@H]3Cn4c(nnc4C(=O)NCc4ccccc4)C[C@@H]3C2)cc1 ZINC000306124167 568887250 /nfs/dbraw/zinc/88/72/50/568887250.db2.gz BIDZOQMXHYZDLS-NHCUHLMSSA-N 1 0 401.514 2.821 40 0 HFABRO CCOCC(=O)N1CCC2(CC1)Oc1ccccc1-c1c2cnn1CC[NH+]1CCCC1 ZINC000306125642 568888383 /nfs/dbraw/zinc/88/83/83/568888383.db2.gz CWSRERSMSMLZJT-UHFFFAOYSA-N 1 0 424.545 2.893 40 0 HFABRO COc1ccc(C[N@H+]2C[C@@H]3Cc4nnc(C(=O)Nc5ccccc5)n4C[C@@H]3C2)cc1 ZINC000306126392 568889010 /nfs/dbraw/zinc/88/90/10/568889010.db2.gz DULWYHFBIJJQIS-ROUUACIJSA-N 1 0 403.486 2.843 40 0 HFABRO O=C1N(Cc2ccncc2)CCO[C@@]12C[N@H+](Cc1ccsc1)C[C@@H]2c1cccnc1 ZINC000306127323 568889976 /nfs/dbraw/zinc/88/99/76/568889976.db2.gz FVSMCYSPJBBRCU-FYYLOGMGSA-N 1 0 420.538 2.935 40 0 HFABRO O=C(c1ccc2c(c1)OCO2)N1CCO[C@@]2(CCCC[C@H]2[NH2+]Cc2cccnc2)C1 ZINC000306129999 568892559 /nfs/dbraw/zinc/89/25/59/568892559.db2.gz ITRDMNMLAGMEKL-GGAORHGYSA-N 1 0 409.486 2.754 40 0 HFABRO O=C(NC1CCC1)c1nnc2n1CC1(CC2)CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000306133701 568895551 /nfs/dbraw/zinc/89/55/51/568895551.db2.gz MTBHQDJCSVVJSW-UHFFFAOYSA-N 1 0 423.517 2.518 40 0 HFABRO COc1cccc(C[N@H+]2C[C@@H]3Cc4nnc(C(=O)Nc5cccc(F)c5)n4C[C@@H]3C2)c1 ZINC000306135161 568896960 /nfs/dbraw/zinc/89/69/60/568896960.db2.gz OJOVYBFMMGGODG-IRXDYDNUSA-N 1 0 421.476 2.982 40 0 HFABRO COc1cccc(C[N@@H+]2C[C@@H]3Cn4c(nnc4C(=O)NCc4ccccc4)C[C@@H]3C2)c1 ZINC000306136657 568898379 /nfs/dbraw/zinc/89/83/79/568898379.db2.gz PZIDBYXJUVQWLQ-WOJBJXKFSA-N 1 0 417.513 2.521 40 0 HFABRO COCC(=O)N1CCC2(CC1)Oc1ccccc1-c1c2cnn1CC[NH+]1CCCC1 ZINC000306138156 568900208 /nfs/dbraw/zinc/90/02/08/568900208.db2.gz RRDMIGFWDRYMPU-UHFFFAOYSA-N 1 0 410.518 2.502 40 0 HFABRO COC[C@@]1(C[NH3+])[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218181113 568927329 /nfs/dbraw/zinc/92/73/29/568927329.db2.gz XBFJYMNVCOJWGZ-QYZOEREBSA-N 1 0 409.891 2.600 40 0 HFABRO CC(C)(C)OC(=O)N[C@@]1(C[NH3+])[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218657598 568942725 /nfs/dbraw/zinc/94/27/25/568942725.db2.gz IDDWGOGVDCIUJZ-WFXMLNOXSA-N 1 0 420.506 2.988 40 0 HFABRO C[NH+](C)CCCNc1nc(Nc2ccc(F)c(F)c2F)cc(-c2cccnc2)n1 ZINC000329006816 568972347 /nfs/dbraw/zinc/97/23/47/568972347.db2.gz LGGMFFCMNFUPGH-UHFFFAOYSA-N 1 0 402.424 2.907 40 0 HFABRO Cn1nc(C(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@@H]45)[C@H]32)c2ccccc2c1=O ZINC000257198832 569058927 /nfs/dbraw/zinc/05/89/27/569058927.db2.gz JOOVBUDCBFQMDE-OXHIVJRSSA-N 1 0 418.541 2.969 40 0 HFABRO C[C@@H]1C[C@@H](C)CN(C(=O)C[N@@H+]2CCC[C@@H](c3cc(=O)n4c(n3)CCCCC4)C2)C1 ZINC000019462439 569345582 /nfs/dbraw/zinc/34/55/82/569345582.db2.gz CFNKKKRZSVULGS-GUDVDZBRSA-N 1 0 400.567 2.654 40 0 HFABRO C[NH+](C)Cc1cnc2ccnn2c1CC1CCN(C(=O)COc2ccccc2)CC1 ZINC000019704735 569347806 /nfs/dbraw/zinc/34/78/06/569347806.db2.gz KZURMGNODIKYHL-UHFFFAOYSA-N 1 0 407.518 2.651 40 0 HFABRO CSc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)N1CCCCCC1 ZINC000026120900 569350021 /nfs/dbraw/zinc/35/00/21/569350021.db2.gz LKMIERADVBJLHG-UHFFFAOYSA-N 1 0 413.609 2.655 40 0 HFABRO CCN(CC)C(=O)C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1CN(C)CC2=O ZINC000253403006 569365673 /nfs/dbraw/zinc/36/56/73/569365673.db2.gz PGRUXYPAEGYDQA-BZANDQRCSA-N 1 0 413.562 2.790 40 0 HFABRO C[NH+]1CCC(N2C[C@H](O)C[C@H]2c2nc(-c3ccc(OC(F)(F)F)cc3)no2)CC1 ZINC000015674257 291220677 /nfs/dbraw/zinc/22/06/77/291220677.db2.gz JWJDBEQCTRSFDO-ZBFHGGJFSA-N 1 0 412.412 2.837 40 0 biogenic,in-vitro HFABRO CSc1cccc(NC(=O)NC[C@H]2C[C@@H]3CC[N@@H+]2C[C@@H]3CN2CCOCC2)c1 ZINC000012601836 291226480 /nfs/dbraw/zinc/22/64/80/291226480.db2.gz POZQLLWBYIXIPJ-JENIJYKNSA-N 1 0 404.580 2.573 40 0 biogenic,in-vitro HFABRO CCCO[C@H]1CCCN(c2nc(C3CC[NH+](C)CC3)nc3c2CN(C(C)=O)CC3)C1 ZINC000019710498 132469225 /nfs/dbraw/zinc/46/92/25/132469225.db2.gz KSLCRDDJGUAOOJ-IBGZPJMESA-N 1 0 415.582 2.586 40 0 HFABRO CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](CC(C)C)[NH2+][C@@]21C(=O)Nc2c1cccc2Cl ZINC000005346000 557646072 /nfs/dbraw/zinc/64/60/72/557646072.db2.gz SGNGLVARWSWUSU-IQOPSHNNSA-N 1 0 403.910 2.905 40 0 HFABRO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCC[NH+]1CCCCCC1 ZINC000408704230 557729677 /nfs/dbraw/zinc/72/96/77/557729677.db2.gz YUYVOHJOQGQGOC-UHFFFAOYSA-N 1 0 407.580 2.775 40 0 HFABRO C=C1NC(NN)=[NH+][C@H](c2ccc(OCc3ccccc3)c(OCC)c2)C1C(=O)OCC ZINC000408730857 557790817 /nfs/dbraw/zinc/79/08/17/557790817.db2.gz JNJLPGMTTLDMKP-OAQYLSRUSA-N 1 0 424.501 2.965 40 0 HFABRO Cc1ccc(CN(c2ccc(C(=O)NCCC[NH+](C)C)cc2)S(C)(=O)=O)cc1 ZINC000010111420 557855166 /nfs/dbraw/zinc/85/51/66/557855166.db2.gz YUYSHGKUWIFOII-UHFFFAOYSA-N 1 0 403.548 2.643 40 0 HFABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCC[NH+](C)C)c2cccc(Cl)c2)cc1 ZINC000010111541 557855185 /nfs/dbraw/zinc/85/51/85/557855185.db2.gz FYCWPAUDBAMKFU-UHFFFAOYSA-N 1 0 409.939 2.522 40 0 HFABRO Cc1ccc(N(CC(=O)NCCC[NH+]2CCCCCC2)S(C)(=O)=O)cc1Cl ZINC000010111174 557855225 /nfs/dbraw/zinc/85/52/25/557855225.db2.gz MANSJOXQVYHMBL-UHFFFAOYSA-N 1 0 415.987 2.797 40 0 HFABRO Cc1nc(C2CCN(C(=O)C[NH+]3CCCC3)CC2)nc2c1CCC(=O)N2CC(C)C ZINC000019739531 558260550 /nfs/dbraw/zinc/26/05/50/558260550.db2.gz HXGYPHZIHZZRAH-UHFFFAOYSA-N 1 0 413.566 2.522 40 0 HFABRO O=C(Cn1cccc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)c1=O)NC1CCCC1 ZINC000019751111 558270946 /nfs/dbraw/zinc/27/09/46/558270946.db2.gz DBSFSEFWYVDXMQ-UHFFFAOYSA-N 1 0 422.529 2.755 40 0 HFABRO Cc1ncc(C[NH+]2CCC(Cc3nn(C)cc3C(=O)NCc3ccccn3)CC2)s1 ZINC000019756316 558274373 /nfs/dbraw/zinc/27/43/73/558274373.db2.gz MVRMYIMVNUVHGD-UHFFFAOYSA-N 1 0 424.574 2.965 40 0 HFABRO COc1ccc(NC(=O)c2cn(C)nc2CC2CC[NH+](Cc3ccnn3C)CC2)cc1 ZINC000019757085 558274714 /nfs/dbraw/zinc/27/47/14/558274714.db2.gz MBVCUHSYXSPYIT-UHFFFAOYSA-N 1 0 422.533 2.869 40 0 HFABRO CCOC(=O)c1[nH]c(C)c(C[N@@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)c1C ZINC000012122507 558330701 /nfs/dbraw/zinc/33/07/01/558330701.db2.gz GTXGPZNRQZLUFB-UHFFFAOYSA-N 1 0 407.474 2.924 40 0 HFABRO CC1CC[NH+](CCCNC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)CC1 ZINC000020106964 558333721 /nfs/dbraw/zinc/33/37/21/558333721.db2.gz XHGFJLASWHLBJA-UHFFFAOYSA-N 1 0 421.607 2.854 40 0 HFABRO COc1ccc(-c2nccc3ccn(CC(=O)N[C@H]4CCC[N@H+](C)C4)c32)cc1OC ZINC000012135491 558333808 /nfs/dbraw/zinc/33/38/08/558333808.db2.gz APOYHLDWLXLUOH-SFHVURJKSA-N 1 0 408.502 2.931 40 0 HFABRO Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000020453296 558367544 /nfs/dbraw/zinc/36/75/44/558367544.db2.gz QQSFSUUBDFPOTQ-UHFFFAOYSA-N 1 0 421.607 2.529 40 0 HFABRO O=C(NCCC[NH+]1CCCCCC1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000020459641 558371973 /nfs/dbraw/zinc/37/19/73/558371973.db2.gz ICPWWNGOAJFLLS-UHFFFAOYSA-N 1 0 421.607 2.611 40 0 HFABRO CN(C)c1ncc(C[NH+]2CCC(O)(Cn3ccc4nc(Cl)ccc43)CC2)cn1 ZINC000012325849 558383198 /nfs/dbraw/zinc/38/31/98/558383198.db2.gz OYKMXVLGUNXMIA-UHFFFAOYSA-N 1 0 400.914 2.573 40 0 HFABRO CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCCCC1)c1ccc(Cl)c(Cl)c1 ZINC000013612854 558548959 /nfs/dbraw/zinc/54/89/59/558548959.db2.gz QKKVFEKIIJKXBE-UHFFFAOYSA-N 1 0 422.378 2.752 40 0 HFABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCC[NH+](C)C)c2cccc(Cl)c2C)cc1 ZINC000013671173 558562336 /nfs/dbraw/zinc/56/23/36/558562336.db2.gz DWBBOVVMNXLLBZ-UHFFFAOYSA-N 1 0 423.966 2.830 40 0 HFABRO CC(=O)c1ccc(S(=O)(=O)N2Cc3ccccc3OC3(CC[NH+](C)CC3)C2)cc1 ZINC000019023185 558838340 /nfs/dbraw/zinc/83/83/40/558838340.db2.gz YMFWJVJJXJZXDM-UHFFFAOYSA-N 1 0 414.527 2.937 40 0 HFABRO C[C@@H](C(=O)NC1CC[NH+](Cc2cc(-c3ccccc3F)nn2C)CC1)n1ccnc1 ZINC000019079947 558838909 /nfs/dbraw/zinc/83/89/09/558838909.db2.gz ACPZZZOQYSEPIB-INIZCTEOSA-N 1 0 410.497 2.765 40 0 HFABRO Cc1ccc(C[N@@H+](CCCN2CCOCC2)Cc2ccc3c(c2)n(C)c(=O)n3C)o1 ZINC000019216436 558850374 /nfs/dbraw/zinc/85/03/74/558850374.db2.gz PNENKOCZJAPJFT-UHFFFAOYSA-N 1 0 412.534 2.503 40 0 HFABRO Cn1nc(-c2ccc(F)cc2)cc1C[NH+]1CCC(NC(=O)CCn2cccn2)CC1 ZINC000019288907 558861787 /nfs/dbraw/zinc/86/17/87/558861787.db2.gz WLARELKQMZTRNY-UHFFFAOYSA-N 1 0 410.497 2.594 40 0 HFABRO Cn1nccc1C(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](C1CCCCC1)C2 ZINC000019289139 558862031 /nfs/dbraw/zinc/86/20/31/558862031.db2.gz QVDCLRCVAMVUEC-IBGZPJMESA-N 1 0 424.549 2.974 40 0 HFABRO O=C1CCC[C@]2(C[N@H+](Cc3ccc(OCCO)cc3)C[C@H]2c2cc(F)ccc2F)N1 ZINC000019334498 558869473 /nfs/dbraw/zinc/86/94/73/558869473.db2.gz RSDKNKRTWKARHP-NZQKXSOJSA-N 1 0 416.468 2.974 40 0 HFABRO O=C(C[N@@H+]1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CC[C@@H](c2ccccc2)C1 ZINC000019369968 558878159 /nfs/dbraw/zinc/87/81/59/558878159.db2.gz OJNQMSQXNKPZBC-RTWAWAEBSA-N 1 0 420.557 2.775 40 0 HFABRO O=C(c1ccc(C[NH+]2CCCC2)o1)N1CCC(O)(Cn2ncc3ccccc32)CC1 ZINC000019376582 558882522 /nfs/dbraw/zinc/88/25/22/558882522.db2.gz HJZSMDXZDHTMPF-UHFFFAOYSA-N 1 0 408.502 2.892 40 0 HFABRO CC(C)[N@@H+]1CCc2nc([C@@H]3CCCCN3C(=O)c3cccc(N(C)C)c3)[nH]c(=O)c2C1 ZINC000019448180 558887008 /nfs/dbraw/zinc/88/70/08/558887008.db2.gz GZXGADXPQUAABW-NRFANRHFSA-N 1 0 423.561 2.970 40 0 HFABRO CCCC(=O)N1CCc2nc([C@H]3CCC[N@H+](Cc4cccs4)C3)[nH]c(=O)c2C1 ZINC000019501599 558899643 /nfs/dbraw/zinc/89/96/43/558899643.db2.gz ONHVPKJFMWAWOF-HNNXBMFYSA-N 1 0 400.548 2.896 40 0 HFABRO Cc1noc(C)c1CC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@H+](C(C)C)CC2 ZINC000019580391 558936108 /nfs/dbraw/zinc/93/61/08/558936108.db2.gz XFTNJLOPEHSXCO-IBGZPJMESA-N 1 0 413.522 2.850 40 0 HFABRO COc1ccccc1Cc1cccc(C2CC[NH+](CC(=O)N3CCOCC3)CC2)n1 ZINC000072348738 558945489 /nfs/dbraw/zinc/94/54/89/558945489.db2.gz YDNDSDSEKWIFSC-UHFFFAOYSA-N 1 0 409.530 2.719 40 0 HFABRO COc1cc(C[N@@H+]2CCC[C@@H](c3cc(=O)[nH]c(-c4cnccn4)n3)C2)cc(OC)c1 ZINC000019595106 558945879 /nfs/dbraw/zinc/94/58/79/558945879.db2.gz QJOVQFYDHITVMJ-MRXNPFEDSA-N 1 0 407.474 2.624 40 0 HFABRO Cc1cccnc1Nc1ccc([C@H]2CCC[N@H+](CCC(=O)N3CCOCC3)C2)nc1 ZINC000072353279 558950107 /nfs/dbraw/zinc/95/01/07/558950107.db2.gz OMXKGMVUMZAVSP-IBGZPJMESA-N 1 0 409.534 2.957 40 0 HFABRO COc1cccc(-c2cccc(C[NH+]3CCC(C(N)=O)(N4CCOCC4)CC3)c2)c1 ZINC000019658576 558950481 /nfs/dbraw/zinc/95/04/81/558950481.db2.gz VBQFCJCFHODYAW-UHFFFAOYSA-N 1 0 409.530 2.514 40 0 HFABRO CC1CCC2(CC1)NC(=O)N(CC(=O)NC[C@H](c1cccc(Cl)c1)[NH+](C)C)C2=O ZINC000019664951 558955310 /nfs/dbraw/zinc/95/53/10/558955310.db2.gz SBUNPTXRDQOLFT-CXJKMVGQSA-N 1 0 420.941 2.560 40 0 HFABRO O=C(C[N@@H+]1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000072373097 558960755 /nfs/dbraw/zinc/96/07/55/558960755.db2.gz ROOULFYYWGUYBD-SBHAEUEKSA-N 1 0 412.578 2.940 40 0 HFABRO Cc1nonc1CN(C)C(=O)c1ccc([C@H]2CCC[N@H+](Cc3ccccn3)C2)nc1 ZINC000019706037 558968696 /nfs/dbraw/zinc/96/86/96/558968696.db2.gz JTBWUBLNOVWRCU-SFHVURJKSA-N 1 0 406.490 2.820 40 0 HFABRO O=C(CN1CCCC1=O)NC1CC[NH+](CC2(c3ccc(F)cc3)CCCC2)CC1 ZINC000072393518 558973072 /nfs/dbraw/zinc/97/30/72/558973072.db2.gz OOKCPDOFIUQEBF-UHFFFAOYSA-N 1 0 401.526 2.841 40 0 HFABRO CCC(=O)N[C@H]1C[N@@H+](Cc2cnn(CC)c2)C[C@@H]1c1cn(C)c2ccc(OC)cc12 ZINC000072395729 558974777 /nfs/dbraw/zinc/97/47/77/558974777.db2.gz CRFVZIVOGXETFX-RTWAWAEBSA-N 1 0 409.534 2.898 40 0 HFABRO Cc1cc(C[NH+]2CCC(c3nc4c(c(=O)[nH]3)CN(C(=O)C3CC3)CC4)CC2)cs1 ZINC000072399005 558976685 /nfs/dbraw/zinc/97/66/85/558976685.db2.gz YLRYEUHZQQIPHG-UHFFFAOYSA-N 1 0 412.559 2.814 40 0 HFABRO Cc1nc(C)c(C[N@@H+]2CCC[C@@]3(CCC(=O)N3CC(=O)N3CCCC3)CC2)s1 ZINC000585100474 559023982 /nfs/dbraw/zinc/02/39/82/559023982.db2.gz LCFIVSIKOZRHJV-OAQYLSRUSA-N 1 0 404.580 2.729 40 0 HFABRO CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc(N(C)C)cc2)CC1 ZINC000585106251 559028557 /nfs/dbraw/zinc/02/85/57/559028557.db2.gz IHWZGTVHMPTNEF-UIFIKXQLSA-N 1 0 412.578 2.594 40 0 HFABRO COc1ccc(C[NH+]2CCC3(CC2)c2ncc(-c4cnn(C)c4)n2CCN3C)cc1 ZINC000096036954 559090782 /nfs/dbraw/zinc/09/07/82/559090782.db2.gz LEBIJWGREMXUEW-UHFFFAOYSA-N 1 0 406.534 2.729 40 0 HFABRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(C(=O)c3ccncc3)CC2)c2ccccc21 ZINC000096052890 559092635 /nfs/dbraw/zinc/09/26/35/559092635.db2.gz XDCNBFQIYGPJQT-FQEVSTJZSA-N 1 0 420.557 2.811 40 0 HFABRO Cn1cc(C[NH+]2CCC3(C[C@@H](CC(=O)N4CCN(C)CC4)c4ccccc43)CC2)cn1 ZINC000096052930 559092773 /nfs/dbraw/zinc/09/27/73/559092773.db2.gz AAHWOTLXAHXFCD-OAQYLSRUSA-N 1 0 421.589 2.605 40 0 HFABRO Cc1ccc(N2CCc3sc(C(=O)N4CCN(c5cc[nH+]cc5)CC4)cc32)nn1 ZINC000096087944 559095072 /nfs/dbraw/zinc/09/50/72/559095072.db2.gz POPPMFBZUZCSMY-UHFFFAOYSA-N 1 0 406.515 2.898 40 0 HFABRO COc1ccc(S(=O)(=O)N2CC[C@]3(C2)CCC[N@H+](CC2CCOCC2)C3)cc1 ZINC000096215466 559101671 /nfs/dbraw/zinc/10/16/71/559101671.db2.gz NNUOTGMFXQLPKF-OAQYLSRUSA-N 1 0 408.564 2.598 40 0 HFABRO Cc1ccc(CC(=O)N2CCC3(C[N@@H+](CC(C)C)C[C@@]34CCN(C)C4=O)CC2)cc1 ZINC000096262732 559106659 /nfs/dbraw/zinc/10/66/59/559106659.db2.gz QHYRSJRBNPFUCQ-RUZDIDTESA-N 1 0 411.590 2.966 40 0 HFABRO COCCOc1cc(C[N@H+](C)C[C@H](O)COc2cccc(OC)c2)ccc1OC ZINC000585262570 559111124 /nfs/dbraw/zinc/11/11/24/559111124.db2.gz UBDILVZZMXMEIZ-SFHVURJKSA-N 1 0 405.491 2.601 40 0 HFABRO CC(=O)N(C)[C@@H]1CO[C@@H]2CC[N@H+](C[C@@]3(O)CC[C@H](C(C)(C)C)CC3)C[C@@H]2C[C@@]1(C)O ZINC000585283898 559120749 /nfs/dbraw/zinc/12/07/49/559120749.db2.gz PQIBNCAXUFMZMV-ILWPDHKNSA-N 1 0 424.626 2.663 40 0 HFABRO Cc1cccc(C[NH2+]C[C@@]2(O)CN(C(=O)Cc3ccc(Cl)cc3)CC[C@@H]2O)c1C ZINC000585286433 559121961 /nfs/dbraw/zinc/12/19/61/559121961.db2.gz ZPAAKOKPEKCFAA-JTHBVZDNSA-N 1 0 416.949 2.613 40 0 HFABRO Cc1ccc(OC[C@@]2(O)CCC[N@H+](CC(=O)NCCOc3ccccc3)CC2)cc1 ZINC000257233732 559283956 /nfs/dbraw/zinc/28/39/56/559283956.db2.gz GQMSSPVNFHGYAE-XMMPIXPASA-N 1 0 412.530 2.786 40 0 HFABRO CC[NH+](CC)CCCNC(=S)N(CCO)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000004132290 560599897 /nfs/dbraw/zinc/59/98/97/560599897.db2.gz KSPGABAASPULDM-UHFFFAOYSA-N 1 0 418.607 2.546 40 0 HFABRO CC(=O)Nc1ccc(NC(=O)C[NH+]2CCC(n3nnc4cc(F)ccc43)CC2)cc1 ZINC000004968177 560622406 /nfs/dbraw/zinc/62/24/06/560622406.db2.gz MZEQIBUQKQFRBY-UHFFFAOYSA-N 1 0 410.453 2.804 40 0 HFABRO COC(=O)c1c2c(sc1NC(=O)c1cc(OC)c(OC)c(OC)c1)CN(C)CC2 ZINC000004223497 560735306 /nfs/dbraw/zinc/73/53/06/560735306.db2.gz GQCPTHKEIQKBDA-UHFFFAOYSA-N 1 0 420.487 2.801 40 0 HFABRO C[NH+]1CCN(c2ccc(NC(=S)NC(=O)COc3ccc(Cl)cc3)cc2)CC1 ZINC000006287926 560740973 /nfs/dbraw/zinc/74/09/73/560740973.db2.gz JQLCQLNIDGETIS-UHFFFAOYSA-N 1 0 418.950 2.984 40 0 HFABRO COc1ccc([C@H]2NC3=NCN(CCC[NH+](C)C)CN3c3nc4ccccc4n32)cc1 ZINC000009262553 560758317 /nfs/dbraw/zinc/75/83/17/560758317.db2.gz LERWOPPXLDMQGP-NRFANRHFSA-N 1 0 419.533 2.540 40 0 HFABRO Cc1cc(C)nc(SCc2cc(=O)[nH]c(N3CC[NH+](Cc4ccccc4)CC3)n2)n1 ZINC000013639804 560826208 /nfs/dbraw/zinc/82/62/08/560826208.db2.gz IEYPQXTWPNJDMP-UHFFFAOYSA-N 1 0 422.558 2.791 40 0 HFABRO COc1ccc(Cn2nnnc2[C@H](c2ccc(C)cc2)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000020098557 560880482 /nfs/dbraw/zinc/88/04/82/560880482.db2.gz YDHNHBFVZHYVEZ-GGAORHGYSA-N 1 0 418.545 2.908 40 0 HFABRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)C1 ZINC000216445727 568465415 /nfs/dbraw/zinc/46/54/15/568465415.db2.gz UBOHBNUKLZNEIE-RTBURBONSA-N 1 0 421.607 2.710 40 0 HFABRO C[NH+]1CCC(NC(=O)CN2c3ccc(Cl)cc3-c3ccccc3S2(=O)=O)CC1 ZINC000219165637 568487536 /nfs/dbraw/zinc/48/75/36/568487536.db2.gz LKUZUBMKNUCCJB-UHFFFAOYSA-N 1 0 419.934 2.726 40 0 HFABRO COc1ccc(S(=O)(=O)N(C)c2cc(C(=O)NCCC[NH+](C)C)ccc2C)cc1 ZINC000224326161 568577917 /nfs/dbraw/zinc/57/79/17/568577917.db2.gz JCJYYNLWHANVGR-UHFFFAOYSA-N 1 0 419.547 2.510 40 0 HFABRO CN([C@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1ccccc1)S(C)(=O)=O ZINC000260888079 568742604 /nfs/dbraw/zinc/74/26/04/568742604.db2.gz GTPFLFWMQHGTQA-NRFANRHFSA-N 1 0 415.559 2.531 40 0 HFABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000260905866 568743797 /nfs/dbraw/zinc/74/37/97/568743797.db2.gz TUFXTSVONLHYHA-UXHICEINSA-N 1 0 421.607 2.858 40 0 HFABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000260905864 568743842 /nfs/dbraw/zinc/74/38/42/568743842.db2.gz TUFXTSVONLHYHA-PMACEKPBSA-N 1 0 421.607 2.858 40 0 HFABRO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCC[NH+]3CCCCCC3)C2)cc1 ZINC000260908008 568743982 /nfs/dbraw/zinc/74/39/82/568743982.db2.gz WCSMNMBKUWMPNY-FQEVSTJZSA-N 1 0 421.607 2.778 40 0 HFABRO CN(C)c1ncc2c(n1)[C@]1(CC[N@H+](Cc3ccc(O)c(C(F)(F)F)c3)C1)COC2 ZINC000248145034 568747703 /nfs/dbraw/zinc/74/77/03/568747703.db2.gz VPHCTKOJUJZYCJ-IBGZPJMESA-N 1 0 408.424 2.941 40 0 HFABRO Cn1c2ccc(C[N@@H+]3C[C@@H](c4ccccc4F)[C@]4(C3)CCCC(=O)N4)cc2n(C)c1=O ZINC000257221922 568782399 /nfs/dbraw/zinc/78/23/99/568782399.db2.gz DRDXZVPSUUGQAI-MHECFPHRSA-N 1 0 422.504 2.654 40 0 HFABRO CN1CC[NH+]([C@H]2CC[C@](CNC(=O)C(C)(C)C)(c3ccccc3)CC[C@@H]2O)CC1 ZINC000257227794 568784336 /nfs/dbraw/zinc/78/43/36/568784336.db2.gz FQXPPDUUUYHJLQ-HFMPRLQTSA-N 1 0 401.595 2.638 40 0 HFABRO Cc1cc(Nc2cc(CC3CCN(C(=O)[C@@H]4CCC[NH2+]4)CC3)nc(C3CC3)n2)n[nH]1 ZINC000257238099 568787036 /nfs/dbraw/zinc/78/70/36/568787036.db2.gz HJPCEMIGBDCTDL-SFHVURJKSA-N 1 0 409.538 2.662 40 0 HFABRO Cc1cc(C(=O)N2CCN(C)[C@@H](c3ccccc3)C2)nc(C2(C)CC[NH+](C)CC2)n1 ZINC000257246981 568789505 /nfs/dbraw/zinc/78/95/05/568789505.db2.gz IWUUSKOMUAYARL-OAQYLSRUSA-N 1 0 407.562 2.897 40 0 HFABRO O=C(CC1CC1)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCC(O)CC2)CC1 ZINC000257277567 568797692 /nfs/dbraw/zinc/79/76/92/568797692.db2.gz NYLZATGVKNIMHN-FIXSFTCYSA-N 1 0 400.563 2.601 40 0 HFABRO CCCN1CCN(C(=O)CC[NH3+])C[C@H](Cc2ccccc2-c2ccccc2OC)C1=O ZINC000257285927 568800145 /nfs/dbraw/zinc/80/01/45/568800145.db2.gz PJLLMVRTFAIYGD-FQEVSTJZSA-N 1 0 423.557 2.951 40 0 HFABRO Cc1cc(Nc2ncccn2)cc(C2CCN(C(=O)[C@H]3CC(=O)OC3(C)C)CC2)[nH+]1 ZINC000257288880 568800966 /nfs/dbraw/zinc/80/09/66/568800966.db2.gz PWBFFRMLLAKPJS-QGZVFWFLSA-N 1 0 409.490 2.971 40 0 HFABRO Cc1cc(Nc2ncccn2)cc(C2CCN(C(=O)[C@@H]3CC(=O)OC3(C)C)CC2)[nH+]1 ZINC000257288879 568801120 /nfs/dbraw/zinc/80/11/20/568801120.db2.gz PWBFFRMLLAKPJS-KRWDZBQOSA-N 1 0 409.490 2.971 40 0 HFABRO CC1CC[NH+](CC(=O)N2CC[C@H](Oc3cccc(Cl)c3)[C@@H](CC(N)=O)C2)CC1 ZINC000257298047 568804029 /nfs/dbraw/zinc/80/40/29/568804029.db2.gz RJWXKBSUYLDESD-LPHOPBHVSA-N 1 0 407.942 2.543 40 0 HFABRO CCc1[nH]nc(C(=O)N2CCC[C@@](O)(C[N@H+](C)Cc3ccc(OC)cc3)CC2)c1C ZINC000257299701 568804495 /nfs/dbraw/zinc/80/44/95/568804495.db2.gz RRCRPHNRAAWOCR-QHCPKHFHSA-N 1 0 414.550 2.778 40 0 HFABRO COc1ccc(C[N@H+](C)C[C@@]2(O)CCCN(C(=O)c3sc(N)nc3C)CC2)cc1 ZINC000257309670 568807299 /nfs/dbraw/zinc/80/72/99/568807299.db2.gz UBWZMVYNKNDZBT-OAQYLSRUSA-N 1 0 418.563 2.532 40 0 HFABRO CC(C)n1cc(C[N@@H+]2C[C@@H]3Cn4c(nnc4C(=O)Nc4cccc(F)c4)C[C@@H]3C2)cn1 ZINC000306123200 568886227 /nfs/dbraw/zinc/88/62/27/568886227.db2.gz AHEYWKHEKRHMJC-IAGOWNOFSA-N 1 0 423.496 2.751 40 0 HFABRO COc1ccc(NC(=O)c2nnc3n2C[C@@H]2C[N@@H+](Cc4cccc(F)c4)C[C@@H]2C3)cc1 ZINC000306124185 568887215 /nfs/dbraw/zinc/88/72/15/568887215.db2.gz BIQKRLOSIWIFIY-IRXDYDNUSA-N 1 0 421.476 2.982 40 0 HFABRO COc1ccc(CN2CCO[C@@]3(C[N@@H+](C4CCC4)C[C@@H]3c3cccnc3)C2=O)cc1 ZINC000306125313 568888138 /nfs/dbraw/zinc/88/81/38/568888138.db2.gz CMHACGRMSYKICE-ISKFKSNPSA-N 1 0 407.514 2.840 40 0 HFABRO COc1ccc(C[N@@H+]2CCC[C@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)cc1 ZINC000306128679 568891444 /nfs/dbraw/zinc/89/14/44/568891444.db2.gz HHZWHGIJSYGBCF-IBGZPJMESA-N 1 0 407.518 2.954 40 0 HFABRO C[NH+]1CCN(C[C@H]2CC3(CCN(C(=O)C45CC6CC(CC(C6)C4)C5)CC3)O2)CC1 ZINC000306131231 568893276 /nfs/dbraw/zinc/89/32/76/568893276.db2.gz JYYJIPITFFSAES-LOIQHOORSA-N 1 0 401.595 2.600 40 0 HFABRO Cc1nc(CN2C[C@]3(CC[N@H+](CC4CC4)C3)Oc3ccccc3S2(=O)=O)cs1 ZINC000306131945 568894124 /nfs/dbraw/zinc/89/41/24/568894124.db2.gz KTQZTVHPRXEAQF-HXUWFJFHSA-N 1 0 419.572 2.889 40 0 HFABRO CN(C)C(=O)NC[C@H]1CC2(CC[NH+](Cc3ccc(O)c(C(F)(F)F)c3)CC2)O1 ZINC000306134744 568896693 /nfs/dbraw/zinc/89/66/93/568896693.db2.gz NXBJBBHEWVRRSK-CQSZACIVSA-N 1 0 401.429 2.806 40 0 HFABRO CS(=O)(=O)N[C@H]1CCN(Cc2cccs2)C[C@]12CC[N@H+](Cc1ccccc1)C2 ZINC000306133892 568895861 /nfs/dbraw/zinc/89/58/61/568895861.db2.gz MYPBWZGBZMZKSP-SFTDATJTSA-N 1 0 419.616 2.764 40 0 HFABRO Cn1nccc1[C@@H]1C[N@H+](Cc2ccc3c(c2)OCO3)C[C@]12CCCN(CC1CC1)C2=O ZINC000306140084 568901924 /nfs/dbraw/zinc/90/19/24/568901924.db2.gz UJMSQXPQUAXJAD-YADARESESA-N 1 0 422.529 2.767 40 0 HFABRO O=C1N(Cc2ccsc2)CCO[C@]12C[N@H+](Cc1cccnc1)C[C@H]2c1cccnc1 ZINC000306144527 568905898 /nfs/dbraw/zinc/90/58/98/568905898.db2.gz ZHWCALRBPJPEOD-GMAHTHKFSA-N 1 0 420.538 2.935 40 0 HFABRO O=C1N(Cc2cccnc2)CCO[C@@]12C[N@H+](Cc1ccsc1)C[C@H]2c1cccnc1 ZINC000306145162 568906576 /nfs/dbraw/zinc/90/65/76/568906576.db2.gz ZZUNTUDDSAEDDY-JTHBVZDNSA-N 1 0 420.538 2.935 40 0 HFABRO CCOC(=O)[C@@H]1CC(=O)N(c2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)C1 ZINC000072228534 568919807 /nfs/dbraw/zinc/91/98/07/568919807.db2.gz YVKRDWLCDHDXAX-HXUWFJFHSA-N 1 0 407.514 2.925 40 0 HFABRO CC(C)(C)OC(=O)N[C@@]1(C[NH3+])[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218660283 568942805 /nfs/dbraw/zinc/94/28/05/568942805.db2.gz IMWMOEVGGCHCBX-WFXMLNOXSA-N 1 0 420.506 2.988 40 0 HFABRO COc1ccc(Nc2cc(-c3ccncc3)nc(NCCC[NH+](C)C)n2)cc1OC ZINC000328971592 568970493 /nfs/dbraw/zinc/97/04/93/568970493.db2.gz DQDGUZNJGBRZPW-UHFFFAOYSA-N 1 0 408.506 2.507 40 0 HFABRO C[NH+](C)CCCNc1nc(Nc2c(F)cc(F)cc2F)cc(-c2ccncc2)n1 ZINC000328979200 568970925 /nfs/dbraw/zinc/97/09/25/568970925.db2.gz GEOKOLRDQPFJRG-UHFFFAOYSA-N 1 0 402.424 2.907 40 0 HFABRO C[NH+](C)CCNc1nc(NCc2cccc(Br)c2)cc(C(F)(F)F)n1 ZINC000329016463 568972832 /nfs/dbraw/zinc/97/28/32/568972832.db2.gz NGXQMROHFZJPHE-UHFFFAOYSA-N 1 0 418.261 2.687 40 0 HFABRO C[NH+](C)CCNc1nc(Nc2cccc(OC(F)(F)F)c2)cc(-c2ccncc2)n1 ZINC000329027014 568973492 /nfs/dbraw/zinc/97/34/92/568973492.db2.gz PQDRUWLVLPDVLX-UHFFFAOYSA-N 1 0 418.423 2.998 40 0 HFABRO Fc1cccc([C@H](c2nnnn2CCc2ccccc2)N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000001336135 569023787 /nfs/dbraw/zinc/02/37/87/569023787.db2.gz ZCBOEVSHBCJLLB-FCHUYYIVSA-N 1 0 406.509 2.924 40 0 HFABRO CN(C)c1cn[nH+]c(N2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)c1 ZINC000224309776 569057009 /nfs/dbraw/zinc/05/70/09/569057009.db2.gz POLWHLIDZVMIRS-UHFFFAOYSA-N 1 0 410.305 2.577 40 0 HFABRO Cc1ccc(NC(=O)N2CCN(c3cn[nH+]c(N4CCOCC4)c3)CC2)c(Cl)c1 ZINC000224332265 569058534 /nfs/dbraw/zinc/05/85/34/569058534.db2.gz JMXSYIAIQFBFRS-UHFFFAOYSA-N 1 0 416.913 2.629 40 0 HFABRO CN(c1ccc(C(=O)NCCC[NH+](C)C)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000010111446 569342864 /nfs/dbraw/zinc/34/28/64/569342864.db2.gz FMJZNOAKQVBAHX-UHFFFAOYSA-N 1 0 409.939 2.847 40 0 HFABRO COc1ccc2c(c1)CN(C(C)=O)C[C@H]([C@@H]1CCC[N@H+](Cc3cn(C)nc3C)C1)O2 ZINC000019583786 569345831 /nfs/dbraw/zinc/34/58/31/569345831.db2.gz RFUNNJPYRIUQHL-WZONZLPQSA-N 1 0 412.534 2.759 40 0 HFABRO C[NH2+]Cc1cc(N(C)C)nc([C@@H]2CCCN2CC(=O)N(C(C)C)C2CCCCC2)n1 ZINC000019760882 569429590 /nfs/dbraw/zinc/42/95/90/569429590.db2.gz ICAFQJRKZLDMNZ-FQEVSTJZSA-N 1 0 416.614 2.969 40 0 HFABRO CCN(C(=O)CN(C)Cc1cc(N(C)C)nc([C@@H]2CCC[NH2+]2)n1)c1cccc(C)c1 ZINC000019760313 569429670 /nfs/dbraw/zinc/42/96/70/569429670.db2.gz MYUAIWHXNJTZTM-FQEVSTJZSA-N 1 0 410.566 2.760 40 0 HFABRO CCCS(=O)(=O)NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2c1cc(-c2ccc(F)cc2)nn1C ZINC000008635442 291218953 /nfs/dbraw/zinc/21/89/53/291218953.db2.gz NPMXBFJLDRLHJE-UHOSZYNNSA-N 1 0 420.554 2.733 40 0 biogenic,in-vitro HFABRO CC1(C)Oc2ccc(C(=O)c3cccs3)cc2N(CC2(O)CC[NH2+]CC2)C1=O ZINC000019460260 535004430 /nfs/dbraw/zinc/00/44/30/535004430.db2.gz ISFIMZROFZVKIU-UHFFFAOYSA-N 1 0 400.500 2.598 40 0 HFABRO COc1ccc2c(c1)C[C@H](C[NH+]1CCC3(CC1)C(=O)N(C)CN3c1ccccc1)O2 ZINC000001664546 557279111 /nfs/dbraw/zinc/27/91/11/557279111.db2.gz ZGSMDYBKPSCIDB-OAQYLSRUSA-N 1 0 407.514 2.769 40 0 HFABRO C[NH+](C)CCn1c(N)c(S(=O)(=O)c2ccc(F)cc2)c2nc3ccccc3nc21 ZINC000003290089 557468368 /nfs/dbraw/zinc/46/83/68/557468368.db2.gz SFQFKPPPYJVQEX-UHFFFAOYSA-N 1 0 413.478 2.700 40 0 HFABRO COCCCNC(=S)N(CCC[NH+](C)C)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000004162005 557522207 /nfs/dbraw/zinc/52/22/07/557522207.db2.gz GBXXDWUKIHEMNR-UHFFFAOYSA-N 1 0 418.607 2.810 40 0 HFABRO COc1cc(C(=O)N[C@H](COc2ccccc2)C[NH+]2CCCC2)cc(OC)c1OC ZINC000004213295 557529203 /nfs/dbraw/zinc/52/92/03/557529203.db2.gz QFSBWEZVTZCUPC-SFHVURJKSA-N 1 0 414.502 2.986 40 0 in-man HFABRO COc1ccc([C@]2(C[NH+](C)C)COc3cc(OC)c(OC)cc3C2=O)cc1OC ZINC000005886334 557679228 /nfs/dbraw/zinc/67/92/28/557679228.db2.gz KPFMEBHRNITQLZ-QFIPXVFZSA-N 1 0 401.459 2.796 40 0 HFABRO CC[NH+](CC)CCCNC(=S)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000035314132 557689860 /nfs/dbraw/zinc/68/98/60/557689860.db2.gz JOAJSRHIJLCRLT-UHFFFAOYSA-N 1 0 419.591 2.959 40 0 HFABRO COc1ccc(C[NH2+]CCCSc2nnnn2-c2ccccc2)c(OC)c1OC ZINC000007541394 557746293 /nfs/dbraw/zinc/74/62/93/557746293.db2.gz FVHRAQPTRYDORW-UHFFFAOYSA-N 1 0 415.519 2.960 40 0 HFABRO O=C(NC1CCCCC1)[C@H]1C[N@H+]2CC[C@@H]1C[C@@H]2Cn1cc(C2(O)CCCCC2)nn1 ZINC000008298916 557780515 /nfs/dbraw/zinc/78/05/15/557780515.db2.gz SHIYCBJBIOPVFD-RLLQIKCJSA-N 1 0 415.582 2.589 40 0 biogenic,in-vitro HFABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCCC2)c2ccccc2)cc1 ZINC000010450048 557862637 /nfs/dbraw/zinc/86/26/37/557862637.db2.gz DMUZVSNSVUEIPD-UHFFFAOYSA-N 1 0 415.559 2.792 40 0 HFABRO Cc1cc(Cl)ccc1N(CC(=O)NCCC[NH+]1CCC(C)CC1)S(C)(=O)=O ZINC000010540584 558258755 /nfs/dbraw/zinc/25/87/55/558258755.db2.gz MUKONRMYFRSRGM-UHFFFAOYSA-N 1 0 415.987 2.653 40 0 HFABRO COCCn1c2nc(C3CC[NH+](CC4CCCCC4)CC3)ccc2c(=O)n(C)c1=O ZINC000019743067 558263615 /nfs/dbraw/zinc/26/36/15/558263615.db2.gz SYVNVHYNAACOTK-UHFFFAOYSA-N 1 0 414.550 2.501 40 0 HFABRO O=C(Cn1cccc(C(=O)NC2CCCC2)c1=O)Nc1ccccc1C[NH+]1CCCC1 ZINC000019746352 558266356 /nfs/dbraw/zinc/26/63/56/558266356.db2.gz JWQAXRBLNAKESF-UHFFFAOYSA-N 1 0 422.529 2.755 40 0 HFABRO CCN(CC)C(=O)c1cnc([C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)nc1C ZINC000019753690 558273026 /nfs/dbraw/zinc/27/30/26/558273026.db2.gz ZKHVWVWDMFKYCL-IBGZPJMESA-N 1 0 401.555 2.662 40 0 HFABRO CC(C)(C)c1n[nH]cc1C[N@@H+]1CC[C@@H](c2cc(C(=O)NCCO)c3ccccc3n2)C1 ZINC000019761928 558276829 /nfs/dbraw/zinc/27/68/29/558276829.db2.gz VFBRTXYPWAMCST-MRXNPFEDSA-N 1 0 421.545 2.967 40 0 HFABRO Cc1cc2c(cc3c(=O)n(CC(=O)NCCC[N@H+]4CCCC[C@@H]4C)nc(C)n23)s1 ZINC000012115380 558327754 /nfs/dbraw/zinc/32/77/54/558327754.db2.gz CNXGPZCOBOKNQS-AWEZNQCLSA-N 1 0 415.563 2.708 40 0 HFABRO CC(C)(C)c1nn(-c2ccc(F)cc2)c2[nH]c(=O)c(C[NH2+]C[C@H]3COCCO3)cc12 ZINC000012186543 558345684 /nfs/dbraw/zinc/34/56/84/558345684.db2.gz PIXMQUISADFTJG-KRWDZBQOSA-N 1 0 414.481 2.655 40 0 HFABRO COc1cc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccccc2F)C3)ccc1OCC(N)=O ZINC000012293135 558366222 /nfs/dbraw/zinc/36/62/22/558366222.db2.gz LRBUGTIHIIUDJD-NWMVZANLSA-N 1 0 414.477 2.713 40 0 HFABRO O=c1ccc(C2CC2)nn1CC1(O)C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(F)ccc1F ZINC000012366346 558388257 /nfs/dbraw/zinc/38/82/57/558388257.db2.gz JCOGIWJCCOCRJC-VSOVRNOCSA-N 1 0 401.457 2.957 40 0 HFABRO C[NH+](C)CCCNC(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000013675761 558564482 /nfs/dbraw/zinc/56/44/82/558564482.db2.gz LWNZMUIYCUFTIG-UHFFFAOYSA-N 1 0 423.966 2.988 40 0 HFABRO Cc1ccc(C[NH+]2CCC(O)(CN3c4ccccc4C(=O)N4CCC[C@H]4C3=O)CC2)o1 ZINC000019216554 558850418 /nfs/dbraw/zinc/85/04/18/558850418.db2.gz AZVZRKWZPISUAR-NRFANRHFSA-N 1 0 423.513 2.566 40 0 HFABRO Cc1cccc(CCNC(=O)c2ccc3c(c2)nc2n(c3=O)CC[N@@H+](C(C)C)CC2)c1 ZINC000019234893 558854191 /nfs/dbraw/zinc/85/41/91/558854191.db2.gz UVGISQDTRNXINI-UHFFFAOYSA-N 1 0 418.541 2.944 40 0 HFABRO COc1cccc(C(=O)NC2CC[NH+](Cc3cc(-c4cccnc4)nn3C)CC2)c1 ZINC000019288996 558861944 /nfs/dbraw/zinc/86/19/44/558861944.db2.gz DREHLJVJFPMKJM-UHFFFAOYSA-N 1 0 405.502 2.885 40 0 HFABRO O=C(NCCC[NH+]1CCCCCC1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000053271635 558863204 /nfs/dbraw/zinc/86/32/04/558863204.db2.gz VMPSYGIPCKWBQD-KRWDZBQOSA-N 1 0 413.609 2.531 40 0 HFABRO O=C(C[NH+]1CCCCC1)NCc1ccc(-c2ccnc3nc(C(F)(F)F)nn32)cc1 ZINC000019334578 558869463 /nfs/dbraw/zinc/86/94/63/558869463.db2.gz YTDUTKVWVPRPMG-UHFFFAOYSA-N 1 0 418.423 2.912 40 0 HFABRO Fc1cccc([C@H](c2nnnn2CCc2ccccc2)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000019371431 558879240 /nfs/dbraw/zinc/87/92/40/558879240.db2.gz ZCBOEVSHBCJLLB-FGZHOGPDSA-N 1 0 406.509 2.924 40 0 HFABRO COc1ccc(C[N@@H+]2C[C@H](C(=O)NC(C)C)[C@@H](c3ccnc(N4CCCC4)n3)C2)cc1 ZINC000019450075 558888644 /nfs/dbraw/zinc/88/86/44/558888644.db2.gz WQXAZVLGIRDMNW-SFTDATJTSA-N 1 0 423.561 2.826 40 0 HFABRO C[C@H](CCC(=O)N1CCN([C@@H](c2nccn2C)c2ccccc2)CC1)[NH+]1CCCC1 ZINC000019455578 558891815 /nfs/dbraw/zinc/89/18/15/558891815.db2.gz UYOHZCNGGLLKKV-NFBKMPQASA-N 1 0 409.578 2.918 40 0 HFABRO CCOc1ccc(C[N@@H+]2CCc3nc(-c4cccnc4)[nH]c(=O)c3CC2)cc1OC ZINC000019533914 558913481 /nfs/dbraw/zinc/91/34/81/558913481.db2.gz UPPIEDQNIJHRLG-UHFFFAOYSA-N 1 0 406.486 2.840 40 0 HFABRO COc1cc(C[N@@H+]2CCC[C@H](Cn3nnc(-c4cccnc4)n3)C2)cc(OC)c1OC ZINC000019549799 558914625 /nfs/dbraw/zinc/91/46/25/558914625.db2.gz VTGZGNKDAVNNGY-INIZCTEOSA-N 1 0 424.505 2.673 40 0 HFABRO COc1ccc(C[N@@H+]2C[C@@H](c3c(F)cccc3F)[C@]3(C2)COCCC(=O)N3)cc1 ZINC000019555692 558918423 /nfs/dbraw/zinc/91/84/23/558918423.db2.gz JHLXWEBJDOEYNL-JTSKRJEESA-N 1 0 402.441 2.848 40 0 HFABRO COc1cccc(C[N@@H+]2CCc3nc(N4CCCC4)[nH]c(=O)c3CC2)c1OC(F)F ZINC000019567244 558926809 /nfs/dbraw/zinc/92/68/09/558926809.db2.gz VJUVYEYUNGEDBT-UHFFFAOYSA-N 1 0 420.460 2.581 40 0 HFABRO COc1nc(C)c(CC(=O)NC2CC[NH+](CC3(c4ccccc4)CC3)CC2)c(OC)n1 ZINC000019579492 558935095 /nfs/dbraw/zinc/93/50/95/558935095.db2.gz UOOVUQMHCYUTMG-UHFFFAOYSA-N 1 0 424.545 2.657 40 0 HFABRO O=C(Cn1cc(C(=O)NC2CCCC2)ccc1=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000072344606 558941058 /nfs/dbraw/zinc/94/10/58/558941058.db2.gz XKKVPUUZBVTLPK-UHFFFAOYSA-N 1 0 422.529 2.755 40 0 HFABRO COCCOc1ccc(C[N@@H+]2CC[C@@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)cc1 ZINC000019593680 558944582 /nfs/dbraw/zinc/94/45/82/558944582.db2.gz RGVXTXKTXFHLOO-LJQANCHMSA-N 1 0 406.486 2.847 40 0 HFABRO COCc1ccc(OC)c(C[N@@H+]2CC[C@@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)c1 ZINC000019594332 558945157 /nfs/dbraw/zinc/94/51/57/558945157.db2.gz BWEDLRZEKVFBTM-GOSISDBHSA-N 1 0 406.486 2.976 40 0 HFABRO COC[C@@H]1CN(C(=O)c2ccc(NC(C)=O)cc2)CC[N@H+](CCc2ccccc2)C1 ZINC000072354511 558951828 /nfs/dbraw/zinc/95/18/28/558951828.db2.gz SMYJZHHLGHCGQF-NRFANRHFSA-N 1 0 409.530 2.908 40 0 HFABRO CC(=O)NCc1cnc([C@@H]2CCC[N@@H+]2C2CCN(C(C)=O)CC2)cc1C(F)(F)F ZINC000072356211 558953127 /nfs/dbraw/zinc/95/31/27/558953127.db2.gz JAFVYJYPOHOMBT-IBGZPJMESA-N 1 0 412.456 2.884 40 0 HFABRO Cc1cc(C)nc(Nc2cc(C)[nH+]c([C@H]3CCCN(S(=O)(=O)N(C)C)C3)c2)n1 ZINC000072374900 558962947 /nfs/dbraw/zinc/96/29/47/558962947.db2.gz RORQNBFTFRQUQD-INIZCTEOSA-N 1 0 404.540 2.526 40 0 HFABRO O=C(c1ccccc1)N1CCC2(CC1)NC(=O)N([C@H]1CCC[N@@H+](C3CCCC3)C1)C2=O ZINC000019699649 558966744 /nfs/dbraw/zinc/96/67/44/558966744.db2.gz PEZGXQFIRNLFQX-FQEVSTJZSA-N 1 0 424.545 2.620 40 0 HFABRO Cc1nc([C@@H]2CCCCN2C(=O)C[NH+](C)C)nc2c1CCCN2CCc1ccccn1 ZINC000019706849 558969048 /nfs/dbraw/zinc/96/90/48/558969048.db2.gz FCYYKCLVZCGLEY-NRFANRHFSA-N 1 0 422.577 2.791 40 0 HFABRO CNc1nc([C@H]2CCC[N@H+](C)C2)nc2c1CN(C(=O)CCc1ccccc1OC)CC2 ZINC000019710328 558972183 /nfs/dbraw/zinc/97/21/83/558972183.db2.gz FWLDAFDVXJYBKS-SFHVURJKSA-N 1 0 423.561 2.854 40 0 HFABRO CNc1nc(C2CC[NH+](C)CC2)nc2c1CCN(C(=O)Cc1c[nH]c3ccccc13)C2 ZINC000019710676 558972859 /nfs/dbraw/zinc/97/28/59/558972859.db2.gz OVHRBTRHGPQMNZ-UHFFFAOYSA-N 1 0 418.545 2.936 40 0 HFABRO CC(=O)N1CCc2nc([C@H]3CCC[N@@H+](C)C3)nc(NCCc3ncc(C)s3)c2C1 ZINC000019711324 558973350 /nfs/dbraw/zinc/97/33/50/558973350.db2.gz SHENDDVUCVVADH-INIZCTEOSA-N 1 0 414.579 2.610 40 0 HFABRO C[N@@H+](Cc1cccnc1)C[C@@H]1CC2(CO1)CCN(S(=O)(=O)c1ccccc1)CC2 ZINC000585103117 559026388 /nfs/dbraw/zinc/02/63/88/559026388.db2.gz DJOCOVQCIHIPSQ-FQEVSTJZSA-N 1 0 415.559 2.773 40 0 HFABRO Cc1ccc(O)c(C(=O)N2CCC3(CO[C@@H](C[N@@H+](C)[C@H]4CC[C@H](O)CC4)C3)CC2)c1 ZINC000585104870 559027446 /nfs/dbraw/zinc/02/74/46/559027446.db2.gz UVYHPQAAEIKNSN-VAMGGRTRSA-N 1 0 416.562 2.947 40 0 HFABRO O=C(c1ccc(Cl)c(F)c1)N1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](CC3CC3)C[C@@H]12 ZINC000585106082 559028455 /nfs/dbraw/zinc/02/84/55/559028455.db2.gz KCQPOCKHZOOMIG-CVEARBPZSA-N 1 0 405.901 2.542 40 0 HFABRO CCCC[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)Cc2ccccc2Cl)CC1 ZINC000585106344 559028812 /nfs/dbraw/zinc/02/88/12/559028812.db2.gz YGPKYDFJFGDSAU-MSOLQXFVSA-N 1 0 403.954 2.722 40 0 HFABRO O=C(NCc1ccc(F)cc1)[C@H]1C[N@@H+]2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccccn2)nn1 ZINC000008253988 559033215 /nfs/dbraw/zinc/03/32/15/559033215.db2.gz VUFFUXCBNWCDSU-RLLQIKCJSA-N 1 0 420.492 2.506 40 0 biogenic,in-vitro HFABRO CCN1CC[C@]2(C[N@H+](Cc3cccnc3)CC23CCN(C(=O)c2ccco2)CC3)C1=O ZINC000096036476 559090235 /nfs/dbraw/zinc/09/02/35/559090235.db2.gz GVSKOPJUMOZWPO-DEOSSOPVSA-N 1 0 422.529 2.651 40 0 HFABRO CCN(CC)C(=O)[C@@H]1Cn2ccnc2C2(CC[NH+](Cc3ccc(F)cc3)CC2)O1 ZINC000096036871 559090682 /nfs/dbraw/zinc/09/06/82/559090682.db2.gz RJJBUGYOINNFHW-IBGZPJMESA-N 1 0 400.498 2.781 40 0 HFABRO COc1ccc(C[NH+]2CCC3(CC2)COc2ccccc2S(=O)(=O)N(C)C3)cc1 ZINC000096037133 559090959 /nfs/dbraw/zinc/09/09/59/559090959.db2.gz MGMNCWNQGWJMOQ-UHFFFAOYSA-N 1 0 416.543 2.991 40 0 HFABRO CC[N@@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CCN(C(=O)c1cc(C)on1)CC3 ZINC000096143898 559096220 /nfs/dbraw/zinc/09/62/20/559096220.db2.gz OXDYMPJHSDXVTK-WMZHIEFXSA-N 1 0 414.550 2.560 40 0 HFABRO COc1cccc(NC(=O)c2ccc3nnc([C@H]4C[N@H+](CC5CC5)CCN4C)n3c2)c1 ZINC000096156620 559100596 /nfs/dbraw/zinc/10/05/96/559100596.db2.gz GUQOQIWQBNKPEC-HXUWFJFHSA-N 1 0 420.517 2.689 40 0 HFABRO CCN1CC[C@]2(C[N@H+](CC(C)C)CC23CCN(C(=O)c2c(C)noc2C)CC3)C1=O ZINC000096262772 559106741 /nfs/dbraw/zinc/10/67/41/559106741.db2.gz FOBVOTOYNHHHFY-QHCPKHFHSA-N 1 0 416.566 2.724 40 0 HFABRO COc1ccc(C(=O)N[C@@H]2C[C@@H](Oc3ccccc3)[C@H](O)[C@H]2[NH+]2CCCCC2)cc1 ZINC000585262398 559110851 /nfs/dbraw/zinc/11/08/51/559110851.db2.gz MYAOLAZYAACDHF-LUKWVAJMSA-N 1 0 410.514 2.860 40 0 HFABRO O=C(N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[NH+]1CCCC1)c1ccc(F)cc1 ZINC000585262400 559110942 /nfs/dbraw/zinc/11/09/42/559110942.db2.gz NCOXZTFCGGLPMZ-CGXNFDGLSA-N 1 0 402.441 2.740 40 0 HFABRO Cc1cc(C)n(CCOc2ccc(C[NH2+]C[C@]3(O)CCN(c4ccccn4)C3)cc2)n1 ZINC000585271505 559115785 /nfs/dbraw/zinc/11/57/85/559115785.db2.gz ZKRGOWGABXIBPB-XMMPIXPASA-N 1 0 421.545 2.705 40 0 HFABRO COc1cccc(N2CCC(O)(C[N@@H+]3CC[C@@H]4[C@H](C3)CCCCN4C(C)=O)CC2)c1 ZINC000585283831 559120831 /nfs/dbraw/zinc/12/08/31/559120831.db2.gz PAPURDJVAKBPAZ-NZQKXSOJSA-N 1 0 415.578 2.749 40 0 HFABRO O[C@H]1CC[N@H+](CC2(O)CCCCCC2)C[C@]1(O)COc1ccc(Cl)c(F)c1 ZINC000585285903 559121692 /nfs/dbraw/zinc/12/16/92/559121692.db2.gz DRYNCPKZVQYOCL-ICSRJNTNSA-N 1 0 401.906 2.741 40 0 HFABRO Cc1cnc(Nc2cc(C[C@@H]3CCCN(C(=O)/C=C/C[NH+](C)C)C3)ncn2)s1 ZINC000585292717 559124452 /nfs/dbraw/zinc/12/44/52/559124452.db2.gz RSMAPURKROAHRY-YERXGYGTSA-N 1 0 400.552 2.884 40 0 HFABRO Cc1cc(C)nc(Nc2cc(C[C@H]3CCCN(C(=O)/C=C/C[NH+](C)C)C3)ncn2)n1 ZINC000585292920 559125456 /nfs/dbraw/zinc/12/54/56/559125456.db2.gz UJASCHCWGRBSDI-JHTBKMLMSA-N 1 0 409.538 2.526 40 0 HFABRO Cc1cc(C)nc(Nc2cc(C[C@@H]3CCCN(C(=O)/C=C/C[NH+](C)C)C3)ncn2)n1 ZINC000585292916 559125496 /nfs/dbraw/zinc/12/54/96/559125496.db2.gz UJASCHCWGRBSDI-IWHGQQBYSA-N 1 0 409.538 2.526 40 0 HFABRO CC(C)C(=O)Nc1ccc2c(c1)nc(C[N@H+]1C[C@H]3C[C@H](Cn4c(=O)cccc43)C1)n2C ZINC000138163892 559281995 /nfs/dbraw/zinc/28/19/95/559281995.db2.gz FDEULQPEKQFAPN-DLBZAZTESA-N 1 0 419.529 2.949 40 0 HFABRO Cc1ncc(C(=O)NC[C@@]2(c3ccccc3)CC[C@H](O)[C@@H]([NH+]3CCCC3)CC2)cn1 ZINC000257313620 559282945 /nfs/dbraw/zinc/28/29/45/559282945.db2.gz UTJNQRDQVXQNJJ-FIXSFTCYSA-N 1 0 408.546 2.852 40 0 HFABRO Cc1cncc(C(=O)NC[C@]2(c3ccccc3)CC[C@H](O)[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000257335410 559283322 /nfs/dbraw/zinc/28/33/22/559283322.db2.gz YKAMMJNFJXKQKO-SONWIMMPSA-N 1 0 423.557 2.694 40 0 HFABRO CCCN1CCN(C(=O)C[NH2+]C)C[C@@H](Cc2ccccc2-c2ccccc2OC)C1=O ZINC000257300152 559285849 /nfs/dbraw/zinc/28/58/49/559285849.db2.gz RTDGNKNFGIWXHP-HXUWFJFHSA-N 1 0 423.557 2.821 40 0 HFABRO COc1ccc([C@@H]2[C@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2ccccc2)cc1 ZINC000409056419 560670290 /nfs/dbraw/zinc/67/02/90/560670290.db2.gz RGNGCUPMEQDHQK-DCFWFYTKSA-O 1 0 418.448 2.850 40 0 HFABRO O=C(N[C@H]1C(=O)N/[N+](=C\c2ccc(F)cc2)[C@H]1c1ccccc1)c1ccc(F)cc1 ZINC000409061967 560671809 /nfs/dbraw/zinc/67/18/09/560671809.db2.gz KSMZIZMHSIQRQS-CIPQKONYSA-O 1 0 406.412 2.981 40 0 HFABRO Cc1cc(Cl)ccc1N(CC(=O)NCC[NH+](C)C)S(=O)(=O)c1ccccc1 ZINC000010111531 560763807 /nfs/dbraw/zinc/76/38/07/560763807.db2.gz LUPSBHOWHCDVKW-UHFFFAOYSA-N 1 0 409.939 2.522 40 0 HFABRO O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)NCCC[NH+]1CCCC1 ZINC000010450137 560769788 /nfs/dbraw/zinc/76/97/88/560769788.db2.gz MTSAFUYSTTTZIW-UHFFFAOYSA-N 1 0 419.522 2.623 40 0 HFABRO Cc1ccc(C)c(N([C@@H](C)C(=O)NCCC[NH+]2CCC(C)CC2)S(C)(=O)=O)c1 ZINC000010540914 560769998 /nfs/dbraw/zinc/76/99/98/560769998.db2.gz VWQXVJAOHWYHRS-IBGZPJMESA-N 1 0 409.596 2.696 40 0 HFABRO CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](CCSC)[NH2+][C@]21C(=O)Nc2c1cccc2Cl ZINC000013575933 560814560 /nfs/dbraw/zinc/81/45/60/560814560.db2.gz XMNCZZGJRFMWAK-ASXAWOISSA-N 1 0 421.950 2.612 40 0 HFABRO CCC[NH+]1CCN([C@@H](c2nnnn2C(C)(C)C)c2cc3cc(C)ccc3[nH]c2=O)CC1 ZINC000019503419 560873788 /nfs/dbraw/zinc/87/37/88/560873788.db2.gz XEBZCRBWCRMRAG-HXUWFJFHSA-N 1 0 423.565 2.695 40 0 HFABRO CC[C@H](C(=O)NC1CC[NH+](C)CC1)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000220698139 568508489 /nfs/dbraw/zinc/50/84/89/568508489.db2.gz HNLMRAIRJLFHAR-MRXNPFEDSA-N 1 0 422.378 2.748 40 0 HFABRO Cc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000033923716 568526041 /nfs/dbraw/zinc/52/60/41/568526041.db2.gz QAJZBSFVLUGAKL-PRHHBONVSA-N 1 0 405.429 2.565 40 0 HFABRO C[NH+](C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1Cc1ccccn1 ZINC000223282262 568544062 /nfs/dbraw/zinc/54/40/62/568544062.db2.gz KPGPVCCEGKKEAP-LEWJYISDSA-N 1 0 406.559 2.861 40 0 HFABRO COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cc[nH+]cc1 ZINC000223680314 568555988 /nfs/dbraw/zinc/55/59/88/568555988.db2.gz ZBSBRMHKPKLPKJ-UXHICEINSA-N 1 0 407.499 2.803 40 0 HFABRO CN(c1ccc(C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1)S(C)(=O)=O ZINC000224660216 568591062 /nfs/dbraw/zinc/59/10/62/568591062.db2.gz CXXLLZQWCNSCST-UHFFFAOYSA-N 1 0 415.559 2.998 40 0 HFABRO O=C(NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCCC2)CC1)C1CCOCC1 ZINC000257204702 568777587 /nfs/dbraw/zinc/77/75/87/568777587.db2.gz AVYATTWSVABKPS-FIXSFTCYSA-N 1 0 400.563 2.867 40 0 HFABRO C[NH+](C)[C@@H]1C[C@@H](C(N)=O)N(CC(=O)Nc2cccc3c2CCCC3)[C@H]1c1ccccc1 ZINC000257212080 568779639 /nfs/dbraw/zinc/77/96/39/568779639.db2.gz CBVOXSXQPQTICP-GPXNEJASSA-N 1 0 420.557 2.735 40 0 HFABRO Cc1ccc2nccc(N3CCC(O)(CN(C)C(=O)c4cccc(C[NH3+])c4)CC3)c2n1 ZINC000257233214 568785564 /nfs/dbraw/zinc/78/55/64/568785564.db2.gz GOGVRLDMKOPVDK-UHFFFAOYSA-N 1 0 419.529 2.500 40 0 HFABRO CC(=O)N[C@]12C[NH2+][C@H](c3ccccc3)[C@H]1CCN(C(=O)c1cc3ccc(F)cc3[nH]1)C2 ZINC000257263528 568793908 /nfs/dbraw/zinc/79/39/08/568793908.db2.gz LQIVVIORLPDJKP-CKUXNOBLSA-N 1 0 420.488 2.989 40 0 HFABRO O=C(C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1Oc1ccccc1)N1CCCCC1 ZINC000257292585 568802236 /nfs/dbraw/zinc/80/22/36/568802236.db2.gz QMEZSWUMRBCRSN-UNMCSNQZSA-N 1 0 413.562 2.781 40 0 HFABRO CNc1cc(CN(C)C(=O)CCN(C)c2ccc(F)cc2)nc([C@@H]2CCC[NH2+]2)n1 ZINC000019759869 568870559 /nfs/dbraw/zinc/87/05/59/568870559.db2.gz MKFJGPPVVVQFKI-SFHVURJKSA-N 1 0 400.502 2.567 40 0 HFABRO CC(C)n1cc(C[N@H+]2C[C@@H]3Cc4nnc(C(=O)Nc5cccc(F)c5)n4C[C@@H]3C2)cn1 ZINC000306123201 568886425 /nfs/dbraw/zinc/88/64/25/568886425.db2.gz AHEYWKHEKRHMJC-IRXDYDNUSA-N 1 0 423.496 2.751 40 0 HFABRO O=c1c(=O)n(CC2CCCCC2)nc2n1C[C@H]1CC[N@@H+](Cc3cccc(F)c3)C[C@H]21 ZINC000306133114 568895344 /nfs/dbraw/zinc/89/53/44/568895344.db2.gz MCLXMTMHDRCKGG-QUCCMNQESA-N 1 0 412.509 2.744 40 0 HFABRO CS(=O)(=O)N[C@H]1CCN(Cc2cccs2)C[C@@]12CC[N@H+](Cc1ccccc1)C2 ZINC000306133889 568895788 /nfs/dbraw/zinc/89/57/88/568895788.db2.gz MYPBWZGBZMZKSP-LEWJYISDSA-N 1 0 419.616 2.764 40 0 HFABRO O=C(NCc1ccco1)c1nnc2n1CC1(C2)CC[NH+](Cc2cccc(F)c2)CC1 ZINC000306133718 568895963 /nfs/dbraw/zinc/89/59/63/568895963.db2.gz MTNUPMXMOZPYIY-UHFFFAOYSA-N 1 0 409.465 2.779 40 0 HFABRO C[N@@H+]1CC[C@@H](COCc2cccnc2)CC12CN(C(=O)[C@H]1Cc3ccccc3O1)C2 ZINC000306135260 568897133 /nfs/dbraw/zinc/89/71/33/568897133.db2.gz OLYVURFGGLJBQC-XMSQKQJNSA-N 1 0 407.514 2.525 40 0 HFABRO C[N@@H+]1CC[C@H](COCc2cccnc2)CC12CN(C(=O)[C@H]1Cc3ccccc3O1)C2 ZINC000306135259 568897347 /nfs/dbraw/zinc/89/73/47/568897347.db2.gz OLYVURFGGLJBQC-PGRDOPGGSA-N 1 0 407.514 2.525 40 0 HFABRO O=C1N(Cc2ccccc2)CCO[C@@]12C[N@H+](Cc1ccccn1)C[C@H]2c1cccnc1 ZINC000306142294 568903659 /nfs/dbraw/zinc/90/36/59/568903659.db2.gz WVMSNBNZUDXNJS-UKILVPOCSA-N 1 0 414.509 2.874 40 0 HFABRO O=C1N(Cc2cccnc2)c2ncccc2NC12CC[NH+](Cc1ccncc1)CC2 ZINC000306143083 568904693 /nfs/dbraw/zinc/90/46/93/568904693.db2.gz XSUIDMNJFYYSFA-UHFFFAOYSA-N 1 0 400.486 2.865 40 0 HFABRO COc1ccc(C[N@@H+]2C[C@@H](c3cccnc3)[C@@]3(C2)OCCN(CC2CC2)C3=O)cc1 ZINC000306144172 568905605 /nfs/dbraw/zinc/90/56/05/568905605.db2.gz YXZUJLWGJQNHFF-LADGPHEKSA-N 1 0 407.514 2.697 40 0 HFABRO COc1ccc(C[N@@H+]2C[C@H](c3cccnc3)[C@@]3(C2)OCCN(CC2CC2)C3=O)cc1 ZINC000306144171 568905644 /nfs/dbraw/zinc/90/56/44/568905644.db2.gz YXZUJLWGJQNHFF-ISKFKSNPSA-N 1 0 407.514 2.697 40 0 HFABRO Cc1cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)nc(NC2CCCCC2)[nH+]1 ZINC000329068258 568975603 /nfs/dbraw/zinc/97/56/03/568975603.db2.gz YNPHZKIHFVYOSS-UHFFFAOYSA-N 1 0 401.536 2.740 40 0 HFABRO CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccccc1)[NH2+][C@]21C(=O)Nc2ccc(F)cc21 ZINC000016022330 569026200 /nfs/dbraw/zinc/02/62/00/569026200.db2.gz NJGAUVRUGGJWAC-KOHOOESMSA-N 1 0 421.472 2.587 40 0 HFABRO COc1ccc(N(C)S(C)(=O)=O)cc1CN[C@H]1CCC[NH2+][C@H]1c1ccccc1 ZINC000026675175 569052395 /nfs/dbraw/zinc/05/23/95/569052395.db2.gz GZLOIBNBDUHEFY-FPOVZHCZSA-N 1 0 403.548 2.674 40 0 in-vitro HFABRO O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@H]21 ZINC000257198493 569058971 /nfs/dbraw/zinc/05/89/71/569058971.db2.gz APOCTQBTQNWTOI-OXADMNAJSA-N 1 0 418.541 2.887 40 0 HFABRO c1cc(-c2cnc(N3CCOCC3)nc2[C@H]2CCC[N@@H+](C[C@H]3CCOC3)C2)ccn1 ZINC000253588427 569318078 /nfs/dbraw/zinc/31/80/78/569318078.db2.gz BYXODLRNBQEJRG-QUCCMNQESA-N 1 0 409.534 2.591 40 0 HFABRO CC[NH+](CC)CC(=O)NCC[C@@H]1C[C@H](NC(C)=O)C[C@H](c2cc(F)cc(F)c2)O1 ZINC000019712408 569429075 /nfs/dbraw/zinc/42/90/75/569429075.db2.gz VEHBTPCKIVAODL-XUVXKRRUSA-N 1 0 411.493 2.538 40 0 HFABRO CCN(C(=O)CN(C)Cc1cc(N(C)C)nc([C@H]2CCC[NH2+]2)n1)c1cccc(C)c1 ZINC000019760315 569429659 /nfs/dbraw/zinc/42/96/59/569429659.db2.gz MYUAIWHXNJTZTM-HXUWFJFHSA-N 1 0 410.566 2.760 40 0 HFABRO CCN(C(=O)CN1CCC[C@H]1c1nc(C[NH2+]C)cc(N(C)C)n1)c1cccc(C)c1 ZINC000019760789 569429692 /nfs/dbraw/zinc/42/96/92/569429692.db2.gz OPOQBZMGSFEROD-FQEVSTJZSA-N 1 0 410.566 2.760 40 0 HFABRO CS(=O)(=O)c1ccc(C[NH2+]C[C@H]2Cn3c(-c4ccc(F)cc4)cnc3CO2)cc1 ZINC000096296375 291226104 /nfs/dbraw/zinc/22/61/04/291226104.db2.gz ILONFPYPQDGOKO-SFHVURJKSA-N 1 0 415.490 2.781 40 0 biogenic,in-vitro HFABRO COC(=O)c1ccc(CS(=O)(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000044872674 522048779 /nfs/dbraw/zinc/04/87/79/522048779.db2.gz LAELPNQNBSDAJK-UHFFFAOYSA-N 1 0 402.516 2.689 40 0 HFABRO Cc1ccc(S(=O)(=O)N(C)CC(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000032462417 525494586 /nfs/dbraw/zinc/49/45/86/525494586.db2.gz GZTOVZOQEQYBOG-UHFFFAOYSA-N 1 0 415.559 2.528 40 0 HFABRO Cc1c(NS(C)(=O)=O)cccc1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000044872044 525871556 /nfs/dbraw/zinc/87/15/56/525871556.db2.gz KHWGEQLBUBLGRR-UHFFFAOYSA-N 1 0 401.532 2.892 40 0 HFABRO CN1C(=O)N(c2ccccc2)C2(CC[NH+](C[C@H]3COc4ccccc4O3)CC2)C1=O ZINC000001640519 557278237 /nfs/dbraw/zinc/27/82/37/557278237.db2.gz WOPZHACYQXZLKH-SFHVURJKSA-N 1 0 407.470 2.760 40 0 HFABRO CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](CCSC)[NH2+][C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000005346184 557646114 /nfs/dbraw/zinc/64/61/14/557646114.db2.gz QISVXPODGKNSJE-FIBZFJQZSA-N 1 0 421.950 2.612 40 0 HFABRO C[C@]1(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CC(=O)N2C=CC=CC2=N1 ZINC000035316647 557691403 /nfs/dbraw/zinc/69/14/03/557691403.db2.gz WZDLVXHQCKKFJI-HSZRJFAPSA-N 1 0 408.502 2.963 40 0 HFABRO C[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)[C@H]1C ZINC000036719614 557850091 /nfs/dbraw/zinc/85/00/91/557850091.db2.gz BSYPWKCGXZDDHV-QYZOEREBSA-N 1 0 400.567 2.796 40 0 HFABRO O=C(Cn1cc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)ccc1=O)N1CCCCC1 ZINC000019749314 558268624 /nfs/dbraw/zinc/26/86/24/558268624.db2.gz FFVFPVLWPZPKFX-UHFFFAOYSA-N 1 0 422.529 2.709 40 0 HFABRO CNc1nc([C@@H]2CCCCN2S(=O)(=O)c2ccc(C)c(F)c2)nc2c1CC[NH2+]C2 ZINC000019754859 558273772 /nfs/dbraw/zinc/27/37/72/558273772.db2.gz HINNZSSVSFWHSR-SFHVURJKSA-N 1 0 419.526 2.527 40 0 HFABRO CCn1nc(CC(=O)N(CC[NH+](C)C)Cc2ccccc2F)c2ccccc2c1=O ZINC000012238144 558358924 /nfs/dbraw/zinc/35/89/24/558358924.db2.gz CIUXNZYDIBXJSV-UHFFFAOYSA-N 1 0 410.493 2.688 40 0 HFABRO CCOc1cc(C[NH+]2CCC(O)(c3ccccc3F)CC2)ccc1OCC(N)=O ZINC000012240494 558360079 /nfs/dbraw/zinc/36/00/79/558360079.db2.gz DXFBWKHBIBFUBT-UHFFFAOYSA-N 1 0 402.466 2.572 40 0 HFABRO Cc1c(Cl)cccc1N(CC(=O)NCCC[NH+](C)C)S(=O)(=O)c1ccccc1 ZINC000013671351 558562519 /nfs/dbraw/zinc/56/25/19/558562519.db2.gz TXBYWFJVECEFBH-UHFFFAOYSA-N 1 0 423.966 2.912 40 0 HFABRO CC[C@H](C(=O)NCC[NH+]1CCCCCC1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712885 558576975 /nfs/dbraw/zinc/57/69/75/558576975.db2.gz MWZGELWFPOPHPV-GOSISDBHSA-N 1 0 415.987 2.877 40 0 HFABRO CC[C@H](C)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1([NH2+][C@H]2CC(C)C)C(=O)Nc2c1cccc2Cl ZINC000035877133 558795588 /nfs/dbraw/zinc/79/55/88/558795588.db2.gz SGNGLVARWSWUSU-NJLBGMEMSA-N 1 0 403.910 2.905 40 0 HFABRO CCc1nc2nc3ccn(CCC[NH+](C)C)c(=O)c3c(-c3ccc(OC)cc3)n2n1 ZINC000038828807 558815927 /nfs/dbraw/zinc/81/59/27/558815927.db2.gz HBXQZCBEXRFREY-UHFFFAOYSA-N 1 0 406.490 2.629 40 0 HFABRO O=C(C1CC1)N1CCc2nc([C@@H]3CCC[N@@H+](Cc4ccc(F)cc4)C3)[nH]c(=O)c2C1 ZINC000019334062 558869129 /nfs/dbraw/zinc/86/91/29/558869129.db2.gz AIBVCCVWSKQOSB-QGZVFWFLSA-N 1 0 410.493 2.583 40 0 HFABRO CC[C@@H](CN1CC[NH+](C)CC1)NC(=O)Cc1csc(Nc2cccc(C)c2)n1 ZINC000019500327 558898545 /nfs/dbraw/zinc/89/85/45/558898545.db2.gz ODPQHJQJVVFFHO-KRWDZBQOSA-N 1 0 401.580 2.880 40 0 HFABRO CCc1nc2ccccc2c(=O)n1CC1(O)CC[NH+](Cc2cccc(OC)c2)CC1 ZINC000019523241 558904401 /nfs/dbraw/zinc/90/44/01/558904401.db2.gz DYOBXCOJKWWKKN-UHFFFAOYSA-N 1 0 407.514 2.995 40 0 HFABRO CCCn1ccc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)C[N@@H+](C(C)C)CC3)n1 ZINC000019526114 558907482 /nfs/dbraw/zinc/90/74/82/558907482.db2.gz MKTZWZGRWYIKQM-LJQANCHMSA-N 1 0 412.538 2.923 40 0 HFABRO COc1ccc(F)c([C@@H]2NC(=O)CC[C@H]2[NH2+]Cc2ccc(OC)c(OC)c2OC)c1 ZINC000019552652 558915994 /nfs/dbraw/zinc/91/59/94/558915994.db2.gz NJJQONBCBZTLSA-XLIONFOSSA-N 1 0 418.465 2.970 40 0 HFABRO Cc1c(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CC[N@@H+](C2CCCC2)C3)cnn1C ZINC000019553336 558916643 /nfs/dbraw/zinc/91/66/43/558916643.db2.gz LZLONDZZRWDARS-HXUWFJFHSA-N 1 0 424.549 2.892 40 0 HFABRO COc1ncc([C@@]2(O)CCC[C@H]3C[N@H+](Cc4ccc(F)cc4F)C[C@@H]32)c(OC)n1 ZINC000072343011 558940606 /nfs/dbraw/zinc/94/06/06/558940606.db2.gz SFHFTUGTFJFNDS-GTXQTCRKSA-N 1 0 405.445 2.892 40 0 HFABRO Cc1cc(C)n2nc(C3=CC[N@H+](C[C@H](O)c4ccc5c(c4)OCCO5)CC3)cc2n1 ZINC000072342769 558940700 /nfs/dbraw/zinc/94/07/00/558940700.db2.gz QOLYIQIWVVGVPY-FQEVSTJZSA-N 1 0 406.486 2.940 40 0 HFABRO CCS(=O)(=O)N1CCCC[C@@H]1c1nnc(C2CC[NH+](Cc3ccccn3)CC2)o1 ZINC000072344899 558941281 /nfs/dbraw/zinc/94/12/81/558941281.db2.gz QUHNTVCYCCBINC-GOSISDBHSA-N 1 0 419.551 2.721 40 0 HFABRO COc1ccc(-c2cnc(N)nc2[C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)cc1 ZINC000072346255 558943107 /nfs/dbraw/zinc/94/31/07/558943107.db2.gz GVSOLXVUEZCEPA-GOSISDBHSA-N 1 0 409.534 2.782 40 0 HFABRO COCCOc1cccc(C[N@@H+]2CC[C@@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)c1 ZINC000019593777 558944995 /nfs/dbraw/zinc/94/49/95/558944995.db2.gz SLJZBSMDDCYKEE-LJQANCHMSA-N 1 0 406.486 2.847 40 0 HFABRO COc1cc(OC)c(OC)cc1CN1C[C@@H]2C[C@@H](O)C[N@@H+]2C[C@H]1Cc1ccccc1 ZINC000019595017 558945906 /nfs/dbraw/zinc/94/59/06/558945906.db2.gz FFOHACBIFXXORV-QHAWAJNXSA-N 1 0 412.530 2.575 40 0 HFABRO COc1cccc(C[N@@H+]2CCC[C@@H]2C(=O)N2CCCN(Cc3ccccn3)CC2)c1 ZINC000019661193 558952302 /nfs/dbraw/zinc/95/23/02/558952302.db2.gz JEYLWPYHZJQDPV-HSZRJFAPSA-N 1 0 408.546 2.789 40 0 HFABRO CC(C)[C@@H](CNC(=O)c1ccc(C2CCN(C(=O)c3ccccn3)CC2)nc1)[NH+](C)C ZINC000019708138 558970183 /nfs/dbraw/zinc/97/01/83/558970183.db2.gz WYYQWSIWAYELMI-JOCHJYFZSA-N 1 0 423.561 2.812 40 0 HFABRO CNc1nc([C@@H]2CCC[N@H+](C)C2)nc2c1CCN(C(=O)c1cccc(C)c1OC)C2 ZINC000019708826 558971483 /nfs/dbraw/zinc/97/14/83/558971483.db2.gz NASKOXRUYHDTQO-MRXNPFEDSA-N 1 0 409.534 2.843 40 0 HFABRO CCOCc1ccc(C(=O)N(C)Cc2cc(N(C)C)nc(C3CC[NH2+]CC3)n2)cc1 ZINC000019710122 558971963 /nfs/dbraw/zinc/97/19/63/558971963.db2.gz JLOWCBMKIXLPCQ-UHFFFAOYSA-N 1 0 411.550 2.818 40 0 HFABRO COc1cccc2cc(C(=O)N3CCC[C@]4(CCC[N@@H+]4CC(=O)N(C)C)CC3)oc21 ZINC000585100529 559024028 /nfs/dbraw/zinc/02/40/28/559024028.db2.gz MHKVWVXQUFRLCM-QHCPKHFHSA-N 1 0 413.518 2.990 40 0 HFABRO CC(C)(C)CCNC(=O)[C@H]1C[N@H+](Cc2cccc(OCCO)c2)CC12CCOCC2 ZINC000585102008 559025198 /nfs/dbraw/zinc/02/51/98/559025198.db2.gz WGUJGYIJBOGNAS-OAQYLSRUSA-N 1 0 418.578 2.839 40 0 HFABRO C[N@@H+]1C[C@H](COCc2cccnc2)[C@]2(CCN(C(=O)Cc3cccc(F)c3F)C2)C1 ZINC000585102579 559026330 /nfs/dbraw/zinc/02/63/30/559026330.db2.gz AGZRTZFLTDPFAB-AUSIDOKSSA-N 1 0 415.484 2.899 40 0 HFABRO Cc1cccc(C(=O)N2CCC3(CC2)NC(=O)[C@@H]2C[N@H+](Cc4ccccc4)C[C@@H]23)c1 ZINC000585106266 559028717 /nfs/dbraw/zinc/02/87/17/559028717.db2.gz JRGYKJMXWFOVCP-YADHBBJMSA-N 1 0 403.526 2.848 40 0 HFABRO CCN(CC)C(=O)[C@@H]1Cn2ccnc2C2(CC[NH+](Cc3ccc(OC)cc3)CC2)O1 ZINC000096036873 559090694 /nfs/dbraw/zinc/09/06/94/559090694.db2.gz BMXAOQDELRYUJN-FQEVSTJZSA-N 1 0 412.534 2.650 40 0 HFABRO CC(C)C[N@@H+]1CC2(CCN(C(=O)Cc3ccsc3)CC2)[C@]2(CCN(C)C2=O)C1 ZINC000096144195 559096472 /nfs/dbraw/zinc/09/64/72/559096472.db2.gz XDVASLYQRCFBQW-JOCHJYFZSA-N 1 0 403.592 2.720 40 0 HFABRO COc1cccc(-c2nc3c(s2)N(CC2CC2)[C@H](C(=O)NCC[NH+](C)C)C3)c1 ZINC000096146757 559098151 /nfs/dbraw/zinc/09/81/51/559098151.db2.gz FKLRZKMYRFWCLM-SFHVURJKSA-N 1 0 400.548 2.638 40 0 HFABRO CCOc1cc(C[N@H+](C)C[C@H](O)c2ccccc2)ccc1OCCN1CCOCC1 ZINC000585272070 559117803 /nfs/dbraw/zinc/11/78/03/559117803.db2.gz ITHBNRCPMXSBQL-QFIPXVFZSA-N 1 0 414.546 2.962 40 0 HFABRO CCOc1ccccc1OC[C@H](O)C[N@H+](C)Cc1cccc(CN2CCOCC2)c1 ZINC000585274183 559118449 /nfs/dbraw/zinc/11/84/49/559118449.db2.gz UHNKJMUCVYSAII-JOCHJYFZSA-N 1 0 414.546 2.789 40 0 HFABRO CC(=O)NCCCOc1ccc(C[N@@H+]2CCC[C@](O)(COc3ccccc3)C2)cc1 ZINC000585279642 559119258 /nfs/dbraw/zinc/11/92/58/559119258.db2.gz DZQCUYWPCSWPMX-XMMPIXPASA-N 1 0 412.530 2.998 40 0 HFABRO CCOC(=O)N1CCC([N@@H+]2CCOC[C@@](O)(COc3cc(C)cc(C)c3C)C2)CC1 ZINC000585282017 559119745 /nfs/dbraw/zinc/11/97/45/559119745.db2.gz FTVWJSJPPHUDHY-HSZRJFAPSA-N 1 0 420.550 2.675 40 0 HFABRO O=C(Cc1ccc(Cl)cc1)N1CC[C@H](O)[C@@](O)(C[NH2+]Cc2cccc(Cl)c2)C1 ZINC000585283567 559120602 /nfs/dbraw/zinc/12/06/02/559120602.db2.gz FCLDUPPHRWGBLK-PZJWPPBQSA-N 1 0 423.340 2.650 40 0 HFABRO COc1ccc2[nH]c(=O)c(CN(CC[NH+](C)C)C(=O)NC3CCCCC3)cc2c1 ZINC000001327281 560573518 /nfs/dbraw/zinc/57/35/18/560573518.db2.gz AYPLUWNQKNJGDA-UHFFFAOYSA-N 1 0 400.523 2.943 40 0 HFABRO CCc1ccc2[nH]c(=O)c(CN(CC[NH+](CC)CC)C(=S)NCCOC)cc2c1 ZINC000004133671 560600777 /nfs/dbraw/zinc/60/07/77/560600777.db2.gz JEKNQFVYBVIANP-UHFFFAOYSA-N 1 0 418.607 2.755 40 0 HFABRO COc1cccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccccc3)[C@@H]2c2ccccc2)c1 ZINC000409057258 560670541 /nfs/dbraw/zinc/67/05/41/560670541.db2.gz JZWSYJHHGRLXPQ-RUHLTXABSA-O 1 0 400.458 2.711 40 0 HFABRO COc1ccc([C@H]2[C@@H](NC(=O)c3ccccc3)C(=O)N/[N+]2=C\c2ccccc2)cc1 ZINC000409060466 560671174 /nfs/dbraw/zinc/67/11/74/560671174.db2.gz VPXRUBWWWWLTHC-RUHLTXABSA-O 1 0 400.458 2.711 40 0 HFABRO COc1ccc(S(=O)(=O)NCCC[NH+]2CCC(C)CC2)cc1Br ZINC000007728797 560752038 /nfs/dbraw/zinc/75/20/38/560752038.db2.gz PHTWKRRWIKIILG-UHFFFAOYSA-N 1 0 405.358 2.858 40 0 HFABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+](C)C)c2ccc(Cl)cc2)cc1 ZINC000010111370 560763794 /nfs/dbraw/zinc/76/37/94/560763794.db2.gz RAHFZVGTSXXMNP-UHFFFAOYSA-N 1 0 423.966 2.912 40 0 HFABRO Cc1ccc2[nH]c3c(ncn(CC(=O)N4CC[NH+](C5CCCCC5)CC4)c3=O)c2c1 ZINC000014001130 560837315 /nfs/dbraw/zinc/83/73/15/560837315.db2.gz ZGUABLILDLMOGB-UHFFFAOYSA-N 1 0 407.518 2.663 40 0 HFABRO CC[C@@H](C)[C@@H]1[NH2+][C@@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 ZINC000015959307 560857733 /nfs/dbraw/zinc/85/77/33/560857733.db2.gz IBXANRPQRNBPCR-GYPUZHRCSA-N 1 0 403.482 2.653 40 0 HFABRO CCc1nnc(N2CCN(c3ncnc4c3cnn4Cc3ccccc3)CC2)s1 ZINC000036729325 560884110 /nfs/dbraw/zinc/88/41/10/560884110.db2.gz CCLDDMYRDPBITE-UHFFFAOYSA-N 1 0 406.519 2.615 40 0 HFABRO CC[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 ZINC000223685659 568556214 /nfs/dbraw/zinc/55/62/14/568556214.db2.gz HPMQOKBURCNNPO-IBGZPJMESA-N 1 0 419.591 2.919 40 0 HFABRO CN(c1ccc(C(=O)NC2CC[NH+](C)CC2)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000224236328 568574675 /nfs/dbraw/zinc/57/46/75/568574675.db2.gz MIZZEHXLKCVJPM-UHFFFAOYSA-N 1 0 421.950 2.989 40 0 HFABRO CN(C)c1cn[nH+]c(N2CCN(C(=O)C(C)(C)Oc3ccc(Cl)cc3)CC2)c1 ZINC000224309834 568577472 /nfs/dbraw/zinc/57/74/72/568577472.db2.gz NZFITSDPRCWVSC-UHFFFAOYSA-N 1 0 403.914 2.702 40 0 HFABRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)C1 ZINC000224384102 568579677 /nfs/dbraw/zinc/57/96/77/568579677.db2.gz PARBDQBPCPFJCR-QZTJIDSGSA-N 1 0 407.580 2.714 40 0 HFABRO CCN(Cc1ccc(C(=O)NCC[NH+](C)C)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224462602 568581979 /nfs/dbraw/zinc/58/19/79/568581979.db2.gz UGWHCKUTVAAZFY-UHFFFAOYSA-N 1 0 423.966 2.842 40 0 HFABRO CNS(=O)(=O)c1cccc(C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000224703430 568592976 /nfs/dbraw/zinc/59/29/76/568592976.db2.gz NOFCOAHDNAVECM-UHFFFAOYSA-N 1 0 401.532 2.511 40 0 HFABRO Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1N(C)S(C)(=O)=O ZINC000224798996 568597194 /nfs/dbraw/zinc/59/71/94/568597194.db2.gz ZRYBSZAGBBNJFQ-UHFFFAOYSA-N 1 0 415.559 2.917 40 0 HFABRO COc1ccc(N2C(=O)C[C@H]([NH2+]CCc3ccc(OC)c(OC)c3)C2=O)cc1Cl ZINC000020494143 568615308 /nfs/dbraw/zinc/61/53/08/568615308.db2.gz XJVPHMZQKBFSHW-INIZCTEOSA-N 1 0 418.877 2.830 40 0 HFABRO COc1cc(NC(=S)NC2CC[NH+](C3CCOCC3)CC2)cc(OC)c1OC ZINC000225213228 568623511 /nfs/dbraw/zinc/62/35/11/568623511.db2.gz WBAPKPAPQKMKJC-UHFFFAOYSA-N 1 0 409.552 2.642 40 0 HFABRO Cc1ccc(=O)n(CC(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCC[C@H]4[N@H+](C)[C@H]3Cc2ccccc2)n1 ZINC000257271092 568795937 /nfs/dbraw/zinc/79/59/37/568795937.db2.gz MWVDOLLOWGGEEL-CZLVRFMKSA-N 1 0 420.557 2.637 40 0 HFABRO CC(=O)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccccc1)CN2C(=O)c1cccc(OCC[NH3+])c1 ZINC000257281107 568798670 /nfs/dbraw/zinc/79/86/70/568798670.db2.gz ONQKLGXGAKCQNH-DNVJHFABSA-N 1 0 407.514 2.501 40 0 HFABRO Cc1nccn1[C@@H]1CCC[C@@H](NC(=O)C2(Cc3ccccc3)CC[NH+](C)CC2)[C@H]1O ZINC000257310737 568807487 /nfs/dbraw/zinc/80/74/87/568807487.db2.gz UGHLPCUGVVTFOQ-YPAWHYETSA-N 1 0 410.562 2.717 40 0 HFABRO CN1CCN(C(=O)c2ccccc2OCCN2CCCC2=O)C[C@@H]1c1ccccc1 ZINC000257317199 568809459 /nfs/dbraw/zinc/80/94/59/568809459.db2.gz VITAHNPNSMNNQG-OAQYLSRUSA-N 1 0 407.514 2.817 40 0 HFABRO O=C(c1ccccc1N1CCOCC1)N1CCO[C@@]2(CCCC[C@H]2[NH+]2CCCC2)C1 ZINC000306126908 568889759 /nfs/dbraw/zinc/88/97/59/568889759.db2.gz FINAHRUMVSCAPE-VWNXMTODSA-N 1 0 413.562 2.773 40 0 HFABRO O=C(c1ccc2c(c1)OCO2)N1CCO[C@]2(CCCC[C@@H]2[NH2+]Cc2cccnc2)C1 ZINC000306130001 568892502 /nfs/dbraw/zinc/89/25/02/568892502.db2.gz ITRDMNMLAGMEKL-JTHBVZDNSA-N 1 0 409.486 2.754 40 0 HFABRO COCCN1C[C@]2(CC[N@H+](Cc3cccc(C)c3)C2)Oc2ccccc2S1(=O)=O ZINC000306135832 568897678 /nfs/dbraw/zinc/89/76/78/568897678.db2.gz PCGLWXUBYRRTIO-JOCHJYFZSA-N 1 0 416.543 2.669 40 0 HFABRO CC[C@H](C)NC(=O)c1nnc2n1CC1(CC[NH+](Cc3ccccc3F)CC1)COC2 ZINC000306136548 568898498 /nfs/dbraw/zinc/89/84/98/568898498.db2.gz PWLMAOHVSHJTRQ-INIZCTEOSA-N 1 0 415.513 2.758 40 0 HFABRO CC[C@H](C)NC(=O)c1nnc2n1CC1(CC[NH+](Cc3cccc(C)c3)CC1)COC2 ZINC000306139284 568901235 /nfs/dbraw/zinc/90/12/35/568901235.db2.gz STYXUNKFCVCXDW-SFHVURJKSA-N 1 0 411.550 2.927 40 0 HFABRO COc1ccc(C[N@H+]2C[C@H]3Cc4nnc(C(=O)NCc5ccccc5)n4C[C@@H]3C2)cc1 ZINC000306140361 568902049 /nfs/dbraw/zinc/90/20/49/568902049.db2.gz UREIJZAJWDPYET-UXHICEINSA-N 1 0 417.513 2.521 40 0 HFABRO CC(C)(C)NC(=O)c1nnc2n1CC1(CC[NH+](Cc3cccs3)CC1)COC2 ZINC000306142048 568903716 /nfs/dbraw/zinc/90/37/16/568903716.db2.gz WNPMNEYKYDVOSG-UHFFFAOYSA-N 1 0 403.552 2.681 40 0 HFABRO O=C1N(Cc2ccccc2)CCO[C@]12C[N@H+](Cc1ccccn1)C[C@H]2c1cccnc1 ZINC000306142295 568903776 /nfs/dbraw/zinc/90/37/76/568903776.db2.gz WVMSNBNZUDXNJS-ZCYQVOJMSA-N 1 0 414.509 2.874 40 0 HFABRO CC[NH+](CC)C[C@H]1CC2(CCN(C(=O)c3ccc(N4CCOCC4)c(C)c3)CC2)O1 ZINC000306143065 568904686 /nfs/dbraw/zinc/90/46/86/568904686.db2.gz XSIVJHCUWBHNTQ-OAQYLSRUSA-N 1 0 415.578 2.937 40 0 HFABRO Cn1cc(C(=O)N2CCO[C@]3(CCCC[C@H]3[NH+]3CCCC3)C2)c(=O)c2ccccc21 ZINC000306143587 568905035 /nfs/dbraw/zinc/90/50/35/568905035.db2.gz YGJZWUDEQKDDHB-ZJSXRUAMSA-N 1 0 409.530 2.788 40 0 HFABRO O=C1N(Cc2ccccc2)CCO[C@@]12C[N@H+](Cc1ccncc1)C[C@H]2c1cccnc1 ZINC000306144046 568905459 /nfs/dbraw/zinc/90/54/59/568905459.db2.gz YUIXZJRWCDQNIP-UKILVPOCSA-N 1 0 414.509 2.874 40 0 HFABRO C[N@@H+]1CC[C@H](COCc2ccccn2)CC12CN(C(=O)c1ccc3c(c1)COC3)C2 ZINC000306144431 568905827 /nfs/dbraw/zinc/90/58/27/568905827.db2.gz ZEVFRJQLQLXKDB-SFHVURJKSA-N 1 0 407.514 2.865 40 0 HFABRO O=C1N(Cc2ccsc2)CCO[C@@]12C[N@H+](Cc1ccccn1)C[C@H]2c1cccnc1 ZINC000306144793 568906350 /nfs/dbraw/zinc/90/63/50/568906350.db2.gz ZONKHPUOQBGCPF-JTHBVZDNSA-N 1 0 420.538 2.935 40 0 HFABRO CC(C)(C)OC(=O)N[C@]1(C[NH3+])[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218037045 568924585 /nfs/dbraw/zinc/92/45/85/568924585.db2.gz CYPPSCAOSORZEQ-LVCYWYKZSA-N 1 0 402.516 2.849 40 0 HFABRO [NH3+][C@]1(CO)[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218241735 568928666 /nfs/dbraw/zinc/92/86/66/568928666.db2.gz CJEHKWYEIGCAAD-HRCADAONSA-N 1 0 416.724 2.732 40 0 HFABRO COc1ccc(Nc2cc(-c3ccncc3)nc(NCCC[NH+](C)C)n2)c(OC)c1 ZINC000328993753 568971811 /nfs/dbraw/zinc/97/18/11/568971811.db2.gz JBCSGXGSJNHRGN-UHFFFAOYSA-N 1 0 408.506 2.507 40 0 HFABRO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000103520172 569048404 /nfs/dbraw/zinc/04/84/04/569048404.db2.gz GIOAWWPCSIQNBC-ZVVFGRKBSA-N 1 0 419.456 2.874 40 0 HFABRO CC(C)(C)OC(=O)N[C@]1(C[NH3+])[C@@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccccc1 ZINC000252515281 569283860 /nfs/dbraw/zinc/28/38/60/569283860.db2.gz IDDWGOGVDCIUJZ-WAOWUJCRSA-N 1 0 420.506 2.988 40 0 HFABRO CC(C)C[NH+]1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)C3CCCCC3)C1)C2=O ZINC000019699778 569347023 /nfs/dbraw/zinc/34/70/23/569347023.db2.gz APRJALVHNXZELI-LJQANCHMSA-N 1 0 418.582 2.600 40 0 HFABRO CC[NH+]1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)CCC3CCCCC3)C1)C2=O ZINC000019699831 569347097 /nfs/dbraw/zinc/34/70/97/569347097.db2.gz WLACDGLHWIWYLE-IBGZPJMESA-N 1 0 418.582 2.744 40 0 HFABRO COc1cc(OC)cc(C(=O)NC(=S)Nc2ccccc2N2CC[NH+](C)CC2)c1 ZINC000033665500 569350955 /nfs/dbraw/zinc/35/09/55/569350955.db2.gz WUGOTFPMZBCIEZ-UHFFFAOYSA-N 1 0 414.531 2.582 40 0 HFABRO CN1CCC([N@H+]2C[C@H]3C[C@H](Cn4c(=O)ccc(NC(=O)C5CCCCC5)c43)C2)CC1 ZINC000020503704 575370191 /nfs/dbraw/zinc/37/01/91/575370191.db2.gz JNKHOYRPVPFPQZ-PKOBYXMFSA-N 1 0 412.578 2.880 40 0 biogenic,in-vitro HFABRO CC(=O)N1CCC([N@@H+]2CCC[C@H]2c2nc(-c3ccnc(N4CCCC4)c3)no2)CC1 ZINC000035426322 291215263 /nfs/dbraw/zinc/21/52/63/291215263.db2.gz WBUAGFMZIDYEBJ-IBGZPJMESA-N 1 0 410.522 2.880 40 0 biogenic,in-vitro HFABRO CN(Cc1nc(C2(O)CC[NH+](C3CCOCC3)CC2)cs1)Cc1cccnc1 ZINC000225425885 291220275 /nfs/dbraw/zinc/22/02/75/291220275.db2.gz DOYIAOIJIGATSM-UHFFFAOYSA-N 1 0 402.564 2.633 40 0 biogenic,in-vitro HFABRO O=C(C[NH+]1CCC(n2cnc3cccnc32)CC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000012144602 132355135 /nfs/dbraw/zinc/35/51/35/132355135.db2.gz PRJIHVFFKRHVBJ-UHFFFAOYSA-N 1 0 422.508 2.556 40 0 HFABRO CCS(=O)(=O)N(C)c1ccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000044871858 521659071 /nfs/dbraw/zinc/65/90/71/521659071.db2.gz CXWZDSMBHRAPCX-UHFFFAOYSA-N 1 0 415.559 2.998 40 0 HFABRO CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(C)C)[NH2+][C@@]21C(=O)Nc2c1cccc2Cl ZINC000043730156 522106812 /nfs/dbraw/zinc/10/68/12/522106812.db2.gz SGNGLVARWSWUSU-IFFPOQKRSA-N 1 0 403.910 2.905 40 0 HFABRO Cc1cc2c(c(C)c1)NC(=O)[C@@]21[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000033685245 525589755 /nfs/dbraw/zinc/58/97/55/525589755.db2.gz GIOAWWPCSIQNBC-PLOUGOBLSA-N 1 0 419.456 2.874 40 0 HFABRO Cc1ccc([C@H](c2nnnn2C[C@H]2CCCO2)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000020140738 525980560 /nfs/dbraw/zinc/98/05/60/525980560.db2.gz OHQUQEPLOXLIAC-FGZHOGPDSA-N 1 0 410.566 2.810 40 0 HFABRO Cc1ccc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1NS(C)(=O)=O ZINC000032445794 526187614 /nfs/dbraw/zinc/18/76/14/526187614.db2.gz GPYMSKSAYSLXOT-UHFFFAOYSA-N 1 0 401.532 2.892 40 0 HFABRO O=C(NCCC[NH+]1CCCCCC1)c1ccc(CS(=O)(=O)N2CCCC2)cc1 ZINC000020036271 527665481 /nfs/dbraw/zinc/66/54/81/527665481.db2.gz RRFNPJYEDACIDZ-UHFFFAOYSA-N 1 0 407.580 2.608 40 0 HFABRO Cc1cccc2cc(CN(CCC[NH+](C)C)C(=S)NC[C@H]3CCCO3)c(=O)[nH]c12 ZINC000035312825 557688514 /nfs/dbraw/zinc/68/85/14/557688514.db2.gz FHFGNLJEKVIUQY-LJQANCHMSA-N 1 0 416.591 2.644 40 0 HFABRO COc1cc(OC)c(OC)cc1C[NH2+]CCCSc1nnnn1-c1ccccc1 ZINC000007541383 557746314 /nfs/dbraw/zinc/74/63/14/557746314.db2.gz XHIQELDIBCHINN-UHFFFAOYSA-N 1 0 415.519 2.960 40 0 HFABRO COCC(=O)NCc1cnc2cc(C)nn2c1C1CC[NH+](Cc2ccccc2)CC1 ZINC000019743662 558264279 /nfs/dbraw/zinc/26/42/79/558264279.db2.gz WRSIMLVIQKEZCK-UHFFFAOYSA-N 1 0 407.518 2.680 40 0 HFABRO CC(C)(C)Nc1c(C2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)[nH+]c2ccc(F)cn21 ZINC000012127982 558331472 /nfs/dbraw/zinc/33/14/72/558331472.db2.gz WFAISFXOVMEYPS-HNNXBMFYSA-N 1 0 401.486 2.668 40 0 HFABRO COc1ccc2c(c1)c([C@@H](O)C[NH+]1CCC(O)(Cn3ccnc3C)CC1)c(C)n2C ZINC000012143550 558335407 /nfs/dbraw/zinc/33/54/07/558335407.db2.gz OATYPWHXDRKOAG-NRFANRHFSA-N 1 0 412.534 2.561 40 0 HFABRO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)N2CCC(c3cc(=O)n4c(n3)CCCCC4)CC2)C1 ZINC000012235886 558358760 /nfs/dbraw/zinc/35/87/60/558358760.db2.gz WXEGXCOVYOMXLN-QZTJIDSGSA-N 1 0 400.567 2.654 40 0 HFABRO COc1ccc(C[N@@H+]2CC=CC[C@@]3(C(=O)N4CCN(C)CC4)CCC[C@@H]23)c(F)c1 ZINC000012326469 558383246 /nfs/dbraw/zinc/38/32/46/558383246.db2.gz DCBPSHMAGULYMU-FYYLOGMGSA-N 1 0 401.526 2.909 40 0 HFABRO O=c1ccc(C2CC2)nn1CC1(O)C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(F)c1F ZINC000012366344 558388213 /nfs/dbraw/zinc/38/82/13/558388213.db2.gz GSJOOMPEHFCUMB-AQKKSAQBSA-N 1 0 401.457 2.957 40 0 HFABRO O=c1ccc(C2CC2)nn1CC1(O)C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(F)cc(F)c1 ZINC000012366340 558388309 /nfs/dbraw/zinc/38/83/09/558388309.db2.gz XMMAXZVIXHZQIR-QIDMFYOTSA-N 1 0 401.457 2.957 40 0 HFABRO CC[C@@H](CN1CC[NH+](C)CC1)NC(=O)Cc1csc(Nc2ccccc2F)n1 ZINC000022584296 558500010 /nfs/dbraw/zinc/50/00/10/558500010.db2.gz LYTYKTFMUCWBTJ-HNNXBMFYSA-N 1 0 405.543 2.711 40 0 HFABRO C[C@H](C(=O)NCCC[NH+]1CCC(C)CC1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013668578 558560522 /nfs/dbraw/zinc/56/05/22/558560522.db2.gz UCQAVFHLJBHGRQ-MRXNPFEDSA-N 1 0 415.987 2.733 40 0 HFABRO C[C@H](C(=O)NCCC[NH+]1CCCC1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000013671204 558562327 /nfs/dbraw/zinc/56/23/27/558562327.db2.gz SVHBYEBBFPWKLZ-CYBMUJFWSA-N 1 0 422.378 2.750 40 0 HFABRO CC[C@H](C(=O)NCC[NH+]1CCCCCC1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716854 558579745 /nfs/dbraw/zinc/57/97/45/558579745.db2.gz IKPAXLYVWXJVIM-HXUWFJFHSA-N 1 0 409.596 2.840 40 0 HFABRO Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)N[C@H](C)C(C)C)CC1(CC[NH+](C)CC1)O2 ZINC000019218399 558851226 /nfs/dbraw/zinc/85/12/26/558851226.db2.gz ZFRJTJCYEMQAQT-MSOLQXFVSA-N 1 0 401.551 2.843 40 0 HFABRO Cc1ccsc1C[N@@H+]1CCC[C@H](c2nc3c(c(=O)[nH]2)CN(C(=O)C2CC2)CC3)C1 ZINC000019238638 558857427 /nfs/dbraw/zinc/85/74/27/558857427.db2.gz KTHWPCFVRVWUAJ-INIZCTEOSA-N 1 0 412.559 2.814 40 0 HFABRO Cn1nc(-c2cccnc2)cc1C[NH+]1CCC(NC(=O)Cc2ccccc2F)CC1 ZINC000019288985 558861854 /nfs/dbraw/zinc/86/18/54/558861854.db2.gz GSYOQUADURCZHY-UHFFFAOYSA-N 1 0 407.493 2.945 40 0 HFABRO O=c1cc([C@H]2CC[N@@H+](Cc3cccc(Cl)c3Cl)C2)nc(N2CCOCC2)[nH]1 ZINC000019292611 558864509 /nfs/dbraw/zinc/86/45/09/558864509.db2.gz NGRRAISCSPATEA-ZDUSSCGKSA-N 1 0 409.317 2.903 40 0 HFABRO O=C(C[N@H+]1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(F)cc1)CN2C(=O)C1CC1)NC1CCCC1 ZINC000019336347 558870011 /nfs/dbraw/zinc/87/00/11/558870011.db2.gz AUYQJWDQRUSYRX-YPAWHYETSA-N 1 0 413.537 2.911 40 0 HFABRO O=C(c1ccn(C(F)F)n1)N1CCC([NH+]2CCN(Cc3ccccc3)CC2)CC1 ZINC000019372179 558879481 /nfs/dbraw/zinc/87/94/81/558879481.db2.gz GVZSIRARPZMDHZ-UHFFFAOYSA-N 1 0 403.477 2.701 40 0 HFABRO O=C(c1ccc(F)cc1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC(O)CC1 ZINC000019372503 558879749 /nfs/dbraw/zinc/87/97/49/558879749.db2.gz LTQYETQTOKCDLN-FGZHOGPDSA-N 1 0 410.489 2.740 40 0 HFABRO CC(C)[N@@H+]1CCc2nc([C@H]3CCCCN3C(=O)c3cccc(N(C)C)c3)[nH]c(=O)c2C1 ZINC000019448182 558886889 /nfs/dbraw/zinc/88/68/89/558886889.db2.gz GZXGADXPQUAABW-OAQYLSRUSA-N 1 0 423.561 2.970 40 0 HFABRO CC(C)[N@@H+]1CCc2c(nc([C@H]3CCCN3C(=O)c3ccc4c(c3)OCO4)[nH]c2=O)C1 ZINC000019448415 558887313 /nfs/dbraw/zinc/88/73/13/558887313.db2.gz BTKWVCQFUOUUJY-QGZVFWFLSA-N 1 0 410.474 2.655 40 0 HFABRO CC(C)[N@H+]1CCc2nc3cc(C(=O)NCc4ccc(F)cc4)ccc3c(=O)n2CC1 ZINC000019448627 558887483 /nfs/dbraw/zinc/88/74/83/558887483.db2.gz JFEJFTWEVOEUAO-UHFFFAOYSA-N 1 0 408.477 2.732 40 0 HFABRO COc1cccc([C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]2c2csnn2)c1 ZINC000019496877 558895726 /nfs/dbraw/zinc/89/57/26/558895726.db2.gz YODUEVWCIWJKGU-RBUKOAKNSA-N 1 0 400.548 2.988 40 0 HFABRO C[C@H]1CN(c2nccc(CN3CC[NH+](CCCc4ccccc4)CC3)n2)C[C@H](C)O1 ZINC000019497710 558896388 /nfs/dbraw/zinc/89/63/88/558896388.db2.gz QUEBPCPPUMVFAT-SFTDATJTSA-N 1 0 409.578 2.841 40 0 HFABRO CCC(=O)N1C[C@H](c2ccc(F)cc2)[C@H]2C[N@H+](CC(=O)N3CCCCC3)CC[C@H]21 ZINC000019499189 558897535 /nfs/dbraw/zinc/89/75/35/558897535.db2.gz XUROVZBMPUYMSZ-NJDAHSKKSA-N 1 0 401.526 2.865 40 0 HFABRO COc1ccc(C[NH+]2CCC(CNC(=O)C[C@H]3Oc4ccccc4NC3=O)CC2)cc1 ZINC000019554991 558917927 /nfs/dbraw/zinc/91/79/27/558917927.db2.gz BZKMHXKAKMCDNT-JOCHJYFZSA-N 1 0 423.513 2.813 40 0 HFABRO COC(=O)[C@@]1(Cc2nccc(OC)c2OC)C(=O)C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1 ZINC000072340272 558939120 /nfs/dbraw/zinc/93/91/20/558939120.db2.gz CYXIUZNNVMXCHK-VWQFJMCTSA-N 1 0 424.497 2.807 40 0 HFABRO C[N@H+](CCc1ccccc1)CC(=O)N1CCC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000019586203 558939382 /nfs/dbraw/zinc/93/93/82/558939382.db2.gz IIKWZQOORGFMIG-OAQYLSRUSA-N 1 0 422.573 2.850 40 0 HFABRO COCCOc1ccc(C[N@@H+]2CC[C@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)cc1 ZINC000019593682 558944787 /nfs/dbraw/zinc/94/47/87/558944787.db2.gz RGVXTXKTXFHLOO-IBGZPJMESA-N 1 0 406.486 2.847 40 0 HFABRO Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NC3CC[NH+](C)CC3)cc2)cc1 ZINC000061497987 558945343 /nfs/dbraw/zinc/94/53/43/558945343.db2.gz RYSOEZWNQLESKK-UHFFFAOYSA-N 1 0 401.532 2.644 40 0 HFABRO COc1ccccc1CN(C(=O)c1nc2ccccc2n(C)c1=O)C1CC[NH+](C)CC1 ZINC000019666391 558956247 /nfs/dbraw/zinc/95/62/47/558956247.db2.gz PPCYACVQBSQCJQ-UHFFFAOYSA-N 1 0 420.513 2.679 40 0 HFABRO Cc1nc([C@H]2CCCN2C(=O)C[NH+](C)C)nc2c1CCC(=O)N2CCc1ccccc1 ZINC000072371108 558957629 /nfs/dbraw/zinc/95/76/29/558957629.db2.gz AEMUJKOYSUTNFZ-HXUWFJFHSA-N 1 0 421.545 2.532 40 0 HFABRO O=C(C[N@@H+]1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000072373098 558960865 /nfs/dbraw/zinc/96/08/65/558960865.db2.gz ROOULFYYWGUYBD-DYXWJJEUSA-N 1 0 412.578 2.940 40 0 HFABRO Cc1cc(C)nc(Nc2cc(C)[nH+]c([C@H]3CCCN(C(=O)CN4CCOCC4)C3)c2)n1 ZINC000072374932 558963412 /nfs/dbraw/zinc/96/34/12/558963412.db2.gz ACHRLWAPMQYVFH-IBGZPJMESA-N 1 0 424.549 2.579 40 0 HFABRO CNc1nc(C2CC[NH+](C)CC2)nc2c1CCN(C(=O)CCc1ccc(F)cc1)C2 ZINC000019707823 558969921 /nfs/dbraw/zinc/96/99/21/558969921.db2.gz HPXPWLLBPOOHBI-UHFFFAOYSA-N 1 0 411.525 2.984 40 0 HFABRO CNc1cc(C[NH+](C)C)nc(C2CCN(C(=O)CCc3ccc(OC)cc3)CC2)n1 ZINC000019709689 558971627 /nfs/dbraw/zinc/97/16/27/558971627.db2.gz WGVXWCDMAMPYDB-UHFFFAOYSA-N 1 0 411.550 2.927 40 0 HFABRO C[N@@H+](Cc1cccnc1)C[C@H]1CC2(CO1)CCN(C(=O)CCc1cccnc1)CC2 ZINC000585103592 559025624 /nfs/dbraw/zinc/02/56/24/559025624.db2.gz HOMSOGJAMJMCIT-JOCHJYFZSA-N 1 0 408.546 2.939 40 0 HFABRO COCC[N@H+](C[C@@H]1CC2(CO1)CCN(S(=O)(=O)c1ccccc1C)CC2)C(C)C ZINC000585104913 559027432 /nfs/dbraw/zinc/02/74/32/559027432.db2.gz XDCVPOUXGPLYFB-FQEVSTJZSA-N 1 0 424.607 2.912 40 0 HFABRO C[C@@H](c1ccccc1)N1C(=O)C[C@H]2[C@@H]1CC[N@@H+]2Cc1ccnc(N2CCOCC2)c1 ZINC000585109147 559030315 /nfs/dbraw/zinc/03/03/15/559030315.db2.gz YAONYENQMNRGBX-NYVOZVTQSA-N 1 0 406.530 2.855 40 0 HFABRO CCN1CC[C@@]2(CN(C(=O)N(C)C)CC23CC[NH+](Cc2ccc(C)s2)CC3)C1=O ZINC000096036577 559090439 /nfs/dbraw/zinc/09/04/39/559090439.db2.gz ZSLSWZFHEXRQJR-JOCHJYFZSA-N 1 0 418.607 2.875 40 0 HFABRO Cc1ccc(C[N@@H+]2CCC[C@]3(C(=O)NCC4CC4)CN(c4ncccn4)C[C@@H]3C2)o1 ZINC000096056145 559093920 /nfs/dbraw/zinc/09/39/20/559093920.db2.gz KWIJBYNQBIXHCE-CVDCTZTESA-N 1 0 409.534 2.623 40 0 HFABRO CCOC(=O)[C@@]12C[N@H+](Cc3cccc(C)n3)C[C@@H]1CN(C(=O)c1ccccn1)CCC2 ZINC000096056093 559094035 /nfs/dbraw/zinc/09/40/35/559094035.db2.gz ITGNKMIUCXMTNS-DVECYGJZSA-N 1 0 422.529 2.703 40 0 HFABRO CC[N@@H+]1C[C@H]2C3(CC[C@@]2(C(=O)NC)C1)CCN(C(=O)Nc1cccc(OC)c1)CC3 ZINC000096062591 559094118 /nfs/dbraw/zinc/09/41/18/559094118.db2.gz CZZDRDAVWIAQTE-WMZHIEFXSA-N 1 0 414.550 2.787 40 0 HFABRO CC[N@@H+]1CC[C@@]2(C(=O)N3CCCC3)CCN(C(=O)Cc3ccc(OC)cc3)CC[C@@H]12 ZINC000096145338 559097236 /nfs/dbraw/zinc/09/72/36/559097236.db2.gz KLNFISJWFMGJQL-ZJSXRUAMSA-N 1 0 413.562 2.563 40 0 HFABRO C[NH+](C)C1CCN(C(=O)C2=NO[C@@]3(CCN(Cc4ccc(Cl)c(F)c4)C3)C2)CC1 ZINC000096225685 559102473 /nfs/dbraw/zinc/10/24/73/559102473.db2.gz SVQDNNBTNMAILX-NRFANRHFSA-N 1 0 422.932 2.753 40 0 HFABRO COc1ccc(NC(=O)c2ccc3nnc([C@H]4C[N@H+](CC5CC5)CCN4C)n3c2)cc1 ZINC000096268002 559108392 /nfs/dbraw/zinc/10/83/92/559108392.db2.gz UUCYYERMMOAHRJ-HXUWFJFHSA-N 1 0 420.517 2.689 40 0 HFABRO CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCN1Cc1cccc(Oc2ncccn2)c1 ZINC000585261941 559109668 /nfs/dbraw/zinc/10/96/68/559109668.db2.gz BOPFAIDIYJNHQO-QFIPXVFZSA-N 1 0 417.513 2.701 40 0 HFABRO COc1cccc(C(=O)N[C@@H]2C[C@@H](Oc3cccc(F)c3)[C@H](O)[C@H]2[NH+]2CCCC2)c1 ZINC000585262404 559110911 /nfs/dbraw/zinc/11/09/11/559110911.db2.gz OYSZHBFCCVYJHI-CZYKHXBRSA-N 1 0 414.477 2.609 40 0 HFABRO CCOC(=O)N1CCC([N@@H+]2CCOC[C@](O)(COc3cc(C)cc(C)c3C)C2)CC1 ZINC000585282018 559119735 /nfs/dbraw/zinc/11/97/35/559119735.db2.gz FTVWJSJPPHUDHY-QHCPKHFHSA-N 1 0 420.550 2.675 40 0 HFABRO O=C(c1ccc(Cl)cc1)N1CC[C@](O)(C[NH2+]CCc2ccc(Cl)cc2)[C@@H](O)C1 ZINC000585283683 559120824 /nfs/dbraw/zinc/12/08/24/559120824.db2.gz GQCBFFBSIRCXER-FPOVZHCZSA-N 1 0 423.340 2.764 40 0 HFABRO CC(=O)N1CC[N@H+](CC2(O)CCCCCC2)C[C@](O)(COc2cc(C)cc(C)c2)C1 ZINC000585284990 559121439 /nfs/dbraw/zinc/12/14/39/559121439.db2.gz BINHKZSYHQSRIB-XMMPIXPASA-N 1 0 418.578 2.663 40 0 HFABRO O=C(c1ccc(Cl)cc1)N1CC[C@](O)(C[NH2+]CCc2ccccc2Cl)[C@@H](O)C1 ZINC000585290725 559123391 /nfs/dbraw/zinc/12/33/91/559123391.db2.gz VRSCEFTULGFWFL-FPOVZHCZSA-N 1 0 423.340 2.764 40 0 HFABRO CCN1CC[C@]2(CN(c3ncccn3)CC23CC[NH+](Cc2ccsc2)CC3)C1=O ZINC000097952891 559125063 /nfs/dbraw/zinc/12/50/63/559125063.db2.gz ASBCKKULNFPWLK-QFIPXVFZSA-N 1 0 411.575 2.879 40 0 HFABRO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cccnc2N2CC[NH2+]CC2)cc1 ZINC000072216381 559169543 /nfs/dbraw/zinc/16/95/43/559169543.db2.gz TZFUQISIEZTIAW-FQEVSTJZSA-N 1 0 400.548 2.716 40 0 HFABRO CNc1nc([C@H]2CCCCN2S(=O)(=O)c2ccccc2Cl)nc2c1C[NH2+]CC2 ZINC000072372347 559182104 /nfs/dbraw/zinc/18/21/04/559182104.db2.gz DKNMCRZBDXYWAH-MRXNPFEDSA-N 1 0 421.954 2.733 40 0 HFABRO Cn1c[n+](C[C@@H](O)COc2ccc(I)cc2)c2ccccc21 ZINC000000889941 560542070 /nfs/dbraw/zinc/54/20/70/560542070.db2.gz XZOXNHHZUJKZKG-CQSZACIVSA-N 1 0 409.247 2.510 40 0 HFABRO C[N@@H+]1CC[C@H](COCc2ccccn2)CC12CN(C(=O)[C@@H]1Cc3ccccc3O1)C2 ZINC000575402645 560546755 /nfs/dbraw/zinc/54/67/55/560546755.db2.gz DQYXUVZISYLKKV-AVRDEDQJSA-N 1 0 407.514 2.525 40 0 HFABRO Cc1ccc2cc(CN(CC[NH+](C)C)C(=S)NC[C@@H]3CCCO3)c(=O)[nH]c2c1C ZINC000004133492 560600476 /nfs/dbraw/zinc/60/04/76/560600476.db2.gz RKSBCKJHWDGMTR-IBGZPJMESA-N 1 0 416.591 2.562 40 0 HFABRO CC[NH+](CC)CCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=S)NCCCOC ZINC000004133716 560600739 /nfs/dbraw/zinc/60/07/39/560600739.db2.gz NQEKZSVSOPKHEM-UHFFFAOYSA-N 1 0 418.607 2.891 40 0 HFABRO CC[NH+](CC)CCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=S)NCCCOC ZINC000004133734 560600775 /nfs/dbraw/zinc/60/07/75/560600775.db2.gz PVKWFVUCOPWVEV-UHFFFAOYSA-N 1 0 418.607 2.891 40 0 HFABRO COc1ccccc1/C=[N+]1\NC(=O)[C@@H](NC(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1 ZINC000409057376 560670510 /nfs/dbraw/zinc/67/05/10/560670510.db2.gz OZTBLRHWXUCXNN-NXTBZVMJSA-O 1 0 418.448 2.850 40 0 HFABRO Cc1ccc(NC(=[NH2+])NC2=N[C@@H](CC(=O)Nc3cccc4ccccc43)C(=O)N2)cc1 ZINC000009264794 560757716 /nfs/dbraw/zinc/75/77/16/560757716.db2.gz MIIGLIMSQZLDLQ-IBGZPJMESA-N 1 0 414.469 2.968 40 0 HFABRO Cc1ccc(Cl)cc1N(CC(=O)NCC[NH+](C)C)S(=O)(=O)c1ccccc1 ZINC000010111532 560779761 /nfs/dbraw/zinc/77/97/61/560779761.db2.gz HQJOVMFZCULSLT-UHFFFAOYSA-N 1 0 409.939 2.522 40 0 HFABRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)C1 ZINC000216445773 568465372 /nfs/dbraw/zinc/46/53/72/568465372.db2.gz UBOHBNUKLZNEIE-KDURUIRLSA-N 1 0 421.607 2.710 40 0 HFABRO Cc1cccc2c1NC(=O)[C@@]21[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000033923715 568525988 /nfs/dbraw/zinc/52/59/88/568525988.db2.gz QAJZBSFVLUGAKL-NWFVXXGESA-N 1 0 405.429 2.565 40 0 HFABRO COCCn1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c1C ZINC000223264775 568543331 /nfs/dbraw/zinc/54/33/31/568543331.db2.gz VFJXLLNQENDAOC-VQTJNVASSA-N 1 0 401.580 2.680 40 0 HFABRO C[NH+](C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1Cc1ccccn1 ZINC000223282217 568544007 /nfs/dbraw/zinc/54/40/07/568544007.db2.gz KPGPVCCEGKKEAP-RTWAWAEBSA-N 1 0 406.559 2.861 40 0 HFABRO COc1ccc(OC)c(S(=O)(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)c1 ZINC000223710209 568556935 /nfs/dbraw/zinc/55/69/35/568556935.db2.gz PNSYVUQWLKSPOP-UHFFFAOYSA-N 1 0 420.531 2.655 40 0 HFABRO Cc1ccc(S(=O)(=O)N(C)c2cc(C(=O)NC3CC[NH+](C)CC3)ccc2C)cc1 ZINC000224312850 568577609 /nfs/dbraw/zinc/57/76/09/568577609.db2.gz UZARYJAEGAMKNS-UHFFFAOYSA-N 1 0 415.559 2.953 40 0 HFABRO CCN(Cc1ccc(C(=O)NCCC[NH+](C)C)cc1)S(=O)(=O)c1ccccc1 ZINC000224449266 568581531 /nfs/dbraw/zinc/58/15/31/568581531.db2.gz QTUTYDHKHWAWRW-UHFFFAOYSA-N 1 0 403.548 2.579 40 0 HFABRO Cc1cc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)ccc1N(C)S(C)(=O)=O ZINC000224514109 568583260 /nfs/dbraw/zinc/58/32/60/568583260.db2.gz BAIDBYNUOMWOMZ-UHFFFAOYSA-N 1 0 415.559 2.917 40 0 HFABRO COC(=O)c1ccc(C)c(S(=O)(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000224516193 568583355 /nfs/dbraw/zinc/58/33/55/568583355.db2.gz UDGMYZUNFUDQPZ-UHFFFAOYSA-N 1 0 402.516 2.856 40 0 HFABRO CCS(=O)(=O)Nc1ccc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000224613695 568588028 /nfs/dbraw/zinc/58/80/28/568588028.db2.gz CVTCFDWFORQGHP-UHFFFAOYSA-N 1 0 401.532 2.974 40 0 HFABRO Cc1ccccc1N(CCCC(=O)NCCC[NH+]1CCC(C)CC1)S(C)(=O)=O ZINC000224672245 568591792 /nfs/dbraw/zinc/59/17/92/568591792.db2.gz AZLYKVIGNVQJKS-UHFFFAOYSA-N 1 0 409.596 2.779 40 0 HFABRO CS(=O)(=O)N(CC(=O)NCc1ccccc1C[NH+]1CCCC1)c1cccc(F)c1 ZINC000224770454 568596069 /nfs/dbraw/zinc/59/60/69/568596069.db2.gz GXKLQONIHFPREM-UHFFFAOYSA-N 1 0 419.522 2.504 40 0 HFABRO C[NH+](C)CCOc1ccc(NC(=O)C2(C)COC(c3ccccc3F)OC2)cn1 ZINC000225920430 568686231 /nfs/dbraw/zinc/68/62/31/568686231.db2.gz CFSSWXZTIHKUAL-UHFFFAOYSA-N 1 0 403.454 2.852 40 0 HFABRO Cc1ccnc(C[N@@H+]2CC[C@@]3(C2)COCc2cnc(NCC4CCOCC4)nc23)c1 ZINC000247924736 568746091 /nfs/dbraw/zinc/74/60/91/568746091.db2.gz OYTFHVVQSBUCNU-HSZRJFAPSA-N 1 0 409.534 2.692 40 0 HFABRO NC(=O)c1sc2ncccc2c1C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC000257208326 568778599 /nfs/dbraw/zinc/77/85/99/568778599.db2.gz BLSDKDCPBGIYOZ-UHFFFAOYSA-N 1 0 400.548 2.977 40 0 HFABRO Cc1nccn1[C@@H]1CCCC[C@@H](N(C)C(=O)c2cccc(OCC[NH+](C)C)c2)[C@H]1O ZINC000257225695 568783555 /nfs/dbraw/zinc/78/35/55/568783555.db2.gz FHJDOQHQGSQAGP-YPAWHYETSA-N 1 0 414.550 2.749 40 0 HFABRO Cc1ccc(=O)n(CC(=O)N2CC[C@H](c3cc(Nc4ccc(F)cn4)cc(C)[nH+]3)C2)n1 ZINC000257233150 568785521 /nfs/dbraw/zinc/78/55/21/568785521.db2.gz GOALKWLTLDHVFM-INIZCTEOSA-N 1 0 422.464 2.549 40 0 HFABRO CCc1nc(-c2cncnc2[C@H]2CC[N@H+](Cc3cc4c(cc3OC)OCCO4)C2)no1 ZINC000257234294 568786000 /nfs/dbraw/zinc/78/60/00/568786000.db2.gz GSWZACJZPSKANC-AWEZNQCLSA-N 1 0 423.473 2.858 40 0 HFABRO Cc1nccn1CC(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCCC2)CC1 ZINC000257258935 568792395 /nfs/dbraw/zinc/79/23/95/568792395.db2.gz KWDXEHMRQHHSHH-FIXSFTCYSA-N 1 0 410.562 2.645 40 0 HFABRO CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CCC[N@H+](CC2(O)CCOCC2)C1 ZINC000257266096 568794494 /nfs/dbraw/zinc/79/44/94/568794494.db2.gz MBNXVEUMZJUYAO-OAHLLOKOSA-N 1 0 403.548 2.719 40 0 HFABRO c1cc2ccncc2c(C[C@H]2COCC[N@H+](Cc3ccnc(N4CCOCC4)n3)C2)c1 ZINC000257318180 568809859 /nfs/dbraw/zinc/80/98/59/568809859.db2.gz VMUIODDEDWTGJT-LJQANCHMSA-N 1 0 419.529 2.553 40 0 HFABRO Cc1cc(C)n(CC(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCC[C@H]4[NH2+][C@@H]3Cc2ccccc2)c(=O)n1 ZINC000257342595 568816879 /nfs/dbraw/zinc/81/68/79/568816879.db2.gz ZPJRJUKEXTYSNP-YLYPHGCXSA-N 1 0 420.557 2.603 40 0 HFABRO CNc1cc(CN(C)C(=O)CN(C)Cc2ccc(F)cc2)nc([C@@H]2CCCC[NH2+]2)n1 ZINC000019709945 568838700 /nfs/dbraw/zinc/83/87/00/568838700.db2.gz QROSIUKPJARJOC-IBGZPJMESA-N 1 0 414.529 2.562 40 0 HFABRO COc1ccc(C[N@H+]2C[C@H]3Cc4nnc(C(=O)Nc5ccccc5)n4C[C@@H]3C2)cc1 ZINC000306126390 568889037 /nfs/dbraw/zinc/88/90/37/568889037.db2.gz DULWYHFBIJJQIS-MSOLQXFVSA-N 1 0 403.486 2.843 40 0 HFABRO Cn1cc(-c2cnc3ncn(C4CC[NH+](Cc5ccc6c(c5)OCO6)CC4)c3n2)cn1 ZINC000306128248 568891154 /nfs/dbraw/zinc/89/11/54/568891154.db2.gz GVEWLAKOJIPLCC-UHFFFAOYSA-N 1 0 417.473 2.793 40 0 HFABRO CC(C)n1cc(C[N@@H+]2CCC[C@@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)cn1 ZINC000306132811 568895162 /nfs/dbraw/zinc/89/51/62/568895162.db2.gz LSRCBYZWVBRSTF-LJQANCHMSA-N 1 0 409.538 2.723 40 0 HFABRO CC(C)C[NH+]1CCC2(CC1)c1nnc(C(=O)Nc3cccc(F)c3)n1CCN2C ZINC000306133543 568895642 /nfs/dbraw/zinc/89/56/42/568895642.db2.gz MPAYVLPEBMPHCV-UHFFFAOYSA-N 1 0 400.502 2.562 40 0 HFABRO COc1ccc(NC(=O)c2nnc3n2C[C@@H]2C[N@@H+](Cc4ccccc4F)C[C@@H]2C3)cc1 ZINC000306137695 568899529 /nfs/dbraw/zinc/89/95/29/568899529.db2.gz RDEALECEEPJTER-IRXDYDNUSA-N 1 0 421.476 2.982 40 0 HFABRO Cc1ncsc1C[N@H+]1C[C@H]2Cc3nnc(C(=O)Nc4cccc(F)c4)n3C[C@@H]2C1 ZINC000306140988 568902720 /nfs/dbraw/zinc/90/27/20/568902720.db2.gz VIIWNZRPFCRWKK-KGLIPLIRSA-N 1 0 412.494 2.739 40 0 HFABRO COc1ccccc1C[N@H+]1C[C@@H]2Cc3nnc(C(=O)Nc4cccc(F)c4)n3C[C@H]2C1 ZINC000306142823 568904558 /nfs/dbraw/zinc/90/45/58/568904558.db2.gz XLDHINRYTJVFGK-DLBZAZTESA-N 1 0 421.476 2.982 40 0 HFABRO O=S(=O)(c1cccc(F)c1)N1CCO[C@@]2(CCCC[C@H]2[NH2+]Cc2cccnc2)C1 ZINC000306143479 568904980 /nfs/dbraw/zinc/90/49/80/568904980.db2.gz YDCVOTFNQCKWLQ-RTWAWAEBSA-N 1 0 419.522 2.713 40 0 HFABRO COc1ccc(CN2CCO[C@@]3(C[N@H+](CC4CC4)C[C@H]3c3cccnc3)C2=O)cc1 ZINC000306144271 568905694 /nfs/dbraw/zinc/90/56/94/568905694.db2.gz ZAUYUNSRSGWILJ-LADGPHEKSA-N 1 0 407.514 2.697 40 0 HFABRO CC(C)(C)OC(=O)N[C@@]1(C[NH3+])[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218660146 568942691 /nfs/dbraw/zinc/94/26/91/568942691.db2.gz IMWMOEVGGCHCBX-LQWHRVPQSA-N 1 0 420.506 2.988 40 0 HFABRO O=C(NCc1ccc(F)cc1)[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2Cn1cc(-c2ccccn2)nn1 ZINC000008253984 568985492 /nfs/dbraw/zinc/98/54/92/568985492.db2.gz VUFFUXCBNWCDSU-SXLOBPIMSA-N 1 0 420.492 2.506 40 0 biogenic,in-vitro HFABRO C[NH+](C)CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=O)Nc1ccccc1 ZINC000004231302 569051774 /nfs/dbraw/zinc/05/17/74/569051774.db2.gz APGXSEZSPUHMSP-UHFFFAOYSA-N 1 0 408.458 2.853 40 0 HFABRO COc1cc(OC)c(NC(=O)N2CCN(c3cc(N(C)C)cn[nH+]3)CC2)cc1Cl ZINC000224311710 569057064 /nfs/dbraw/zinc/05/70/64/569057064.db2.gz OSKYBJDFWXWCPQ-UHFFFAOYSA-N 1 0 420.901 2.567 40 0 HFABRO CC1CCC([N@@H+]2CCc3nc([C@@H]4CCCN4C(=O)[C@H]4CCCO4)[nH]c(=O)c3C2)CC1 ZINC000248117976 569316322 /nfs/dbraw/zinc/31/63/22/569316322.db2.gz QJWVDGXNVSUGKR-ZGIUJUBFSA-N 1 0 414.550 2.962 40 0 HFABRO Cc1ccc([C@H](C)C(=O)N[C@@H](C)C(=O)N2Cc3ccccc3OC[C@H]2C[NH+](C)C)cc1 ZINC000248125906 569316359 /nfs/dbraw/zinc/31/63/59/569316359.db2.gz OSWNHAWWXIFIKW-CNNODRBYSA-N 1 0 423.557 2.955 40 0 HFABRO COc1cccc(C[N@@H+]2CCC[C@@H](c3nn(CCNC(C)=O)c4ncccc34)C2)c1 ZINC000012219516 569344736 /nfs/dbraw/zinc/34/47/36/569344736.db2.gz UNELSAQUORBMQU-LJQANCHMSA-N 1 0 407.518 2.956 40 0 HFABRO COc1ccc(C[N@@H+]2CCC[C@H](c3nn(CCNC(C)=O)c4ncccc34)C2)cc1 ZINC000012219511 569344780 /nfs/dbraw/zinc/34/47/80/569344780.db2.gz MMYJKOGRKBDAMY-IBGZPJMESA-N 1 0 407.518 2.956 40 0 HFABRO O=C(C[N@@H+]1CC[C@@H](c2ccccc2)C1)N1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000019369974 569345479 /nfs/dbraw/zinc/34/54/79/569345479.db2.gz BMZDMHVZCICRRQ-NHCUHLMSSA-N 1 0 420.557 2.775 40 0 HFABRO Cc1nc(C)c(C(=O)N2CCC[C@H]2CN2Cc3ccccc3OC[C@H]2C[NH+](C)C)o1 ZINC000019559320 569345718 /nfs/dbraw/zinc/34/57/18/569345718.db2.gz KEOUUBLMTHJZTJ-VQTJNVASSA-N 1 0 412.534 2.721 40 0 HFABRO CNc1cc(C[NH2+]C)nc([C@H]2CCCN2Cc2cc3c(cc2OC)OCCCO3)n1 ZINC000019760589 569429581 /nfs/dbraw/zinc/42/95/81/569429581.db2.gz YTGVXMHQFRXLFQ-QGZVFWFLSA-N 1 0 413.522 2.745 40 0 HFABRO O=S(=O)(NC[C@H]1C[C@@H]2CCN1C[C@@H]2C[NH+]1CCCCC1)c1ccc(Cl)cc1 ZINC000012602473 291229846 /nfs/dbraw/zinc/22/98/46/291229846.db2.gz GNIAYAYIFPSXGD-JENIJYKNSA-N 1 0 411.999 2.815 40 0 biogenic,in-vitro HFABRO O=C1CC[C@@H]([NH2+]Cc2cnc(N3CCCCC3)nc2)[C@H](c2cc(F)cc(F)c2)N1 ZINC000019291886 132466814 /nfs/dbraw/zinc/46/68/14/132466814.db2.gz FMDCBFGZTRQFJK-QUCCMNQESA-N 1 0 401.461 2.855 40 0 HFABRO COc1ccc([C@@H](CNC(=O)[C@@]2(C)Oc3ccccc3N(C)C2=O)[NH+]2CCCC2)cc1 ZINC000041070678 525185794 /nfs/dbraw/zinc/18/57/94/525185794.db2.gz KWTRRTCXKZIPAC-HYBUGGRVSA-N 1 0 423.513 2.762 40 0 HFABRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)C1 ZINC000044846233 525382590 /nfs/dbraw/zinc/38/25/90/525382590.db2.gz QEWJJMOPOPYCDC-OKILXGFUSA-N 1 0 401.960 2.809 40 0 HFABRO Cc1c(C[N@@H+]2CCC[C@H](c3nc(C)c4c(n3)N(CC3CC3)C(=O)CC4)C2)cnn1C ZINC000019741355 558262101 /nfs/dbraw/zinc/26/21/01/558262101.db2.gz JFRAGZQAGPMGHD-SFHVURJKSA-N 1 0 408.550 2.896 40 0 HFABRO Cc1nc([C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)ncc1C(=O)N1CCCCC1 ZINC000019765846 558278092 /nfs/dbraw/zinc/27/80/92/558278092.db2.gz RSIXLUONXHXPKO-HXUWFJFHSA-N 1 0 413.566 2.807 40 0 HFABRO Cc1cc2c(cc3c(=O)n(CC(=O)NCCC[NH+]4CCC(C)CC4)nc(C)n23)s1 ZINC000012115366 558327771 /nfs/dbraw/zinc/32/77/71/558327771.db2.gz WPNJHFWRLZGTRO-UHFFFAOYSA-N 1 0 415.563 2.566 40 0 HFABRO C[NH+](C)CCCNC(=O)CN1N=C(C(C)(C)C)Cn2c3ccsc3cc2C1=O ZINC000012145885 558337397 /nfs/dbraw/zinc/33/73/97/558337397.db2.gz YSGOVLUDYBQGJV-UHFFFAOYSA-N 1 0 403.552 2.629 40 0 HFABRO CCOc1nc(C)c(CC(=O)N2CCCC[C@H]2C[NH+]2CCCCC2)c(OCC)n1 ZINC000012275444 558363824 /nfs/dbraw/zinc/36/38/24/558363824.db2.gz YFPCLHMSBOURSH-SFHVURJKSA-N 1 0 404.555 2.992 40 0 HFABRO COc1cccc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(Cn2nc(C4CC4)ccc2=O)C3)c1F ZINC000012366359 558388277 /nfs/dbraw/zinc/38/82/77/558388277.db2.gz GMMHROXYEHBDIY-NHJWOMDBSA-N 1 0 413.493 2.827 40 0 HFABRO Cc1ccc(C(=O)NCCC[NH+]2CCC(C)CC2)cc1S(=O)(=O)N1CCCC1 ZINC000013668863 558560758 /nfs/dbraw/zinc/56/07/58/558560758.db2.gz RLEGUELLMBNRAX-UHFFFAOYSA-N 1 0 407.580 2.631 40 0 HFABRO Cc1ccc(Cl)cc1N([C@@H](C)C(=O)NCCC[NH+]1CCCCC1)S(C)(=O)=O ZINC000013669116 558560897 /nfs/dbraw/zinc/56/08/97/558560897.db2.gz JAYVRMIUBWPNTB-INIZCTEOSA-N 1 0 415.987 2.795 40 0 HFABRO Cc1c(Cl)cccc1N(CC(=O)NCCC[NH+]1CCC(C)CC1)S(C)(=O)=O ZINC000013670982 558562117 /nfs/dbraw/zinc/56/21/17/558562117.db2.gz BBIAZGRLFKIFII-UHFFFAOYSA-N 1 0 415.987 2.653 40 0 HFABRO C[C@@H](C(=O)NCCC[NH+](C)C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000013671722 558562818 /nfs/dbraw/zinc/56/28/18/558562818.db2.gz SFYUSEPDRZDGMD-KRWDZBQOSA-N 1 0 419.547 2.701 40 0 HFABRO Cc1ccccc1CN(c1ccc(C(=O)NCCC[NH+](C)C)cc1)S(C)(=O)=O ZINC000013676371 558564679 /nfs/dbraw/zinc/56/46/79/558564679.db2.gz YIESZWJJDXMHSF-UHFFFAOYSA-N 1 0 403.548 2.643 40 0 HFABRO Cc1ccc(Cl)cc1N([C@@H](C)C(=O)NCC[NH+]1CCCCCC1)S(C)(=O)=O ZINC000013680332 558566232 /nfs/dbraw/zinc/56/62/32/558566232.db2.gz CECALQSAXQXCLD-INIZCTEOSA-N 1 0 415.987 2.795 40 0 HFABRO Cc1ccccc1N(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)S(C)(=O)=O ZINC000024115450 558589887 /nfs/dbraw/zinc/58/98/87/558589887.db2.gz BDRZQRNUQQBXLG-UHFFFAOYSA-N 1 0 415.559 2.673 40 0 HFABRO COc1ccc(S(=O)(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1NC(C)=O ZINC000015336017 558734091 /nfs/dbraw/zinc/73/40/91/558734091.db2.gz CLMIAJRELUCZMR-UHFFFAOYSA-N 1 0 417.531 2.728 40 0 HFABRO CC(=O)Nc1ccc(N2C(=O)C[C@@H]([NH2+]CCc3c[nH]c4ccc(C)cc34)C2=O)cc1 ZINC000018088251 558830984 /nfs/dbraw/zinc/83/09/84/558830984.db2.gz MZVAEYZIOLYJRB-OAQYLSRUSA-N 1 0 404.470 2.899 40 0 HFABRO Cn1nc(-c2cccnc2)cc1C[NH+]1CCC(NC(=O)Cc2cccc(F)c2)CC1 ZINC000019288982 558861812 /nfs/dbraw/zinc/86/18/12/558861812.db2.gz XKCJQQIRFSZVGQ-UHFFFAOYSA-N 1 0 407.493 2.945 40 0 HFABRO Cn1cc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)C[N@@H+](C2CCCCC2)CC3)cn1 ZINC000019290560 558862981 /nfs/dbraw/zinc/86/29/81/558862981.db2.gz ZOOHBVNFLLHWQB-HXUWFJFHSA-N 1 0 424.549 2.562 40 0 HFABRO Cn1ccc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CC[N@@H+](C2CCCC2)C3)n1 ZINC000019290943 558863411 /nfs/dbraw/zinc/86/34/11/558863411.db2.gz VAOYEENCQDXJSD-LJQANCHMSA-N 1 0 410.522 2.584 40 0 HFABRO O=C(Cc1cccs1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)C[N@@H+](C2CCCC2)CC3)C1 ZINC000019343153 558872542 /nfs/dbraw/zinc/87/25/42/558872542.db2.gz LWHHCCGLNYDFID-OAHLLOKOSA-N 1 0 412.559 2.691 40 0 HFABRO O=C(Cc1ccccc1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](C2CCCC2)C3)C1 ZINC000019370110 558878210 /nfs/dbraw/zinc/87/82/10/558878210.db2.gz PGPNKPYMVIHMHI-SFHVURJKSA-N 1 0 406.530 2.629 40 0 HFABRO CC(C)NC(=O)[C@H]1C[N@H+](Cc2cccc(F)c2)C[C@@H]1c1ccnc(N2CCCC2)n1 ZINC000019450079 558888696 /nfs/dbraw/zinc/88/86/96/558888696.db2.gz DPDPWFZDPFVFGN-PMACEKPBSA-N 1 0 411.525 2.956 40 0 HFABRO C[C@@H]1CN(c2nccc(CN3CC[NH+](CCCc4ccccc4)CC3)n2)C[C@@H](C)O1 ZINC000019497708 558896372 /nfs/dbraw/zinc/89/63/72/558896372.db2.gz QUEBPCPPUMVFAT-NHCUHLMSSA-N 1 0 409.578 2.841 40 0 HFABRO COc1cc2c(cc1C[N@@H+]1C[C@@H](c3cccnc3)[C@]3(C1)CCCCC(=O)N3)OCCO2 ZINC000019550622 558915136 /nfs/dbraw/zinc/91/51/36/558915136.db2.gz QUILYHAVOQEMMI-YADARESESA-N 1 0 423.513 2.890 40 0 HFABRO COc1cc2c(cc1C[NH2+]CCc1cc(N(C)C)nc(-c3ccccn3)n1)OCCO2 ZINC000019584307 558938280 /nfs/dbraw/zinc/93/82/80/558938280.db2.gz VRRRDBORVALJIA-UHFFFAOYSA-N 1 0 421.501 2.717 40 0 HFABRO COCCNC(=O)c1cc([C@@H]2CCC[N@H+](Cc3ccc4cccc(OC)c4n3)C2)no1 ZINC000019593541 558944546 /nfs/dbraw/zinc/94/45/46/558944546.db2.gz RWOOXNZGDYCWCV-QGZVFWFLSA-N 1 0 424.501 2.987 40 0 HFABRO COc1cc(C[N@@H+]2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)ccc1OCC(N)=O ZINC000019658722 558950677 /nfs/dbraw/zinc/95/06/77/558950677.db2.gz RQNZPSPJEZZCJC-INIZCTEOSA-N 1 0 408.502 2.890 40 0 HFABRO CCn1nc([C@@H](C)C(=O)Nc2ccnn2C2CC[NH+](C)CC2)c2ccccc2c1=O ZINC000019660550 558951770 /nfs/dbraw/zinc/95/17/70/558951770.db2.gz RUJIBYDOQNQHFC-OAHLLOKOSA-N 1 0 408.506 2.622 40 0 HFABRO CNC(=O)c1ccc(-c2ccc(C3CCN(C(=O)[C@@H](C)[NH+]4CCCC4)CC3)nc2)cn1 ZINC000019689102 558958621 /nfs/dbraw/zinc/95/86/21/558958621.db2.gz XOJQXVJJAOHGEF-QGZVFWFLSA-N 1 0 421.545 2.694 40 0 HFABRO Cc1nc([C@@H]2CCCN2C(=O)C[NH+]2CCCC2)nc2c1CCCN2Cc1ccccn1 ZINC000072372878 558960690 /nfs/dbraw/zinc/96/06/90/558960690.db2.gz QNHNWWMLOSMTSC-NRFANRHFSA-N 1 0 420.561 2.892 40 0 HFABRO CCN(CC)S(=O)(=O)N1CCC[C@@H](c2cc(Nc3cnccn3)cc(C)[nH+]2)C1 ZINC000072374908 558963047 /nfs/dbraw/zinc/96/30/47/558963047.db2.gz OHBFUBPODDRWHA-MRXNPFEDSA-N 1 0 404.540 2.690 40 0 HFABRO O=C(c1ccccc1)N1CCC2(CC1)NC(=O)N(C1CC[NH+](C3CCCC3)CC1)C2=O ZINC000019699301 558966547 /nfs/dbraw/zinc/96/65/47/558966547.db2.gz OKJBBWLEEIQSLQ-UHFFFAOYSA-N 1 0 424.545 2.620 40 0 HFABRO COc1ccc(C[NH+]2CCC(CNC(=O)c3ccc4c(c3)n(C)c(=O)n4C)CC2)cc1 ZINC000072389588 558970004 /nfs/dbraw/zinc/97/00/04/558970004.db2.gz IWRWVHDHVKGNTG-UHFFFAOYSA-N 1 0 422.529 2.528 40 0 HFABRO CCn1cc(C[N@@H+]2C[C@H](NC(C)=O)[C@@H](c3cn(C)c4ccc(OC)cc34)C2)c(C)n1 ZINC000072395545 558974509 /nfs/dbraw/zinc/97/45/09/558974509.db2.gz RKISNZRLHIWQDO-YADHBBJMSA-N 1 0 409.534 2.816 40 0 HFABRO CCC(=O)N[C@H]1C[N@H+](Cc2cnn(C)c2C)C[C@@H]1c1cn(C)c2ccc(OC)cc12 ZINC000072395728 558974729 /nfs/dbraw/zinc/97/47/29/558974729.db2.gz UUWBQIVCXAWAOQ-RTWAWAEBSA-N 1 0 409.534 2.723 40 0 HFABRO O=C(CN1CCOCC1)N1CCC[C@@]2(CCC[N@H+]2Cc2cc(F)ccc2F)CC1 ZINC000585100384 559024043 /nfs/dbraw/zinc/02/40/43/559024043.db2.gz KRSNAWVJMXZRMB-JOCHJYFZSA-N 1 0 407.505 2.644 40 0 HFABRO Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)[C@@H]2C[N@H+](CC4CCCC4)C[C@@H]23)cc1F ZINC000585106146 559028451 /nfs/dbraw/zinc/02/84/51/559028451.db2.gz RPLMFMAAUKVWQU-UXHICEINSA-N 1 0 413.537 2.977 40 0 HFABRO Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)[C@@H]2C[N@H+](Cc4ccccc4)C[C@@H]23)s1 ZINC000585106270 559028666 /nfs/dbraw/zinc/02/86/66/559028666.db2.gz KGPQDSNXBICELK-MOPGFXCFSA-N 1 0 409.555 2.909 40 0 HFABRO Cc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)NCc3cc(F)cc(F)c3)C2)[nH]n1 ZINC000585109171 559030286 /nfs/dbraw/zinc/03/02/86/559030286.db2.gz CHDVPRGLRIXNBM-YSGRDPCXSA-N 1 0 404.461 2.540 40 0 HFABRO CCCN1CCN(C(=O)C[NH3+])C[C@@H](Cc2ccccc2-c2ccccc2OC)C1=O ZINC000585183642 559070478 /nfs/dbraw/zinc/07/04/78/559070478.db2.gz XSQFSMUGUXGPCX-LJQANCHMSA-N 1 0 409.530 2.560 40 0 HFABRO CCOC(=O)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@H+](Cc1ccc(OC)cc1)CCC2 ZINC000096056060 559093736 /nfs/dbraw/zinc/09/37/36/559093736.db2.gz BOAOOTGRAUQMIR-CVDCTZTESA-N 1 0 410.518 2.767 40 0 HFABRO Cn1cccc1C(=O)N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC000096079497 559094731 /nfs/dbraw/zinc/09/47/31/559094731.db2.gz DSTAYZFUVFRKGA-IBGZPJMESA-N 1 0 422.573 2.754 40 0 HFABRO O=C(c1cccc(Cl)c1)N1CCC2(CC1)NC(=O)[C@H]1C[N@H+](Cc3cccnc3)C[C@H]12 ZINC000096143527 559096018 /nfs/dbraw/zinc/09/60/18/559096018.db2.gz YEOBKKCNVFSGFW-VQTJNVASSA-N 1 0 424.932 2.588 40 0 HFABRO C[NH+](C)[C@@H]1CCN(C(=O)c2cc(-c3cnc(N4CCCC4)nc3)cn2CC2CC2)C1 ZINC000096147686 559098649 /nfs/dbraw/zinc/09/86/49/559098649.db2.gz GWPLMDKENZFCGB-HXUWFJFHSA-N 1 0 408.550 2.731 40 0 HFABRO CN(C)S(=O)(=O)N1CCC2(CC1)C[N@H+](Cc1cccs1)Cc1ccccc12 ZINC000096242497 559104075 /nfs/dbraw/zinc/10/40/75/559104075.db2.gz FXDZPVGEYRZZAV-UHFFFAOYSA-N 1 0 405.589 2.904 40 0 HFABRO CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCN1Cc1cccc(Oc2ncccn2)c1 ZINC000585261940 559109591 /nfs/dbraw/zinc/10/95/91/559109591.db2.gz BOPFAIDIYJNHQO-JOCHJYFZSA-N 1 0 417.513 2.701 40 0 HFABRO CCCc1cnc(Nc2cccc(C3CCN(C(=O)[C@@H]([NH3+])[C@@H](C)O)CC3)n2)s1 ZINC000585263082 559111864 /nfs/dbraw/zinc/11/18/64/559111864.db2.gz JHEBHTXZJOUGEW-ACJLOTCBSA-N 1 0 403.552 2.648 40 0 HFABRO CCOCCOc1ccc(C[N@H+](C)C[C@@]2(O)CCN(c3ccc(F)cn3)C2)cc1 ZINC000585269692 559116035 /nfs/dbraw/zinc/11/60/35/559116035.db2.gz HWZMNVLVSHDNMP-QFIPXVFZSA-N 1 0 403.498 2.709 40 0 HFABRO COCC(=O)N1CC[N@@H+](C2CCC(C)(C)CC2)C[C@](O)(COc2cccc(F)c2)C1 ZINC000585281979 559119731 /nfs/dbraw/zinc/11/97/31/559119731.db2.gz DLZXLKNSIPHYBC-HSZRJFAPSA-N 1 0 422.541 2.695 40 0 HFABRO COCC(=O)N1CC[N@@H+](C2CCCCCC2)C[C@](O)(COc2ccc(C)c(C)c2)C1 ZINC000585282698 559120214 /nfs/dbraw/zinc/12/02/14/559120214.db2.gz NACRVPLXGFPNKQ-XMMPIXPASA-N 1 0 418.578 2.927 40 0 HFABRO CC(=O)OCC1(CC(=O)N2CCOCC2)CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000585294154 559127022 /nfs/dbraw/zinc/12/70/22/559127022.db2.gz RLEMLMWNMBXXND-UHFFFAOYSA-N 1 0 413.518 2.562 40 0 HFABRO COc1ccc(NC(=O)c2ccc3nnc([C@@H]4C[N@H+](CC5CC5)CCN4C)n3c2)cc1 ZINC000107281431 559164992 /nfs/dbraw/zinc/16/49/92/559164992.db2.gz UUCYYERMMOAHRJ-FQEVSTJZSA-N 1 0 420.517 2.689 40 0 HFABRO CNc1nc([C@@H]2CCCCN2S(=O)(=O)c2ccccc2Cl)nc2c1C[NH2+]CC2 ZINC000072372346 559182054 /nfs/dbraw/zinc/18/20/54/559182054.db2.gz DKNMCRZBDXYWAH-INIZCTEOSA-N 1 0 421.954 2.733 40 0 HFABRO O=C(NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCC(O)CC2)CC1)c1ccncc1 ZINC000257312375 559282929 /nfs/dbraw/zinc/28/29/29/559282929.db2.gz UNQFDKUSSVAMLV-LSQMVHIFSA-N 1 0 423.557 2.510 40 0 HFABRO Cc1cccc(C(=O)NC[C@]2(c3ccccc3)CC[C@@H](O)[C@H]([NH+]3CCOCC3)CC2)n1 ZINC000257325509 559283235 /nfs/dbraw/zinc/28/32/35/559283235.db2.gz WTFIQBKWSOSMMZ-VDKIKQQVSA-N 1 0 423.557 2.694 40 0 HFABRO CN1CC[NH+]([C@H]2CC[C@](CNC(=O)C3CCCC3)(c3ccccc3)CC[C@@H]2O)CC1 ZINC000257273221 559285219 /nfs/dbraw/zinc/28/52/19/559285219.db2.gz NFSUMQJDLNLAHY-LSQMVHIFSA-N 1 0 413.606 2.782 40 0 HFABRO O[C@@]1(CN2CCN(c3ccccc3)CC2)CC[N@H+](Cc2ccc(OCCF)cc2)C1 ZINC000257310764 559286165 /nfs/dbraw/zinc/28/61/65/559286165.db2.gz UGLFTBVNKQKYPE-XMMPIXPASA-N 1 0 413.537 2.794 40 0 HFABRO CCCS(=O)(=O)NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2c1cc(-c2cccs2)nn1C ZINC000008635432 560210248 /nfs/dbraw/zinc/21/02/48/560210248.db2.gz QFFFBHXOVKVJLR-XHSDSOJGSA-N 1 0 408.593 2.656 40 0 biogenic,in-vitro HFABRO Cc1ccc2cc(CN(C[C@H]3CCCO3)C(=S)NCCC[NH+](C)C)c(=O)[nH]c2c1 ZINC000004131680 560599740 /nfs/dbraw/zinc/59/97/40/560599740.db2.gz MLLHQODDWBGQQB-LJQANCHMSA-N 1 0 416.591 2.644 40 0 HFABRO Cc1cc(C)c2cc(CN(CC[NH+](C)C)C(=S)NC[C@@H]3CCCO3)c(=O)[nH]c2c1 ZINC000004133528 560600666 /nfs/dbraw/zinc/60/06/66/560600666.db2.gz MHJGWLLQMSDNJY-SFHVURJKSA-N 1 0 416.591 2.562 40 0 HFABRO COCCCNC(=S)N(CCC[NH+](C)C)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000004162014 560602137 /nfs/dbraw/zinc/60/21/37/560602137.db2.gz BOVUHFGEFUWHIU-UHFFFAOYSA-N 1 0 418.607 2.810 40 0 HFABRO COc1ccccc1/C=[N+]1\NC(=O)[C@@H](NC(=O)c2ccc(F)cc2)[C@H]1c1ccccc1 ZINC000409056874 560670371 /nfs/dbraw/zinc/67/03/71/560670371.db2.gz OZTBLRHWXUCXNN-DCFWFYTKSA-O 1 0 418.448 2.850 40 0 HFABRO COc1cccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(F)cc3)[C@H]2c2ccccc2)c1 ZINC000409061817 560671744 /nfs/dbraw/zinc/67/17/44/560671744.db2.gz IPUCBDUTCOMXAY-KSYIGNPDSA-O 1 0 418.448 2.850 40 0 HFABRO COc1cccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2)c1 ZINC000409061818 560671761 /nfs/dbraw/zinc/67/17/61/560671761.db2.gz IPUCBDUTCOMXAY-NXTBZVMJSA-O 1 0 418.448 2.850 40 0 HFABRO COc1ccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1OC ZINC000006287992 560740975 /nfs/dbraw/zinc/74/09/75/560740975.db2.gz SLPHLYFQLSFGFH-UHFFFAOYSA-N 1 0 414.531 2.582 40 0 HFABRO Cc1ccc(Cl)cc1N(CCCC(=O)NCCC[NH+]1CCCC1)S(C)(=O)=O ZINC000010450177 560769739 /nfs/dbraw/zinc/76/97/39/560769739.db2.gz VYMKFJFVRUFVEA-UHFFFAOYSA-N 1 0 415.987 2.797 40 0 HFABRO CC[NH+]1CCN([C@@H](c2nnnn2C2CCCC2)c2cc3cccc(C)c3[nH]c2=O)CC1 ZINC000019527975 560874685 /nfs/dbraw/zinc/87/46/85/560874685.db2.gz GYNKSOKQYPZRBI-OAQYLSRUSA-N 1 0 421.549 2.665 40 0 HFABRO CCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@@H]1C[NH+](C)C ZINC000057773602 568497671 /nfs/dbraw/zinc/49/76/71/568497671.db2.gz PHWFXJBBPYKLBM-VXKWHMMOSA-N 1 0 423.557 2.865 40 0 HFABRO CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cc[nH+]cc1 ZINC000223642915 568554601 /nfs/dbraw/zinc/55/46/01/568554601.db2.gz JXKGTQCIMWXDHI-UXHICEINSA-N 1 0 407.499 2.803 40 0 HFABRO Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCN(C)CC3)cc2C)cc1 ZINC000224209881 568573792 /nfs/dbraw/zinc/57/37/92/568573792.db2.gz BQUFZAPANSYZHQ-UHFFFAOYSA-N 1 0 401.532 2.516 40 0 HFABRO CCS(=O)(=O)Nc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000224778232 568596386 /nfs/dbraw/zinc/59/63/86/568596386.db2.gz PSSVHNGPFDVXPR-UHFFFAOYSA-N 1 0 401.532 2.974 40 0 HFABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000225570017 568652361 /nfs/dbraw/zinc/65/23/61/568652361.db2.gz XFZCANLSSNBKBY-IBGZPJMESA-N 1 0 407.580 2.856 40 0 HFABRO Cc1ccccc1N(CCCC(=O)NCCC[NH+]1CCCCCC1)S(C)(=O)=O ZINC000225653520 568660250 /nfs/dbraw/zinc/66/02/50/568660250.db2.gz WFPXXBQDXKIPLO-UHFFFAOYSA-N 1 0 409.596 2.924 40 0 HFABRO C[C@@H]1CN(C(=O)c2ccc3nnc([C@H]4CC[N@H+](Cc5ccccc5)C4)n3c2)C[C@@H](C)O1 ZINC000253603171 568755097 /nfs/dbraw/zinc/75/50/97/568755097.db2.gz JHWLUCMKLCBTBB-GGPKGHCWSA-N 1 0 419.529 2.968 40 0 HFABRO Cc1nc([C@H]2CC[N@H+](Cc3ccc4c(c3)OCCO4)C2)nc(C)c1CC(=O)NC(C)C ZINC000257225831 568783774 /nfs/dbraw/zinc/78/37/74/568783774.db2.gz FIBLLUPFSPZSIE-IBGZPJMESA-N 1 0 424.545 2.921 40 0 HFABRO CCN(CC)S(=O)(=O)N1CCC(c2cc(Nc3cnccn3)cc(C)[nH+]2)CC1 ZINC000257241831 568788061 /nfs/dbraw/zinc/78/80/61/568788061.db2.gz HZTZSROXELXXLI-UHFFFAOYSA-N 1 0 404.540 2.690 40 0 HFABRO CN(C)C(=O)c1sc2ncccc2c1[C@H]1CCC[N@H+](CC2(O)CCOCC2)C1 ZINC000257266095 568794474 /nfs/dbraw/zinc/79/44/74/568794474.db2.gz MBNXVEUMZJUYAO-HNNXBMFYSA-N 1 0 403.548 2.719 40 0 HFABRO COc1cc2c(cc1C[N@@H+]1CCC[C@H](c3n[nH]cc3C(=O)N3CCOCC3)C1)CCC2 ZINC000257293817 568802729 /nfs/dbraw/zinc/80/27/29/568802729.db2.gz QRHIYUWBWZWYHJ-IBGZPJMESA-N 1 0 424.545 2.759 40 0 HFABRO N[C@]1(C[NH3+])[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218239543 568836765 /nfs/dbraw/zinc/83/67/65/568836765.db2.gz YQGKHYDGFHBWRW-OWCLPIDISA-N 1 0 415.740 2.698 40 0 HFABRO COc1ccc(C[N@H+]2C[C@@H]3Cc4nnc(C(=O)Nc5ccccc5)n4C[C@H]3C2)cc1 ZINC000306126393 568889104 /nfs/dbraw/zinc/88/91/04/568889104.db2.gz DULWYHFBIJJQIS-ZWKOTPCHSA-N 1 0 403.486 2.843 40 0 HFABRO COc1ccccc1C[N@H+]1C[C@H]2Cc3nnc(C(=O)NCc4ccccc4)n3C[C@@H]2C1 ZINC000306126705 568889608 /nfs/dbraw/zinc/88/96/08/568889608.db2.gz FCTAFGHCCDETEJ-UXHICEINSA-N 1 0 417.513 2.521 40 0 HFABRO Cc1c(F)cccc1C[N@H+]1C[C@@H]2c3nc(=O)c(C(=O)NC4CCCCC4)cn3C[C@@H]2C1 ZINC000306128140 568890876 /nfs/dbraw/zinc/89/08/76/568890876.db2.gz GRHQVUGYRHNTSR-HKUYNNGSSA-N 1 0 424.520 2.983 40 0 HFABRO CN1CC2(CC[NH+](Cc3ccccc3F)CC2)n2cncc2[C@@H]1C(=O)NC1CCC1 ZINC000306129050 568891630 /nfs/dbraw/zinc/89/16/30/568891630.db2.gz HSOSNNARVGWSMU-OAQYLSRUSA-N 1 0 411.525 2.669 40 0 HFABRO Cc1cccc(C[N@H+]2C[C@@H]3Cc4nnc(C(=O)NCc5ccccc5)n4C[C@H]3C2)c1 ZINC000306136185 568897927 /nfs/dbraw/zinc/89/79/27/568897927.db2.gz PLVQYDDXDFIEAJ-LEWJYISDSA-N 1 0 401.514 2.821 40 0 HFABRO Cc1ccc(C(=O)N2CCc3nc4n(c(=O)c3C2)CC[C@@]42CC[N@H+](CC3CC3)C2)s1 ZINC000306137593 568899635 /nfs/dbraw/zinc/89/96/35/568899635.db2.gz RASWIGDUGUQCRL-HSZRJFAPSA-N 1 0 424.570 2.569 40 0 HFABRO Cn1nccc1[C@@H]1C[N@H+](Cc2nccs2)C[C@]12CCCN(Cc1ccncc1)C2=O ZINC000306138527 568900470 /nfs/dbraw/zinc/90/04/70/568900470.db2.gz RZTSBTDMWXUTBB-PGRDOPGGSA-N 1 0 422.558 2.680 40 0 HFABRO COc1cccc(C[N@H+]2C[C@@H]3Cc4nnc(C(=O)Nc5ccccc5)n4C[C@@H]3C2)c1 ZINC000306142008 568903437 /nfs/dbraw/zinc/90/34/37/568903437.db2.gz WMQCXBBSUCTVOW-ROUUACIJSA-N 1 0 403.486 2.843 40 0 HFABRO CC(C)(C)CNC(=O)c1[nH]nc2c1COC[C@]21CC[N@H+](Cc2ccc(F)cc2)C1 ZINC000306143941 568905082 /nfs/dbraw/zinc/90/50/82/568905082.db2.gz YRISHPHMVOMOGJ-JOCHJYFZSA-N 1 0 400.498 2.999 40 0 HFABRO COc1ccc(C[N@@H+]2C[C@H](c3cccnc3)[C@]3(C2)OCCN(CC2CC2)C3=O)cc1 ZINC000306144174 568905599 /nfs/dbraw/zinc/90/55/99/568905599.db2.gz YXZUJLWGJQNHFF-VWNXMTODSA-N 1 0 407.514 2.697 40 0 HFABRO O=S(=O)(c1cccc(F)c1)N1CCC2(C[C@@H](C[NH+]3CCC(F)(F)CC3)O2)CC1 ZINC000306144598 568906017 /nfs/dbraw/zinc/90/60/17/568906017.db2.gz ZJUYLFJEABONQL-INIZCTEOSA-N 1 0 418.481 2.869 40 0 HFABRO CCOC(=O)[C@@]1(C[NH3+])[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218655170 568908647 /nfs/dbraw/zinc/90/86/47/568908647.db2.gz VYIBRQWTSZPVGD-AOIWGVFYSA-N 1 0 411.882 2.927 40 0 HFABRO CC(C)(C)OC(=O)N[C@]1(C[NH3+])[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218660208 568942807 /nfs/dbraw/zinc/94/28/07/568942807.db2.gz IMWMOEVGGCHCBX-LVCYWYKZSA-N 1 0 420.506 2.988 40 0 HFABRO COc1cc(Nc2cc(-c3ccncc3)nc(NCCC[NH+](C)C)n2)cc(OC)c1 ZINC000329017926 568972897 /nfs/dbraw/zinc/97/28/97/568972897.db2.gz NNUXGTNTDMOXOY-UHFFFAOYSA-N 1 0 408.506 2.507 40 0 HFABRO C[NH+](C)CCNc1nc(Nc2ccc(Br)cc2F)cc(C(F)(F)F)n1 ZINC000329017444 568972929 /nfs/dbraw/zinc/97/29/29/568972929.db2.gz NMCZWLHKQVLLQE-UHFFFAOYSA-N 1 0 422.224 2.958 40 0 HFABRO O=C1Nc2ccc(Cl)cc2[C@@]12[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]1[C@@H]1CCCN12 ZINC000015989721 569025326 /nfs/dbraw/zinc/02/53/26/569025326.db2.gz NHCQRBNPGXRMQS-KEXUJGGDSA-N 1 0 421.884 2.767 40 0 HFABRO COc1ncc([C@]2(O)CCC[C@@H]3C[N@H+](Cc4cc(F)cc(F)c4)C[C@H]32)c(OC)n1 ZINC000247878552 569315545 /nfs/dbraw/zinc/31/55/45/569315545.db2.gz PBTAOUAWCZBFLG-CFCCAZDESA-N 1 0 405.445 2.892 40 0 HFABRO COc1ncc([C@]2(O)CCC[C@@H]3C[N@H+](Cc4ccc(F)cc4F)C[C@H]32)c(OC)n1 ZINC000247887590 569315695 /nfs/dbraw/zinc/31/56/95/569315695.db2.gz SFHFTUGTFJFNDS-QKAVXHIFSA-N 1 0 405.445 2.892 40 0 HFABRO Cc1nc(C)c(C(=O)N2CCC[C@@H]2CN2Cc3ccccc3OC[C@H]2C[NH+](C)C)o1 ZINC000248111237 569316222 /nfs/dbraw/zinc/31/62/22/569316222.db2.gz KEOUUBLMTHJZTJ-WOJBJXKFSA-N 1 0 412.534 2.721 40 0 HFABRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cn(CC(=O)NC[C@H]2CCCO2)c2ccccc12 ZINC000249703412 569316907 /nfs/dbraw/zinc/31/69/07/569316907.db2.gz ZTQDARNKWLARFX-HMXCVIKNSA-N 1 0 410.562 2.605 40 0 HFABRO CNC(=O)c1sc2ccccc2c1[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CCO1 ZINC000019697651 569346872 /nfs/dbraw/zinc/34/68/72/569346872.db2.gz DNCHQEQZRQMSLM-QGZVFWFLSA-N 1 0 415.559 2.893 40 0 HFABRO CCC[NH+]1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)CCC3CCCC3)C1)C2=O ZINC000019700027 569347148 /nfs/dbraw/zinc/34/71/48/569347148.db2.gz DVMQMWNOZYZMJX-LJQANCHMSA-N 1 0 418.582 2.744 40 0 HFABRO CCN1CN(c2ccccc2)C2(CC[NH+](C[C@@H]3COc4ccccc4O3)CC2)C1=O ZINC000073298102 569385491 /nfs/dbraw/zinc/38/54/91/569385491.db2.gz RCKWQESNRPYDDB-HXUWFJFHSA-N 1 0 407.514 2.987 40 0 HFABRO N[C@]1(C[NH3+])[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Br)cc1 ZINC000252516996 569388103 /nfs/dbraw/zinc/38/81/03/569388103.db2.gz YQGKHYDGFHBWRW-OAGGEKHMSA-N 1 0 415.740 2.698 40 0 HFABRO CC[C@H]1CN(C(=O)C(C)(C)C)CC[C@H]1CC(=O)N(CC)C(=O)NCCC[NH+](C)C ZINC000008295959 291219778 /nfs/dbraw/zinc/21/97/78/291219778.db2.gz GQINNDXFQILWCT-ROUUACIJSA-N 1 0 410.603 2.807 40 0 biogenic,in-vitro HFABRO CN1CCN(Cc2nc(C3(O)CC[NH+](C4CCC(F)(F)CC4)CC3)cs2)CC1 ZINC000225424990 291220729 /nfs/dbraw/zinc/22/07/29/291220729.db2.gz GQISAKMIHTXPCC-UHFFFAOYSA-N 1 0 414.566 2.752 40 0 biogenic,in-vitro HFABRO OC1(c2csc(CN3CCN(c4ccccn4)CC3)n2)CC[NH+](C2CCC2)CC1 ZINC000225476815 291230316 /nfs/dbraw/zinc/23/03/16/291230316.db2.gz ARSJNVDBYYOMEH-UHFFFAOYSA-N 1 0 413.591 2.696 40 0 biogenic,in-vitro HFABRO CS(=O)(=O)N1CCCc2cc([C@H](O)C[NH+]3CCC(c4ccncc4)CC3)ccc21 ZINC000012291478 132357992 /nfs/dbraw/zinc/35/79/92/132357992.db2.gz UAKAUIYEYVGLEP-JOCHJYFZSA-N 1 0 415.559 2.707 40 0 HFABRO Cc1nc2ncnn2c(C)c1CCC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000007448632 527204301 /nfs/dbraw/zinc/20/43/01/527204301.db2.gz ZUAIVKMELVVKOU-UHFFFAOYSA-N 1 0 406.534 2.976 40 0 HFABRO CCCCN1C(=O)[C@H]2[C@@H](CC(C)C)[NH2+][C@@]3(C(=O)Nc4c3cccc4Cl)[C@@H]2C1=O ZINC000008995016 557818074 /nfs/dbraw/zinc/81/80/74/557818074.db2.gz YVBFETMUQGQIFV-FAPUVCABSA-N 1 0 403.910 2.907 40 0 HFABRO C[NH+](C)CCCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000010111416 557855245 /nfs/dbraw/zinc/85/52/45/557855245.db2.gz YSESLRBHIIYCLV-UHFFFAOYSA-N 1 0 409.939 2.603 40 0 HFABRO Cn1cc(C(=O)NCc2ccccc2)c(CC2CC[NH+](Cc3ccnn3C)CC2)n1 ZINC000019757087 558274746 /nfs/dbraw/zinc/27/47/46/558274746.db2.gz NPBWQGAQCDOXGB-UHFFFAOYSA-N 1 0 406.534 2.538 40 0 HFABRO CC(C)n1c2ccc(S(=O)(=O)N3CCC[C@@H](C[NH+]4CCCC4)C3)cc2oc1=O ZINC000012220615 558355680 /nfs/dbraw/zinc/35/56/80/558355680.db2.gz LETSSVBAIUARKK-INIZCTEOSA-N 1 0 407.536 2.672 40 0 HFABRO O[C@@H](C[NH+]1CCC2(CC1)C[C@@H](O)c1cc(F)ccc1O2)c1ccc2c(c1)OCCO2 ZINC000012293395 558366505 /nfs/dbraw/zinc/36/65/05/558366505.db2.gz INNDAAZLJNCFMP-MOPGFXCFSA-N 1 0 415.461 2.981 40 0 HFABRO CCOc1ccc(Br)cc1C[NH2+]CCc1ccc(S(N)(=O)=O)cc1 ZINC000022074619 558462387 /nfs/dbraw/zinc/46/23/87/558462387.db2.gz SZKAKVRRNZZSKB-UHFFFAOYSA-N 1 0 413.337 2.828 40 0 HFABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+](C)C)c2cccc(Cl)c2)cc1 ZINC000013612108 558548725 /nfs/dbraw/zinc/54/87/25/558548725.db2.gz YVYJHFXDMWWPPN-UHFFFAOYSA-N 1 0 423.966 2.912 40 0 HFABRO Cc1ccc(C(=O)NCCC[NH+]2CCCC2)cc1S(=O)(=O)N1CCCCCC1 ZINC000013613605 558549221 /nfs/dbraw/zinc/54/92/21/558549221.db2.gz ZMRHNAKKNPXAMM-UHFFFAOYSA-N 1 0 407.580 2.775 40 0 HFABRO Cc1cc(C)cc(N([C@@H](C)C(=O)NCCC[NH+]2CCCCCC2)S(C)(=O)=O)c1 ZINC000013648876 558557684 /nfs/dbraw/zinc/55/76/84/558557684.db2.gz LAGJSDNBDDZQAG-IBGZPJMESA-N 1 0 409.596 2.840 40 0 HFABRO C[NH+](C)CCCNC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 ZINC000013669580 558561154 /nfs/dbraw/zinc/56/11/54/558561154.db2.gz BFJMMXIQQCRTGX-UHFFFAOYSA-N 1 0 409.939 2.603 40 0 HFABRO C[C@@H](C(=O)NCCC[NH+]1CCCC1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000013671205 558562526 /nfs/dbraw/zinc/56/25/26/558562526.db2.gz SVHBYEBBFPWKLZ-ZDUSSCGKSA-N 1 0 422.378 2.750 40 0 HFABRO C[C@H](C(=O)NCCC[NH+](C)C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000013671720 558562774 /nfs/dbraw/zinc/56/27/74/558562774.db2.gz SFYUSEPDRZDGMD-QGZVFWFLSA-N 1 0 419.547 2.701 40 0 HFABRO COc1ccc(OC)c([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)c2ccn[nH]2)c1 ZINC000036743738 558802455 /nfs/dbraw/zinc/80/24/55/558802455.db2.gz BXDPHQYWVFUWCF-PZJWPPBQSA-N 1 0 406.486 2.825 40 0 HFABRO C[C@@H](Oc1ccc(-n2cnnn2)cc1)C(=O)N1CCCC[C@@H]1C[NH+]1CCCCCC1 ZINC000019078962 558838672 /nfs/dbraw/zinc/83/86/72/558838672.db2.gz CSAWKFPALPJYNT-UYAOXDASSA-N 1 0 412.538 2.687 40 0 HFABRO Cc1cnn(CCC(=O)NC2CC[NH+](Cc3cc(-c4ccc(F)cc4)nn3C)CC2)c1 ZINC000019240017 558858625 /nfs/dbraw/zinc/85/86/25/558858625.db2.gz NYRPHWRVVNEBFS-UHFFFAOYSA-N 1 0 424.524 2.902 40 0 HFABRO CC(C)[N@@H+]1CCc2nc([C@H]3CCCCN3C(=O)c3cc(C4CC4)n[nH]3)[nH]c(=O)c2C1 ZINC000019448161 558887093 /nfs/dbraw/zinc/88/70/93/558887093.db2.gz XILVVMCYXRTGML-LJQANCHMSA-N 1 0 410.522 2.504 40 0 HFABRO COCCC(=O)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](C1CCC(C)CC1)CC2 ZINC000019495992 558894823 /nfs/dbraw/zinc/89/48/23/558894823.db2.gz XWBXVDUUAXURJC-RJYAGPCLSA-N 1 0 402.539 2.819 40 0 HFABRO Cc1nc2ccccn2c1C[NH+]1CCC(c2cc(C(=O)N3CCC[C@@H](O)C3)on2)CC1 ZINC000019554924 558917907 /nfs/dbraw/zinc/91/79/07/558917907.db2.gz MOYYGRVEOGECSS-GOSISDBHSA-N 1 0 423.517 2.607 40 0 HFABRO COc1cc(C)c(C[N@H+]2C[C@@H]3CC[C@@](O)(c4cnc(OC)nc4OC)[C@@H]3C2)cc1C ZINC000019567390 558926847 /nfs/dbraw/zinc/92/68/47/558926847.db2.gz VAEDQOSKALUFCO-XKDCRVNJSA-N 1 0 413.518 2.849 40 0 HFABRO Cc1cc(Nc2ccccn2)cc([C@@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)[nH+]1 ZINC000072375053 558963260 /nfs/dbraw/zinc/96/32/60/558963260.db2.gz HGTVOVBNJRDSFH-MRXNPFEDSA-N 1 0 412.519 2.830 40 0 HFABRO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCC[NH+]3CCCCCC3)C2)cc1 ZINC000064693352 558965146 /nfs/dbraw/zinc/96/51/46/558965146.db2.gz WCSMNMBKUWMPNY-HXUWFJFHSA-N 1 0 421.607 2.778 40 0 HFABRO CNc1nc([C@H]2CCC[N@H+](C)C2)nc2c1CCN(C(=O)Cc1c[nH]c3ccccc13)C2 ZINC000019708837 558971462 /nfs/dbraw/zinc/97/14/62/558971462.db2.gz IFWGITACCLTFAW-INIZCTEOSA-N 1 0 418.545 2.936 40 0 HFABRO CCCO[C@@H]1CCCN(c2nc(C3CC[NH+](C)CC3)nc3c2CN(C(C)=O)CC3)C1 ZINC000019710497 558972675 /nfs/dbraw/zinc/97/26/75/558972675.db2.gz KSLCRDDJGUAOOJ-LJQANCHMSA-N 1 0 415.582 2.586 40 0 HFABRO CNc1nc(C2CC[NH+](C)CC2)nc2c1CCN(C(=O)CCc1ccc(OC)cc1)C2 ZINC000019710675 558972963 /nfs/dbraw/zinc/97/29/63/558972963.db2.gz LEPUBIRREXKVIT-UHFFFAOYSA-N 1 0 423.561 2.854 40 0 HFABRO C/C=C/C(=O)N[C@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@H]1C[NH+](C)C ZINC000072394978 558973766 /nfs/dbraw/zinc/97/37/66/558973766.db2.gz KJUIWUVGRYUJJQ-QEFCJMDMSA-N 1 0 421.541 2.641 40 0 HFABRO C/C=C/C(=O)N[C@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@@H]1C[NH+](C)C ZINC000072394976 558973799 /nfs/dbraw/zinc/97/37/99/558973799.db2.gz KJUIWUVGRYUJJQ-DQHUOFNISA-N 1 0 421.541 2.641 40 0 HFABRO O=C(CN1C(=O)CC[C@@]12CCC[N@@H+](Cc1ccc(F)cc1F)CC2)N1CCCC1 ZINC000585100858 559025472 /nfs/dbraw/zinc/02/54/72/559025472.db2.gz ZBGPJHDANPZFQX-JOCHJYFZSA-N 1 0 405.489 2.934 40 0 HFABRO Cc1ccc(O)c(C(=O)N2CCC3(CO[C@H](C[N@@H+](C)[C@H]4CC[C@H](O)CC4)C3)CC2)c1 ZINC000585104869 559027306 /nfs/dbraw/zinc/02/73/06/559027306.db2.gz UVYHPQAAEIKNSN-UFYCRDLUSA-N 1 0 416.562 2.947 40 0 HFABRO CC[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc(C)c(F)c2)CC1 ZINC000585106004 559028312 /nfs/dbraw/zinc/02/83/12/559028312.db2.gz CJRKLMAXMVNLQR-IPELMVKDSA-N 1 0 401.526 2.833 40 0 HFABRO COc1cccc(C(=O)N2CCC3(CC2)NC(=O)[C@@H]2C[N@H+](CC4CCCC4)C[C@@H]23)c1 ZINC000585106283 559028703 /nfs/dbraw/zinc/02/87/03/559028703.db2.gz NHKPCHNYTDGEDJ-RTWAWAEBSA-N 1 0 411.546 2.538 40 0 HFABRO CCN1CC2(CC[NH+](Cc3cccnc3)CC2)COc2ccccc2S1(=O)=O ZINC000096145134 559097129 /nfs/dbraw/zinc/09/71/29/559097129.db2.gz VADHQUIGUUGCLJ-UHFFFAOYSA-N 1 0 401.532 2.767 40 0 HFABRO C[NH+](C)CCN1CCOCC12CCN(C(=O)c1ccc(-c3ccncc3)cc1)CC2 ZINC000096226185 559102612 /nfs/dbraw/zinc/10/26/12/559102612.db2.gz LJMLFGKIMVVTQT-UHFFFAOYSA-N 1 0 408.546 2.617 40 0 HFABRO Cc1ncccc1NC(=O)[C@@H]1Cn2ccnc2C2(CC[NH+](Cc3ccccn3)CC2)O1 ZINC000096243877 559105013 /nfs/dbraw/zinc/10/50/13/559105013.db2.gz PFGMCMKYZVRZME-FQEVSTJZSA-N 1 0 418.501 2.510 40 0 HFABRO CCOCCOc1ccc(C[N@H+](C)C[C@]2(O)CCN(c3ccc(F)cn3)C2)cc1 ZINC000585269691 559116016 /nfs/dbraw/zinc/11/60/16/559116016.db2.gz HWZMNVLVSHDNMP-JOCHJYFZSA-N 1 0 403.498 2.709 40 0 HFABRO COC1(COc2ccc(C)cc2C)CC[NH+](C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000585281910 559119555 /nfs/dbraw/zinc/11/95/55/559119555.db2.gz SZILPFXGVKNGOW-UHFFFAOYSA-N 1 0 410.580 2.587 40 0 HFABRO O=C(Cc1ccccc1)N1CC[C@](O)(C[NH+]2CCC(Cc3ccccc3)CC2)[C@@H](O)C1 ZINC000585285159 559121482 /nfs/dbraw/zinc/12/14/82/559121482.db2.gz OQAMBNXQJJKFSF-AHWVRZQESA-N 1 0 422.569 2.508 40 0 HFABRO CCN1CC[C@]2(CN(c3ncccn3)CC23CC[NH+](Cc2cccs2)CC3)C1=O ZINC000097952887 559125053 /nfs/dbraw/zinc/12/50/53/559125053.db2.gz YUOPLDMCIKVXRD-QFIPXVFZSA-N 1 0 411.575 2.879 40 0 HFABRO Cc1ccc(Oc2ccc(C[N@@H+]3[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]3Cc3ccccc3)cn2)cc1 ZINC000585293850 559126855 /nfs/dbraw/zinc/12/68/55/559126855.db2.gz BAPSQXNQYYKTLA-TVYALGDOSA-N 1 0 420.509 2.692 40 0 HFABRO CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](CCSC)[NH2+][C@@]21C(=O)Nc2c1cccc2Cl ZINC000104172350 559158698 /nfs/dbraw/zinc/15/86/98/559158698.db2.gz XMNCZZGJRFMWAK-MDZVHYATSA-N 1 0 421.950 2.612 40 0 HFABRO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cccnc2N2CC[NH2+]CC2)cc1 ZINC000072216380 559169561 /nfs/dbraw/zinc/16/95/61/559169561.db2.gz TZFUQISIEZTIAW-HXUWFJFHSA-N 1 0 400.548 2.716 40 0 HFABRO C[N@H+](Cc1ccc(OCc2ccccn2)cc1)C[C@@]1(O)CCCN(c2cnccn2)C1 ZINC000257241903 559284223 /nfs/dbraw/zinc/28/42/23/559284223.db2.gz IAEBQSOXVVMAHC-DEOSSOPVSA-N 1 0 419.529 2.914 40 0 HFABRO O=C(NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCC(O)CC2)CC1)C1CCCC1 ZINC000257251650 559284631 /nfs/dbraw/zinc/28/46/31/559284631.db2.gz JROYTWMNQQJQAC-LSQMVHIFSA-N 1 0 414.590 2.991 40 0 HFABRO C[N@@H+]1CC[C@@H](COCc2ccccn2)CC12CN(C(=O)[C@H]1Cc3ccccc3O1)C2 ZINC000575402650 560546673 /nfs/dbraw/zinc/54/66/73/560546673.db2.gz DQYXUVZISYLKKV-XMSQKQJNSA-N 1 0 407.514 2.525 40 0 HFABRO C[C@H]1CCCCN1C(=O)CSc1nnc(-c2ccncc2)n1CCC[NH+](C)C ZINC000004130371 560599536 /nfs/dbraw/zinc/59/95/36/560599536.db2.gz HJTUKEBCLCVCGI-INIZCTEOSA-N 1 0 402.568 2.785 40 0 HFABRO CCc1ccc2[nH]c(=O)c(CN(CC[NH+](C)C)C(=S)NC[C@@H]3CCCO3)cc2c1 ZINC000004133438 560600500 /nfs/dbraw/zinc/60/05/00/560600500.db2.gz GZCVIARPURTWHW-IBGZPJMESA-N 1 0 416.591 2.508 40 0 HFABRO COc1ccc([C@@H]2[C@@H](NC(=O)c3ccccc3)C(=O)N/[N+]2=C\c2ccccc2)cc1 ZINC000409060465 560671092 /nfs/dbraw/zinc/67/10/92/560671092.db2.gz VPXRUBWWWWLTHC-PJIZFRNJSA-O 1 0 400.458 2.711 40 0 HFABRO O=C(N[C@@H]1C(=O)N/[N+](=C\c2ccc(F)cc2)[C@H]1c1ccccc1)c1ccc(F)cc1 ZINC000409061970 560671838 /nfs/dbraw/zinc/67/18/38/560671838.db2.gz KSMZIZMHSIQRQS-ZCEBDVNOSA-O 1 0 406.412 2.981 40 0 HFABRO COc1ccccc1/C=[N+]1\NC(=O)[C@@H](NC(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000409068194 560672611 /nfs/dbraw/zinc/67/26/11/560672611.db2.gz KPSFBYCQLXKVAY-NQQNOTTHSA-O 1 0 400.458 2.711 40 0 HFABRO Cc1ccc(N([C@@H](C)C(=O)NCCC[NH+]2CCCCCC2)S(C)(=O)=O)cc1C ZINC000010111222 560763700 /nfs/dbraw/zinc/76/37/00/560763700.db2.gz UFGQJPOZUCKRAM-IBGZPJMESA-N 1 0 409.596 2.840 40 0 HFABRO C[C@@H](C(=O)NCCC[NH+]1CCC(C)CC1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000010540808 560769833 /nfs/dbraw/zinc/76/98/33/560769833.db2.gz JNTOGGBUIHYCJB-INIZCTEOSA-N 1 0 415.987 2.733 40 0 HFABRO OC[C@H]1[C@H](O)C[C@@H]([NH2+]C2CCC(F)(F)CC2)[C@@H]1Cc1ccnc(-c2cccnc2)n1 ZINC000604382330 568489562 /nfs/dbraw/zinc/48/95/62/568489562.db2.gz OHRSPNZXNACJCT-UAFMIMERSA-N 1 0 418.488 2.607 40 0 biogenic,in-vitro HFABRO CCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)NC1CC[NH+](C)CC1 ZINC000219478860 568493374 /nfs/dbraw/zinc/49/33/74/568493374.db2.gz YUVCBCRPKBFYIQ-UHFFFAOYSA-N 1 0 413.543 2.635 40 0 HFABRO CC[C@@H](C(=O)NC1CC[NH+](C)CC1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000220689793 568508503 /nfs/dbraw/zinc/50/85/03/568508503.db2.gz RCGRNZIGRWYPSQ-HNNXBMFYSA-N 1 0 422.378 2.748 40 0 HFABRO COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cc[nH+]cc1 ZINC000223680384 568555957 /nfs/dbraw/zinc/55/59/57/568555957.db2.gz ZBSBRMHKPKLPKJ-WOJBJXKFSA-N 1 0 407.499 2.803 40 0 HFABRO CN(c1cccc(C(=O)NCCC2CC[NH+](C)CC2)c1)S(=O)(=O)c1ccccc1 ZINC000224258219 568575580 /nfs/dbraw/zinc/57/55/80/568575580.db2.gz UJWPYQXMEXDSKQ-UHFFFAOYSA-N 1 0 415.559 2.973 40 0 HFABRO Cc1ccc(S(=O)(=O)N(C)c2ccc(Cl)c(C(=O)NCC[NH+](C)C)c2)cc1 ZINC000224343255 568578513 /nfs/dbraw/zinc/57/85/13/568578513.db2.gz LZJHMBILZDUCNJ-UHFFFAOYSA-N 1 0 409.939 2.765 40 0 HFABRO CNc1nc([C@H]2CCN(C(C)=O)C2)nc2c1CN(Cc1ccc3ncccc3c1)CC2 ZINC000257229467 568784741 /nfs/dbraw/zinc/78/47/41/568784741.db2.gz FYFYYTQYKMCQAC-IBGZPJMESA-N 1 0 416.529 2.961 40 0 HFABRO CCCN1CCN(C(=O)C(C)(C)[NH3+])C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257231592 568785384 /nfs/dbraw/zinc/78/53/84/568785384.db2.gz GHKFVWVHZINEHF-HXUWFJFHSA-N 1 0 408.546 2.725 40 0 HFABRO Cc1sc(NC(=O)CN2CC[C@H](O)[C@]3(CCCO3)C2)nc1-c1ccc(F)cc1 ZINC000257237697 568786934 /nfs/dbraw/zinc/78/69/34/568786934.db2.gz HHRIGMBUBAPRDM-JXFKEZNVSA-N 1 0 405.495 2.812 40 0 HFABRO C[NH2+]CCOc1cccc(C(=O)N2C[C@H](c3ccccc3)[C@H]3CN(C(C)=O)CC[C@H]32)c1 ZINC000257248141 568789785 /nfs/dbraw/zinc/78/97/85/568789785.db2.gz JCHAZPNSKGXATP-WXFUMESZSA-N 1 0 421.541 2.761 40 0 HFABRO Cc1cc(C)n2ncc(C[NH+]3CCC4(CC3)C[C@@H](O)[C@H](c3ccccc3)NC4=O)c2n1 ZINC000257262516 568793484 /nfs/dbraw/zinc/79/34/84/568793484.db2.gz LLSCHUHTRDYGTG-RTWAWAEBSA-N 1 0 419.529 2.550 40 0 HFABRO C[N@H+]1[C@@H]2CCCC[C@@H]3N(C(=O)c4cc(=O)[nH]c(N)n4)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257266581 568794604 /nfs/dbraw/zinc/79/46/04/568794604.db2.gz MDPXJULDCRHYHU-BPJSAFFHSA-N 1 0 421.545 2.853 40 0 HFABRO CCn1c2ccc(NC(=O)C[N@H+]3C[C@@H]4[C@@H](Cc5cnccn5)CC[C@@H]4C3)cc2oc1=O ZINC000257284995 568800029 /nfs/dbraw/zinc/80/00/29/568800029.db2.gz PFEOIGDTOOVDSN-GPMSIDNRSA-N 1 0 421.501 2.544 40 0 HFABRO C[NH+](C)CCOc1ccc(C(=O)N2CC[C@H](Oc3cccc(F)c3)[C@@](C)(O)C2)cc1 ZINC000257286929 568800659 /nfs/dbraw/zinc/80/06/59/568800659.db2.gz PNRXMQRDLVERNM-GMAHTHKFSA-N 1 0 416.493 2.811 40 0 HFABRO CC(C)n1cc(C[N@H+]2C[C@H]3Cc4nnc(C(=O)Nc5cccc(F)c5)n4C[C@@H]3C2)cn1 ZINC000306123202 568886415 /nfs/dbraw/zinc/88/64/15/568886415.db2.gz AHEYWKHEKRHMJC-SJORKVTESA-N 1 0 423.496 2.751 40 0 HFABRO Cc1ccc(C[N@H+]2C[C@H]3Cc4nnc(C(=O)NCc5ccccc5)n4C[C@@H]3C2)cc1 ZINC000306124168 568887261 /nfs/dbraw/zinc/88/72/61/568887261.db2.gz BIDZOQMXHYZDLS-RTWAWAEBSA-N 1 0 401.514 2.821 40 0 HFABRO CC(=O)N1C[C@H](C(=O)Nc2cccc(F)c2)O[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000306125069 568887922 /nfs/dbraw/zinc/88/79/22/568887922.db2.gz CGEHQONXOYPJSU-GGAORHGYSA-N 1 0 411.477 2.656 40 0 HFABRO COc1cccc(C[N@H+]2C[C@H]3Cc4nnc(C(=O)Nc5cccc(F)c5)n4C[C@@H]3C2)c1 ZINC000306135162 568897045 /nfs/dbraw/zinc/89/70/45/568897045.db2.gz OJOVYBFMMGGODG-SJORKVTESA-N 1 0 421.476 2.982 40 0 HFABRO COc1ccc(NC(=O)c2nnc3n2C[C@H]2C[N@@H+](Cc4ccccc4F)C[C@H]2C3)cc1 ZINC000306137694 568899573 /nfs/dbraw/zinc/89/95/73/568899573.db2.gz RDEALECEEPJTER-IAGOWNOFSA-N 1 0 421.476 2.982 40 0 HFABRO COc1ccc(C[N@@H+]2C[C@@H]3Cn4c(nnc4C(=O)NCc4ccccc4)C[C@@H]3C2)cc1 ZINC000306140363 568902120 /nfs/dbraw/zinc/90/21/20/568902120.db2.gz UREIJZAJWDPYET-WOJBJXKFSA-N 1 0 417.513 2.521 40 0 HFABRO COc1ccc(C[N@H+]2C[C@@H]3Cc4nnc(C(=O)NCc5ccccc5)n4C[C@H]3C2)cc1 ZINC000306140362 568902174 /nfs/dbraw/zinc/90/21/74/568902174.db2.gz UREIJZAJWDPYET-VQTJNVASSA-N 1 0 417.513 2.521 40 0 HFABRO Cc1ccc(C(=O)NC[C@H]2CC[C@]3(COCC[N@H+](Cc4ncccc4C)C3)O2)cc1 ZINC000306141333 568903058 /nfs/dbraw/zinc/90/30/58/568903058.db2.gz VSEOPQLIKLJRNL-QPPBQGQZSA-N 1 0 409.530 2.878 40 0 HFABRO O=C1N(Cc2ccccc2)CCO[C@@]12C[N@H+](Cc1ccccn1)C[C@@H]2c1cccnc1 ZINC000306142292 568903681 /nfs/dbraw/zinc/90/36/81/568903681.db2.gz WVMSNBNZUDXNJS-ILBGXUMGSA-N 1 0 414.509 2.874 40 0 HFABRO O=C1N(Cc2ccccc2)CCO[C@]12C[N@H+](Cc1ccncc1)C[C@H]2c1cccnc1 ZINC000306144047 568905316 /nfs/dbraw/zinc/90/53/16/568905316.db2.gz YUIXZJRWCDQNIP-ZCYQVOJMSA-N 1 0 414.509 2.874 40 0 HFABRO O=C1N(Cc2ccsc2)CCO[C@@]12C[N@H+](Cc1ccccn1)C[C@@H]2c1cccnc1 ZINC000306144790 568906282 /nfs/dbraw/zinc/90/62/82/568906282.db2.gz ZONKHPUOQBGCPF-FYYLOGMGSA-N 1 0 420.538 2.935 40 0 HFABRO CCOC(=O)[C@H]1CC(=O)N(c2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)C1 ZINC000072228535 568919816 /nfs/dbraw/zinc/91/98/16/568919816.db2.gz YVKRDWLCDHDXAX-FQEVSTJZSA-N 1 0 407.514 2.925 40 0 HFABRO [NH3+][C@@]1(CO)[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218241543 568928648 /nfs/dbraw/zinc/92/86/48/568928648.db2.gz CJEHKWYEIGCAAD-PMPSAXMXSA-N 1 0 416.724 2.732 40 0 HFABRO CC(C)(C)OC(=O)N[C@]1(C[NH3+])[C@@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccccc1 ZINC000242522224 568963428 /nfs/dbraw/zinc/96/34/28/568963428.db2.gz IMWMOEVGGCHCBX-WAOWUJCRSA-N 1 0 420.506 2.988 40 0 HFABRO COc1ccc(Nc2cc(-c3ccccn3)nc(NCCC[NH+](C)C)n2)c(OC)c1 ZINC000328981236 568971267 /nfs/dbraw/zinc/97/12/67/568971267.db2.gz GTMHLIACXODNSP-UHFFFAOYSA-N 1 0 408.506 2.507 40 0 HFABRO C[NH+](C)CCCNc1nc(Nc2c(F)cc(F)cc2F)cc(-c2ccccn2)n1 ZINC000329003945 568972212 /nfs/dbraw/zinc/97/22/12/568972212.db2.gz KPLXGHPVHGXPLR-UHFFFAOYSA-N 1 0 402.424 2.907 40 0 HFABRO C[NH+](C)CCCNc1nc(Nc2c(F)ccc(F)c2F)cc(-c2cccnc2)n1 ZINC000329009721 568972393 /nfs/dbraw/zinc/97/23/93/568972393.db2.gz LXQXATCRYYDWHT-UHFFFAOYSA-N 1 0 402.424 2.907 40 0 HFABRO C[NH+](C)CCNc1nc(Nc2ccccc2OC(F)(F)F)cc(-c2cccnc2)n1 ZINC000329051902 568974634 /nfs/dbraw/zinc/97/46/34/568974634.db2.gz UYTDMYNMAAHYGZ-UHFFFAOYSA-N 1 0 418.423 2.998 40 0 HFABRO CC[N@@H+]1CCc2nc(-c3ccccc3)n(CC(=O)N(C)c3ccccc3)c(=O)c2C1 ZINC000049400666 569048377 /nfs/dbraw/zinc/04/83/77/569048377.db2.gz OIFDECAMVAMMDB-UHFFFAOYSA-N 1 0 402.498 2.951 40 0 HFABRO C[C@H]1Oc2ccccc2O[C@H]1C[NH+]1CCC2(CC1)C(=O)N(C)CN2c1ccccc1 ZINC000095869981 569069864 /nfs/dbraw/zinc/06/98/64/569069864.db2.gz XCURAXQEILSZCX-GCJKJVERSA-N 1 0 407.514 2.986 40 0 HFABRO Cc1cccc(S(=O)(=O)N2CCN(c3nc(N4CCCCC4)cc(C)[nH+]3)CC2)c1 ZINC000017135486 569275185 /nfs/dbraw/zinc/27/51/85/569275185.db2.gz RPNZYALRCFBGPM-UHFFFAOYSA-N 1 0 415.563 2.595 40 0 HFABRO C[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCN([C@@H](c2nccn2C)c2ccccc2)CC1 ZINC000248112001 569316166 /nfs/dbraw/zinc/31/61/66/569316166.db2.gz HRWNLWZLTCLSLP-NFBKMPQASA-N 1 0 409.578 2.918 40 0 HFABRO C[C@H]1CCCC[N@@H+]1CCC(=O)N1CCN([C@@H](c2nccn2C)c2ccccc2)CC1 ZINC000248112005 569316258 /nfs/dbraw/zinc/31/62/58/569316258.db2.gz HRWNLWZLTCLSLP-NZQKXSOJSA-N 1 0 409.578 2.918 40 0 HFABRO COc1ccccc1C[N@@H+]1CCc2nc([C@@H]3CCN(C(=O)[C@H]4C[C@H]4C)C3)[nH]c(=O)c2C1 ZINC000253592191 569318183 /nfs/dbraw/zinc/31/81/83/569318183.db2.gz UBJARVAUGANOPS-NXHRZFHOSA-N 1 0 422.529 2.721 40 0 HFABRO COc1ccc2c(c1)CN(C(C)=O)C[C@H]([C@H]1CCC[N@H+](Cc3cnn(C)c3C)C1)O2 ZINC000012235397 569344808 /nfs/dbraw/zinc/34/48/08/569344808.db2.gz GKCXMOHFFZFBDD-FDDCHVKYSA-N 1 0 412.534 2.759 40 0 HFABRO O=C([C@H]1CCOC1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](CC1CCCCC1)CC2 ZINC000019014812 569345163 /nfs/dbraw/zinc/34/51/63/569345163.db2.gz BEXGEKOKCRXIII-FXAWDEMLSA-N 1 0 414.550 2.821 40 0 HFABRO CNC(=O)c1sc2ccccc2c1[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CCO1 ZINC000019697650 569346881 /nfs/dbraw/zinc/34/68/81/569346881.db2.gz DNCHQEQZRQMSLM-KRWDZBQOSA-N 1 0 415.559 2.893 40 0 HFABRO CSc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)N1CCC(C)CC1 ZINC000026119455 569349956 /nfs/dbraw/zinc/34/99/56/569349956.db2.gz FLIBQRUJRLMSMH-UHFFFAOYSA-N 1 0 413.609 2.511 40 0 HFABRO CNc1nc([C@H]2CCC[NH2+]2)nc2c1CCN(C(=O)C(C)(C)c1ccc(OC)cc1)C2 ZINC000019707129 569428876 /nfs/dbraw/zinc/42/88/76/569428876.db2.gz DSDHGCCGJJOUHZ-GOSISDBHSA-N 1 0 409.534 2.814 40 0 HFABRO CC(=O)NCC[NH2+]C[C@@H]1C=C(C)[C@H](Cc2nnc(-c3cncn3C)o2)C[C@H]1C(C)C ZINC000035442717 291215245 /nfs/dbraw/zinc/21/52/45/291215245.db2.gz ZLAXXXNPJCRPON-FHWLQOOXSA-N 1 0 414.554 2.593 40 0 biogenic,in-vitro HFABRO COC[C@H]1CCCN1Cc1nc(C2(O)CCN(Cc3ccccn3)CC2)cs1 ZINC000225423161 291222332 /nfs/dbraw/zinc/22/23/32/291222332.db2.gz WCJOGDFYOSJTJY-GOSISDBHSA-N 1 0 402.564 2.633 40 0 biogenic,in-vitro HFABRO O[C@@H]1[C@@H](N2CCC(Cc3ccccc3)CC2)[C@@H]2OC[C@@H](O2)[C@H]1[NH2+]CC1CCCCC1 ZINC000012483426 291230339 /nfs/dbraw/zinc/23/03/39/291230339.db2.gz QQWPTAXZUKURDP-UUFXTFJOSA-N 1 0 414.590 2.964 40 0 biogenic,in-vitro HFABRO CC(C)(C)c1n[nH]cc1C[N@@H+]1CC[C@H](c2cc(C(=O)NCCO)c3ccccc3n2)C1 ZINC000019761931 519089118 /nfs/dbraw/zinc/08/91/18/519089118.db2.gz VFBRTXYPWAMCST-INIZCTEOSA-N 1 0 421.545 2.967 40 0 HFABRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)C1 ZINC000044883602 525211435 /nfs/dbraw/zinc/21/14/35/525211435.db2.gz QHAQWQYEKISTIZ-ZIAGYGMSSA-N 1 0 401.960 2.809 40 0 HFABRO Cn1cc(C(=O)NCc2ccc(F)cc2)c(CC2CC[NH+](Cc3ccnn3C)CC2)n1 ZINC000019757089 527165658 /nfs/dbraw/zinc/16/56/58/527165658.db2.gz VWIQCCCCVWEISB-UHFFFAOYSA-N 1 0 424.524 2.677 40 0 HFABRO O=C(NCCC[NH+]1CCCCCC1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 ZINC000020458039 527665817 /nfs/dbraw/zinc/66/58/17/527665817.db2.gz TUKUVVJFIIULDA-UHFFFAOYSA-N 1 0 421.607 2.998 40 0 HFABRO CN1CN(c2ccccc2)C2(CC[NH+](CC[C@@H]3COc4ccccc4O3)CC2)C1=O ZINC000001640543 557278297 /nfs/dbraw/zinc/27/82/97/557278297.db2.gz VTJGTOAUDCODNK-HXUWFJFHSA-N 1 0 407.514 2.987 40 0 HFABRO CCOC(=O)c1c(C[NH3+])n(C)c2ccc(OC)c(S(=O)(=O)c3ccccc3)c21 ZINC000004357881 557545794 /nfs/dbraw/zinc/54/57/94/557545794.db2.gz VCGZHGWAPSSFDI-UHFFFAOYSA-N 1 0 402.472 2.655 40 0 HFABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCC[NH+](C)C)c2ccc(C)c(Cl)c2)cc1 ZINC000010111548 557855352 /nfs/dbraw/zinc/85/53/52/557855352.db2.gz MADCVUZJVOVEGW-UHFFFAOYSA-N 1 0 423.966 2.830 40 0 HFABRO Cc1c(C[NH+]2CCC(c3nc(C)c4c(n3)N(CC3CC3)C(=O)CC4)CC2)cnn1C ZINC000019739524 558260534 /nfs/dbraw/zinc/26/05/34/558260534.db2.gz HJFJJCLZBMZMJC-UHFFFAOYSA-N 1 0 408.550 2.896 40 0 HFABRO O=C(Cn1cc(C(=O)Nc2ccccc2C[NH+]2CCCC2)ccc1=O)N1CCCCC1 ZINC000019751212 558271314 /nfs/dbraw/zinc/27/13/14/558271314.db2.gz CKAWPPNPNGAQQG-UHFFFAOYSA-N 1 0 422.529 2.709 40 0 HFABRO COc1ccc(CCC(=O)N2CCC[C@@H]2c2nc(C[NH+](C)C)cc(N(C)C)n2)cc1 ZINC000019760873 558276217 /nfs/dbraw/zinc/27/62/17/558276217.db2.gz DUTNKJICUIBEFH-HXUWFJFHSA-N 1 0 411.550 2.909 40 0 HFABRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)C1 ZINC000020481522 558375258 /nfs/dbraw/zinc/37/52/58/558375258.db2.gz BMNUAUGFGWLMEO-OKILXGFUSA-N 1 0 401.960 2.809 40 0 HFABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCC[NH+](C)C)c2ccc(Cl)cc2C)cc1 ZINC000013669459 558561089 /nfs/dbraw/zinc/56/10/89/558561089.db2.gz RGURONCSENDUQT-UHFFFAOYSA-N 1 0 423.966 2.830 40 0 HFABRO Cc1ccc(N(CC(=O)NCCC[NH+](C)C)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000013676067 558564412 /nfs/dbraw/zinc/56/44/12/558564412.db2.gz DAGMXIGJHODSHC-UHFFFAOYSA-N 1 0 403.548 2.567 40 0 HFABRO CC[C@H](C)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1([NH2+][C@H]2CCSC)C(=O)Nc2c1cccc2Cl ZINC000035375497 558790584 /nfs/dbraw/zinc/79/05/84/558790584.db2.gz XMNCZZGJRFMWAK-WQWSPGPQSA-N 1 0 421.950 2.612 40 0 HFABRO Cc1ccc(C(=O)N2CCC[C@@H]2c2nc3c(c(=O)[nH]2)C[N@@H+](C2CCOCC2)CC3)cc1 ZINC000019135324 558846133 /nfs/dbraw/zinc/84/61/33/558846133.db2.gz BPMSTOCXUYKCOU-OAQYLSRUSA-N 1 0 422.529 2.593 40 0 HFABRO Cc1ccsc1C[N@@H+]1CCC[C@@H](c2nc3c(c(=O)[nH]2)CN(C(=O)C2CC2)CC3)C1 ZINC000019238637 558857447 /nfs/dbraw/zinc/85/74/47/558857447.db2.gz KTHWPCFVRVWUAJ-MRXNPFEDSA-N 1 0 412.559 2.814 40 0 HFABRO Cn1ccc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)CC[N@@H+](C2CCCC2)C3)n1 ZINC000019290944 558863438 /nfs/dbraw/zinc/86/34/38/558863438.db2.gz VAOYEENCQDXJSD-IBGZPJMESA-N 1 0 410.522 2.584 40 0 HFABRO O=C([C@@H]1CC[NH2+]C1)N1CCc2nc(-c3ccncc3)nc(Nc3cccc(F)c3)c2C1 ZINC000019293997 558865708 /nfs/dbraw/zinc/86/57/08/558865708.db2.gz BFGVZUYIAZGZBH-MRXNPFEDSA-N 1 0 418.476 2.916 40 0 HFABRO O=C(c1ccccc1)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)N1CCC(CO)CC1 ZINC000019372446 558879635 /nfs/dbraw/zinc/87/96/35/558879635.db2.gz YTBHFNLBCZHDOF-GOTSBHOMSA-N 1 0 406.526 2.848 40 0 HFABRO CC(C)[N@H+]1CCc2nc3cc(C(=O)NCCc4ccc(F)cc4)ccc3c(=O)n2CC1 ZINC000019448619 558887461 /nfs/dbraw/zinc/88/74/61/558887461.db2.gz FZAXBXDSTXEJAH-UHFFFAOYSA-N 1 0 422.504 2.775 40 0 HFABRO C[C@H](Cn1cccn1)C(=O)NC1CC[NH+](Cc2cc(-c3ccccc3F)nn2C)CC1 ZINC000019457656 558892255 /nfs/dbraw/zinc/89/22/55/558892255.db2.gz BTWVORHVFOAOIT-QGZVFWFLSA-N 1 0 424.524 2.840 40 0 HFABRO CC[C@H](CN1CC[NH+](C)CC1)NC(=O)Cc1sc(C)nc1-c1ccc(F)cc1 ZINC000019500313 558898493 /nfs/dbraw/zinc/89/84/93/558898493.db2.gz KTVNIAPHOMRKHM-GOSISDBHSA-N 1 0 404.555 2.942 40 0 HFABRO CCSCc1nc2c(nnn2C2CC[NH+](Cc3ccc(COC)o3)CC2)c(=O)[nH]1 ZINC000019520506 558901510 /nfs/dbraw/zinc/90/15/10/558901510.db2.gz VUNFDSSHPBOALU-UHFFFAOYSA-N 1 0 418.523 2.757 40 0 HFABRO Cc1c(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)CC[N@@H+](C2CCCC2)C3)cnn1C ZINC000019553339 558916544 /nfs/dbraw/zinc/91/65/44/558916544.db2.gz LZLONDZZRWDARS-FQEVSTJZSA-N 1 0 424.549 2.892 40 0 HFABRO COc1ccc(C[N@@H+]2CCc3nc([C@H]4CCCN4C(=O)C4CC4)[nH]c(=O)c3C2)cc1 ZINC000019555493 558918337 /nfs/dbraw/zinc/91/83/37/558918337.db2.gz LTYCBBZAWBDMNY-HXUWFJFHSA-N 1 0 408.502 2.823 40 0 HFABRO Cc1nc(C)c(C(=O)N2CCC[C@H]2CN2Cc3ccccc3OC[C@@H]2C[NH+](C)C)o1 ZINC000019559323 558920776 /nfs/dbraw/zinc/92/07/76/558920776.db2.gz KEOUUBLMTHJZTJ-PMACEKPBSA-N 1 0 412.534 2.721 40 0 HFABRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cn(CC(=O)NC[C@@H]2CCCO2)c2ccccc12 ZINC000019575188 558932556 /nfs/dbraw/zinc/93/25/56/558932556.db2.gz ZTQDARNKWLARFX-NRSPTQNISA-N 1 0 410.562 2.605 40 0 HFABRO C[N@@H+]1CCCN(CC(=O)N2C[C@H](c3csnn3)[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000019589194 558940094 /nfs/dbraw/zinc/94/00/94/558940094.db2.gz YTARLUKJJSLIMG-MSOLQXFVSA-N 1 0 419.982 2.539 40 0 HFABRO COc1nc2ccccc2nc1CCC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000019657122 558949692 /nfs/dbraw/zinc/94/96/92/558949692.db2.gz KWRLDGUALJEUSB-UHFFFAOYSA-N 1 0 412.534 2.532 40 0 HFABRO COC[C@H]1CN(C(=O)c2ccc(NC(C)=O)cc2)CC[N@H+](CCc2ccccc2)C1 ZINC000072354512 558951853 /nfs/dbraw/zinc/95/18/53/558951853.db2.gz SMYJZHHLGHCGQF-OAQYLSRUSA-N 1 0 409.530 2.908 40 0 HFABRO Cn1ncc2c1ncn(CCC(=O)Nc1ccc(C[NH+]3CCCCCC3)cc1)c2=O ZINC000019662668 558953682 /nfs/dbraw/zinc/95/36/82/558953682.db2.gz BWVOHYPSIBJTDD-UHFFFAOYSA-N 1 0 408.506 2.535 40 0 HFABRO NC(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@@H](c3ccc(Cc4ccccc4)cn3)C2)CC1 ZINC000019688136 558957620 /nfs/dbraw/zinc/95/76/20/558957620.db2.gz ZNCDRIXBTMQQAG-JOCHJYFZSA-N 1 0 420.557 2.576 40 0 HFABRO CNc1nc([C@H]2CCC[N@H+](C)C2)nc2c1CN(C(=O)CCOc1ccccc1C)CC2 ZINC000019710438 558972369 /nfs/dbraw/zinc/97/23/69/558972369.db2.gz ZAZIKVURMCCSLT-SFHVURJKSA-N 1 0 423.561 2.990 40 0 HFABRO CC(=O)N1Cc2ccccc2O[C@@]2(CCCN(C(=O)[C@@H]([NH3+])Cc3ccccc3)CC2)C1 ZINC000072394768 558973872 /nfs/dbraw/zinc/97/38/72/558973872.db2.gz RICIDVOPHLKHEU-WIOPSUGQSA-N 1 0 421.541 2.749 40 0 HFABRO C[C@H]1C[C@@H]1C(=O)N1CCC[C@H](c2nc3c(c(=O)[nH]2)C[N@H+](Cc2cccs2)CC3)C1 ZINC000072399049 558976647 /nfs/dbraw/zinc/97/66/47/558976647.db2.gz GYIXNGBNPZDIMQ-ZOBUZTSGSA-N 1 0 412.559 2.752 40 0 HFABRO C[C@H]1CCCC[N@@H+]1Cc1cccc(NC(=O)CCn2cnc3c(cnn3C)c2=O)c1 ZINC000019716249 558977868 /nfs/dbraw/zinc/97/78/68/558977868.db2.gz QBIJCTVNQBTOJG-INIZCTEOSA-N 1 0 408.506 2.533 40 0 HFABRO COc1cccc2cc(C(=O)N3CCC[C@@]4(CCC[N@@H+]4CC(=O)N(C)C)CC3)oc21 ZINC000585100528 559024007 /nfs/dbraw/zinc/02/40/07/559024007.db2.gz MHKVWVXQUFRLCM-HSZRJFAPSA-N 1 0 413.518 2.990 40 0 HFABRO Cc1cncc(C[N@@H+]2C[C@H](C(=O)N3CCCC(F)(F)CC3)C3(C2)CCOCC3)n1 ZINC000585101840 559024902 /nfs/dbraw/zinc/02/49/02/559024902.db2.gz GJNYVLHDCIKROO-GOSISDBHSA-N 1 0 408.493 2.661 40 0 HFABRO C[NH+]1CCC(CN2CC[C@]3(CCCN(C(=O)Cc4cccc(F)c4F)C3)C2=O)CC1 ZINC000585101013 559025639 /nfs/dbraw/zinc/02/56/39/559025639.db2.gz UKRIRJLQOPELTO-QHCPKHFHSA-N 1 0 419.516 2.690 40 0 HFABRO O=C(Cc1cn[nH]c1)NC1CC2(C1)CC[NH+](Cc1c[nH]nc1-c1ccccc1)CC2 ZINC000585102684 559026236 /nfs/dbraw/zinc/02/62/36/559026236.db2.gz AVAUIQDMXUSVCQ-UHFFFAOYSA-N 1 0 404.518 2.903 40 0 HFABRO COCC[N@H+](C[C@H]1CC2(CO1)CCN(S(=O)(=O)c1ccccc1C)CC2)C(C)C ZINC000585104915 559027490 /nfs/dbraw/zinc/02/74/90/559027490.db2.gz XDCVPOUXGPLYFB-HXUWFJFHSA-N 1 0 424.607 2.912 40 0 HFABRO COc1cccc2cc(C(=O)N3CCC4(CC3)NC(=O)[C@@H]3C[N@H+](CC5CC5)C[C@@H]34)oc21 ZINC000585106037 559028246 /nfs/dbraw/zinc/02/82/46/559028246.db2.gz GQMSHHDZBANYIU-MSOLQXFVSA-N 1 0 423.513 2.504 40 0 HFABRO COc1ccc2c(c1OC)C(=O)CO[C@H]2[C@H]1[NH2+]CCc2cc3c(c(OC)c21)OCO3 ZINC000095470475 559081147 /nfs/dbraw/zinc/08/11/47/559081147.db2.gz VYZHNAJGVHAHLI-RBUKOAKNSA-N 1 0 413.426 2.582 40 0 HFABRO COc1ccc(C[NH+]2CCC(c3nc4ccc(N5CCOCC5)cn4n3)CC2)cc1 ZINC000096038298 559091938 /nfs/dbraw/zinc/09/19/38/559091938.db2.gz JREMXLLYYKLVCR-UHFFFAOYSA-N 1 0 407.518 2.954 40 0 HFABRO O=C(NCC1CC1)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@H+](Cc1ccsc1)CCC2 ZINC000096056142 559093868 /nfs/dbraw/zinc/09/38/68/559093868.db2.gz ODLKFAAHVLJWDS-UGKGYDQZSA-N 1 0 411.575 2.783 40 0 HFABRO COCC[N@@H+]1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(Cc3ccccc3)[C@H]2CC1 ZINC000096145868 559097670 /nfs/dbraw/zinc/09/76/70/559097670.db2.gz VBCKEOVMBUHJMK-PMACEKPBSA-N 1 0 416.543 2.749 40 0 HFABRO COCC[NH+]1CCN(c2ccc3ccc(C(=O)NCCc4ccccc4)cn32)CC1 ZINC000096155901 559100009 /nfs/dbraw/zinc/10/00/09/559100009.db2.gz KOJUDBQZQRKYJU-UHFFFAOYSA-N 1 0 406.530 2.680 40 0 HFABRO CC(C)[N@H+](Cc1ccccc1)C[C@@]1(O)CCN(C(=O)CCc2ccccc2)C[C@@H]1O ZINC000585285021 559121418 /nfs/dbraw/zinc/12/14/18/559121418.db2.gz NDNDYLYIKCFLBM-ZCYQVOJMSA-N 1 0 410.558 2.854 40 0 HFABRO O=C(Cc1ccc(Cl)cc1)N1CC[C@](O)(C[NH2+]Cc2ccc(Cl)cc2)[C@@H](O)C1 ZINC000585286339 559121953 /nfs/dbraw/zinc/12/19/53/559121953.db2.gz QCMPPGMEFBAYHS-FPOVZHCZSA-N 1 0 423.340 2.650 40 0 HFABRO C[NH+]1CCN(c2ccc(NC(=O)c3cc(NS(C)(=O)=O)ccc3Cl)cc2)CC1 ZINC000113948165 559182650 /nfs/dbraw/zinc/18/26/50/559182650.db2.gz KWCNDTGBMJBACZ-UHFFFAOYSA-N 1 0 422.938 2.716 40 0 HFABRO COc1ccccc1CNC(=O)C[N@@H+]1CCC[C@@](O)(COc2ccccc2F)CC1 ZINC000257325514 559283192 /nfs/dbraw/zinc/28/31/92/559283192.db2.gz WTFSNOOUBHHYNC-QHCPKHFHSA-N 1 0 416.493 2.747 40 0 HFABRO C[N@@H+](Cc1ccc(OCCO)cc1)C[C@@H](O)Cn1c2ccccc2nc1C(F)(F)F ZINC000257281816 559285273 /nfs/dbraw/zinc/28/52/73/559285273.db2.gz ORCUFQJPQVXPEA-MRXNPFEDSA-N 1 0 423.435 2.919 40 0 HFABRO COc1ccc([C@H]2[C@H](NC(=O)c3ccccc3)C(=O)N/[N+]2=C\c2ccc(F)cc2)cc1 ZINC000409061952 560671843 /nfs/dbraw/zinc/67/18/43/560671843.db2.gz KLDYBDRAVOVYNG-NXTBZVMJSA-O 1 0 418.448 2.850 40 0 HFABRO CC[NH+]1CCN([C@H](c2nnnn2C2CCCC2)c2cc3cccc(C)c3[nH]c2=O)CC1 ZINC000019527974 560874656 /nfs/dbraw/zinc/87/46/56/560874656.db2.gz GYNKSOKQYPZRBI-NRFANRHFSA-N 1 0 421.549 2.665 40 0 HFABRO O=C(c1ccc(Cl)cc1)N1C[C@@H]2COCCN2C2(C[NH+](C3CCCCC3)C2)C1 ZINC000604381757 568489311 /nfs/dbraw/zinc/48/93/11/568489311.db2.gz NCCDXOUQUYADDI-HXUWFJFHSA-N 1 0 403.954 2.884 40 0 biogenic,in-vitro HFABRO C[C@@H](C(=O)NCCC[NH+]1CCCCCC1)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000224123713 568570787 /nfs/dbraw/zinc/57/07/87/568570787.db2.gz LKTQPVPXDIFKDE-HNNXBMFYSA-N 1 0 417.522 2.502 40 0 HFABRO CN(c1ccc(F)cc1)S(=O)(=O)c1cccc(C(=O)NCCC[NH+]2CCCC2)c1 ZINC000224174624 568572512 /nfs/dbraw/zinc/57/25/12/568572512.db2.gz NRVZWVQWSVGMBO-UHFFFAOYSA-N 1 0 419.522 2.867 40 0 HFABRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2cccc(N3CCCCS3(=O)=O)c2)C1 ZINC000224392544 568580122 /nfs/dbraw/zinc/58/01/22/568580122.db2.gz PAMJTFLPFIWXLF-QZTJIDSGSA-N 1 0 407.580 2.714 40 0 HFABRO Cc1cccc(N(CC(=O)NCc2ccccc2C[NH+]2CCCC2)S(C)(=O)=O)c1 ZINC000224764377 568595917 /nfs/dbraw/zinc/59/59/17/568595917.db2.gz AOHMLJMIQMSNAO-UHFFFAOYSA-N 1 0 415.559 2.673 40 0 HFABRO CCOC(=O)[C@]1(C[NH3+])[C@@H](c2ccc(OC)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000242473209 568598817 /nfs/dbraw/zinc/59/88/17/568598817.db2.gz FBULYROZECUSEK-NLWGTHIKSA-N 1 0 423.918 2.797 40 0 HFABRO CN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)c1 ZINC000225424836 568636888 /nfs/dbraw/zinc/63/68/88/568636888.db2.gz CCJOTSBIKZHICP-UHFFFAOYSA-N 1 0 417.531 2.662 40 0 HFABRO COC(=O)c1cc(S(=O)(=O)NCCC[N@@H+]2CCc3ccccc3C2)ccc1C ZINC000225856331 568681205 /nfs/dbraw/zinc/68/12/05/568681205.db2.gz ORDGZZJITUKRMK-UHFFFAOYSA-N 1 0 402.516 2.508 40 0 HFABRO CC(=O)NC1CC[NH+](C[C@@]2(O)CCCN(C(=O)CCC3CCCCC3)CC2)CC1 ZINC000257201739 568776518 /nfs/dbraw/zinc/77/65/18/568776518.db2.gz AIWAPGVQQHIEHU-HSZRJFAPSA-N 1 0 407.599 2.691 40 0 HFABRO Cc1nc([C@@H]2CCC[N@H+](Cc3ccccc3)C2)nc(C)c1CC(=O)N1CCOCC1 ZINC000257213878 568780162 /nfs/dbraw/zinc/78/01/62/568780162.db2.gz CJKZPKYOIVNJLY-OAQYLSRUSA-N 1 0 408.546 2.874 40 0 HFABRO C[NH+]1CCC(Cc2cccc(F)c2)(C(=O)N2CC[C@H](O)[C@@H](n3ccnc3)CC2)CC1 ZINC000257221443 568782524 /nfs/dbraw/zinc/78/25/24/568782524.db2.gz DPBDNJSVPUOHKY-SFTDATJTSA-N 1 0 414.525 2.501 40 0 HFABRO C[N@H+](Cc1ccc(F)cc1)C[C@]1(O)CCCN(C(=O)c2ccc3n[nH]nc3c2)CC1 ZINC000257227983 568784362 /nfs/dbraw/zinc/78/43/62/568784362.db2.gz FRWBVGSPCZIXPV-QFIPXVFZSA-N 1 0 411.481 2.586 40 0 HFABRO Cc1cc(C(=O)N2CCN(C)[C@H](c3ccccc3)C2)nc(C2(C)CC[NH+](C)CC2)n1 ZINC000257246980 568789552 /nfs/dbraw/zinc/78/95/52/568789552.db2.gz IWUUSKOMUAYARL-NRFANRHFSA-N 1 0 407.562 2.897 40 0 HFABRO Nc1nc2c(c(N)n1)C[C@@]1(CCC[N@H+](Cc3c[nH]nc3-c3ccc(F)cc3)CC1)O2 ZINC000257255276 568791648 /nfs/dbraw/zinc/79/16/48/568791648.db2.gz KGWCMEGBUYDLFV-NRFANRHFSA-N 1 0 409.469 2.530 40 0 HFABRO Cc1nccn1[C@@H]1CCCC[C@@H](N(C)C(=O)c2ccc(OCC[NH+](C)C)cc2)[C@H]1O ZINC000257263246 568793719 /nfs/dbraw/zinc/79/37/19/568793719.db2.gz LPAAKKYIPNAGEI-YPAWHYETSA-N 1 0 414.550 2.749 40 0 HFABRO Cc1c(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[N@H+](C)C3)sc2ncn(C)c(=O)c12 ZINC000257313806 568808282 /nfs/dbraw/zinc/80/82/82/568808282.db2.gz UUFKCAQJQJUHIF-TYTKBFJVSA-N 1 0 400.548 2.781 40 0 HFABRO Cc1cc(Nc2cc(C[C@H]3CCCN(C(=O)C4CC[NH+](C)CC4)C3)nc(C)n2)n[nH]1 ZINC000257333566 568814231 /nfs/dbraw/zinc/81/42/31/568814231.db2.gz YCCSFRDPZOUMMN-QGZVFWFLSA-N 1 0 411.554 2.683 40 0 HFABRO C[N@H+](Cc1ccc(F)cc1)C[C@@]1(O)CCCN(C(=O)Cc2ccc(CO)cc2)CC1 ZINC000257340834 568816176 /nfs/dbraw/zinc/81/61/76/568816176.db2.gz ZHRNWACTMGBFDZ-XMMPIXPASA-N 1 0 414.521 2.736 40 0 HFABRO CN(C)C(=O)c1sc2nc(C3(C)CC[NH+](Cc4cnccn4)CC3)ccc2c1N ZINC000257340888 568816288 /nfs/dbraw/zinc/81/62/88/568816288.db2.gz ZHYOVHQXWIYHNO-UHFFFAOYSA-N 1 0 410.547 2.924 40 0 HFABRO CC1(C)[C@@H]2C[C@H]1C(C[N@@H+]1CCOC[C@]3(CC[C@H](CNC(=O)c4ccno4)O3)C1)=CC2 ZINC000306127061 568890107 /nfs/dbraw/zinc/89/01/07/568890107.db2.gz FNJUUDAJXICDDX-YWNPBTLJSA-N 1 0 415.534 2.647 40 0 HFABRO Cc1c(F)cccc1C[N@@H+]1C[C@@H]2Cn3cc(C(=O)NC4CCCCC4)c(=O)nc3[C@H]2C1 ZINC000306128142 568890932 /nfs/dbraw/zinc/89/09/32/568890932.db2.gz GRHQVUGYRHNTSR-MJGOQNOKSA-N 1 0 424.520 2.983 40 0 HFABRO CC[C@@H](C)NC(=O)c1nnc2n1CC1(CC[NH+](Cc3cccs3)CC1)COC2 ZINC000306135062 568897030 /nfs/dbraw/zinc/89/70/30/568897030.db2.gz OGKIYYMEVSRQEV-OAHLLOKOSA-N 1 0 403.552 2.681 40 0 HFABRO O=C(NCc1ccncc1)c1nnc2n1CC1(C2)CC[NH+](Cc2cccc(F)c2)CC1 ZINC000306135313 568897216 /nfs/dbraw/zinc/89/72/16/568897216.db2.gz ONIZXYUERWIWMY-UHFFFAOYSA-N 1 0 420.492 2.581 40 0 HFABRO Cc1ccc(C[N@@H+]2C[C@@H]3CCn4c(C(=O)NCc5ccc(F)cc5)nnc4[C@@H]3C2)o1 ZINC000306138961 568900949 /nfs/dbraw/zinc/90/09/49/568900949.db2.gz SLTKCMBPEBTNIK-QFBILLFUSA-N 1 0 409.465 2.868 40 0 HFABRO CC[C@@H](C)NC(=O)c1nnc2n1CC1(CC[NH+](Cc3cccc(C)c3)CC1)COC2 ZINC000306139283 568901068 /nfs/dbraw/zinc/90/10/68/568901068.db2.gz STYXUNKFCVCXDW-GOSISDBHSA-N 1 0 411.550 2.927 40 0 HFABRO CC(C)Cn1cc2c(n1)C1(CC[NH+](Cc3ccc4c(c3)OCO4)CC1)CN(C)C2=O ZINC000306144110 568905358 /nfs/dbraw/zinc/90/53/58/568905358.db2.gz YWHMVDQMSXOZMF-UHFFFAOYSA-N 1 0 410.518 2.887 40 0 HFABRO O=C1N(Cc2ccsc2)CCO[C@@]12C[N@H+](Cc1cccnc1)C[C@@H]2c1cccnc1 ZINC000306144525 568905902 /nfs/dbraw/zinc/90/59/02/568905902.db2.gz ZHWCALRBPJPEOD-FYYLOGMGSA-N 1 0 420.538 2.935 40 0 HFABRO O=C1N(Cc2cccnc2)CCO[C@@]12C[N@H+](Cc1ccsc1)C[C@@H]2c1cccnc1 ZINC000306145159 568906474 /nfs/dbraw/zinc/90/64/74/568906474.db2.gz ZZUNTUDDSAEDDY-FYYLOGMGSA-N 1 0 420.538 2.935 40 0 HFABRO CC(C)(C)OC(=O)N[C@@]1(C[NH3+])[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218036980 568924566 /nfs/dbraw/zinc/92/45/66/568924566.db2.gz CYPPSCAOSORZEQ-LQWHRVPQSA-N 1 0 402.516 2.849 40 0 HFABRO COc1cc(Nc2cc(-c3cccnc3)nc(NCCC[NH+](C)C)n2)cc(OC)c1 ZINC000329050030 568974775 /nfs/dbraw/zinc/97/47/75/568974775.db2.gz URTGYPGMRKWEAS-UHFFFAOYSA-N 1 0 408.506 2.507 40 0 HFABRO C[C@H]1C[N@H+](C)CC[C@H]1CCc1ccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)cc1 ZINC000248084267 569316249 /nfs/dbraw/zinc/31/62/49/569316249.db2.gz AZIGQRWIAUJEEC-PKOBYXMFSA-N 1 0 421.607 2.817 40 0 HFABRO C[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H](c3cc(=O)n4c(n3)CCCCC4)C2)[C@@H]1C ZINC000019496679 569345523 /nfs/dbraw/zinc/34/55/23/569345523.db2.gz BSYPWKCGXZDDHV-GUDVDZBRSA-N 1 0 400.567 2.796 40 0 HFABRO CCN(C(=O)CN1CCC[C@@H]1c1nc(C[NH2+]C)cc(N(C)C)n1)c1cccc(C)c1 ZINC000019760787 569429695 /nfs/dbraw/zinc/42/96/95/569429695.db2.gz OPOQBZMGSFEROD-HXUWFJFHSA-N 1 0 410.566 2.760 40 0 HFABRO C[NH+](C)CCNc1nc(-c2ccccn2)cc(=NNc2c(F)c(F)cc(F)c2F)[nH]1 ZINC000329040316 571304634 /nfs/dbraw/zinc/30/46/34/571304634.db2.gz SDGDJBRXNRCWPQ-UHFFFAOYSA-N 1 0 421.402 3.508 40 0 HFABRO CC(C)CNC(=S)NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2c1cc(-c2ccco2)nn1C ZINC000008635411 291217188 /nfs/dbraw/zinc/21/71/88/291217188.db2.gz QYWZDEGPFPCLRO-BBWFWOEESA-N 1 0 401.580 2.978 40 0 biogenic,in-vitro HFABRO COc1ncccc1C[NH2+]C[C@H]1Cn2cc(-c3ccc4c(c3)OCCCO4)nc2CO1 ZINC000096269405 291226036 /nfs/dbraw/zinc/22/60/36/291226036.db2.gz BMEZSHJATPWELC-SFHVURJKSA-N 1 0 422.485 2.804 40 0 biogenic,in-vitro HFABRO COc1ccc(C[NH+]2CCC(CNC(=O)[C@@H]3CCCN(c4ncccn4)C3)CC2)cc1 ZINC000012184094 132356216 /nfs/dbraw/zinc/35/62/16/132356216.db2.gz VNQCYEOKYUOMKX-OAQYLSRUSA-N 1 0 423.561 2.730 40 0 HFABRO CCOC(=O)C1=C(O)NC(N2CCN(c3ccccc3)CC2)=[NH+][C@@H]1c1cccc(C)c1 ZINC000020801402 132471147 /nfs/dbraw/zinc/47/11/47/132471147.db2.gz OHRMUNGSBUFMIO-NHCUHLMSSA-N 1 0 420.513 2.523 40 0 HFABRO CN1c2ccccc2[C@@]2(C1=O)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1[C@H]1CCCC[N@@H+]12 ZINC000100202079 557267605 /nfs/dbraw/zinc/26/76/05/557267605.db2.gz INAWKYYRGFLTDR-FIXDAVPBSA-N 1 0 401.466 2.532 40 0 HFABRO Cn1c2cc(NC(=O)c3ccccc3Cl)c(N3CC[NH+](C)CC3)cc2n(C)c1=O ZINC000408530812 557297682 /nfs/dbraw/zinc/29/76/82/557297682.db2.gz MTEIZNRZGAVSIC-UHFFFAOYSA-N 1 0 413.909 2.535 40 0 HFABRO Cn1c(=O)c2c(C(F)(F)F)cc(C3CC[NH+](CC(C)(C)C)CC3)nc2n(C)c1=O ZINC000019744808 558265261 /nfs/dbraw/zinc/26/52/61/558265261.db2.gz KKBNPJONFBUDDT-UHFFFAOYSA-N 1 0 412.456 2.877 40 0 HFABRO Cn1cc(C(=O)NCc2ccccn2)c(CC2CC[NH+](Cc3cccnc3)CC2)n1 ZINC000019758964 558275354 /nfs/dbraw/zinc/27/53/54/558275354.db2.gz KGEFUKVDDHSGAH-UHFFFAOYSA-N 1 0 404.518 2.595 40 0 HFABRO COc1ccc2c(c1)C(=O)N[C@]1(C[N@H+](Cc3cccc(C)c3)C[C@@H]1C(=O)N(C)C)CC2 ZINC000012125736 558331356 /nfs/dbraw/zinc/33/13/56/558331356.db2.gz URFCNUGLWRZGEP-RDGATRHJSA-N 1 0 421.541 2.639 40 0 HFABRO CC(C)(C)Nc1c(C2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)[nH+]c2ccc(F)cn21 ZINC000012127988 558331490 /nfs/dbraw/zinc/33/14/90/558331490.db2.gz WFAISFXOVMEYPS-OAHLLOKOSA-N 1 0 401.486 2.668 40 0 HFABRO C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1CCc2nc(-c3cnccn3)[nH]c(=O)c2C1 ZINC000012220790 558355692 /nfs/dbraw/zinc/35/56/92/558355692.db2.gz CGSGYCFSGQTLED-CQSZACIVSA-N 1 0 405.458 2.605 40 0 HFABRO CC1(C)CCC[N@H+](CC(=O)N2CCC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)C1 ZINC000012220943 558355940 /nfs/dbraw/zinc/35/59/40/558355940.db2.gz DZWWXDURLGAAIT-SFHVURJKSA-N 1 0 400.567 2.798 40 0 HFABRO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@H]1c1ccc(OCC)cc1 ZINC000020636806 558396156 /nfs/dbraw/zinc/39/61/56/558396156.db2.gz XFWNWTMHNMWJBT-SFTDATJTSA-N 1 0 421.497 2.850 40 0 HFABRO Cc1cccc(N(CC(=O)NCC[NH+](C)C)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000013671137 558562344 /nfs/dbraw/zinc/56/23/44/558562344.db2.gz FHRUCGIKEXIRRN-UHFFFAOYSA-N 1 0 409.939 2.522 40 0 HFABRO CC(C)c1ccc(N(CC(=O)NCCC[NH+]2CCC(C)CC2)S(C)(=O)=O)cc1 ZINC000013671101 558562392 /nfs/dbraw/zinc/56/23/92/558562392.db2.gz AFMURGIBPJOWDY-UHFFFAOYSA-N 1 0 409.596 2.814 40 0 HFABRO CC[C@@H](C(=O)NCC[NH+]1CCCCCC1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712887 558577190 /nfs/dbraw/zinc/57/71/90/558577190.db2.gz MWZGELWFPOPHPV-SFHVURJKSA-N 1 0 415.987 2.877 40 0 HFABRO CC[C@H](C(=O)NCC[NH+]1CCCCCC1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013715030 558578589 /nfs/dbraw/zinc/57/85/89/558578589.db2.gz ZZZWHRPDSRHTGV-GOSISDBHSA-N 1 0 415.987 2.877 40 0 HFABRO O=S(=O)(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc2c(c1)OCCO2 ZINC000015357122 558735631 /nfs/dbraw/zinc/73/56/31/558735631.db2.gz MYXVXSQPMVDYJT-UHFFFAOYSA-N 1 0 402.516 2.922 40 0 HFABRO C[C@H](Oc1ccc(-n2cnnn2)cc1)C(=O)N1CCCC[C@H]1C[NH+]1CCCCCC1 ZINC000019078970 558838634 /nfs/dbraw/zinc/83/86/34/558838634.db2.gz CSAWKFPALPJYNT-ICSRJNTNSA-N 1 0 412.538 2.687 40 0 HFABRO COc1ccc(C[N@@H+]2CCc3nc([C@H]4CCN(C(=O)C(C)(C)C)C4)[nH]c(=O)c3C2)cc1 ZINC000019081064 558839251 /nfs/dbraw/zinc/83/92/51/558839251.db2.gz DLWBEZBZMRTNSR-KRWDZBQOSA-N 1 0 424.545 2.699 40 0 HFABRO Cc1cccc([C@@H]2C[N@H+](Cc3ccc(OCCO)cc3)C[C@]23CCCCC(=O)N3)n1 ZINC000019236385 558855569 /nfs/dbraw/zinc/85/55/69/558855569.db2.gz IVCSEYBEARXJIN-XUZZJYLKSA-N 1 0 409.530 2.790 40 0 HFABRO Cc1cnn(CC(=O)NC2CC[NH+](Cc3cc(-c4ccccc4F)nn3C)CC2)c1 ZINC000019239941 558858714 /nfs/dbraw/zinc/85/87/14/558858714.db2.gz CZUQFTKXWTWNFL-UHFFFAOYSA-N 1 0 410.497 2.512 40 0 HFABRO COc1ccc([C@@H]2CN(C(=O)C[NH+]3CCCCCC3)C[C@H]2c2cc(=O)[nH]c(C)n2)cc1 ZINC000019285479 558859840 /nfs/dbraw/zinc/85/98/40/558859840.db2.gz UJBJOPHZSDJLNF-LEWJYISDSA-N 1 0 424.545 2.673 40 0 HFABRO COc1ccc(CC(=O)NC2CC[NH+](Cc3cc(-c4cccnc4)nn3C)CC2)cc1 ZINC000019288980 558861743 /nfs/dbraw/zinc/86/17/43/558861743.db2.gz AAVACFZDROFEFU-UHFFFAOYSA-N 1 0 419.529 2.814 40 0 HFABRO O=C(C[N@@H+]1CCC[C@H]2CCCC[C@@H]21)N1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000019292010 558864331 /nfs/dbraw/zinc/86/43/31/558864331.db2.gz DKMFOTAVDJZKEB-SBHAEUEKSA-N 1 0 412.578 2.940 40 0 HFABRO O=c1cc([C@@H]2CCCC[N@H+]2Cc2ccc(OCCO)cc2)nc(-c2cccnc2)[nH]1 ZINC000019340882 558871682 /nfs/dbraw/zinc/87/16/82/558871682.db2.gz BZZPQXBSEADVJY-NRFANRHFSA-N 1 0 406.486 2.930 40 0 HFABRO O=C(c1cnccn1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](C1CCCCC1)CC2 ZINC000019403710 558884431 /nfs/dbraw/zinc/88/44/31/558884431.db2.gz YFZUHXYONKUMKM-HXUWFJFHSA-N 1 0 422.533 2.618 40 0 HFABRO CC1CCC([N@@H+]2CCc3nc([C@H]4CCCN(C(=O)c5cc[nH]n5)C4)[nH]c(=O)c3C2)CC1 ZINC000019495964 558894791 /nfs/dbraw/zinc/89/47/91/558894791.db2.gz XVQOCILAZGJELC-CGZBRXJRSA-N 1 0 424.549 2.862 40 0 HFABRO CCCC(=O)N1CCc2nc([C@H]3CCC[N@H+](Cc4cccc(OC)c4)C3)[nH]c(=O)c2C1 ZINC000019501591 558899759 /nfs/dbraw/zinc/89/97/59/558899759.db2.gz QRIQPYOVAFUUQF-SFHVURJKSA-N 1 0 424.545 2.843 40 0 HFABRO CCn1nccc1C(=O)N1CCc2nc([C@H]3CCC[N@@H+]3C3CCCCC3)[nH]c(=O)c2C1 ZINC000019524164 558905564 /nfs/dbraw/zinc/90/55/64/558905564.db2.gz WXLNIKXCUBBGQC-LJQANCHMSA-N 1 0 424.549 2.654 40 0 HFABRO COc1cc(C[N@@H+]2CC[C@@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)cc(OC)c1OC ZINC000019549682 558914447 /nfs/dbraw/zinc/91/44/47/558914447.db2.gz ODIQBJYSFQPGKZ-QGZVFWFLSA-N 1 0 422.485 2.847 40 0 HFABRO Cc1nc2ccccn2c1C[N@@H+]1CCC[C@@H](c2cc(C(=O)N3CCC(O)CC3)on2)C1 ZINC000019554946 558917930 /nfs/dbraw/zinc/91/79/30/558917930.db2.gz RSYXXHWPLMWSKP-QGZVFWFLSA-N 1 0 423.517 2.607 40 0 HFABRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cn(CC(=O)NC[C@@H]2CCCO2)c2ccccc12 ZINC000019575816 558932776 /nfs/dbraw/zinc/93/27/76/558932776.db2.gz ZTQDARNKWLARFX-TYPHKJRUSA-N 1 0 410.562 2.605 40 0 HFABRO CN(C)c1ncc(C(=O)N(C)C2CCC3(CC2)C[N@H+](C)Cc2ccccc2O3)cn1 ZINC000019590868 558940979 /nfs/dbraw/zinc/94/09/79/558940979.db2.gz XKMDLKFXTXBIFK-UHFFFAOYSA-N 1 0 409.534 2.820 40 0 HFABRO COCCC(=O)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)C[N@H+](Cc2cccs2)CC3)C1 ZINC000019593140 558944080 /nfs/dbraw/zinc/94/40/80/558944080.db2.gz ORWUEPIGYHHRAL-OAHLLOKOSA-N 1 0 416.547 2.545 40 0 HFABRO COc1cc(OC)c(OC)cc1CN1C[C@@H]2C[C@@H](O)C[N@@H+]2C[C@@H]1Cc1ccccc1 ZINC000019595015 558945804 /nfs/dbraw/zinc/94/58/04/558945804.db2.gz FFOHACBIFXXORV-PCCBWWKXSA-N 1 0 412.530 2.575 40 0 HFABRO C[NH+]1CCC(C(=O)N2CCC[C@H](c3cccc(-c4cccc(C(N)=O)c4)n3)C2)CC1 ZINC000072350388 558947480 /nfs/dbraw/zinc/94/74/80/558947480.db2.gz YJYVPXRWHXZWLE-FQEVSTJZSA-N 1 0 406.530 2.895 40 0 HFABRO NC(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@H](c3ccc(Cc4ccccc4)cn3)C2)CC1 ZINC000019688138 558957728 /nfs/dbraw/zinc/95/77/28/558957728.db2.gz ZNCDRIXBTMQQAG-QFIPXVFZSA-N 1 0 420.557 2.576 40 0 HFABRO Cc1ccnn1CCNC(=O)c1ccc([C@H]2CCC[N@H+](Cc3ccccn3)C2)nc1 ZINC000019705906 558968461 /nfs/dbraw/zinc/96/84/61/558968461.db2.gz NBXKTMJYRORNBV-FQEVSTJZSA-N 1 0 404.518 2.791 40 0 HFABRO CN(C)C(=O)C[N@@H+]1CCC[C@@]12CCCN(C(=O)COc1cccc(Cl)c1)CC2 ZINC000585100573 559024123 /nfs/dbraw/zinc/02/41/23/559024123.db2.gz OERSKNRYIZRREY-OAQYLSRUSA-N 1 0 407.942 2.654 40 0 HFABRO C[N@H+](C[C@@H]1CC2(CO1)CCN(C(=O)Cc1ccc(O)cc1)CC2)[C@H]1CC[C@H](O)CC1 ZINC000585105133 559027662 /nfs/dbraw/zinc/02/76/62/559027662.db2.gz ZBHZCELWADLKAR-BVSLBCMMSA-N 1 0 416.562 2.568 40 0 HFABRO C[N@@H+]1Cc2c(-c3ccccc3)ncn2[C@@]2(CCCN(C(=O)Cc3ccccn3)C2)C1 ZINC000585107473 559027945 /nfs/dbraw/zinc/02/79/45/559027945.db2.gz XAPBHRIMDFCPAQ-DEOSSOPVSA-N 1 0 401.514 2.951 40 0 HFABRO CC(C)CC[N@@H+]1C[C@@H]2C(=O)NC3(CCN(c4cc(C(F)(F)F)ncn4)CC3)[C@@H]2C1 ZINC000585106066 559028239 /nfs/dbraw/zinc/02/82/39/559028239.db2.gz ITPJSZSTEHLFDK-LSDHHAIUSA-N 1 0 411.472 2.558 40 0 HFABRO CC[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc(C)c(F)c2)CC1 ZINC000585106005 559028274 /nfs/dbraw/zinc/02/82/74/559028274.db2.gz CJRKLMAXMVNLQR-LZQZEXGQSA-N 1 0 401.526 2.833 40 0 HFABRO CCC[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)C2(c3cccc(Cl)c3)CC2)CC1 ZINC000585106158 559028393 /nfs/dbraw/zinc/02/83/93/559028393.db2.gz TVALUNUEJLLWQB-MOPGFXCFSA-N 1 0 415.965 2.821 40 0 HFABRO O=C(NCC(F)(F)F)[C@H]1C[C@H]2OCC[C@H]2[N@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000585108741 559030113 /nfs/dbraw/zinc/03/01/13/559030113.db2.gz RDINEVVGHHZXBR-CGTJXYLNSA-N 1 0 408.424 2.530 40 0 HFABRO NC(=O)c1sc2ncccc2c1[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000585182565 559070109 /nfs/dbraw/zinc/07/01/09/559070109.db2.gz RXHBKRQZNULGRV-OAHLLOKOSA-N 1 0 400.548 2.977 40 0 HFABRO CCN1CC[C@]2(CN(C(=O)N(C)C)CC23CC[NH+](Cc2ccsc2)CC3)C1=O ZINC000096036570 559090455 /nfs/dbraw/zinc/09/04/55/559090455.db2.gz OSLDAQFXCFSBAP-NRFANRHFSA-N 1 0 404.580 2.566 40 0 HFABRO Cc1ccc(C[NH+]2CCC3(CC2)O[C@H](C(=O)N2CCCC2)Cn2ccnc23)s1 ZINC000096036826 559090701 /nfs/dbraw/zinc/09/07/01/559090701.db2.gz CBDIMLCCJXUIML-SFHVURJKSA-N 1 0 400.548 2.766 40 0 HFABRO CC(=O)N1CCn2c(-c3cnn(C)c3)cnc2C12CC[NH+](Cc1ccsc1)CC2 ZINC000096036934 559090745 /nfs/dbraw/zinc/09/07/45/559090745.db2.gz INCJTBWFRRYQCY-UHFFFAOYSA-N 1 0 410.547 2.699 40 0 HFABRO Cc1nc(Cn2cnc(-c3cc(C(=O)NCC[NH+](C)C)c4ccccn34)c2)cs1 ZINC000096154916 559099305 /nfs/dbraw/zinc/09/93/05/559099305.db2.gz UFHWNPIBBCHUEV-UHFFFAOYSA-N 1 0 408.531 2.907 40 0 HFABRO C[NH+](C)[C@@H]1CCN(C(=O)c2ccn(-c3ccc4ccc(-c5ccncc5)cn43)n2)C1 ZINC000096155376 559099531 /nfs/dbraw/zinc/09/95/31/559099531.db2.gz DRPICHCODOQBCH-HXUWFJFHSA-N 1 0 400.486 2.963 40 0 HFABRO CN1CC[NH+](C[C@@H]2CO[C@]3(C2)CCCN(C(=O)c2ccc(-n4cccc4)cc2)C3)CC1 ZINC000096228439 559102714 /nfs/dbraw/zinc/10/27/14/559102714.db2.gz HTKWONGZAQDBLJ-BWKNWUBXSA-N 1 0 422.573 2.736 40 0 HFABRO O=C(c1ccc(-n2cccc2)cc1)N1CCC[C@@]2(C[C@H](C[NH+]3CCOCC3)CO2)C1 ZINC000096228409 559102731 /nfs/dbraw/zinc/10/27/31/559102731.db2.gz CJLBPZUSUFAEMP-HYBUGGRVSA-N 1 0 409.530 2.821 40 0 HFABRO Cc1nccn1C[C@@]1(O)CN(C(=O)c2ccccc2Nc2ccccc2)CC[N@@H+](C)C1 ZINC000585261741 559109346 /nfs/dbraw/zinc/10/93/46/559109346.db2.gz CYJNCOJUDQTCME-XMMPIXPASA-N 1 0 419.529 2.754 40 0 HFABRO Cc1cc(C)n(CCOc2ccc(C[NH2+]C[C@@]3(O)CCN(c4ccccn4)C3)cc2)n1 ZINC000585271475 559115873 /nfs/dbraw/zinc/11/58/73/559115873.db2.gz ZKRGOWGABXIBPB-DEOSSOPVSA-N 1 0 421.545 2.705 40 0 HFABRO COc1cc(C[N@H+](C)C[C@@H](O)c2ccccc2)ccc1OCCN1CCOCC1 ZINC000585272009 559117905 /nfs/dbraw/zinc/11/79/05/559117905.db2.gz IJRNUSRQNVBAGS-OAQYLSRUSA-N 1 0 400.519 2.572 40 0 HFABRO CC(C)[N@H+](Cc1ccccc1)C[C@@]1(O)CN(C(=O)CCc2ccccc2)CC[C@@H]1O ZINC000585286091 559121855 /nfs/dbraw/zinc/12/18/55/559121855.db2.gz VLNGALQGDIYOSH-ZCYQVOJMSA-N 1 0 410.558 2.854 40 0 HFABRO Cc1nccn1CCCOc1cccc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H](O)[C@H]2CO)c1 ZINC000585291608 559123859 /nfs/dbraw/zinc/12/38/59/559123859.db2.gz ASLSYNKACAZHRO-UBFVSLLYSA-N 1 0 421.541 2.982 40 0 HFABRO Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2cccnc2N2CC[NH+](C)CC2)cc1 ZINC000072216592 559169569 /nfs/dbraw/zinc/16/95/69/559169569.db2.gz XSTMACVGZRGVJW-FQEVSTJZSA-N 1 0 400.548 2.668 40 0 HFABRO C[N@@H+](Cc1ccc(OCCCN2CCCC2=O)cc1)C[C@@H](O)COc1ccccc1 ZINC000257277511 559285167 /nfs/dbraw/zinc/28/51/67/559285167.db2.gz NYGDDWNDODWSAZ-OAQYLSRUSA-N 1 0 412.530 2.950 40 0 HFABRO Cc1ccc(OC[C@H](O)C[N@@H+](C)Cc2ccc(OCCOCCO)cc2)c(C)c1 ZINC000257284451 559285387 /nfs/dbraw/zinc/28/53/87/559285387.db2.gz PCTPEIPDPAEVML-OAQYLSRUSA-N 1 0 403.519 2.563 40 0 HFABRO C[NH+](C)CC(=O)NC[C@H]1CC[C@H](c2c3ccccc3sc2C(=O)NCCO)CC1 ZINC000257366862 559286503 /nfs/dbraw/zinc/28/65/03/559286503.db2.gz CNRFLCOECYLZCX-WKILWMFISA-N 1 0 417.575 2.575 40 0 HFABRO COc1ccc2[nH]c(=O)c(CN(CC[NH+](C)C)C(=S)NCc3ccccc3)cc2c1 ZINC000004133579 560600621 /nfs/dbraw/zinc/60/06/21/560600621.db2.gz IGAXFBAXHAHCSN-UHFFFAOYSA-N 1 0 424.570 2.975 40 0 HFABRO CC[C@@H](C)NC(=S)N(CCC[NH+](C)C)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000004161966 560602060 /nfs/dbraw/zinc/60/20/60/560602060.db2.gz ICRMPOVXHFDVEM-OAHLLOKOSA-N 1 0 404.580 2.963 40 0 HFABRO COc1cccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(F)cc3)[C@H]2c2ccccc2)c1 ZINC000409061816 560671718 /nfs/dbraw/zinc/67/17/18/560671718.db2.gz IPUCBDUTCOMXAY-DCFWFYTKSA-O 1 0 418.448 2.850 40 0 HFABRO Cc1ccc([C@@H](c2nnnn2C[C@@H]2CCCO2)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000020140735 560881435 /nfs/dbraw/zinc/88/14/35/560881435.db2.gz OHQUQEPLOXLIAC-VXKWHMMOSA-N 1 0 410.566 2.810 40 0 HFABRO OC[C@H]1[C@H](O)C[C@@H]([NH2+]C2CCCCC2)[C@@H]1Cc1ccnc(COc2ccccc2)n1 ZINC000604382044 568489415 /nfs/dbraw/zinc/48/94/15/568489415.db2.gz ARJMXHFTWIBDHG-SSGKUCQKSA-N 1 0 411.546 2.878 40 0 biogenic,in-vitro HFABRO CN1c2ccccc2C(=O)N(C)c2cnc(Nc3cnn(C4CC[NH2+]CC4)c3)nc21 ZINC000219417128 568491543 /nfs/dbraw/zinc/49/15/43/568491543.db2.gz LKOFXMLMYKWELM-UHFFFAOYSA-N 1 0 404.478 2.699 40 0 HFABRO COCCn1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c1C ZINC000223264829 568543354 /nfs/dbraw/zinc/54/33/54/568543354.db2.gz VFJXLLNQENDAOC-PMACEKPBSA-N 1 0 401.580 2.680 40 0 HFABRO COC(=O)CSc1nnc(NC(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)s1 ZINC000224331600 568578122 /nfs/dbraw/zinc/57/81/22/568578122.db2.gz QJCPFXROYIFMTB-UHFFFAOYSA-N 1 0 420.560 2.962 40 0 HFABRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)C1 ZINC000224384152 568579727 /nfs/dbraw/zinc/57/97/27/568579727.db2.gz PARBDQBPCPFJCR-HDICACEKSA-N 1 0 407.580 2.714 40 0 HFABRO Cc1ccc(C(=O)NCCC[NH+]2CCC(C)CC2)cc1N1CCCCS1(=O)=O ZINC000224397331 568580208 /nfs/dbraw/zinc/58/02/08/568580208.db2.gz ARSASSMBXGWHCQ-UHFFFAOYSA-N 1 0 407.580 2.777 40 0 HFABRO Cc1ccc(C(=O)NCCC[NH+]2CCCCCC2)cc1N1CCCCS1(=O)=O ZINC000224396936 568580240 /nfs/dbraw/zinc/58/02/40/568580240.db2.gz DSXCTNWSEOWPJG-UHFFFAOYSA-N 1 0 407.580 2.921 40 0 HFABRO Cc1cccc(N(CC(=O)NCc2cccc(C[NH+]3CCCC3)c2)S(C)(=O)=O)c1 ZINC000224598250 568587144 /nfs/dbraw/zinc/58/71/44/568587144.db2.gz HRRBPBOIXDIUQN-UHFFFAOYSA-N 1 0 415.559 2.673 40 0 HFABRO COC(=O)c1cccc(S(=O)(=O)NCc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000224697847 568592617 /nfs/dbraw/zinc/59/26/17/568592617.db2.gz ZJRXOTMTOXMOLD-UHFFFAOYSA-N 1 0 402.516 2.938 40 0 HFABRO Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCC[N@H+]3CCC[C@@H](C)C3)CC2)cc1 ZINC000225482365 568641793 /nfs/dbraw/zinc/64/17/93/568641793.db2.gz CYPMXRJOAMAJCS-LJQANCHMSA-N 1 0 421.607 2.634 40 0 HFABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000225569988 568652106 /nfs/dbraw/zinc/65/21/06/568652106.db2.gz XFZCANLSSNBKBY-LJQANCHMSA-N 1 0 407.580 2.856 40 0 HFABRO CCCn1c2ccc(S(=O)(=O)NCCC[NH+]3CCC(C)CC3)cc2sc1=O ZINC000225728498 568668515 /nfs/dbraw/zinc/66/85/15/568668515.db2.gz UIYWFNKOSQXSNR-UHFFFAOYSA-N 1 0 411.593 2.873 40 0 HFABRO CCCn1c2ccc(S(=O)(=O)NCCC[N@@H+]3CCC[C@@H](C)C3)cc2sc1=O ZINC000225734100 568669122 /nfs/dbraw/zinc/66/91/22/568669122.db2.gz HHMGAAAPAOGWNZ-OAHLLOKOSA-N 1 0 411.593 2.873 40 0 HFABRO COc1ccccc1C1OCC(C)(C(=O)Nc2ccc(OCC[NH+](C)C)nc2)CO1 ZINC000225921429 568686240 /nfs/dbraw/zinc/68/62/40/568686240.db2.gz NUTKBSSIIQJEMP-UHFFFAOYSA-N 1 0 415.490 2.721 40 0 HFABRO C[N@H+]1[C@@H]2CCCC[C@@H]3N(C(=O)c4cc(=O)[nH]c(=O)[nH]4)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257223399 568782939 /nfs/dbraw/zinc/78/29/39/568782939.db2.gz DXECONHSNYFTOJ-BPJSAFFHSA-N 1 0 422.529 2.977 40 0 HFABRO CCc1nnc(Nc2cccc([C@H]3CN(C(=O)CC[NH+]4CCCC4)CCO3)n2)s1 ZINC000257225001 568783520 /nfs/dbraw/zinc/78/35/20/568783520.db2.gz FEKPIYUCYQGUFJ-MRXNPFEDSA-N 1 0 416.551 2.625 40 0 HFABRO CCc1nc(-c2cncnc2[C@@H]2CC[N@H+](Cc3cc4c(cc3OC)OCCO4)C2)no1 ZINC000257234295 568785926 /nfs/dbraw/zinc/78/59/26/568785926.db2.gz GSWZACJZPSKANC-CQSZACIVSA-N 1 0 423.473 2.858 40 0 HFABRO Cc1ccc2nccc(N3CCC(O)(CN(C)C(=O)c4ccc(C[NH3+])cc4)CC3)c2n1 ZINC000257279043 568798204 /nfs/dbraw/zinc/79/82/04/568798204.db2.gz OETQXDVFLMULIM-UHFFFAOYSA-N 1 0 419.529 2.500 40 0 HFABRO COc1cc2c(cc1C[N@@H+]1CCC[C@@H](c3n[nH]cc3C(=O)N3CCOCC3)C1)CCC2 ZINC000257293818 568802725 /nfs/dbraw/zinc/80/27/25/568802725.db2.gz QRHIYUWBWZWYHJ-LJQANCHMSA-N 1 0 424.545 2.759 40 0 HFABRO CC[N@H+](Cc1ccncc1)C[C@@]1(O)CCCN(C(=O)c2n[nH]c3ccccc32)CC1 ZINC000257298557 568804068 /nfs/dbraw/zinc/80/40/68/568804068.db2.gz RMGBXCYZLBOUIJ-HSZRJFAPSA-N 1 0 407.518 2.837 40 0 HFABRO CS(=O)(=O)N1CCC([N@@H+]2CC[C@H](c3ncc(Cc4cccc(F)c4)o3)C2)CC1 ZINC000257314015 568808385 /nfs/dbraw/zinc/80/83/85/568808385.db2.gz UVAUGZFHWSZAQJ-INIZCTEOSA-N 1 0 407.511 2.618 40 0 HFABRO CS(=O)(=O)N1CCC([N@@H+]2CC[C@@H](c3ncc(Cc4cccc(F)c4)o3)C2)CC1 ZINC000257314016 568808516 /nfs/dbraw/zinc/80/85/16/568808516.db2.gz UVAUGZFHWSZAQJ-MRXNPFEDSA-N 1 0 407.511 2.618 40 0 HFABRO Cc1nn(C)cc1S(=O)(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3[NH2+][C@H]2Cc1ccccc1 ZINC000257321076 568810673 /nfs/dbraw/zinc/81/06/73/568810673.db2.gz VZZRFBIIHGCKQV-QHGDMDKLSA-N 1 0 414.575 2.633 40 0 HFABRO COC[C@]1(C[NH3+])[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218217305 568836354 /nfs/dbraw/zinc/83/63/54/568836354.db2.gz WHDXJJAXFNAVHT-OKZBNKHCSA-N 1 0 410.333 2.980 40 0 HFABRO COc1ccc(NC(=O)c2nnc3n2C[C@@H]2C[N@@H+](Cc4cccs4)C[C@@H]2C3)cc1 ZINC000306128139 568890992 /nfs/dbraw/zinc/89/09/92/568890992.db2.gz GRFMFQVISRTWJS-GJZGRUSLSA-N 1 0 409.515 2.905 40 0 HFABRO CC[C@@H](C)NC(=O)c1nnc2n1CC1(CC[NH+](Cc3ccc(C)s3)CC1)COC2 ZINC000306129266 568891937 /nfs/dbraw/zinc/89/19/37/568891937.db2.gz HYYSCMKJOMSLQZ-OAHLLOKOSA-N 1 0 417.579 2.989 40 0 HFABRO COCCN1CC[C@@]2(C[N@H+](Cc3ccsc3)C[C@H]2c2cn(C(C)C)cn2)C1=O ZINC000306132148 568894418 /nfs/dbraw/zinc/89/44/18/568894418.db2.gz LAAANIZXQPSAFX-RXVVDRJESA-N 1 0 402.564 2.990 40 0 HFABRO O=C1N(Cc2ccncc2)CCO[C@]12C[N@H+](Cc1cccs1)C[C@H]2c1cccnc1 ZINC000306135900 568897770 /nfs/dbraw/zinc/89/77/70/568897770.db2.gz PEBRGZHAEDBTTO-GMAHTHKFSA-N 1 0 420.538 2.935 40 0 HFABRO CCOC(=O)[C@@]1(C[NH3+])[C@@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218119025 568926140 /nfs/dbraw/zinc/92/61/40/568926140.db2.gz FBULYROZECUSEK-BJLQDIEVSA-N 1 0 423.918 2.797 40 0 HFABRO CCOC(=O)[C@@]1(C[NH3+])[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218652208 568942766 /nfs/dbraw/zinc/94/27/66/568942766.db2.gz BTXJLVOOORJGIC-AOIWGVFYSA-N 1 0 411.882 2.927 40 0 HFABRO C[NH+](C)CCNc1nc(Nc2ccccc2OC(F)(F)F)cc(C(F)(F)F)n1 ZINC000328988296 568971450 /nfs/dbraw/zinc/97/14/50/568971450.db2.gz IFVMLMLBQNGVBF-UHFFFAOYSA-N 1 0 409.334 2.955 40 0 HFABRO Cn1nc(C(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@H]32)c2ccccc2c1=O ZINC000257198831 569058984 /nfs/dbraw/zinc/05/89/84/569058984.db2.gz JOOVBUDCBFQMDE-LANGDILFSA-N 1 0 418.541 2.969 40 0 HFABRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cn(CC(=O)NC[C@H]2CCCO2)c2ccccc12 ZINC000249703410 569316871 /nfs/dbraw/zinc/31/68/71/569316871.db2.gz ZTQDARNKWLARFX-CEWLAPEOSA-N 1 0 410.562 2.605 40 0 HFABRO CC[NH+]1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)CCC3CCCCC3)C1)C2=O ZINC000019699830 569347158 /nfs/dbraw/zinc/34/71/58/569347158.db2.gz WLACDGLHWIWYLE-LJQANCHMSA-N 1 0 418.582 2.744 40 0 HFABRO COc1ncc(C[N@@H+]2CC[C@@H](c3c(CNC(C)=O)cnn3-c3ccc(C)cc3)C2)cn1 ZINC000019708009 569348074 /nfs/dbraw/zinc/34/80/74/569348074.db2.gz FWXFCVRWUDJKBA-LJQANCHMSA-N 1 0 420.517 2.605 40 0 HFABRO [NH3+][C@@]1(CO)[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Br)cc1 ZINC000252514328 569387936 /nfs/dbraw/zinc/38/79/36/569387936.db2.gz CJEHKWYEIGCAAD-BZUAXINKSA-N 1 0 416.724 2.732 40 0 HFABRO CCN1CCN(C(=O)C2CC[NH2+]CC2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257252524 569397803 /nfs/dbraw/zinc/39/78/03/569397803.db2.gz JVCGMHLEAYQDSB-JOCHJYFZSA-N 1 0 420.557 2.598 40 0 HFABRO COCCNC(=O)CC[C@]12CC[C@](C)(O)C[C@H]1C(C)(C)C[C@@H]2[NH2+]Cc1cccn1C ZINC000035442598 291222002 /nfs/dbraw/zinc/22/20/02/291222002.db2.gz PZGNPNPTHBNCNO-TZYAJKAJSA-N 1 0 419.610 2.994 40 0 biogenic,in-vitro HFABRO COc1ccc2c(c1)C=C(C[N@@H+]1CCc3nc(N4CCC(C)CC4)[nH]c(=O)c3C1)CO2 ZINC000012185109 132356118 /nfs/dbraw/zinc/35/61/18/132356118.db2.gz RUQHDQIGXGCGRD-UHFFFAOYSA-N 1 0 422.529 2.849 40 0 HFABRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=S)Nc2cccc(N(C)S(C)(=O)=O)c2)C1 ZINC000225728795 525383457 /nfs/dbraw/zinc/38/34/57/525383457.db2.gz ANTFYGXCAABPRG-IYBDPMFKSA-N 1 0 412.625 2.737 40 0 HFABRO CSCC[C@H]1[NH2+][C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@@H]12 ZINC000009044206 557820322 /nfs/dbraw/zinc/82/03/22/557820322.db2.gz YOQDNMMJGUOMEP-OHNQJVKOSA-N 1 0 421.950 2.612 40 0 HFABRO COc1cccc(C(=O)N(C)[C@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)CC2)c1 ZINC000019745587 558266033 /nfs/dbraw/zinc/26/60/33/558266033.db2.gz MAKYRRVHYZBDFV-FQEVSTJZSA-N 1 0 401.551 2.880 40 0 HFABRO Cc1cc2c(cc3c(=O)n(CC(=O)NCC[NH+](C(C)C)C(C)C)nc(C)n23)s1 ZINC000012115373 558327802 /nfs/dbraw/zinc/32/78/02/558327802.db2.gz ZPOBRVSLYRGPEP-UHFFFAOYSA-N 1 0 403.552 2.563 40 0 HFABRO CCOC(=O)C1=C(O)NC(N2CCN(c3ccccc3)CC2)=[NH+][C@H]1c1ccc(C)cc1 ZINC000020637195 558396496 /nfs/dbraw/zinc/39/64/96/558396496.db2.gz IZJSJUGWVYAWQP-SFTDATJTSA-N 1 0 420.513 2.523 40 0 HFABRO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@@H]1c1cccc(OCC)c1 ZINC000020674706 558399157 /nfs/dbraw/zinc/39/91/57/558399157.db2.gz KPZYNWBEXYWMPX-NHCUHLMSSA-N 1 0 421.497 2.850 40 0 HFABRO COCC[NH+]1CCN(Cc2cc3c([nH]c2=O)n(-c2ccccc2)nc3C(C)(C)C)CC1 ZINC000022913522 558520596 /nfs/dbraw/zinc/52/05/96/558520596.db2.gz SHXMZPKIJIRECL-UHFFFAOYSA-N 1 0 423.561 2.775 40 0 HFABRO Cc1cc(C)cc(N([C@@H](C)C(=O)NCCC[NH+]2CCC(C)CC2)S(C)(=O)=O)c1 ZINC000013613871 558549485 /nfs/dbraw/zinc/54/94/85/558549485.db2.gz GOUFXCOHOYUTLR-IBGZPJMESA-N 1 0 409.596 2.696 40 0 HFABRO CN(c1ccc(C(=O)NCCC[NH+]2CCCC2)cc1)S(=O)(=O)c1ccccc1 ZINC000013647573 558557267 /nfs/dbraw/zinc/55/72/67/558557267.db2.gz ZGTTVFZJPXFFHF-UHFFFAOYSA-N 1 0 401.532 2.727 40 0 HFABRO Cc1ccc(N(CC(=O)NCCC[NH+](C)C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000013674153 558563636 /nfs/dbraw/zinc/56/36/36/558563636.db2.gz OQNJQMRLABMVBQ-UHFFFAOYSA-N 1 0 403.548 2.567 40 0 HFABRO O=C1CCCN1c1ccc(S(=O)(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000030498225 558731064 /nfs/dbraw/zinc/73/10/64/558731064.db2.gz XJLQUTCZDJWPRJ-UHFFFAOYSA-N 1 0 413.543 2.888 40 0 HFABRO CC(C)NC(=O)Cn1cc(C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)c2ccccc21 ZINC000036741512 558802250 /nfs/dbraw/zinc/80/22/50/558802250.db2.gz SSPBOEGFCQYBQB-HXUWFJFHSA-N 1 0 412.578 2.710 40 0 HFABRO C[C@H](Oc1ccc(-n2cnnn2)cc1)C(=O)N1CCCC[C@@H]1C[NH+]1CCCCCC1 ZINC000019078965 558838677 /nfs/dbraw/zinc/83/86/77/558838677.db2.gz CSAWKFPALPJYNT-AZUAARDMSA-N 1 0 412.538 2.687 40 0 HFABRO Cc1cc(N2CCN(CC(=O)OC3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)nc2ccccc12 ZINC000019119012 558842744 /nfs/dbraw/zinc/84/27/44/558842744.db2.gz GMGPBRISOCPNQE-YOFSQIOKSA-N 1 0 408.546 2.834 40 0 HFABRO O=C(c1ccccc1F)N1CCc2c(=O)[nH]c([C@H]3CC[N@@H+](C4CCCC4)C3)nc2C1 ZINC000019347675 558873998 /nfs/dbraw/zinc/87/39/98/558873998.db2.gz SCFVWUUVWUIXLP-HNNXBMFYSA-N 1 0 410.493 2.839 40 0 HFABRO COc1ccc(C2=NO[C@](C)(C(=O)Nc3nnc(CC[NH+]4CCCC4)s3)C2)cc1 ZINC000019460859 558893589 /nfs/dbraw/zinc/89/35/89/558893589.db2.gz AIHUICKDDRSUSI-FQEVSTJZSA-N 1 0 415.519 2.707 40 0 HFABRO Cc1n[nH]c(C)c1CC(=O)NC1CC[NH+](Cc2cc(-c3ccccc3F)nn2C)CC1 ZINC000019578807 558934242 /nfs/dbraw/zinc/93/42/42/558934242.db2.gz UJCMKQIVYMOMIQ-UHFFFAOYSA-N 1 0 424.524 2.889 40 0 HFABRO COc1c(C)cccc1C[N@@H+]1C[C@H](C(=O)N(C)C)[C@@]2(C1)CCc1ccccc1C(=O)N2 ZINC000072334367 558935272 /nfs/dbraw/zinc/93/52/72/558935272.db2.gz JNVMNOFQAZLPPY-BWKNWUBXSA-N 1 0 421.541 2.639 40 0 HFABRO CCOC(=O)c1[nH]c(C)c(C[N@@H+]2CCc3nc(-c4cccnc4)[nH]c(=O)c3C2)c1C ZINC000072339861 558938621 /nfs/dbraw/zinc/93/86/21/558938621.db2.gz DDVVONJUVNBYLR-UHFFFAOYSA-N 1 0 407.474 2.924 40 0 HFABRO COc1ccc(CCC(=O)N2CCC[C@@H](c3nc4c(c(=O)[nH]3)C[N@H+](C)CC4)C2)cc1 ZINC000019590237 558940804 /nfs/dbraw/zinc/94/08/04/558940804.db2.gz YKGTUVIVSCFHIL-QGZVFWFLSA-N 1 0 410.518 2.518 40 0 HFABRO NC(=O)C1(N2CCOCC2)CC[NH+](Cc2cn(C3CCCC3)c3ccccc23)CC1 ZINC000019658550 558950365 /nfs/dbraw/zinc/95/03/65/558950365.db2.gz NZYMCWALJFWNIH-UHFFFAOYSA-N 1 0 410.562 2.909 40 0 HFABRO C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(C2CCN(C(=O)c3ccccn3)CC2)nc1 ZINC000019708113 558970221 /nfs/dbraw/zinc/97/02/21/558970221.db2.gz STJYGCZQHAGKIO-FQEVSTJZSA-N 1 0 421.545 2.711 40 0 HFABRO CS(=O)(=O)CCN1C(=O)CC[C@]12CCC[N@H+](Cc1ccc3c(c1)CCC3)CC2 ZINC000585100581 559024192 /nfs/dbraw/zinc/02/41/92/559024192.db2.gz OONXNDGRTWNKIA-QFIPXVFZSA-N 1 0 404.576 2.567 40 0 HFABRO C[C@H](c1ccccc1)N1C(=O)C[C@H]2[C@@H]1CC[N@@H+]2Cc1ccnc(N2CCOCC2)c1 ZINC000585109145 559030306 /nfs/dbraw/zinc/03/03/06/559030306.db2.gz YAONYENQMNRGBX-COPCDDAFSA-N 1 0 406.530 2.855 40 0 HFABRO CCOC(=O)[C@@]12C[N@H+](Cc3cccc(C)n3)C[C@@H]1CN(C(=O)c1cccnc1)CCC2 ZINC000096056090 559093863 /nfs/dbraw/zinc/09/38/63/559093863.db2.gz KJIOWTUWRIZUPP-YKSBVNFPSA-N 1 0 422.529 2.703 40 0 HFABRO COc1ccc(CCN2C[C@H]3CC[N@H+](Cc4cccnc4)CC[C@H]3S2(=O)=O)cc1 ZINC000096145516 559097393 /nfs/dbraw/zinc/09/73/93/559097393.db2.gz OOESAKMOVLCGPO-IFMALSPDSA-N 1 0 415.559 2.559 40 0 HFABRO CN1CC[NH+](C[C@H]2CO[C@@]3(C2)CCCN(C(=O)c2ccc(-n4cccc4)cc2)C3)CC1 ZINC000096228436 559102670 /nfs/dbraw/zinc/10/26/70/559102670.db2.gz HTKWONGZAQDBLJ-SQJMNOBHSA-N 1 0 422.573 2.736 40 0 HFABRO CCN1C(=O)[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2C12CCN(C(=O)c1ccccc1)CC2 ZINC000096262303 559106403 /nfs/dbraw/zinc/10/64/03/559106403.db2.gz AEDGLIQOUAYPGD-FCHUYYIVSA-N 1 0 418.541 2.667 40 0 HFABRO COc1cccc(NC(=O)N2CCC3(CC[C@@]4(C(=O)N(C)C)C[N@H+](C)C[C@@H]34)CC2)c1 ZINC000096262424 559106495 /nfs/dbraw/zinc/10/64/95/559106495.db2.gz BHZSILJPWBSUKH-WMZHIEFXSA-N 1 0 414.550 2.739 40 0 HFABRO CCN1CC2(CC[NH+](Cc3ccccn3)CC2)COc2ccccc2S1(=O)=O ZINC000096263491 559107065 /nfs/dbraw/zinc/10/70/65/559107065.db2.gz DPJLQCKOGNQXPP-UHFFFAOYSA-N 1 0 401.532 2.767 40 0 HFABRO COc1cccc(N2CCC(O)(C[N@@H+]3CCC[C@@]4(C)[C@@H]3CCCC(=O)N4C)CC2)c1 ZINC000585262972 559111607 /nfs/dbraw/zinc/11/16/07/559111607.db2.gz SAUPCVOCNZXPBE-GMAHTHKFSA-N 1 0 415.578 2.892 40 0 HFABRO COC1(COc2cccc(Cl)c2)CC[NH+](C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000585281617 559119440 /nfs/dbraw/zinc/11/94/40/559119440.db2.gz NHVXYDJNWVULLH-UHFFFAOYSA-N 1 0 416.971 2.624 40 0 HFABRO CC(=O)N1CC[N@H+](CC2(O)CCCCCC2)C[C@@](O)(COc2cc(C)cc(C)c2)C1 ZINC000585284988 559121495 /nfs/dbraw/zinc/12/14/95/559121495.db2.gz BINHKZSYHQSRIB-DEOSSOPVSA-N 1 0 418.578 2.663 40 0 HFABRO O=C(c1ccc(Cl)cc1)N1CC[C@](O)(C[NH2+]Cc2cccc(Cl)c2)[C@@H](O)C1 ZINC000585286105 559121864 /nfs/dbraw/zinc/12/18/64/559121864.db2.gz VUHXIHOCKYAGTA-ICSRJNTNSA-N 1 0 409.313 2.721 40 0 HFABRO CC(C)C[N@@H+]1CC2(CCN(C(=O)c3cccc4cccnc43)CC2)[C@]2(CCNC2=O)C1 ZINC000101847323 559148094 /nfs/dbraw/zinc/14/80/94/559148094.db2.gz GMFHBLJLPSNQRW-RUZDIDTESA-N 1 0 420.557 2.935 40 0 HFABRO C[N@@H+]1CC[C@@H](COCc2ccccn2)CC12CN(C(=O)[C@@H]1Cc3ccccc3O1)C2 ZINC000575402648 560546691 /nfs/dbraw/zinc/54/66/91/560546691.db2.gz DQYXUVZISYLKKV-GCJKJVERSA-N 1 0 407.514 2.525 40 0 HFABRO COc1cc(NC(=S)NCCC[NH+](C)C)c(OC)cc1NC(=O)c1ccco1 ZINC000004126940 560599024 /nfs/dbraw/zinc/59/90/24/560599024.db2.gz FPGAQOWHRZKKMY-UHFFFAOYSA-N 1 0 406.508 2.787 40 0 HFABRO Cc1cccc2cc(CN(C[C@@H]3CCCO3)C(=S)NCCC[NH+](C)C)c(=O)[nH]c12 ZINC000004131854 560599786 /nfs/dbraw/zinc/59/97/86/560599786.db2.gz LZJANVRNJKCYSP-IBGZPJMESA-N 1 0 416.591 2.644 40 0 HFABRO CC[NH+](CC)CCCNC(=S)N(CCO)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000004132707 560600106 /nfs/dbraw/zinc/60/01/06/560600106.db2.gz YCLDKSUIPDALEQ-UHFFFAOYSA-N 1 0 418.607 2.546 40 0 HFABRO CC[NH+](CC)CCN(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C(=S)NCCOC ZINC000004133779 560600725 /nfs/dbraw/zinc/60/07/25/560600725.db2.gz GOOCAKYFGYZDKN-UHFFFAOYSA-N 1 0 418.607 2.810 40 0 HFABRO CC[NH+](CC)CCN(Cc1cc2cc(C)c(C)cc2[nH]c1=O)C(=S)NCCOC ZINC000004133815 560600765 /nfs/dbraw/zinc/60/07/65/560600765.db2.gz UBQYCRVRPAXXSR-UHFFFAOYSA-N 1 0 418.607 2.810 40 0 HFABRO CC[NH+](CC)CCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=S)NCCOC ZINC000004133743 560600781 /nfs/dbraw/zinc/60/07/81/560600781.db2.gz SRWKVDWTLFNURZ-UHFFFAOYSA-N 1 0 404.580 2.501 40 0 HFABRO COc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccc(F)cc3)[C@H]2c2ccccc2)cc1 ZINC000409056087 560670317 /nfs/dbraw/zinc/67/03/17/560670317.db2.gz GEHVTBRZMXULDN-NXTBZVMJSA-O 1 0 418.448 2.850 40 0 HFABRO COc1cccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccccc3)[C@@H]2c2ccccc2)c1 ZINC000409057249 560670551 /nfs/dbraw/zinc/67/05/51/560670551.db2.gz JZWSYJHHGRLXPQ-DZAWMCJLSA-O 1 0 400.458 2.711 40 0 HFABRO O=C(N[C@H]1C(=O)N/[N+](=C\c2ccc(F)cc2)[C@@H]1c1ccccc1)c1ccc(F)cc1 ZINC000409061969 560671795 /nfs/dbraw/zinc/67/17/95/560671795.db2.gz KSMZIZMHSIQRQS-MAEDJNRBSA-O 1 0 406.412 2.981 40 0 HFABRO O=C(NCCC[NH+]1CCCCC1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 ZINC000216252690 568463806 /nfs/dbraw/zinc/46/38/06/568463806.db2.gz JCOJDCRDHWIEBI-UHFFFAOYSA-N 1 0 407.580 2.608 40 0 HFABRO CCCC(=O)N[C@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@H]1C[NH+](C)C ZINC000057773613 568497666 /nfs/dbraw/zinc/49/76/66/568497666.db2.gz PHWFXJBBPYKLBM-FGZHOGPDSA-N 1 0 423.557 2.865 40 0 HFABRO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1CCC[NH+]1CCOCC1 ZINC000222733721 568524990 /nfs/dbraw/zinc/52/49/90/568524990.db2.gz UEUOPSCTQTVPMR-LEWJYISDSA-N 1 0 413.591 2.825 40 0 HFABRO C[NH+](C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1Cc1cccnc1 ZINC000223260815 568543110 /nfs/dbraw/zinc/54/31/10/568543110.db2.gz LKZZYBJLOSNISL-LEWJYISDSA-N 1 0 406.559 2.861 40 0 HFABRO Cc1ccc(C(=O)NC2CC[NH+](C)CC2)cc1N(C)S(=O)(=O)c1ccccc1 ZINC000224302172 568577168 /nfs/dbraw/zinc/57/71/68/568577168.db2.gz JZKYEGDFCRRZIW-UHFFFAOYSA-N 1 0 401.532 2.644 40 0 HFABRO COC(=O)c1cc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCC2)ccc1C ZINC000224801102 568597406 /nfs/dbraw/zinc/59/74/06/568597406.db2.gz FYCBEHZEHKTVMG-UHFFFAOYSA-N 1 0 402.516 2.856 40 0 HFABRO CC[NH+](CC)Cc1ccc(NS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1 ZINC000225085195 568613267 /nfs/dbraw/zinc/61/32/67/568613267.db2.gz LNWZYHBWANBFKA-UHFFFAOYSA-N 1 0 415.515 2.983 40 0 HFABRO CC(C)n1cc(C[NH+]2CCC3(C[C@H](CNS(=O)(=O)c4ccccc4)O3)CC2)cn1 ZINC000247995413 568747025 /nfs/dbraw/zinc/74/70/25/568747025.db2.gz MGPNAEDXEOMMCI-LJQANCHMSA-N 1 0 418.563 2.566 40 0 HFABRO C[NH+](C)CC(=O)N1CC[C@H](Oc2cccc(Cl)c2)[C@@H](CC(=O)N2CCCCC2)C1 ZINC000257249089 568790151 /nfs/dbraw/zinc/79/01/51/568790151.db2.gz JGUCAXBLVCUXLH-PXNSSMCTSA-N 1 0 421.969 2.900 40 0 HFABRO Cc1ccccc1C[N@@H+]1CC[C@H](c2nc(C)c(CC(=O)N3CCOCC3)c(C)n2)C1 ZINC000257272127 568796119 /nfs/dbraw/zinc/79/61/19/568796119.db2.gz NBESLVYGJWBEHV-NRFANRHFSA-N 1 0 408.546 2.793 40 0 HFABRO Cc1ccc(NC(=O)CN2CCC3(CC2)CCC(C)(C)N(S(C)(=O)=O)C3)cc1 ZINC000257312845 568807869 /nfs/dbraw/zinc/80/78/69/568807869.db2.gz UPUKOKHOSNRRHP-UHFFFAOYSA-N 1 0 407.580 2.850 40 0 HFABRO O=C(NCc1ccccc1)c1nnc2n1C[C@H]1C[N@@H+](Cc3cccc(F)c3)C[C@@H]1C2 ZINC000306125481 568888390 /nfs/dbraw/zinc/88/83/90/568888390.db2.gz CSFQLXMSXQGMIU-RBUKOAKNSA-N 1 0 405.477 2.652 40 0 HFABRO CN1C[C@H](C(=O)NCc2cccs2)OC2(CC[NH+](Cc3ccsc3)CC2)C1 ZINC000306127245 568889940 /nfs/dbraw/zinc/88/99/40/568889940.db2.gz FTAANNXCOPCTMZ-GOSISDBHSA-N 1 0 405.589 2.791 40 0 HFABRO O=C1N(Cc2ccncc2)CCO[C@@]12C[N@H+](Cc1ccsc1)C[C@H]2c1cccnc1 ZINC000306127326 568889954 /nfs/dbraw/zinc/88/99/54/568889954.db2.gz FVSMCYSPJBBRCU-JTHBVZDNSA-N 1 0 420.538 2.935 40 0 HFABRO O=c1c(-c2ccccc2)nnc2n1CC[C@]21CC[N@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000306129033 568891655 /nfs/dbraw/zinc/89/16/55/568891655.db2.gz HRXMZVZVIGNGHZ-QHCPKHFHSA-N 1 0 402.454 2.581 40 0 HFABRO CC(C)(C)CC(=O)N1c2ccccc2S(=O)(=O)N[C@@H]2C[N@H+](C3CCCC3)C[C@@H]21 ZINC000306130006 568892359 /nfs/dbraw/zinc/89/23/59/568892359.db2.gz ITXXCIRELWDURS-AEFFLSMTSA-N 1 0 405.564 2.743 40 0 HFABRO CC(C)(C)CC(=O)N1c2ccccc2S(=O)(=O)N[C@H]2C[N@H+](C3CCCC3)C[C@@H]21 ZINC000306130009 568892375 /nfs/dbraw/zinc/89/23/75/568892375.db2.gz ITXXCIRELWDURS-WMZOPIPTSA-N 1 0 405.564 2.743 40 0 HFABRO O=c1c(=O)n(CC2CCCCC2)nc2n1C[C@@H]1CC[N@@H+](Cc3cccc(F)c3)C[C@@H]21 ZINC000306133112 568895330 /nfs/dbraw/zinc/89/53/30/568895330.db2.gz MCLXMTMHDRCKGG-AZUAARDMSA-N 1 0 412.509 2.744 40 0 HFABRO Cc1cccc(C[NH+]2CCC3(CCc4nnc(C(=O)NC5CCCC5)n4C3)CC2)n1 ZINC000306136748 568898690 /nfs/dbraw/zinc/89/86/90/568898690.db2.gz QCFKFRSUSKWRPN-UHFFFAOYSA-N 1 0 408.550 2.883 40 0 HFABRO COc1cccc(C[N@H+]2C[C@@H]3Cc4nnc(C(=O)Nc5ccccc5)n4C[C@H]3C2)c1 ZINC000306142009 568903478 /nfs/dbraw/zinc/90/34/78/568903478.db2.gz WMQCXBBSUCTVOW-ZWKOTPCHSA-N 1 0 403.486 2.843 40 0 HFABRO Cn1nccc1[C@@H]1C[N@H+](Cc2ccoc2)C[C@]12CCCN(Cc1ccncc1)C2=O ZINC000306144520 568905873 /nfs/dbraw/zinc/90/58/73/568905873.db2.gz ZHQGQEMWNUGERY-NZQKXSOJSA-N 1 0 405.502 2.817 40 0 HFABRO CCOC(=O)[C@@]1(C[NH3+])[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218655319 568908608 /nfs/dbraw/zinc/90/86/08/568908608.db2.gz VYIBRQWTSZPVGD-LNLFQRSKSA-N 1 0 411.882 2.927 40 0 HFABRO COC[C@]1(C[NH3+])[C@@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218181334 568927279 /nfs/dbraw/zinc/92/72/79/568927279.db2.gz XBFJYMNVCOJWGZ-GBESFXJTSA-N 1 0 409.891 2.600 40 0 HFABRO C[NH+](C)CCNc1nc(Nc2cccc(Br)c2)cc(C(F)(F)F)n1 ZINC000328961039 568969835 /nfs/dbraw/zinc/96/98/35/568969835.db2.gz BAGKHYXLQKCBTL-UHFFFAOYSA-N 1 0 404.234 2.819 40 0 HFABRO C[NH+](C)CCNc1nc(Nc2ccccc2I)cc(C2CC2)n1 ZINC000329072208 568976021 /nfs/dbraw/zinc/97/60/21/568976021.db2.gz ZVZOCKRCCNUCQT-UHFFFAOYSA-N 1 0 423.302 2.520 40 0 HFABRO O=C(c1ccc(Cl)cc1Cl)N1CCN(c2cc(N3CCOCC3)cn[nH+]2)CC1 ZINC000224318401 569057140 /nfs/dbraw/zinc/05/71/40/569057140.db2.gz BZTWAJHKELEORN-UHFFFAOYSA-N 1 0 422.316 2.582 40 0 HFABRO O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000257198495 569058995 /nfs/dbraw/zinc/05/89/95/569058995.db2.gz APOCTQBTQNWTOI-SRWPTAKMSA-N 1 0 418.541 2.887 40 0 HFABRO CCCOC(=O)c1cc(N(C)C(=O)C(F)(F)F)ccc1N1CC[NH+](CC)CC1 ZINC000226278004 569279048 /nfs/dbraw/zinc/27/90/48/569279048.db2.gz QISDSSKZJZEDPC-UHFFFAOYSA-N 1 0 401.429 2.920 40 0 HFABRO C[C@@]12CC[C@@H](C[C@@H]1C(=O)N1CC[N@@H+]3CCC[C@H]3C1)[C@]1(C2)Nc2ccccc2C(=O)N1 ZINC000253595471 569318354 /nfs/dbraw/zinc/31/83/54/569318354.db2.gz FAOJJDMFNZOAEQ-JCJMJZECSA-N 1 0 408.546 2.671 40 0 HFABRO CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCCCCC1)c1cccc2ccccc21 ZINC000010111181 569342795 /nfs/dbraw/zinc/34/27/95/569342795.db2.gz RXECEOYLBKSGSY-UHFFFAOYSA-N 1 0 417.575 2.988 40 0 HFABRO Cc1ccc(N(Cc2ccc(C(=O)NCCC[NH+](C)C)cc2)S(C)(=O)=O)cc1C ZINC000010111417 569342857 /nfs/dbraw/zinc/34/28/57/569342857.db2.gz PXVNBLMASBQOBD-UHFFFAOYSA-N 1 0 417.575 2.951 40 0 HFABRO COc1ccc(C[N@@H+]2CCC[C@@H](c3nn(CCNC(C)=O)c4ncccc34)C2)cc1 ZINC000012219510 569344793 /nfs/dbraw/zinc/34/47/93/569344793.db2.gz MMYJKOGRKBDAMY-LJQANCHMSA-N 1 0 407.518 2.956 40 0 HFABRO O=C(C[N@@H+]1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CC[C@@H](c2ccccc2)C1 ZINC000019369965 569345392 /nfs/dbraw/zinc/34/53/92/569345392.db2.gz OJNQMSQXNKPZBC-NHCUHLMSSA-N 1 0 420.557 2.775 40 0 HFABRO Fc1cccc([C@@H](c2nnnn2CCc2ccccc2)N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000022863279 569349823 /nfs/dbraw/zinc/34/98/23/569349823.db2.gz ZCBOEVSHBCJLLB-VXKWHMMOSA-N 1 0 406.509 2.924 40 0 HFABRO CC(C)(C)OC(=O)N[C@@]1(C[NH3+])[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000252514722 569387913 /nfs/dbraw/zinc/38/79/13/569387913.db2.gz CYPPSCAOSORZEQ-DBXWQHBBSA-N 1 0 402.516 2.849 40 0 HFABRO COc1cc(Br)c2c3c1O[C@H]1C4(CC[C@H]5[C@@H](C2)[N@@H+](C)CC[C@]315)OCCO4 ZINC000096316250 291222944 /nfs/dbraw/zinc/22/29/44/291222944.db2.gz ZABOYUCAGYOXEK-BXOLDHOESA-N 1 0 422.319 2.870 40 0 biogenic,in-vitro HFABRO Cc1ccc(CN2CC[C@@H]3[C@H]2C(=O)NC[C@H](CCC(=O)Nc2ccccc2)[N@@H+]3C)cc1 ZINC000035442481 291227009 /nfs/dbraw/zinc/22/70/09/291227009.db2.gz XNRWCKWYMGDFDL-ZDXQCDESSA-N 1 0 420.557 2.787 40 0 biogenic,in-vitro HFABRO OC1(c2csc(CN3CCOCC3)n2)CC[NH+](C2CCC(F)(F)CC2)CC1 ZINC000225424170 291230248 /nfs/dbraw/zinc/23/02/48/291230248.db2.gz HWNNLMKJZCUWEJ-UHFFFAOYSA-N 1 0 401.523 2.837 40 0 biogenic,in-vitro HFABRO C[NH+](C)CCOc1ccc(NC(=O)C2(C)COC(c3ccc(F)cc3)OC2)cn1 ZINC000225920019 521799201 /nfs/dbraw/zinc/79/92/01/521799201.db2.gz HXJVPYQCUUPBMV-UHFFFAOYSA-N 1 0 403.454 2.852 40 0 HFABRO Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1NS(C)(=O)=O ZINC000043523486 526185079 /nfs/dbraw/zinc/18/50/79/526185079.db2.gz DMUREDWAOVHMOZ-UHFFFAOYSA-N 1 0 401.532 2.892 40 0 HFABRO COc1ccc2c(c1)C[C@@H](C[NH+]1CCC3(CC1)C(=O)N(C)CN3c1ccccc1)O2 ZINC000005010828 557625404 /nfs/dbraw/zinc/62/54/04/557625404.db2.gz ZGSMDYBKPSCIDB-NRFANRHFSA-N 1 0 407.514 2.769 40 0 HFABRO CC(C)(C)C1=NN(CC(=O)N[C@H]2C[NH+]3CCC2CC3)C(=O)c2cc3ccccc3n2C1 ZINC000012145906 558337391 /nfs/dbraw/zinc/33/73/91/558337391.db2.gz KUZGUDYCRJTTDK-SFHVURJKSA-N 1 0 421.545 2.710 40 0 HFABRO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)N2CCC(c3cc(=O)n4c(n3)CCCCC4)CC2)C1 ZINC000012235894 558358807 /nfs/dbraw/zinc/35/88/07/558358807.db2.gz WXEGXCOVYOMXLN-HDICACEKSA-N 1 0 400.567 2.654 40 0 HFABRO Cn1c2ccc(S(=O)(=O)N3CCCC[C@@H]3C[NH+]3CCCCC3)cc2sc1=O ZINC000012239401 558359914 /nfs/dbraw/zinc/35/99/14/558359914.db2.gz RXQKHUWVNACGRI-OAHLLOKOSA-N 1 0 409.577 2.629 40 0 HFABRO O[C@H](C[NH+]1CCC2(CC1)C[C@@H](O)c1cc(F)ccc1O2)c1ccc2c(c1)OCCO2 ZINC000012293396 558366566 /nfs/dbraw/zinc/36/65/66/558366566.db2.gz INNDAAZLJNCFMP-RTBURBONSA-N 1 0 415.461 2.981 40 0 HFABRO CCOC(=O)C1=C(O)NC(N2CCN(c3ccccc3)CC2)=[NH+][C@H]1c1cccc(C)c1 ZINC000020801413 558415298 /nfs/dbraw/zinc/41/52/98/558415298.db2.gz OHRMUNGSBUFMIO-SFTDATJTSA-N 1 0 420.513 2.523 40 0 HFABRO Cc1cc(Cl)ccc1N(CC(=O)NCCC[NH+]1CCCCCC1)S(C)(=O)=O ZINC000013612633 558548974 /nfs/dbraw/zinc/54/89/74/558548974.db2.gz AVUKRZJJWGAPDA-UHFFFAOYSA-N 1 0 415.987 2.797 40 0 HFABRO Cc1ccccc1N(CC(=O)NCCC[NH+](C)C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000013646745 558557025 /nfs/dbraw/zinc/55/70/25/558557025.db2.gz PBVJFYURSNMEFQ-UHFFFAOYSA-N 1 0 423.966 2.912 40 0 HFABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+](C)C)c2cc(C)cc(C)c2)cc1 ZINC000013667956 558560213 /nfs/dbraw/zinc/56/02/13/558560213.db2.gz XYGZEWCYCPQVJI-UHFFFAOYSA-N 1 0 417.575 2.875 40 0 HFABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+](C)C)c2ccc(C)c(C)c2)cc1 ZINC000013670587 558561997 /nfs/dbraw/zinc/56/19/97/558561997.db2.gz IZUVYZCSVWGXHV-UHFFFAOYSA-N 1 0 417.575 2.875 40 0 HFABRO O=c1cc(C2CC[NH+](Cc3[nH]nnc3-c3ccccc3)CC2)nc(-c2ccccn2)[nH]1 ZINC000072392855 558809154 /nfs/dbraw/zinc/80/91/54/558809154.db2.gz FPDUSKWLJCMDLA-UHFFFAOYSA-N 1 0 413.485 2.997 40 0 HFABRO C[C@H](C(=O)N1CCNC(=O)[C@H](Cc2ccccc2-c2ccncc2)C1)[NH+]1CCCCC1 ZINC000019079212 558838875 /nfs/dbraw/zinc/83/88/75/558838875.db2.gz GLVGSWVHYNAPSC-DENIHFKCSA-N 1 0 420.557 2.740 40 0 HFABRO CN(CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)S(=O)(=O)c1ccccc1 ZINC000046455670 558840440 /nfs/dbraw/zinc/84/04/40/558840440.db2.gz GGLGGTHFPZSUTM-UHFFFAOYSA-N 1 0 415.559 2.609 40 0 HFABRO CC(C)C(=O)N1CCC[C@H](c2nc3c(c(=O)[nH]2)C[N@H+](Cc2cccs2)CC3)C1 ZINC000019085540 558841263 /nfs/dbraw/zinc/84/12/63/558841263.db2.gz UKWYNURFYBUWIP-HNNXBMFYSA-N 1 0 400.548 2.752 40 0 HFABRO O=C(NCCC[NH+]1CCCCCC1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000053271638 558863148 /nfs/dbraw/zinc/86/31/48/558863148.db2.gz VMPSYGIPCKWBQD-QGZVFWFLSA-N 1 0 413.609 2.531 40 0 HFABRO Cn1ccnc1CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019291513 558863828 /nfs/dbraw/zinc/86/38/28/558863828.db2.gz QZMBDJRPLADFSZ-NHCUHLMSSA-N 1 0 420.488 2.807 40 0 HFABRO Clc1nnc2c(C[N@H+](CCCN3CCOCC3)Cc3cccnc3)c[nH]cc1-2 ZINC000019338618 558870856 /nfs/dbraw/zinc/87/08/56/558870856.db2.gz ICPXLKXOBKTMLB-UHFFFAOYSA-N 1 0 400.914 2.731 40 0 HFABRO O=C(C1CCC1)N1CCC[C@H](c2nc3c(c(=O)[nH]2)C[N@H+](Cc2cccs2)CC3)C1 ZINC000019343596 558872527 /nfs/dbraw/zinc/87/25/27/558872527.db2.gz QHQZHQZGVRGQGY-INIZCTEOSA-N 1 0 412.559 2.896 40 0 HFABRO O=C(c1ccccc1F)N1CC[C@H](c2nc3c(c(=O)[nH]2)C[N@@H+](C2CCCC2)CC3)C1 ZINC000019347449 558873785 /nfs/dbraw/zinc/87/37/85/558873785.db2.gz CXYWMOJEWXUCLT-HNNXBMFYSA-N 1 0 410.493 2.839 40 0 HFABRO c1cc(-c2cnc(N3CCOCC3)nc2[C@@H]2CCC[N@@H+](C[C@@H]3CCOC3)C2)ccn1 ZINC000019405687 558884915 /nfs/dbraw/zinc/88/49/15/558884915.db2.gz BYXODLRNBQEJRG-AZUAARDMSA-N 1 0 409.534 2.591 40 0 HFABRO CC(C)[N@@H+]1CCc2nc([C@H]3CCCN3C(=O)Cc3cc(F)ccc3F)[nH]c(=O)c2C1 ZINC000019448247 558886973 /nfs/dbraw/zinc/88/69/73/558886973.db2.gz RHYIUWJFZMMBFT-LJQANCHMSA-N 1 0 416.472 2.721 40 0 HFABRO C[C@@H](Cn1cccn1)C(=O)NC1CC[NH+](Cc2cc(-c3ccccc3F)nn2C)CC1 ZINC000019457654 558892234 /nfs/dbraw/zinc/89/22/34/558892234.db2.gz BTWVORHVFOAOIT-KRWDZBQOSA-N 1 0 424.524 2.840 40 0 HFABRO COc1cccc([C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H](C)C3)C[C@H]2c2csnn2)c1 ZINC000019496516 558895369 /nfs/dbraw/zinc/89/53/69/558895369.db2.gz NAZPZOUSOUPIMV-AYOQOUSVSA-N 1 0 400.548 2.988 40 0 HFABRO CC1CC[NH+](CC(=O)N2CCC(c3nc(-c4nccs4)cc(=O)[nH]3)CC2)CC1 ZINC000019496863 558895644 /nfs/dbraw/zinc/89/56/44/558895644.db2.gz VBUULGSZMNQYIC-UHFFFAOYSA-N 1 0 401.536 2.744 40 0 HFABRO CCCC(=O)N1CC[C@@H](c2nc3c(c(=O)[nH]2)C[N@H+](Cc2ccc(OC)cc2)CC3)C1 ZINC000019501122 558899089 /nfs/dbraw/zinc/89/90/89/558899089.db2.gz COURLMFQLYVQTR-QGZVFWFLSA-N 1 0 410.518 2.865 40 0 HFABRO COc1cc(C[N@@H+]2CC[C@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)cc(OC)c1OC ZINC000019549680 558914351 /nfs/dbraw/zinc/91/43/51/558914351.db2.gz ZMNUOPXOPGGOGF-KRWDZBQOSA-N 1 0 422.485 2.847 40 0 HFABRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cn(CC(=O)NC[C@@H]2CCCO2)c2ccccc12 ZINC000019575190 558932586 /nfs/dbraw/zinc/93/25/86/558932586.db2.gz ZTQDARNKWLARFX-GIVPXCGWSA-N 1 0 410.562 2.605 40 0 HFABRO C[C@]12CC[C@H](C[C@@H]1C(=O)N1CC[N@@H+]3CCC[C@@H]3C1)[C@@]1(C2)Nc2ccccc2C(=O)N1 ZINC000072326512 558933500 /nfs/dbraw/zinc/93/35/00/558933500.db2.gz FAOJJDMFNZOAEQ-PKAOZNQDSA-N 1 0 408.546 2.671 40 0 HFABRO Cc1n[nH]c(C)c1CC(=O)NC1CC[NH+](Cc2cc(-c3ccc(F)cc3)nn2C)CC1 ZINC000019578804 558934322 /nfs/dbraw/zinc/93/43/22/558934322.db2.gz MYJOUMHCQHLZKF-UHFFFAOYSA-N 1 0 424.524 2.889 40 0 HFABRO COC(=O)[C@]1(Cc2nccc(OC)c2OC)C(=O)C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1 ZINC000072340271 558939013 /nfs/dbraw/zinc/93/90/13/558939013.db2.gz CYXIUZNNVMXCHK-YQOVMPOYSA-N 1 0 424.497 2.807 40 0 HFABRO C[NH+]1CCC(C(=O)N2CCC[C@@H](c3cccc(-c4cccc(C(N)=O)c4)n3)C2)CC1 ZINC000072350389 558947378 /nfs/dbraw/zinc/94/73/78/558947378.db2.gz YJYVPXRWHXZWLE-HXUWFJFHSA-N 1 0 406.530 2.895 40 0 HFABRO CCn1nc([C@H](C)C(=O)Nc2ccnn2C2CC[NH+](C)CC2)c2ccccc2c1=O ZINC000019660552 558951807 /nfs/dbraw/zinc/95/18/07/558951807.db2.gz RUJIBYDOQNQHFC-HNNXBMFYSA-N 1 0 408.506 2.622 40 0 HFABRO C[NH+]1CCC(n2nccc2NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1 ZINC000019665516 558955636 /nfs/dbraw/zinc/95/56/36/558955636.db2.gz MXFKDEGSKDKBKV-CQSZACIVSA-N 1 0 401.898 2.795 40 0 HFABRO CC(=O)N1CCc2nc([C@@H]3CCC[N@H+](C)C3)nc(N(C)CCc3ccccc3)c2C1 ZINC000019711413 558973644 /nfs/dbraw/zinc/97/36/44/558973644.db2.gz RPHKITMWZYSZFZ-HXUWFJFHSA-N 1 0 407.562 2.869 40 0 HFABRO CCCn1cc(C[N@@H+]2C[C@H](NC(C)=O)[C@@H](c3cn(C)c4ccc(OC)cc34)C2)cn1 ZINC000072395734 558974797 /nfs/dbraw/zinc/97/47/97/558974797.db2.gz OYSDWPNLMOMXSM-YADHBBJMSA-N 1 0 409.534 2.898 40 0 HFABRO O=C(C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21)N1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000257220348 558990556 /nfs/dbraw/zinc/99/05/56/558990556.db2.gz DKMFOTAVDJZKEB-ZJOUEHCJSA-N 1 0 412.578 2.940 40 0 HFABRO COC[C@H]1CC2(C[N@@H+]1Cc1cccnc1)CCN(C(=O)c1csc(C)n1)CC2 ZINC000585103484 559026666 /nfs/dbraw/zinc/02/66/66/559026666.db2.gz GYDOQOCNTNRFKG-GOSISDBHSA-N 1 0 400.548 2.990 40 0 HFABRO O=C(Cc1ccc(F)cc1)N1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](CC3CCCC3)C[C@@H]12 ZINC000585106327 559028693 /nfs/dbraw/zinc/02/86/93/559028693.db2.gz VAQLKVKARRRHHG-RTWAWAEBSA-N 1 0 413.537 2.597 40 0 HFABRO COc1ccc2c(c1OC)C(=O)CO[C@@H]2[C@@H]1[NH2+]CCc2cc3c(c(OC)c21)OCO3 ZINC000095470476 559081178 /nfs/dbraw/zinc/08/11/78/559081178.db2.gz VYZHNAJGVHAHLI-MOPGFXCFSA-N 1 0 413.426 2.582 40 0 HFABRO C[N@@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CCN(C(=O)c1ccsc1)CC3 ZINC000096036306 559090017 /nfs/dbraw/zinc/09/00/17/559090017.db2.gz DOHOGOANCGPGCS-PGRDOPGGSA-N 1 0 401.576 2.935 40 0 HFABRO COc1ccc(C[NH+]2CCC3(CC2)O[C@H](C(=O)NCC(C)C)Cn2ccnc23)cc1 ZINC000096036777 559090675 /nfs/dbraw/zinc/09/06/75/559090675.db2.gz CFJISCLQHTYFNY-FQEVSTJZSA-N 1 0 412.534 2.554 40 0 HFABRO C[NH+](C)C1CCN(C(=O)C2=NO[C@]3(CCN(Cc4ccc(Cl)c(F)c4)C3)C2)CC1 ZINC000096225684 559102459 /nfs/dbraw/zinc/10/24/59/559102459.db2.gz SVQDNNBTNMAILX-OAQYLSRUSA-N 1 0 422.932 2.753 40 0 HFABRO Cc1oncc1C(=O)N1Cc2ccccc2C2(CC[NH+](Cc3cnn(C)c3)CC2)C1 ZINC000096242581 559104122 /nfs/dbraw/zinc/10/41/22/559104122.db2.gz IXUMMAWUVBPYCO-UHFFFAOYSA-N 1 0 405.502 2.906 40 0 HFABRO CN1C(=O)[C@H]2CN(c3ncccn3)C[C@H]2C12CC[NH+](Cc1ccc(Cl)cc1)CC2 ZINC000096262250 559106339 /nfs/dbraw/zinc/10/63/39/559106339.db2.gz HAAQOJXINXSRDS-RBUKOAKNSA-N 1 0 411.937 2.689 40 0 HFABRO Cc1nccn1C[C@]1(O)CN(C(=O)c2ccccc2Nc2ccccc2)CC[N@@H+](C)C1 ZINC000585261737 559109359 /nfs/dbraw/zinc/10/93/59/559109359.db2.gz CYJNCOJUDQTCME-DEOSSOPVSA-N 1 0 419.529 2.754 40 0 HFABRO COc1ccc(C[N@H+](C)[C@@H]2[C@@H](O)[C@H](Oc3ccccc3Cl)C[C@H]2NC(C)=O)cc1 ZINC000585262279 559110758 /nfs/dbraw/zinc/11/07/58/559110758.db2.gz VCIIOBDIQKESLV-YJMBLLCNSA-N 1 0 418.921 2.866 40 0 HFABRO COc1cc(C[N@H+](C)C[C@H](O)c2ccccc2)ccc1OCCN1CCOCC1 ZINC000585272008 559117836 /nfs/dbraw/zinc/11/78/36/559117836.db2.gz IJRNUSRQNVBAGS-NRFANRHFSA-N 1 0 400.519 2.572 40 0 HFABRO Cc1cccc(C[NH2+]C[C@@]2(O)CN(C(=O)c3ccc(Cl)cc3)CC[C@@H]2O)c1C ZINC000585286093 559121794 /nfs/dbraw/zinc/12/17/94/559121794.db2.gz VOBLUHPHSKJYLC-RBBKRZOGSA-N 1 0 402.922 2.685 40 0 HFABRO O=C(c1ccc(Cl)cc1)N1CC[C@H](O)[C@@](O)(C[NH2+]CCCc2ccccc2)C1 ZINC000585286242 559121812 /nfs/dbraw/zinc/12/18/12/559121812.db2.gz YCMRPQMZAFGILK-RBBKRZOGSA-N 1 0 402.922 2.500 40 0 HFABRO O=C(Cc1ccc(Cl)cc1)N1CC[C@](O)(C[NH2+]Cc2ccccc2Cl)[C@@H](O)C1 ZINC000585286236 559121868 /nfs/dbraw/zinc/12/18/68/559121868.db2.gz YCFLENXICKJSKT-FPOVZHCZSA-N 1 0 423.340 2.650 40 0 HFABRO CCN1CC[C@@]2(CN(c3ncccn3)CC23CC[NH+](Cc2cccs2)CC3)C1=O ZINC000097952888 559125046 /nfs/dbraw/zinc/12/50/46/559125046.db2.gz YUOPLDMCIKVXRD-JOCHJYFZSA-N 1 0 411.575 2.879 40 0 HFABRO OC[C@@H]1[C@@H](O)[C@@H](O)[C@H](Cc2ccccc2)[N@@H+]1Cc1cccc(Oc2ccccc2)c1 ZINC000585294752 559137750 /nfs/dbraw/zinc/13/77/50/559137750.db2.gz JEFJXUBHFDPGMS-FQUZAXHOSA-N 1 0 405.494 2.989 40 0 HFABRO O[C@]1(CN2CCN(c3ccccc3)CC2)CC[N@H+](Cc2ccc(OCCF)cc2)C1 ZINC000257310763 559286187 /nfs/dbraw/zinc/28/61/87/559286187.db2.gz UGLFTBVNKQKYPE-DEOSSOPVSA-N 1 0 413.537 2.794 40 0 HFABRO COc1ccc(N2C(=O)C[C@@H]([NH2+]CCc3ccc(OC)c(OC)c3)C2=O)cc1Cl ZINC000000710581 560554508 /nfs/dbraw/zinc/55/45/08/560554508.db2.gz XJVPHMZQKBFSHW-MRXNPFEDSA-N 1 0 418.877 2.830 40 0 HFABRO Cc1ccc(C)c2[nH]c(=O)c(CN(CC[NH+](C)C)C(=S)NC[C@H]3CCCO3)cc12 ZINC000004133522 560600644 /nfs/dbraw/zinc/60/06/44/560600644.db2.gz KVCKBTNSHDZVIV-GOSISDBHSA-N 1 0 416.591 2.562 40 0 HFABRO COc1ccc2cc(CN(CC[NH+](C)C)C(=S)NCc3ccccc3)c(=O)[nH]c2c1 ZINC000004133617 560600650 /nfs/dbraw/zinc/60/06/50/560600650.db2.gz AMCONDWEZABLIN-UHFFFAOYSA-N 1 0 424.570 2.975 40 0 HFABRO CCn1c2ccccc2nc1N1CCN(C(=S)NCCC[NH+](CC)CC)CC1 ZINC000012481410 560780682 /nfs/dbraw/zinc/78/06/82/560780682.db2.gz SGZMPXWZZZYHHJ-UHFFFAOYSA-N 1 0 402.612 2.785 40 0 HFABRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2cccc(N3CCCCS3(=O)=O)c2)C1 ZINC000260565512 560795703 /nfs/dbraw/zinc/79/57/03/560795703.db2.gz PAMJTFLPFIWXLF-ROUUACIJSA-N 1 0 407.580 2.714 40 0 HFABRO CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](CCSC)[NH2+][C@]21C(=O)Nc2ccc(Cl)cc21 ZINC000013573144 560814540 /nfs/dbraw/zinc/81/45/40/560814540.db2.gz QISVXPODGKNSJE-CVCAGPEBSA-N 1 0 421.950 2.612 40 0 HFABRO CCN1c2ccccc2[C@]2(N=C(Nc3cccc(C(F)(F)F)c3)NC(=[NH2+])N2)C1=O ZINC000019332700 560872716 /nfs/dbraw/zinc/87/27/16/560872716.db2.gz GXTZUHGUCGIZMU-SFHVURJKSA-N 1 0 402.380 2.611 40 0 HFABRO COc1ccc(Cn2nnnc2[C@@H](c2ccc(C)cc2)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000020098559 560880498 /nfs/dbraw/zinc/88/04/98/560880498.db2.gz YDHNHBFVZHYVEZ-FYYLOGMGSA-N 1 0 418.545 2.908 40 0 HFABRO O[C@@H](COCc1ccc2c(c1)OCO2)C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000022030593 560890838 /nfs/dbraw/zinc/89/08/38/560890838.db2.gz CHCRSNLJTSQFRK-HXUWFJFHSA-N 1 0 418.921 2.764 40 0 HFABRO CC[C@H](C(=O)NC1CC[NH+](C)CC1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000220689863 568508487 /nfs/dbraw/zinc/50/84/87/568508487.db2.gz RCGRNZIGRWYPSQ-OAHLLOKOSA-N 1 0 422.378 2.748 40 0 HFABRO COC(=O)CSc1nnc(NC(=O)C2CC[NH+](Cc3ccccc3C)CC2)s1 ZINC000222827389 568527592 /nfs/dbraw/zinc/52/75/92/568527592.db2.gz HLOXRGBQCFKVME-UHFFFAOYSA-N 1 0 420.560 2.962 40 0 HFABRO c1ccc(C[N@@H+]2CCCN(c3nc4c(c(N5CCOCC5)n3)CCCC4)CC2)cc1 ZINC000026456238 568549670 /nfs/dbraw/zinc/54/96/70/568549670.db2.gz ZWEABKOBBNJTJB-UHFFFAOYSA-N 1 0 407.562 2.904 40 0 HFABRO CC[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 ZINC000223685605 568556199 /nfs/dbraw/zinc/55/61/99/568556199.db2.gz HPMQOKBURCNNPO-LJQANCHMSA-N 1 0 419.591 2.919 40 0 HFABRO CN(c1ccc(Cl)c(C(=O)N2CCN(C)CC2)c1)S(=O)(=O)c1ccccc1 ZINC000224334260 568578187 /nfs/dbraw/zinc/57/81/87/568578187.db2.gz YACUITDSBLNIDC-UHFFFAOYSA-N 1 0 407.923 2.553 40 0 HFABRO CCN1CCN(C(=O)c2ccc(CN(C)S(=O)(=O)c3ccc(C)cc3)cc2)CC1 ZINC000224425612 568580876 /nfs/dbraw/zinc/58/08/76/568580876.db2.gz MIZHLZRJKZBIFU-UHFFFAOYSA-N 1 0 415.559 2.593 40 0 HFABRO CCS(=O)(=O)N(C)c1ccc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000224609891 568587817 /nfs/dbraw/zinc/58/78/17/568587817.db2.gz QHJMCGWTFJYEGM-UHFFFAOYSA-N 1 0 415.559 2.998 40 0 HFABRO Cc1c(NS(C)(=O)=O)cccc1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224612340 568588065 /nfs/dbraw/zinc/58/80/65/568588065.db2.gz ZWMALBBHUZXIRM-UHFFFAOYSA-N 1 0 401.532 2.892 40 0 HFABRO CCc1nnc(Nc2cc(C)nc([C@@H]3CN(C(=O)C[NH+]4CCCC4)CCO3)c2)s1 ZINC000257210054 568778925 /nfs/dbraw/zinc/77/89/25/568778925.db2.gz BSYANGRNUVKOLD-KRWDZBQOSA-N 1 0 416.551 2.543 40 0 HFABRO CC(=O)N1C[C@H](c2ccccc2)[C@H]2CN(C(=O)c3ccc(OCCC[NH3+])cc3)CC[C@H]21 ZINC000257210598 568779234 /nfs/dbraw/zinc/77/92/34/568779234.db2.gz BVIBJRRNSCBQPF-WXFUMESZSA-N 1 0 421.541 2.891 40 0 HFABRO Cc1ccc(=O)n(CC(=O)N2CC[C@@H](c3cc(Nc4ccc(F)cn4)cc(C)[nH+]3)C2)n1 ZINC000257233151 568785584 /nfs/dbraw/zinc/78/55/84/568785584.db2.gz GOALKWLTLDHVFM-MRXNPFEDSA-N 1 0 422.464 2.549 40 0 HFABRO Cc1ncccc1C(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[NH+]1CCCCC1 ZINC000257234734 568786172 /nfs/dbraw/zinc/78/61/72/568786172.db2.gz GUWPPRJEOXPOBN-CZYKHXBRSA-N 1 0 413.493 2.694 40 0 HFABRO Cc1nccc(C(=O)NC[C@@]2(c3ccccc3)CC[C@H](O)[C@@H]([NH+]3CCCC3)CC2)n1 ZINC000257239978 568787458 /nfs/dbraw/zinc/78/74/58/568787458.db2.gz HRQCTHGROUAKEP-FIXSFTCYSA-N 1 0 408.546 2.852 40 0 HFABRO Cc1cc(Nc2ccc(F)cn2)cc([C@H]2CCN(S(=O)(=O)N3CCCC3)C2)[nH+]1 ZINC000257251634 568790699 /nfs/dbraw/zinc/79/06/99/568790699.db2.gz JRNUSEGPHGQJPL-HNNXBMFYSA-N 1 0 405.499 2.798 40 0 HFABRO CN1CCN(C(=O)c2ccccc2OCCN2CCCC2=O)C[C@H]1c1ccccc1 ZINC000257317198 568809487 /nfs/dbraw/zinc/80/94/87/568809487.db2.gz VITAHNPNSMNNQG-NRFANRHFSA-N 1 0 407.514 2.817 40 0 HFABRO O=C(c1ccc2c(c1)OCO2)N1CCO[C@@]2(CCCC[C@@H]2[NH2+]Cc2cccnc2)C1 ZINC000306130000 568892495 /nfs/dbraw/zinc/89/24/95/568892495.db2.gz ITRDMNMLAGMEKL-GMAHTHKFSA-N 1 0 409.486 2.754 40 0 HFABRO COc1ncccc1C[NH+]1CCC2(CC1)CN(C)Cc1nnc(-c3cccs3)n12 ZINC000306132242 568894449 /nfs/dbraw/zinc/89/44/49/568894449.db2.gz LCSLWMWARMKQEW-UHFFFAOYSA-N 1 0 410.547 2.847 40 0 HFABRO Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@@H]2C[N@@H+](Cc4cc(C)cc(C)c4)C[C@@H]32)cc1 ZINC000306132655 568894925 /nfs/dbraw/zinc/89/49/25/568894925.db2.gz LONFCZPWDJXBPI-FCHUYYIVSA-N 1 0 416.525 2.608 40 0 HFABRO CCCNC(=O)c1nnc2n1CC1(CC[NH+](Cc3cc(C)cc(C)c3)CC1)COC2 ZINC000306133937 568896098 /nfs/dbraw/zinc/89/60/98/568896098.db2.gz MZSVVVVSIXLIAW-UHFFFAOYSA-N 1 0 411.550 2.847 40 0 HFABRO CC[C@@H](C)NC(=O)c1nnc2n1CC1(CC[NH+](Cc3ccccc3F)CC1)COC2 ZINC000306136549 568898433 /nfs/dbraw/zinc/89/84/33/568898433.db2.gz PWLMAOHVSHJTRQ-MRXNPFEDSA-N 1 0 415.513 2.758 40 0 HFABRO COc1ccc(-c2nnc3n2C2(CC[NH+](Cc4cccnc4)CC2)CN(C)C3)cc1 ZINC000306137837 568899559 /nfs/dbraw/zinc/89/95/59/568899559.db2.gz RHTJXBADBTWBJN-UHFFFAOYSA-N 1 0 404.518 2.785 40 0 HFABRO O=C1N(Cc2cccnc2)CCO[C@@]12C[N@H+](Cc1cccs1)C[C@H]2c1cccnc1 ZINC000306138238 568900236 /nfs/dbraw/zinc/90/02/36/568900236.db2.gz RSXRIJIMUMDSEM-JTHBVZDNSA-N 1 0 420.538 2.935 40 0 HFABRO Cc1ccc(C[N@@H+]2C[C@@H]3CCn4c(C(=O)NCc5ccc(F)cc5)nnc4[C@H]3C2)o1 ZINC000306138960 568900772 /nfs/dbraw/zinc/90/07/72/568900772.db2.gz SLTKCMBPEBTNIK-LPHOPBHVSA-N 1 0 409.465 2.868 40 0 HFABRO CN1Cc2nnc(-c3ccco3)n2C2(CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000306139925 568901894 /nfs/dbraw/zinc/90/18/94/568901894.db2.gz UEEBJBLMWRVEDJ-UHFFFAOYSA-N 1 0 407.474 2.704 40 0 HFABRO COc1ccc(Nc2cc(-c3ccccn3)nc(NCCC[NH+](C)C)n2)cc1OC ZINC000328955337 568969545 /nfs/dbraw/zinc/96/95/45/568969545.db2.gz ABYWZCJLJRWBQQ-UHFFFAOYSA-N 1 0 408.506 2.507 40 0 HFABRO C[NH+](C)CCNc1nc(Nc2ccccc2Br)cc(-c2ccccn2)n1 ZINC000328958425 568969744 /nfs/dbraw/zinc/96/97/44/568969744.db2.gz ANXPYLAANSZLSV-UHFFFAOYSA-N 1 0 413.323 2.862 40 0 HFABRO COC[C@@]1(C[NH3+])[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccc(Br)cc1 ZINC000242701539 568970168 /nfs/dbraw/zinc/97/01/68/568970168.db2.gz WHDXJJAXFNAVHT-KZNAEPCWSA-N 1 0 410.333 2.980 40 0 HFABRO Cc1nc(N2CCc3ccc(S(N)(=O)=O)cc3C2)cc(NC2CCCCC2)[nH+]1 ZINC000328966311 568970133 /nfs/dbraw/zinc/97/01/33/568970133.db2.gz CLDSKNCLKGEWHT-UHFFFAOYSA-N 1 0 401.536 2.740 40 0 HFABRO c1ccc(C(c2ccccc2)[NH+]2CCN(Cc3nnnn3C[C@@H]3CCCO3)CC2)cc1 ZINC000019369529 569030705 /nfs/dbraw/zinc/03/07/05/569030705.db2.gz ZAMHONVMVGWKOU-QFIPXVFZSA-N 1 0 418.545 2.759 40 0 HFABRO O=C(Nc1ccc2ccccc2c1)N1CCN(c2cn[nH+]c(N3CCOCC3)c2)CC1 ZINC000224331142 569058572 /nfs/dbraw/zinc/05/85/72/569058572.db2.gz RJNCYQXITLHDEJ-UHFFFAOYSA-N 1 0 418.501 2.821 40 0 HFABRO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)Nc2ccc([C@H]3NC(=O)c4cccnc4N3C)cc2)C1 ZINC000248070354 569316051 /nfs/dbraw/zinc/31/60/51/569316051.db2.gz XIGBGXULJODBCZ-MRUHUIDDSA-N 1 0 407.518 2.876 40 0 HFABRO COc1ccccc1C[N@@H+]1CCc2nc([C@@H]3CCN(C(=O)[C@H]4C[C@@H]4C)C3)[nH]c(=O)c2C1 ZINC000253592188 569318202 /nfs/dbraw/zinc/31/82/02/569318202.db2.gz UBJARVAUGANOPS-JQHSSLGASA-N 1 0 422.529 2.721 40 0 HFABRO COc1ccccc1C[N@@H+]1CCc2nc([C@@H]3CCN(C(=O)[C@@H]4C[C@H]4C)C3)[nH]c(=O)c2C1 ZINC000253592190 569318219 /nfs/dbraw/zinc/31/82/19/569318219.db2.gz UBJARVAUGANOPS-KBAYOESNSA-N 1 0 422.529 2.721 40 0 HFABRO CS(=O)(=O)N(CCCC(=O)NCCC[NH+]1CCCCCC1)c1ccc(F)cc1 ZINC000010111320 569342850 /nfs/dbraw/zinc/34/28/50/569342850.db2.gz SUXBHQXZRQXEPP-UHFFFAOYSA-N 1 0 413.559 2.754 40 0 HFABRO C[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)C[N@H+](Cc2cccs2)CC3)C1 ZINC000019463267 569345509 /nfs/dbraw/zinc/34/55/09/569345509.db2.gz GYIXNGBNPZDIMQ-INMHGKMJSA-N 1 0 412.559 2.752 40 0 HFABRO CC[NH+](CC)CC(=O)N1CCO[C@H](c2nc(N(C)C)ncc2-c2cccc(F)c2)C1 ZINC000019692641 569346096 /nfs/dbraw/zinc/34/60/96/569346096.db2.gz AEXKJDPGIJWXKK-IBGZPJMESA-N 1 0 415.513 2.590 40 0 HFABRO Cc1cc2c(c(C)c1)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000009319943 569392228 /nfs/dbraw/zinc/39/22/28/569392228.db2.gz GIOAWWPCSIQNBC-FVJVTNMWSA-N 1 0 419.456 2.874 40 0 HFABRO CCc1cc(N2CCc3ccc(Br)cc3C2)nc(NCC[NH+](C)C)n1 ZINC000329072404 571309709 /nfs/dbraw/zinc/30/97/09/571309709.db2.gz ZXQIJZIYAUIWPR-UHFFFAOYSA-N 1 0 404.356 3.338 40 0 HFABRO Cc1nc(Nc2nccnc2C2CCN(C(=O)/C=C/C[NH+](C)C)CC2)sc1C ZINC000585292538 571309914 /nfs/dbraw/zinc/30/99/14/571309914.db2.gz OHYKPSUMNIJMHR-AATRIKPKSA-N 1 0 400.552 3.117 40 0 HFABRO C[N@@H+](Cc1ccccc1)C[C@H]1CN2CC[C@H]1C[C@@H]2CNS(=O)(=O)c1ccccc1 ZINC000067870696 291220262 /nfs/dbraw/zinc/22/02/62/291220262.db2.gz MGLANNZNCGNTTA-FDFHNCONSA-N 1 0 413.587 2.807 40 0 biogenic,in-vitro HFABRO COc1ccc(-c2cc(C[C@@H]3CC[C@H](O)[C@@H](C[NH2+]Cc4ccccn4)O3)no2)cc1 ZINC000077263353 291224230 /nfs/dbraw/zinc/22/42/30/291224230.db2.gz IICKBBJBASDUKI-QNWVGRARSA-N 1 0 409.486 2.986 40 0 biogenic,in-vitro HFABRO CC(=O)N1Cc2ccccc2O[C@@]2(CCCN(C(=O)[C@H]([NH3+])Cc3ccccc3)CC2)C1 ZINC000072394766 519637854 /nfs/dbraw/zinc/63/78/54/519637854.db2.gz RICIDVOPHLKHEU-RCZVLFRGSA-N 1 0 421.541 2.749 40 0 HFABRO COc1ccc([C@H](CNC(=O)[C@]2(C)Oc3ccccc3N(C)C2=O)[NH+]2CCCC2)cc1 ZINC000041070672 525356477 /nfs/dbraw/zinc/35/64/77/525356477.db2.gz KWTRRTCXKZIPAC-RDPSFJRHSA-N 1 0 423.513 2.762 40 0 HFABRO COc1ccc2c3c1O[C@H]1[C@@H](OC(=O)c4cccnc4)CC[C@H]4[C@@H](C2)[N@@H+](C)CC[C@]314 ZINC000004217090 557529414 /nfs/dbraw/zinc/52/94/14/557529414.db2.gz GTGRMWCOZHEYRL-MJFIPZRTSA-N 1 0 406.482 2.985 40 0 in-man HFABRO Cc1ccc(N2C(=O)C[C@@H]([NH2+]CC3CCN(c4nc(C)cc(C)n4)CC3)C2=O)cc1 ZINC000004772625 557596709 /nfs/dbraw/zinc/59/67/09/557596709.db2.gz ZMPQFRUYXHXLCJ-HXUWFJFHSA-N 1 0 407.518 2.540 40 0 HFABRO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2c4ccccc4[C@@H]3[n+]3ccccc32)cc1 ZINC000005351095 557646549 /nfs/dbraw/zinc/64/65/49/557646549.db2.gz IXNLIOXRAHTORI-GPJHCHHRSA-N 1 0 411.437 2.754 40 0 HFABRO O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)NCC[NH+]1CCCCC1 ZINC000408702244 557729259 /nfs/dbraw/zinc/72/92/59/557729259.db2.gz AJVWLRKPOATCDI-UHFFFAOYSA-N 1 0 401.532 2.731 40 0 HFABRO NC1=C2C(=[NH2+])NN(c3ccccc3)C2(c2ccncc2C(=O)[O-])N(c2ccccc2)[NH2+]1 ZINC000008665865 557799263 /nfs/dbraw/zinc/79/92/63/557799263.db2.gz VTPMRQTZEYVWBF-UHFFFAOYSA-N 1 0 413.441 2.553 40 0 HFABRO CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCCCC1)c1cccc(Cl)c1Cl ZINC000010278178 557858080 /nfs/dbraw/zinc/85/80/80/557858080.db2.gz MYYIBGLOHKTVMB-UHFFFAOYSA-N 1 0 422.378 2.752 40 0 HFABRO O=C(C[N@@H+]1CC[C@@H](c2cc(C(=O)Nc3nccs3)c3ccccc3n2)C1)N1CCC1 ZINC000019761033 558276485 /nfs/dbraw/zinc/27/64/85/558276485.db2.gz ATSHYZJHOKYSFV-OAHLLOKOSA-N 1 0 421.526 2.965 40 0 HFABRO COc1ccc2c(c1)c([C@H](O)C[NH+]1CCC(O)(Cn3ccnc3C)CC1)c(C)n2C ZINC000012143551 558335391 /nfs/dbraw/zinc/33/53/91/558335391.db2.gz OATYPWHXDRKOAG-OAQYLSRUSA-N 1 0 412.534 2.561 40 0 HFABRO C[C@@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1CCc2nc(-c3cnccn3)[nH]c(=O)c2C1 ZINC000012220791 558355637 /nfs/dbraw/zinc/35/56/37/558355637.db2.gz CGSGYCFSGQTLED-AWEZNQCLSA-N 1 0 405.458 2.605 40 0 HFABRO CC(=O)NC1(c2ccccc2F)CC[NH+](Cc2ccc3c(c2)n(C)c(=O)n3C)CC1 ZINC000012292786 558366032 /nfs/dbraw/zinc/36/60/32/558366032.db2.gz ZUDLYQKBLRMDTH-UHFFFAOYSA-N 1 0 410.493 2.644 40 0 HFABRO CC(C)c1ncc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(Cn2nc(C4CC4)ccc2=O)C3)cn1 ZINC000012366351 558388234 /nfs/dbraw/zinc/38/82/34/558388234.db2.gz CNYAOZMLODDMCW-LIMIJEPZSA-N 1 0 409.534 2.592 40 0 HFABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+](C)C)c2cccc(C)c2C)cc1 ZINC000013649074 558557929 /nfs/dbraw/zinc/55/79/29/558557929.db2.gz WPVYZGVNARPSCS-UHFFFAOYSA-N 1 0 417.575 2.875 40 0 HFABRO CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCC[NH+](C)C)cc2)cc1 ZINC000013649585 558558186 /nfs/dbraw/zinc/55/81/86/558558186.db2.gz FJQATVMPRPITNZ-UHFFFAOYSA-N 1 0 421.588 2.915 40 0 HFABRO Cc1cccc(N(CC(=O)NCCC[NH+](C)C)S(=O)(=O)c2ccccc2)c1C ZINC000013673845 558563650 /nfs/dbraw/zinc/56/36/50/558563650.db2.gz MORZLUIGFWLWPL-UHFFFAOYSA-N 1 0 403.548 2.567 40 0 HFABRO C[C@@H](C(=O)NCCC[NH+]1CCCCCC1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013674458 558563800 /nfs/dbraw/zinc/56/38/00/558563800.db2.gz WFIWTQAKIQYICF-INIZCTEOSA-N 1 0 415.987 2.877 40 0 HFABRO CCOc1ccc([C@@H](c2nnnn2Cc2cccs2)N2CC[NH+](CC)CC2)cc1 ZINC000035311171 558789757 /nfs/dbraw/zinc/78/97/57/558789757.db2.gz UBYVDXFYMAVZMI-FQEVSTJZSA-N 1 0 412.563 2.909 40 0 HFABRO C[C@@H](Oc1ccc(-n2cnnn2)cc1)C(=O)N1CCCC[C@H]1C[NH+]1CCCCCC1 ZINC000019078968 558838648 /nfs/dbraw/zinc/83/86/48/558838648.db2.gz CSAWKFPALPJYNT-QUCCMNQESA-N 1 0 412.538 2.687 40 0 HFABRO CN(c1ccccc1C(=O)NCc1cccc(C[NH+]2CCCC2)c1)S(C)(=O)=O ZINC000046375655 558840305 /nfs/dbraw/zinc/84/03/05/558840305.db2.gz LBAIEIGIBQPYAF-UHFFFAOYSA-N 1 0 401.532 2.608 40 0 HFABRO COc1ccc(C)cc1C[N@H+]1C[C@H]2CCC[C@@H](C1)C2(O)c1cnc(OC)nc1OC ZINC000019133245 558845800 /nfs/dbraw/zinc/84/58/00/558845800.db2.gz IWMCAEZBDSQUDO-NHJWOMDBSA-N 1 0 413.518 2.931 40 0 HFABRO O=C(Cc1cccs1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](C2CCCC2)C3)C1 ZINC000019343140 558872485 /nfs/dbraw/zinc/87/24/85/558872485.db2.gz FXLKULBVFURJIQ-OAHLLOKOSA-N 1 0 412.559 2.691 40 0 HFABRO CC1CCC([N@@H+]2CCc3nc([C@@H]4CCCN4C(=O)[C@@H]4CCCO4)[nH]c(=O)c3C2)CC1 ZINC000019495984 558894736 /nfs/dbraw/zinc/89/47/36/558894736.db2.gz QJWVDGXNVSUGKR-PNGKTBNWSA-N 1 0 414.550 2.962 40 0 HFABRO CCS(=O)(=O)N1CCC[C@H](c2nc3c(c(=O)[nH]2)C[N@@H+](C2CCC(C)CC2)CC3)C1 ZINC000019520310 558901283 /nfs/dbraw/zinc/90/12/83/558901283.db2.gz WTPGNTWKGYLFRW-CGZBRXJRSA-N 1 0 422.595 2.648 40 0 HFABRO CCn1ncc(-c2cc(C(=O)Nc3ccccc3CN3CC[NH+](C)CC3)no2)c1C ZINC000019524058 558905265 /nfs/dbraw/zinc/90/52/65/558905265.db2.gz OJRQNCSKCVDXIO-UHFFFAOYSA-N 1 0 408.506 2.866 40 0 HFABRO COc1cc(C[N@@H+]2CC[C@@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)cc(OC)c1OC ZINC000019549678 558914388 /nfs/dbraw/zinc/91/43/88/558914388.db2.gz ZMNUOPXOPGGOGF-QGZVFWFLSA-N 1 0 422.485 2.847 40 0 HFABRO COc1ccc(C[N@@H+]2CCc3nc([C@H]4CCN(C(=O)C5CCC5)C4)[nH]c(=O)c3C2)cc1 ZINC000019555546 558918121 /nfs/dbraw/zinc/91/81/21/558918121.db2.gz AXPMBBUJJZFBLP-SFHVURJKSA-N 1 0 422.529 2.865 40 0 HFABRO COc1ccc(C[NH+]2CCC(CNC(=O)[C@H]3CCCN(c4cnccn4)C3)CC2)cc1 ZINC000072347702 558944687 /nfs/dbraw/zinc/94/46/87/558944687.db2.gz YVOHAUVVGHXCAP-NRFANRHFSA-N 1 0 423.561 2.730 40 0 HFABRO CC(=O)Nc1cccc(-c2nccnc2[C@@H]2CCC[N@H+](CC(=O)N3CCCC3)C2)c1 ZINC000072358559 558954106 /nfs/dbraw/zinc/95/41/06/558954106.db2.gz HJARBVXLZILLAO-LJQANCHMSA-N 1 0 407.518 2.904 40 0 HFABRO CC1(C)C(=O)NCCN1C(=O)c1ccc([C@H]2CCC[N@H+](Cc3ccccc3F)C2)nc1 ZINC000019705986 558968554 /nfs/dbraw/zinc/96/85/54/558968554.db2.gz CPTYUSITVHRPCY-IBGZPJMESA-N 1 0 424.520 2.951 40 0 HFABRO Cc1nonc1CN(C)C(=O)c1ccc([C@@H]2CCC[N@H+](Cc3ccccn3)C2)nc1 ZINC000019706036 558968666 /nfs/dbraw/zinc/96/86/66/558968666.db2.gz JTBWUBLNOVWRCU-GOSISDBHSA-N 1 0 406.490 2.820 40 0 HFABRO COc1ncc([C@]2(O)CC[C@H]3C[N@H+](Cc4cn(C)c5ccccc45)C[C@H]32)c(OC)n1 ZINC000072392623 558972366 /nfs/dbraw/zinc/97/23/66/558972366.db2.gz UEHKTLTWYPMGRL-FCORRRHLSA-N 1 0 408.502 2.715 40 0 HFABRO Cc1c(C[N@H+]2CCC[C@]3(CCC(=O)N3CC(=O)NC(C)C)CC2)nc2ccccn12 ZINC000585100765 559024130 /nfs/dbraw/zinc/02/41/30/559024130.db2.gz VSYXGUZULFTZHV-QHCPKHFHSA-N 1 0 411.550 2.514 40 0 HFABRO C[N@@H+]1C[C@@H](COCc2ccccn2)[C@]2(CCN(C(=O)Cc3cccc(F)c3F)C2)C1 ZINC000585102792 559026298 /nfs/dbraw/zinc/02/62/98/559026298.db2.gz HVDZOQSNCLSMNI-FDDCHVKYSA-N 1 0 415.484 2.899 40 0 HFABRO Cc1cc(C[N@H+]2C[C@H]3c4ccccc4[C@@H](NC(=O)CC4CCOCC4)[C@H]3C2)n(C)n1 ZINC000585109719 559029441 /nfs/dbraw/zinc/02/94/41/559029441.db2.gz LIYHNNSTPONNKU-WPFOTENUSA-N 1 0 408.546 2.932 40 0 HFABRO COCCN1CC2(CC[NH+](Cc3ccco3)CC2)COc2ccccc2S1(=O)=O ZINC000096037170 559091065 /nfs/dbraw/zinc/09/10/65/559091065.db2.gz CSQPTFLWJRZNIB-UHFFFAOYSA-N 1 0 420.531 2.592 40 0 HFABRO CCOC(=O)[C@@]12C[N@H+](Cc3cccc(C)n3)C[C@@H]1CN(C(=O)c1ccoc1)CCC2 ZINC000096056086 559093833 /nfs/dbraw/zinc/09/38/33/559093833.db2.gz CHOKJTNKTBPSAM-XXBNENTESA-N 1 0 411.502 2.901 40 0 HFABRO Cn1cccc1C(=O)N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC000096079498 559094739 /nfs/dbraw/zinc/09/47/39/559094739.db2.gz DSTAYZFUVFRKGA-LJQANCHMSA-N 1 0 422.573 2.754 40 0 HFABRO CC(C)C[N@@H+]1CC2(CCN(C(=O)c3ccc4[nH]ccc4c3)CC2)[C@]2(CCNC2=O)C1 ZINC000096144155 559096452 /nfs/dbraw/zinc/09/64/52/559096452.db2.gz LLSVPUNYQFCNMK-XMMPIXPASA-N 1 0 408.546 2.868 40 0 HFABRO CCN1CC[C@@]2(C[N@H+](CC(C)C)CC23CCN(C(=O)c2c(C)noc2C)CC3)C1=O ZINC000096262773 559106764 /nfs/dbraw/zinc/10/67/64/559106764.db2.gz FOBVOTOYNHHHFY-HSZRJFAPSA-N 1 0 416.566 2.724 40 0 HFABRO CCCc1cnc(Nc2cccc(C3CCN(C(=O)[C@@H]4C[NH2+]CCO4)CC3)n2)s1 ZINC000585262964 559111580 /nfs/dbraw/zinc/11/15/80/559111580.db2.gz GDGFNXVRIAOMHR-SFHVURJKSA-N 1 0 415.563 2.929 40 0 HFABRO O=C([C@@H]1C[NH2+]CCO1)N1CCC(c2cccc(Nc3ncc(Cl)s3)n2)CC1 ZINC000585262897 559111621 /nfs/dbraw/zinc/11/16/21/559111621.db2.gz COQYQADBCGDCHM-AWEZNQCLSA-N 1 0 407.927 2.630 40 0 HFABRO O[C@]1(C[NH2+]Cc2ccc(OCc3ccccn3)cc2)CCN(c2ccc(F)cn2)C1 ZINC000585270056 559116357 /nfs/dbraw/zinc/11/63/57/559116357.db2.gz CZSRVZMFFJJBQI-QHCPKHFHSA-N 1 0 408.477 2.926 40 0 HFABRO COc1cccc(OC[C@H](O)C[N@H+](C)Cc2ccc(OCCn3cccn3)cc2)c1 ZINC000585271188 559116574 /nfs/dbraw/zinc/11/65/74/559116574.db2.gz SYTFVFCBQWTIIU-HXUWFJFHSA-N 1 0 411.502 2.842 40 0 HFABRO COc1cccc(N2CCC(O)(C[N@@H+]3CCCC[C@@H]4CN(C(C)=O)CC[C@@H]43)CC2)c1 ZINC000585282766 559120177 /nfs/dbraw/zinc/12/01/77/559120177.db2.gz AMBXBRKRCNAHKC-OFNKIYASSA-N 1 0 415.578 2.749 40 0 HFABRO O=C(c1ccc(Cl)cc1)N1CC[C@](O)(C[NH2+]Cc2ccc(Cl)cc2)[C@@H](O)C1 ZINC000585291017 559123497 /nfs/dbraw/zinc/12/34/97/559123497.db2.gz ZIUJVDGETFVYEA-ICSRJNTNSA-N 1 0 409.313 2.721 40 0 HFABRO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccc(N3CC[NH2+]CC3)nc2)cc1 ZINC000072216321 559169348 /nfs/dbraw/zinc/16/93/48/559169348.db2.gz QKLSUOYWAILFJW-FQEVSTJZSA-N 1 0 400.548 2.716 40 0 HFABRO O[C@H]1C[N@H+](Cc2ccc(OCc3ccccn3)cc2)C[C@@H]1N1CCC(F)(F)CC1 ZINC000257231916 559283975 /nfs/dbraw/zinc/28/39/75/559283975.db2.gz GIRIFTWBQIDOTC-SFTDATJTSA-N 1 0 403.473 2.937 40 0 HFABRO Cc1ncccc1C(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H]([NH+]2CCOCC2)CC1 ZINC000257242315 559284235 /nfs/dbraw/zinc/28/42/35/559284235.db2.gz IBWVBMYGOWPGSN-VDKIKQQVSA-N 1 0 423.557 2.694 40 0 HFABRO O=C(Nc1ccccc1)[C@H]1O[C@H](CC[NH+]2CCN(c3ccccc3)CC2)CC[C@@H]1O ZINC000030879020 560090090 /nfs/dbraw/zinc/09/00/90/560090090.db2.gz YWTKVIWZJRZBHM-VABKMULXSA-N 1 0 409.530 2.746 40 0 biogenic,in-vitro HFABRO Cc1cc(C)c2[nH]c(=O)c(CN(CC[NH+](C)C)C(=S)NC[C@H]3CCCO3)cc2c1 ZINC000004133504 560600490 /nfs/dbraw/zinc/60/04/90/560600490.db2.gz BKKDVHUQPXCGAB-LJQANCHMSA-N 1 0 416.591 2.562 40 0 HFABRO CCNC(=S)N(CCC[NH+](CC)CC)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000004160492 560601423 /nfs/dbraw/zinc/60/14/23/560601423.db2.gz IEZOMIJUZKOHAW-UHFFFAOYSA-N 1 0 418.563 2.685 40 0 HFABRO Cc1ccc(C)c(N([C@H](C)C(=O)NCCC[NH+]2CCC(C)CC2)S(C)(=O)=O)c1 ZINC000010540916 560769988 /nfs/dbraw/zinc/76/99/88/560769988.db2.gz VWQXVJAOHWYHRS-LJQANCHMSA-N 1 0 409.596 2.696 40 0 HFABRO Cc1ccccc1N(CC(=O)NCC[NH+](C)C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000010111626 560779711 /nfs/dbraw/zinc/77/97/11/560779711.db2.gz HIVTVYDSMQZVNB-UHFFFAOYSA-N 1 0 409.939 2.522 40 0 HFABRO CCN1c2ccccc2[C@@]2(N=C(Nc3cccc(C(F)(F)F)c3)NC(=[NH2+])N2)C1=O ZINC000019332697 560872706 /nfs/dbraw/zinc/87/27/06/560872706.db2.gz GXTZUHGUCGIZMU-GOSISDBHSA-N 1 0 402.380 2.611 40 0 HFABRO CCN(CC)CC[NH2+]Cc1ccc(OCc2nnnn2-c2ccc(C)cc2)c(OC)c1 ZINC000022108318 568475340 /nfs/dbraw/zinc/47/53/40/568475340.db2.gz PXWYOKOIJNGSIE-UHFFFAOYSA-N 1 0 424.549 2.990 40 0 HFABRO CC(C)(C)CC[NH+]1CC2(C1)CN(C(=O)c1ccc(Cl)cc1)C[C@@H]1COCCN12 ZINC000604381086 568489110 /nfs/dbraw/zinc/48/91/10/568489110.db2.gz DASYVCXAINPDMN-LJQANCHMSA-N 1 0 405.970 2.987 40 0 biogenic,in-vitro HFABRO Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CCC(O)CC3)cc2c1 ZINC000057589808 568492901 /nfs/dbraw/zinc/49/29/01/568492901.db2.gz KBZHOVJWNGTWJS-NRFANRHFSA-N 1 0 422.533 2.793 40 0 HFABRO CC[C@@H](C(=O)NC1CC[NH+](C)CC1)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000220706624 568508456 /nfs/dbraw/zinc/50/84/56/568508456.db2.gz XPTNCIHOGXJERY-INIZCTEOSA-N 1 0 422.378 2.748 40 0 HFABRO CN(c1ccc(C(=O)NCC[NH+]2CCCCC2)cc1)S(=O)(=O)c1cccs1 ZINC000026114155 568539930 /nfs/dbraw/zinc/53/99/30/568539930.db2.gz YFCDBANMTMJYAE-UHFFFAOYSA-N 1 0 407.561 2.789 40 0 HFABRO Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)NC3CC[NH+](C)CC3)c2)c1 ZINC000224143333 568571328 /nfs/dbraw/zinc/57/13/28/568571328.db2.gz ITOZXVWUPOTAFP-UHFFFAOYSA-N 1 0 401.532 2.644 40 0 HFABRO Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1N(C)S(C)(=O)=O ZINC000224514038 568583294 /nfs/dbraw/zinc/58/32/94/568583294.db2.gz XORIIEXFRFLCRW-UHFFFAOYSA-N 1 0 415.559 2.917 40 0 HFABRO CS(=O)(=O)N(CC(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1cccc(F)c1 ZINC000224604682 568587686 /nfs/dbraw/zinc/58/76/86/568587686.db2.gz VAIPBNKNUFFMEX-UHFFFAOYSA-N 1 0 419.522 2.504 40 0 HFABRO Cc1ccc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1N(C)S(C)(=O)=O ZINC000224634757 568589757 /nfs/dbraw/zinc/58/97/57/568589757.db2.gz MTXUCENBXMCEGR-UHFFFAOYSA-N 1 0 415.559 2.917 40 0 HFABRO CCS(=O)(=O)N(C)c1ccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000224774906 568596224 /nfs/dbraw/zinc/59/62/24/568596224.db2.gz PHMHPYCBJCBPSM-UHFFFAOYSA-N 1 0 415.559 2.998 40 0 HFABRO COC(=O)CSc1nnc(NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)s1 ZINC000225737557 568669569 /nfs/dbraw/zinc/66/95/69/568669569.db2.gz FDJGFPXTGUDNNL-UHFFFAOYSA-N 1 0 424.523 2.793 40 0 HFABRO CSc1ccccc1C[N@@H+]1CC[C@@]2(C1)COCc1cnc(N3CCCC3=O)nc12 ZINC000247831745 568745883 /nfs/dbraw/zinc/74/58/83/568745883.db2.gz LLLADMLIHMYNKH-JOCHJYFZSA-N 1 0 410.543 2.999 40 0 HFABRO C[C@@H]1CN(C(=O)c2ccc3nnc([C@H]4CC[N@H+](Cc5ccccc5)C4)n3c2)C[C@H](C)O1 ZINC000253603174 568755006 /nfs/dbraw/zinc/75/50/06/568755006.db2.gz JHWLUCMKLCBTBB-NSHGMRRFSA-N 1 0 419.529 2.968 40 0 HFABRO CCc1nnc(Nc2cc(C)nc([C@H]3CN(C(=O)C[NH+]4CCCC4)CCO3)c2)s1 ZINC000257210055 568779240 /nfs/dbraw/zinc/77/92/40/568779240.db2.gz BSYANGRNUVKOLD-QGZVFWFLSA-N 1 0 416.551 2.543 40 0 HFABRO CN(C)C(=O)[C@]1(c2ccccn2)CCCN(C(=O)c2ccccc2C[NH+]2CCCC2)C1 ZINC000257210696 568779377 /nfs/dbraw/zinc/77/93/77/568779377.db2.gz BVSWJMIRTRTHPC-RUZDIDTESA-N 1 0 420.557 2.940 40 0 HFABRO Cc1nc([C@@H]2CC[N@H+](Cc3ccc4c(c3)OCCO4)C2)nc(C)c1CC(=O)NC(C)C ZINC000257225832 568783689 /nfs/dbraw/zinc/78/36/89/568783689.db2.gz FIBLLUPFSPZSIE-LJQANCHMSA-N 1 0 424.545 2.921 40 0 HFABRO Cn1cnc(S(=O)(=O)N2[C@@H]3CCC[C@@H]4[N@H+](C)[C@@H](C[C@@]43C)[C@@H]2Cc2ccccc2)c1 ZINC000257268222 568795151 /nfs/dbraw/zinc/79/51/51/568795151.db2.gz MKTALKJXFCIEFY-UERWRGBPSA-N 1 0 414.575 2.667 40 0 HFABRO CN(C)C(=O)c1sc2ncccc2c1C1CC[NH+](CC2(O)CCOCC2)CC1 ZINC000257285888 568800150 /nfs/dbraw/zinc/80/01/50/568800150.db2.gz PJIHYGIUHZOXEY-UHFFFAOYSA-N 1 0 403.548 2.719 40 0 HFABRO Cc1n[nH]c(C)c1CC(=O)N1CCC[C@@](O)(C[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC000257291906 568802058 /nfs/dbraw/zinc/80/20/58/568802058.db2.gz QJESIELQRNZORD-QFIPXVFZSA-N 1 0 402.514 2.584 40 0 HFABRO CC(=O)N[C@]12CN(C(C)=O)[C@H](c3ccccc3)[C@H]1CC[N@H+](Cc1cccc(C)n1)C2 ZINC000257300024 568804516 /nfs/dbraw/zinc/80/45/16/568804516.db2.gz RSPLLGIOQVIITL-WXFUMESZSA-N 1 0 406.530 2.690 40 0 HFABRO O=C(C[N@H+]1C[C@@H]2[C@@H](Cc3cnccn3)CC[C@@H]2C1)Nc1ccc2c(c1)OCCCO2 ZINC000257320456 568810448 /nfs/dbraw/zinc/81/04/48/568810448.db2.gz VWXFTVKHNJVIPB-MBOZVWFJSA-N 1 0 408.502 2.777 40 0 HFABRO O=C(NCc1ccccc1)c1nnc2n1C[C@H]1C[N@@H+](Cc3cccc(F)c3)C[C@H]1C2 ZINC000306125482 568888408 /nfs/dbraw/zinc/88/84/08/568888408.db2.gz CSFQLXMSXQGMIU-RTBURBONSA-N 1 0 405.477 2.652 40 0 HFABRO Cc1ccc(CC(=O)N2CCCC3(CC[NH+](C)CC3)[C@@H]2CNC(=O)NC(C)C)cc1 ZINC000306130682 568893070 /nfs/dbraw/zinc/89/30/70/568893070.db2.gz JMWUMAVYUADVDE-NRFANRHFSA-N 1 0 414.594 2.948 40 0 HFABRO Cc1nc(CN2C[C@@]3(CC[N@H+](CC4CC4)C3)Oc3ccccc3S2(=O)=O)cs1 ZINC000306131944 568894263 /nfs/dbraw/zinc/89/42/63/568894263.db2.gz KTQZTVHPRXEAQF-FQEVSTJZSA-N 1 0 419.572 2.889 40 0 HFABRO Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@H]2C[N@@H+](Cc4cc(C)cc(C)c4)C[C@@H]32)cc1 ZINC000306132656 568894795 /nfs/dbraw/zinc/89/47/95/568894795.db2.gz LONFCZPWDJXBPI-FGZHOGPDSA-N 1 0 416.525 2.608 40 0 HFABRO CCc1ccc(C[N@@H+]2CC[C@@]3(CCn4c3nn(Cc3cccs3)c(=O)c4=O)C2)cc1 ZINC000306133212 568895386 /nfs/dbraw/zinc/89/53/86/568895386.db2.gz MFJBVSGRMAUQPJ-HSZRJFAPSA-N 1 0 422.554 2.625 40 0 HFABRO O=C1N(Cc2ccsc2)CCO[C@@]12C[N@H+](Cc1ccncc1)C[C@@H]2c1cccnc1 ZINC000306137127 568898806 /nfs/dbraw/zinc/89/88/06/568898806.db2.gz QMBVVHXMTIHJBO-FYYLOGMGSA-N 1 0 420.538 2.935 40 0 HFABRO O=C1N(Cc2ccsc2)CCO[C@]12C[N@H+](Cc1ccncc1)C[C@H]2c1cccnc1 ZINC000306137129 568898975 /nfs/dbraw/zinc/89/89/75/568898975.db2.gz QMBVVHXMTIHJBO-GMAHTHKFSA-N 1 0 420.538 2.935 40 0 HFABRO COCCN1CC[C@@]2(C[N@H+](Cc3cccs3)C[C@@H]2c2cn(C(C)C)cn2)C1=O ZINC000306137148 568899222 /nfs/dbraw/zinc/89/92/22/568899222.db2.gz QMQXVXDYDKHLOA-NQIIRXRSSA-N 1 0 402.564 2.990 40 0 HFABRO O=C1N(Cc2ccsc2)CCO[C@@]12C[N@H+](Cc1ccncc1)C[C@H]2c1cccnc1 ZINC000306137130 568899224 /nfs/dbraw/zinc/89/92/24/568899224.db2.gz QMBVVHXMTIHJBO-JTHBVZDNSA-N 1 0 420.538 2.935 40 0 HFABRO Cc1ccc(C[N@@H+]2C[C@@H]3Cn4cc(C(=O)NC5CCCCC5)c(=O)nc4[C@H]3C2)s1 ZINC000306139696 568901606 /nfs/dbraw/zinc/90/16/06/568901606.db2.gz TXWHKQJVHSEQFR-QAPCUYQASA-N 1 0 412.559 2.905 40 0 HFABRO CC(C)(C)NC(=O)c1nnc2n1CC1(CC[NH+](Cc3ccsc3)CC1)COC2 ZINC000306140107 568901852 /nfs/dbraw/zinc/90/18/52/568901852.db2.gz UJZLCXYORQXLOG-UHFFFAOYSA-N 1 0 403.552 2.681 40 0 HFABRO Cc1ncsc1C[N@H+]1C[C@@H]2Cc3nnc(C(=O)Nc4cccc(F)c4)n3C[C@@H]2C1 ZINC000306140987 568902778 /nfs/dbraw/zinc/90/27/78/568902778.db2.gz VIIWNZRPFCRWKK-KBPBESRZSA-N 1 0 412.494 2.739 40 0 HFABRO CC(C)(C)OC(=O)N[C@]1(C[NH3+])[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218657692 568942797 /nfs/dbraw/zinc/94/27/97/568942797.db2.gz IDDWGOGVDCIUJZ-BBTUJRGHSA-N 1 0 420.506 2.988 40 0 HFABRO COC[C@]1(C[NH3+])[C@@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccccc1 ZINC000242701540 568970118 /nfs/dbraw/zinc/97/01/18/568970118.db2.gz WHDXJJAXFNAVHT-RCCFBDPRSA-N 1 0 410.333 2.980 40 0 HFABRO C[NH+](C)CCNc1nc(Nc2ccccc2Br)cc(-c2ccncc2)n1 ZINC000329064728 568975332 /nfs/dbraw/zinc/97/53/32/568975332.db2.gz XMTOOJMOFPRAGO-UHFFFAOYSA-N 1 0 413.323 2.862 40 0 HFABRO O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@@H]34)[C@@H]21 ZINC000257198494 569058905 /nfs/dbraw/zinc/05/89/05/569058905.db2.gz APOCTQBTQNWTOI-PMTLTCCBSA-N 1 0 418.541 2.887 40 0 HFABRO C[C@@H]1C[N@H+](C)CC[C@H]1CCc1ccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)cc1 ZINC000248084265 569316064 /nfs/dbraw/zinc/31/60/64/569316064.db2.gz AZIGQRWIAUJEEC-IEBWSBKVSA-N 1 0 421.607 2.817 40 0 HFABRO C[C@H](C(=O)NCCC[NH+]1CCCCCC1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000010111225 569342880 /nfs/dbraw/zinc/34/28/80/569342880.db2.gz HQZXPYFYHACLFU-MRXNPFEDSA-N 1 0 415.987 2.877 40 0 HFABRO CCOCc1ccc(C(=O)N(C)Cc2cc(N(C)C)nc([C@@H]3CCC[NH2+]C3)n2)cc1 ZINC000019709693 569428924 /nfs/dbraw/zinc/42/89/24/569428924.db2.gz PRHBYTZTQVDZRO-LJQANCHMSA-N 1 0 411.550 2.818 40 0 HFABRO C[NH+](C)CCCNc1nc(Nc2ccc(N3CCOCC3)cc2)cc(C(F)(F)F)n1 ZINC000328993224 571304508 /nfs/dbraw/zinc/30/45/08/571304508.db2.gz JAIPUHCNLPEEHA-UHFFFAOYSA-N 1 0 424.471 3.439 40 0 HFABRO Cc1nc(Nc2nccnc2[C@H]2CCCN(C(=O)/C=C/C[NH+](C)C)C2)sc1C ZINC000585293103 571309889 /nfs/dbraw/zinc/30/98/89/571309889.db2.gz WWZHSOTZIOQMCO-BVBGJJFLSA-N 1 0 400.552 3.117 40 0 HFABRO O=C(Nc1nccs1)[C@H]1C[N@@H+]2CC[C@@H]1C[C@@H]2Cn1cc(COc2ccccc2)nn1 ZINC000008298399 291229449 /nfs/dbraw/zinc/22/94/49/291229449.db2.gz VYPAKJLQBQVCDY-SUMDDJOVSA-N 1 0 424.530 2.663 40 0 biogenic,in-vitro HFABRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1nn(C)c(NC(=O)c2ccccc2Cl)c1F ZINC000041070642 521639498 /nfs/dbraw/zinc/63/94/98/521639498.db2.gz WNTUSXSJYKZOTL-GFCCVEGCSA-N 1 0 407.877 2.679 40 0 HFABRO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3ccc4c(c3)OCO4)cc2)CC1 ZINC000032126247 521698872 /nfs/dbraw/zinc/69/88/72/521698872.db2.gz JNBCVQPNSXQXRC-UHFFFAOYSA-N 1 0 412.515 2.684 40 0 HFABRO CN(c1ccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1)S(C)(=O)=O ZINC000044874091 523635205 /nfs/dbraw/zinc/63/52/05/523635205.db2.gz DQIOKHQGSWVUFH-UHFFFAOYSA-N 1 0 415.559 2.998 40 0 HFABRO C[NH+]1CCC(CNS(=O)(=O)c2ccc3c(c2)[C@@H](NC(=O)C2CCCC2)CC3)CC1 ZINC000072345812 523765043 /nfs/dbraw/zinc/76/50/43/523765043.db2.gz HMSWTFKWFUZSHR-NRFANRHFSA-N 1 0 419.591 2.600 40 0 HFABRO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)COc2cccc(C)c2C)c1 ZINC000408566632 557465087 /nfs/dbraw/zinc/46/50/87/557465087.db2.gz ASIGOLHPKQCNOQ-UHFFFAOYSA-N 1 0 411.502 2.859 40 0 HFABRO COc1cc(C(=O)N[C@@H](COc2ccccc2)C[NH+]2CCCC2)cc(OC)c1OC ZINC000005639557 557666163 /nfs/dbraw/zinc/66/61/63/557666163.db2.gz QFSBWEZVTZCUPC-GOSISDBHSA-N 1 0 414.502 2.986 40 0 in-man HFABRO C[NH+](C)CCCNC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 ZINC000010111353 557855147 /nfs/dbraw/zinc/85/51/47/557855147.db2.gz ITTUTKORZKRERO-UHFFFAOYSA-N 1 0 409.939 2.603 40 0 HFABRO CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCCCC1)c1ccc(Cl)cc1Cl ZINC000010278714 557858114 /nfs/dbraw/zinc/85/81/14/557858114.db2.gz IAQGVVWPJKXJAD-UHFFFAOYSA-N 1 0 422.378 2.752 40 0 HFABRO Cc1cccc(N(Cc2ccc(C(=O)NCCC[NH+](C)C)cc2)S(C)(=O)=O)c1 ZINC000010333808 557860924 /nfs/dbraw/zinc/86/09/24/557860924.db2.gz AZENQYZYCQBWSN-UHFFFAOYSA-N 1 0 403.548 2.643 40 0 HFABRO CC1CC[NH+](CC(=O)N2CCC[C@@H](N(C)S(=O)(=O)Cc3ccccc3)CC2)CC1 ZINC000019749773 558269507 /nfs/dbraw/zinc/26/95/07/558269507.db2.gz KJLJUVCDSPXYEW-OAQYLSRUSA-N 1 0 421.607 2.561 40 0 HFABRO C[NH+](C)CCCNC(=O)CN1N=C(c2ccccc2)Cn2c3ccsc3cc2C1=O ZINC000012145897 558337319 /nfs/dbraw/zinc/33/73/19/558337319.db2.gz ALJPZVVPXWOSTK-UHFFFAOYSA-N 1 0 423.542 2.631 40 0 HFABRO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)C2)cc1 ZINC000022258752 558474927 /nfs/dbraw/zinc/47/49/27/558474927.db2.gz IOECCPIAUNDBIX-QGZVFWFLSA-N 1 0 421.607 2.821 40 0 HFABRO CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCC[NH+](C)C)cc2)cc1 ZINC000013669891 558561500 /nfs/dbraw/zinc/56/15/00/558561500.db2.gz GPUYMWBRSPGABX-UHFFFAOYSA-N 1 0 407.561 2.525 40 0 HFABRO CC[C@@H](C(=O)NCC[NH+]1CCCCCC1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716857 558579749 /nfs/dbraw/zinc/57/97/49/558579749.db2.gz IKPAXLYVWXJVIM-FQEVSTJZSA-N 1 0 409.596 2.840 40 0 HFABRO CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000030947472 558746804 /nfs/dbraw/zinc/74/68/04/558746804.db2.gz ZOVXSWMFLREONI-UHFFFAOYSA-N 1 0 413.543 2.736 40 0 HFABRO COc1ccc(C[N@@H+]2C[C@@H](c3cccc(C)n3)[C@]3(C2)CCCCC(=O)N3)cc1CO ZINC000019236379 558855597 /nfs/dbraw/zinc/85/55/97/558855597.db2.gz PEPOOQGIMNYVAW-GBXCKJPGSA-N 1 0 409.530 2.919 40 0 HFABRO COc1ccc([C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H](C)C3)C[C@H]2c2cc(=O)[nH]c(C)n2)cc1 ZINC000019285474 558859925 /nfs/dbraw/zinc/85/99/25/558859925.db2.gz COQDUNVHZGWNMK-ORYQWCPZSA-N 1 0 424.545 2.528 40 0 HFABRO COc1cccc(CC(=O)NC2CC[NH+](Cc3cc(-c4cccnc4)nn3C)CC2)c1 ZINC000019288983 558861749 /nfs/dbraw/zinc/86/17/49/558861749.db2.gz ITQZHKBIEKGUNE-UHFFFAOYSA-N 1 0 419.529 2.814 40 0 HFABRO O=C(C1CC1)N1CCc2nc([C@H]3CCC[N@@H+](Cc4cccc(F)c4)C3)[nH]c(=O)c2C1 ZINC000019293840 558865448 /nfs/dbraw/zinc/86/54/48/558865448.db2.gz ZYZSNGVZCPTFKO-KRWDZBQOSA-N 1 0 410.493 2.583 40 0 HFABRO O=C(Cc1ccc(F)cc1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](C2CCCC2)C3)C1 ZINC000019333170 558869006 /nfs/dbraw/zinc/86/90/06/558869006.db2.gz KZFYFJDIJPSBEQ-KRWDZBQOSA-N 1 0 424.520 2.768 40 0 HFABRO O=C(NCC1CC1)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1ccnc(N2CCCC2)n1 ZINC000019372469 558879766 /nfs/dbraw/zinc/87/97/66/558879766.db2.gz JSKWJDVPQGQSAL-SFTDATJTSA-N 1 0 405.546 2.819 40 0 HFABRO Cc1nn(-c2ccccc2)c2[nH]c(=O)c(C[NH2+]C[C@@H]3COc4ccccc4O3)cc12 ZINC000057810340 558890633 /nfs/dbraw/zinc/89/06/33/558890633.db2.gz VYASZLDZUZCACK-GOSISDBHSA-N 1 0 402.454 2.952 40 0 HFABRO C[C@H](CCC(=O)N1CCN([C@H](c2nccn2C)c2ccccc2)CC1)[NH+]1CCCC1 ZINC000019455574 558891841 /nfs/dbraw/zinc/89/18/41/558891841.db2.gz UYOHZCNGGLLKKV-OFNKIYASSA-N 1 0 409.578 2.918 40 0 HFABRO CCCC(=O)N1CCc2nc([C@@H]3CCC[N@H+](Cc4cccc(F)c4)C3)[nH]c(=O)c2C1 ZINC000019501588 558899650 /nfs/dbraw/zinc/89/96/50/558899650.db2.gz SUACVJNWEBKHOL-QGZVFWFLSA-N 1 0 412.509 2.973 40 0 HFABRO CCN(CC)c1ncc2c(cc(C3CC[NH+](Cc4cnn(C)c4C)CC3)[nH]c2=O)n1 ZINC000019526561 558907939 /nfs/dbraw/zinc/90/79/39/558907939.db2.gz KOWFFLGIWRMUPA-UHFFFAOYSA-N 1 0 409.538 2.998 40 0 HFABRO CC[NH+]1CCC(n2nccc2NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)CC1 ZINC000019527049 558908140 /nfs/dbraw/zinc/90/81/40/558908140.db2.gz UIDQIAHWGHLXIV-MRXNPFEDSA-N 1 0 411.506 2.540 40 0 HFABRO COc1cc(CN2C[C@@H]3C[C@@H](O)C[N@@H+]3C[C@H]2Cc2ccccc2)cc(OC)c1OC ZINC000019549912 558914687 /nfs/dbraw/zinc/91/46/87/558914687.db2.gz WXDFIGXAAMIAFP-QHAWAJNXSA-N 1 0 412.530 2.575 40 0 HFABRO O[C@]1(c2ccc(F)cc2)CC[C@@H]2C[N@H+](Cc3ccnc(N4CCSCC4)n3)C[C@@H]21 ZINC000072340411 558939092 /nfs/dbraw/zinc/93/90/92/558939092.db2.gz YBHWXJHFJDQWKG-BUVFEPMLSA-N 1 0 414.550 2.899 40 0 HFABRO COc1ncc([C@]2(O)CCC[C@@H]3C[N@H+](Cc4ccc(F)cc4F)C[C@@H]32)c(OC)n1 ZINC000072343012 558940591 /nfs/dbraw/zinc/94/05/91/558940591.db2.gz SFHFTUGTFJFNDS-GQNMWPQZSA-N 1 0 405.445 2.892 40 0 HFABRO COCCc1ncc(C[N@@H+]2CCC[C@H](c3cc(=O)[nH]c(-c4cccs4)n3)C2)cn1 ZINC000019593847 558945163 /nfs/dbraw/zinc/94/51/63/558945163.db2.gz FFBKQRMWYDJBOU-INIZCTEOSA-N 1 0 411.531 2.857 40 0 HFABRO COc1ccccc1OCCc1cc([C@H]2CC[N@H+](Cc3cnc(N(C)C)nc3)C2)[nH]n1 ZINC000072371485 558958432 /nfs/dbraw/zinc/95/84/32/558958432.db2.gz YRDSMZQEAZLZOY-SFHVURJKSA-N 1 0 422.533 2.885 40 0 HFABRO CC1CCN(C(=O)C[NH+]2CCC(c3cc(C(F)(F)F)c4c(N)n[nH]c4n3)CC2)CC1 ZINC000072374106 558961420 /nfs/dbraw/zinc/96/14/20/558961420.db2.gz OWJNIHMAZFLPDY-UHFFFAOYSA-N 1 0 424.471 2.997 40 0 HFABRO CCc1ncc(C[N@@H+]2CCC[C@@H](c3ccnc(Nc4cc(NC)ncn4)n3)C2)cn1 ZINC000072378084 558967358 /nfs/dbraw/zinc/96/73/58/558967358.db2.gz JXURKUSEKCEWRA-MRXNPFEDSA-N 1 0 405.510 2.784 40 0 HFABRO O=C(CNC(=O)c1ccc([C@@H]2CCC[N@H+](Cc3ccccn3)C2)nc1)N1CCCCC1 ZINC000019705991 558968441 /nfs/dbraw/zinc/96/84/41/558968441.db2.gz PTESNEHGPCGJKW-HXUWFJFHSA-N 1 0 421.545 2.599 40 0 HFABRO CC(C)NC(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CN(C(=O)C[NH+](C)C)CCO1 ZINC000072389111 558969562 /nfs/dbraw/zinc/96/95/62/558969562.db2.gz RTEYQYWQIAAULL-RUZDIDTESA-N 1 0 423.557 2.580 40 0 HFABRO Cc1ccc(N2C[C@H](C(=O)NC3CC[NH+](Cc4ccccn4)CC3)CC2=O)c(C)c1 ZINC000019713990 558973744 /nfs/dbraw/zinc/97/37/44/558973744.db2.gz MECXXNMQXMGBNY-LJQANCHMSA-N 1 0 406.530 2.832 40 0 HFABRO Cc1cc(-c2cc3nc(C)c(C)c(N4CCC[C@H](C[NH+]5CCOCC5)C4)n3n2)no1 ZINC000072396863 558975504 /nfs/dbraw/zinc/97/55/04/558975504.db2.gz NDHZPAPFHOOGIU-GOSISDBHSA-N 1 0 410.522 2.858 40 0 HFABRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000077271220 559000170 /nfs/dbraw/zinc/00/01/70/559000170.db2.gz YJRJYYPXNAHNMD-LILSUDLASA-N 1 0 401.595 2.713 40 0 in-vitro HFABRO CN(C)c1ccc(C(=O)N2CCC3(CC2)NC(=O)[C@@H]2C[N@H+](CC4CCCC4)C[C@@H]23)cc1 ZINC000585106049 559028268 /nfs/dbraw/zinc/02/82/68/559028268.db2.gz HPZBBBDTBJGVHA-YADHBBJMSA-N 1 0 424.589 2.595 40 0 HFABRO CC(C)CC[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)Cc2ccccc2Cl)CC1 ZINC000585106008 559028297 /nfs/dbraw/zinc/02/82/97/559028297.db2.gz CSCNLYKOGBZXEN-MOPGFXCFSA-N 1 0 417.981 2.968 40 0 HFABRO CCCC[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc(Cl)cc2OC)CC1 ZINC000585106301 559028657 /nfs/dbraw/zinc/02/86/57/559028657.db2.gz PJVAJTWOOLMERP-MSOLQXFVSA-N 1 0 419.953 2.801 40 0 HFABRO CC[N@@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CCN(C(=O)c1ccccn1)CC3 ZINC000096036328 559090014 /nfs/dbraw/zinc/09/00/14/559090014.db2.gz XDDVWPNQDFYNOL-GBXCKJPGSA-N 1 0 410.562 2.658 40 0 HFABRO CCN1CC[C@]2(CN(C(=O)N(C)C)CC23CC[NH+](Cc2ccc(F)cc2)CC3)C1=O ZINC000096036578 559090445 /nfs/dbraw/zinc/09/04/45/559090445.db2.gz XJVQJXUEKUDMFY-QHCPKHFHSA-N 1 0 416.541 2.644 40 0 HFABRO CCN(CC)C(=O)[C@H]1Cn2ccnc2C2(CC[NH+](Cc3ccc(F)cc3)CC2)O1 ZINC000096036872 559090671 /nfs/dbraw/zinc/09/06/71/559090671.db2.gz RJJBUGYOINNFHW-LJQANCHMSA-N 1 0 400.498 2.781 40 0 HFABRO O=S(=O)(c1ccccc1)N1C[C@H]2CN(C3CC[NH+](Cc4ccccc4)CC3)[C@H]2C1 ZINC000096090575 559095163 /nfs/dbraw/zinc/09/51/63/559095163.db2.gz BJOQEGDXVHMAMJ-REWPJTCUSA-N 1 0 411.571 2.656 40 0 HFABRO Cc1cnc(C(=O)N2Cc3ccccc3C3(CC[NH+](C4CCOCC4)CC3)C2)cn1 ZINC000096242467 559103947 /nfs/dbraw/zinc/10/39/47/559103947.db2.gz VXIZGSIMJFJNSK-UHFFFAOYSA-N 1 0 406.530 2.954 40 0 HFABRO CC[N@@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CCN(C(=O)c1cccnc1)CC3 ZINC000096262457 559106531 /nfs/dbraw/zinc/10/65/31/559106531.db2.gz ZIVWVGMUKCZDAJ-GBXCKJPGSA-N 1 0 410.562 2.658 40 0 HFABRO O=C(NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H]([NH+]2CCOCC2)CC1)c1ccccc1 ZINC000585262366 559110949 /nfs/dbraw/zinc/11/09/49/559110949.db2.gz GSQKDRGCYHQZEW-VDKIKQQVSA-N 1 0 408.542 2.990 40 0 HFABRO Cc1cc(O[C@H]2C[N@H+](Cc3ccc(OCCOCCO)cc3)C[C@@H]2O)cc(C)c1C ZINC000585268710 559113533 /nfs/dbraw/zinc/11/35/33/559113533.db2.gz LJVLDBZSKOBYOV-ZEQRLZLVSA-N 1 0 415.530 2.624 40 0 HFABRO COCC(=O)N1CC[N@@H+](C2CCCCC2)C[C@](O)(COc2ccc(C)c(C)c2)C1 ZINC000585282746 559120233 /nfs/dbraw/zinc/12/02/33/559120233.db2.gz NITSQZMEZPKXNZ-HSZRJFAPSA-N 1 0 404.551 2.537 40 0 HFABRO COc1cccc(NC(=O)c2ccc3nnc([C@@H]4C[N@H+](CC5CC5)CCN4C)n3c2)c1 ZINC000107189274 559164825 /nfs/dbraw/zinc/16/48/25/559164825.db2.gz GUQOQIWQBNKPEC-FQEVSTJZSA-N 1 0 420.517 2.689 40 0 HFABRO C[N@@H+](Cc1cccnc1)C[C@H]1CCC2(CN(C(=O)[C@@H]3Cc4ccccc4O3)C2)OC1 ZINC000575403345 560546860 /nfs/dbraw/zinc/54/68/60/560546860.db2.gz IJDBNMKEDOCCEK-KNQAVFIVSA-N 1 0 407.514 2.525 40 0 HFABRO O=C(Nc1ccccc1)NC1CC[NH+](CCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000004967384 560622139 /nfs/dbraw/zinc/62/21/39/560622139.db2.gz KDCCBRGOGBCOBT-UHFFFAOYSA-N 1 0 406.486 2.959 40 0 HFABRO COc1ccccc1/C=[N+]1\NC(=O)[C@H](NC(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000409068199 560672593 /nfs/dbraw/zinc/67/25/93/560672593.db2.gz KPSFBYCQLXKVAY-RUHLTXABSA-O 1 0 400.458 2.711 40 0 HFABRO COC(=O)c1ccc2nc(NC(=S)N3CCN(c4ccccn4)CC3)sc2c1 ZINC000409189650 560691013 /nfs/dbraw/zinc/69/10/13/560691013.db2.gz MFUIVMZJLWBSOH-UHFFFAOYSA-N 1 0 413.528 2.997 40 0 HFABRO Cc1ccc(C(=O)NCCC[NH+]2CCCCCC2)cc1S(=O)(=O)N1CCCC1 ZINC000010111269 560763744 /nfs/dbraw/zinc/76/37/44/560763744.db2.gz ZCTBBPBYBYMQBE-UHFFFAOYSA-N 1 0 407.580 2.775 40 0 HFABRO CCOc1c(Br)cc(Br)cc1CNCC[NH2+]C[C@@H](C)O ZINC000022074853 568473934 /nfs/dbraw/zinc/47/39/34/568473934.db2.gz BGEOQXMGOGKLFA-SNVBAGLBSA-N 1 0 410.150 2.670 40 0 HFABRO OC[C@H]1[C@H](O)C[C@@H]([NH2+]Cc2ccccc2Cl)[C@@H]1Cc1ccnc(-c2cccnc2)n1 ZINC000604382037 568489431 /nfs/dbraw/zinc/48/94/31/568489431.db2.gz AEPXVVGSWLYBQJ-UGESXGAOSA-N 1 0 424.932 2.882 40 0 biogenic,in-vitro HFABRO C[NH+](C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1Cc1cccnc1 ZINC000223260761 568543220 /nfs/dbraw/zinc/54/32/20/568543220.db2.gz LKZZYBJLOSNISL-RTWAWAEBSA-N 1 0 406.559 2.861 40 0 HFABRO Cc1ccc(C(=O)NCC[NH+](C)C)cc1N(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224319044 568577710 /nfs/dbraw/zinc/57/77/10/568577710.db2.gz RUIMFMHVQDWGGA-UHFFFAOYSA-N 1 0 409.939 2.765 40 0 HFABRO CN([C@@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)c1ccccc1)S(C)(=O)=O ZINC000224803023 568597678 /nfs/dbraw/zinc/59/76/78/568597678.db2.gz VXKAFPXJEWBNSQ-OAQYLSRUSA-N 1 0 415.559 2.531 40 0 HFABRO CC1CC[NH+](CCCNC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)CC1 ZINC000225409632 568635012 /nfs/dbraw/zinc/63/50/12/568635012.db2.gz ZWXUDLSRLLOIBP-UHFFFAOYSA-N 1 0 413.559 2.610 40 0 HFABRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=S)Nc2cccc(N(C)S(C)(=O)=O)c2)C1 ZINC000225728771 568668574 /nfs/dbraw/zinc/66/85/74/568668574.db2.gz ANTFYGXCAABPRG-HZPDHXFCSA-N 1 0 412.625 2.737 40 0 HFABRO CN(C)C(=O)c1sc2nc([C@@]3(C)CCC[N@H+](Cc4cnccn4)C3)ccc2c1N ZINC000257217508 568781223 /nfs/dbraw/zinc/78/12/23/568781223.db2.gz CZGQNKGKHLAKHX-NRFANRHFSA-N 1 0 410.547 2.924 40 0 HFABRO CC1(C)Cc2cc(C[N@@H+]3CCC[C@H](c4n[nH]cc4C(=O)N4CCOCC4)C3)ccc2O1 ZINC000257243248 568788320 /nfs/dbraw/zinc/78/83/20/568788320.db2.gz IGBCHTKVGWVEMZ-SFHVURJKSA-N 1 0 424.545 2.975 40 0 HFABRO O=C(C[NH+]1CCCC1)N1CCO[C@@H](c2cc(CCOc3cccc(Cl)c3)n[nH]2)C1 ZINC000257247908 568789762 /nfs/dbraw/zinc/78/97/62/568789762.db2.gz JBCPERMBGIRNDB-HXUWFJFHSA-N 1 0 418.925 2.680 40 0 HFABRO CC(=O)NCCn1nc([C@@H]2CCC[N@H+](Cc3c[nH]nc3C(C)(C)C)C2)c2cccnc21 ZINC000257274295 568796981 /nfs/dbraw/zinc/79/69/81/568796981.db2.gz NKKBGGRXSCTSPA-QGZVFWFLSA-N 1 0 423.565 2.968 40 0 HFABRO O=C(C[NH+]1CCC(CCc2ccnc(NC(=O)c3ccccn3)c2)CC1)N1CCCC1 ZINC000257323374 568811203 /nfs/dbraw/zinc/81/12/03/568811203.db2.gz WJXIVNKHVGJYQZ-UHFFFAOYSA-N 1 0 421.545 2.996 40 0 HFABRO COc1ccc(NC(=O)c2nnc3n2C[C@H]2C[N@@H+](Cc4cccc(F)c4)C[C@H]2C3)cc1 ZINC000306124184 568887233 /nfs/dbraw/zinc/88/72/33/568887233.db2.gz BIQKRLOSIWIFIY-IAGOWNOFSA-N 1 0 421.476 2.982 40 0 HFABRO COC(=O)N1Cc2nnc(-c3cccnc3)n2C2(CC[NH+](Cc3cccs3)CC2)C1 ZINC000306125749 568888358 /nfs/dbraw/zinc/88/83/58/568888358.db2.gz DBEHJKDBIXVDEG-UHFFFAOYSA-N 1 0 424.530 2.975 40 0 HFABRO CC(C)(C)NC(=O)c1nnc2n1CC1(CC[NH+](Cc3ccc(F)cc3)CC1)COC2 ZINC000306126450 568889234 /nfs/dbraw/zinc/88/92/34/568889234.db2.gz DWGDMHVJIUOBAD-UHFFFAOYSA-N 1 0 415.513 2.758 40 0 HFABRO COCCC(=O)N1CCC2(CC1)Oc1ccccc1-c1c2cnn1CC[NH+]1CCCC1 ZINC000306129034 568891662 /nfs/dbraw/zinc/89/16/62/568891662.db2.gz HSCUAPIUGPWZOC-UHFFFAOYSA-N 1 0 424.545 2.893 40 0 HFABRO C[C@H]1CCCCN1C(=O)c1nnc2n1CCN(C)C21CC[NH+](Cc2ccccc2)CC1 ZINC000306129236 568891878 /nfs/dbraw/zinc/89/18/78/568891878.db2.gz HYDPXCBWEZMNIN-IBGZPJMESA-N 1 0 422.577 2.729 40 0 HFABRO O=C(NCc1ccccc1)C1CCN(C2=NO[C@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000306129860 568892261 /nfs/dbraw/zinc/89/22/61/568892261.db2.gz IOZMRFPRZNGVLE-GOTSBHOMSA-N 1 0 418.541 2.859 40 0 HFABRO CC(C)n1cc(C[N@@H+]2CCC[C@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)cn1 ZINC000306132810 568894978 /nfs/dbraw/zinc/89/49/78/568894978.db2.gz LSRCBYZWVBRSTF-IBGZPJMESA-N 1 0 409.538 2.723 40 0 HFABRO Cc1ccc(C[NH+]2CCC3(CC2)COCc2nnc(C(=O)NC(C)(C)C)n2C3)s1 ZINC000306137308 568899161 /nfs/dbraw/zinc/89/91/61/568899161.db2.gz QSHOULAZEQWQEC-UHFFFAOYSA-N 1 0 417.579 2.989 40 0 HFABRO Cn1nccc1[C@@H]1C[N@H+](Cc2ccco2)C[C@]12CCCN(Cc1cccnc1)C2=O ZINC000306138832 568900661 /nfs/dbraw/zinc/90/06/61/568900661.db2.gz SIQFYDHQGRMNGC-NZQKXSOJSA-N 1 0 405.502 2.817 40 0 HFABRO CN1CC2(CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c2nn(CC3CC3)cc2C1=O ZINC000306143144 568904630 /nfs/dbraw/zinc/90/46/30/568904630.db2.gz XUMIWHOHBZTFIO-UHFFFAOYSA-N 1 0 408.502 2.641 40 0 HFABRO COc1ccc(C[N@@H+]2C[C@@H](c3cccnc3)[C@]3(C2)OCCN(CC2CC2)C3=O)cc1 ZINC000306144173 568905680 /nfs/dbraw/zinc/90/56/80/568905680.db2.gz YXZUJLWGJQNHFF-UPVQGACJSA-N 1 0 407.514 2.697 40 0 HFABRO Cc1nnc(CCC(=O)N2CCO[C@]3(CCCC[C@@H]3[NH2+]Cc3cccnc3)C2)s1 ZINC000306144491 568905846 /nfs/dbraw/zinc/90/58/46/568905846.db2.gz ZGNOAGAZCVTYKD-GHTZIAJQSA-N 1 0 415.563 2.504 40 0 HFABRO Cc1nnc(CCC(=O)N2CCO[C@@]3(CCCC[C@@H]3[NH2+]Cc3cccnc3)C2)s1 ZINC000306144493 568905853 /nfs/dbraw/zinc/90/58/53/568905853.db2.gz ZGNOAGAZCVTYKD-RXVVDRJESA-N 1 0 415.563 2.504 40 0 HFABRO CCOC(=O)[C@]1(C[NH3+])[C@@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218119101 568926129 /nfs/dbraw/zinc/92/61/29/568926129.db2.gz FBULYROZECUSEK-CMKODMSKSA-N 1 0 423.918 2.797 40 0 HFABRO CCOC[C@]1(C[NH3+])[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218181511 568927271 /nfs/dbraw/zinc/92/72/71/568927271.db2.gz WITKHYUWSAJNMU-HSALFYBXSA-N 1 0 423.918 2.990 40 0 HFABRO C[NH+](C)CCNc1nc(Nc2ccc(F)cc2Br)cc(C(F)(F)F)n1 ZINC000329002149 568971994 /nfs/dbraw/zinc/97/19/94/568971994.db2.gz KFYFYBVLWMBOEA-UHFFFAOYSA-N 1 0 422.224 2.958 40 0 HFABRO O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@@H]34)[C@H]21 ZINC000257198492 569058938 /nfs/dbraw/zinc/05/89/38/569058938.db2.gz APOCTQBTQNWTOI-OSOIDXKESA-N 1 0 418.541 2.887 40 0 HFABRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cn(CC(=O)NC[C@H]2CCCO2)c2ccccc12 ZINC000249703413 569316905 /nfs/dbraw/zinc/31/69/05/569316905.db2.gz ZTQDARNKWLARFX-SESVDKBCSA-N 1 0 410.562 2.605 40 0 HFABRO CC(C)C[NH+]1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)C3CCCCC3)C1)C2=O ZINC000019699779 569347034 /nfs/dbraw/zinc/34/70/34/569347034.db2.gz APRJALVHNXZELI-IBGZPJMESA-N 1 0 418.582 2.600 40 0 HFABRO C[NH2+]Cc1cc(N(C)C)nc([C@@H]2CCCN(C(=O)CCc3ccccc3OC)C2)n1 ZINC000019709623 569428835 /nfs/dbraw/zinc/42/88/35/569428835.db2.gz NSPFMJZWBHNFFB-GOSISDBHSA-N 1 0 411.550 2.609 40 0 HFABRO CCc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)nc(NCC[NH+](C)C)n1 ZINC000329013616 571309782 /nfs/dbraw/zinc/30/97/82/571309782.db2.gz MRNLLNMFLOHWFZ-UHFFFAOYSA-N 1 0 409.456 3.474 40 0 HFABRO COc1ccccc1-c1cc([C@H]2C[N@@H+]3CC[C@H]2C[C@@H]3CNC(=O)NC(C)C)n(C)n1 ZINC000012602010 291225659 /nfs/dbraw/zinc/22/56/59/291225659.db2.gz DHSIUMPLYCJUBT-SCTDSRPQSA-N 1 0 411.550 2.981 40 0 biogenic,in-vitro HFABRO Cn1cc(C[NH2+][C@@H]2[C@@H](c3ccc(C(F)(F)F)nc3)C[C@@H](O)[C@H]2O)c2ccccc21 ZINC000077261969 291227449 /nfs/dbraw/zinc/22/74/49/291227449.db2.gz JTPYGZDVXQLFBY-RARDXLECSA-N 1 0 405.420 2.960 40 0 biogenic,in-vitro HFABRO O=C(Nc1ccccc1)[C@H]1C[N@H+]2CC[C@@H]1C[C@@H]2Cn1cc(C2(O)CCCCC2)nn1 ZINC000008298328 291229241 /nfs/dbraw/zinc/22/92/41/291229241.db2.gz MQPNCVVPGQCVFK-RLLQIKCJSA-N 1 0 409.534 2.779 40 0 biogenic,in-vitro HFABRO O=C(C[NH+]1CCC(n2cnc3cccnc32)CC1)Nc1ccc(N2CCOCC2)cc1 ZINC000012114678 132354269 /nfs/dbraw/zinc/35/42/69/132354269.db2.gz YLEDOTZHTNAFPA-UHFFFAOYSA-N 1 0 420.517 2.544 40 0 HFABRO c1cc(-c2cnc(N3CCOCC3)nc2[C@H]2CCC[N@@H+](C[C@@H]3CCOC3)C2)ccn1 ZINC000019405690 132467269 /nfs/dbraw/zinc/46/72/69/132467269.db2.gz BYXODLRNBQEJRG-ICSRJNTNSA-N 1 0 409.534 2.591 40 0 HFABRO CCCS(=O)(=O)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2C[N@@H+](Cc2ccc(F)cc2)C1 ZINC000020503588 520539903 /nfs/dbraw/zinc/53/99/03/520539903.db2.gz KBVUUTDALNTTOV-DLBZAZTESA-N 1 0 419.522 2.758 40 0 biogenic,in-vitro HFABRO COc1ccccc1CN1CCCc2c(C)nc([C@@H]3CCCN3C(=O)C[NH+](C)C)nc21 ZINC000072373760 524452402 /nfs/dbraw/zinc/45/24/02/524452402.db2.gz ODKSWTITWBPPDQ-FQEVSTJZSA-N 1 0 423.561 2.972 40 0 HFABRO COc1ccc([C@H](CNC(=O)[C@@]2(C)Oc3ccccc3N(C)C2=O)[NH+]2CCCC2)cc1 ZINC000041070674 525356935 /nfs/dbraw/zinc/35/69/35/525356935.db2.gz KWTRRTCXKZIPAC-GBXCKJPGSA-N 1 0 423.513 2.762 40 0 HFABRO O=C(CC[N@H+]1CC[C@]23c4c5c(O)ccc4C[C@H]1[C@H]2C=C[C@@H](O)[C@H]3O5)c1ccccc1 ZINC000005495696 557657722 /nfs/dbraw/zinc/65/77/22/557657722.db2.gz WPQGFQRTZVKRLK-LAPCYIMJSA-N 1 0 403.478 2.841 40 0 HFABRO CN1CN(c2ccccc2)C2(CC[NH+](CC[C@H]3COc4ccccc4O3)CC2)C1=O ZINC000005549765 557660876 /nfs/dbraw/zinc/66/08/76/557660876.db2.gz VTJGTOAUDCODNK-FQEVSTJZSA-N 1 0 407.514 2.987 40 0 HFABRO Cc1cccc2cc(CN(CCC[NH+](C)C)C(=S)NC[C@@H]3CCCO3)c(=O)[nH]c12 ZINC000035312824 557688550 /nfs/dbraw/zinc/68/85/50/557688550.db2.gz FHFGNLJEKVIUQY-IBGZPJMESA-N 1 0 416.591 2.644 40 0 HFABRO COc1cc(C[NH2+]CCCSc2nnnn2-c2ccccc2)cc(OC)c1OC ZINC000007541376 557746339 /nfs/dbraw/zinc/74/63/39/557746339.db2.gz KMAHCXNDOPESCO-UHFFFAOYSA-N 1 0 415.519 2.960 40 0 HFABRO CCCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1([NH2+][C@H]2CC(C)C)C(=O)Nc2c1cccc2Cl ZINC000008995014 557818015 /nfs/dbraw/zinc/81/80/15/557818015.db2.gz YVBFETMUQGQIFV-VCAMNPENSA-N 1 0 403.910 2.907 40 0 HFABRO O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)NCCC[NH+]1CCCC1 ZINC000010450197 558257661 /nfs/dbraw/zinc/25/76/61/558257661.db2.gz MWGMSLBMSYIMRG-UHFFFAOYSA-N 1 0 401.532 2.731 40 0 HFABRO CCOc1ccc(CN2CCCC[C@@H]2c2nc3c(c(NC)n2)CC[NH2+]C3)cc1CO ZINC000019754867 558273753 /nfs/dbraw/zinc/27/37/53/558273753.db2.gz ZMGNBLYPQXLRCJ-HXUWFJFHSA-N 1 0 411.550 2.782 40 0 HFABRO CCc1nn(CC(=O)NCCC[N@@H+]2CCC[C@H](C)C2)c(=O)c2cc3ccsc3n21 ZINC000012114307 558327348 /nfs/dbraw/zinc/32/73/48/558327348.db2.gz ULBHZPHCOSPAPL-HNNXBMFYSA-N 1 0 415.563 2.511 40 0 HFABRO [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCC(O)(Cn2ccc3nc(Cl)ccc32)CC1 ZINC000012163242 558342023 /nfs/dbraw/zinc/34/20/23/558342023.db2.gz SONSAXIEGKMHLK-KRWDZBQOSA-N 1 0 412.921 2.613 40 0 HFABRO COc1ccc2c(c1)CN(C(C)=O)C[C@@H]([C@H]1CCC[N@H+](Cc3cnc(C)nc3)C1)O2 ZINC000012235384 558358530 /nfs/dbraw/zinc/35/85/30/558358530.db2.gz FHTPZEHCBQTDKZ-CVDCTZTESA-N 1 0 410.518 2.815 40 0 HFABRO Oc1ccc2c(c1)[C@@H](O)CC1(CC[NH+](C[C@@H](O)c3ccc4c(c3)OCCO4)CC1)O2 ZINC000012329363 558384034 /nfs/dbraw/zinc/38/40/34/558384034.db2.gz HXWDHHGYIQZJAL-RBUKOAKNSA-N 1 0 413.470 2.548 40 0 HFABRO C[NH+](C)CCNC(=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1 ZINC000013649201 558557878 /nfs/dbraw/zinc/55/78/78/558557878.db2.gz VMSAWJDMXPDXRF-UHFFFAOYSA-N 1 0 409.939 2.598 40 0 HFABRO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCC[NH+]1CCCCC1 ZINC000013673287 558563395 /nfs/dbraw/zinc/56/33/95/558563395.db2.gz DCTPFVQKXMRJPG-UHFFFAOYSA-N 1 0 407.580 2.775 40 0 HFABRO O=C1CCCN1c1ccc(S(=O)(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000026843198 558665661 /nfs/dbraw/zinc/66/56/61/558665661.db2.gz KQDODUZYMREGIR-UHFFFAOYSA-N 1 0 413.543 2.888 40 0 HFABRO COc1ccccc1N1CC[NH+](C[C@@H](O)c2ccc3c(c2)CCCN3C(C)=O)CC1 ZINC000036741179 558801869 /nfs/dbraw/zinc/80/18/69/558801869.db2.gz KFEWELSLWZTLHK-HSZRJFAPSA-N 1 0 409.530 2.850 40 0 HFABRO C[C@@H](C(=O)N1CCNC(=O)[C@H](Cc2ccccc2-c2ccncc2)C1)[NH+]1CCCCC1 ZINC000019079215 558838822 /nfs/dbraw/zinc/83/88/22/558838822.db2.gz GLVGSWVHYNAPSC-SIKLNZKXSA-N 1 0 420.557 2.740 40 0 HFABRO C/C(Cl)=C/CNC(=O)CN1CC2(CC[NH+](C)CC2)Oc2ccc(C)cc2C1=O ZINC000019218558 558851214 /nfs/dbraw/zinc/85/12/14/558851214.db2.gz OMUDNXWRMUGAHV-SOFYXZRVSA-N 1 0 405.926 2.553 40 0 HFABRO Cc1ccn(CCC(=O)NC2CC[NH+](Cc3cc(-c4ccc(F)cc4)nn3C)CC2)n1 ZINC000019238100 558857165 /nfs/dbraw/zinc/85/71/65/558857165.db2.gz FFHYHLKNCHBLDM-UHFFFAOYSA-N 1 0 424.524 2.902 40 0 HFABRO Cn1nccc1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](C1CCCCC1)C2 ZINC000019289138 558862100 /nfs/dbraw/zinc/86/21/00/558862100.db2.gz QVDCLRCVAMVUEC-LJQANCHMSA-N 1 0 424.549 2.974 40 0 HFABRO O=C(Cc1ccc(F)cc1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](C2CCCC2)C3)C1 ZINC000019333167 558868986 /nfs/dbraw/zinc/86/89/86/558868986.db2.gz KZFYFJDIJPSBEQ-QGZVFWFLSA-N 1 0 424.520 2.768 40 0 HFABRO O=C(C1CCC1)N1CCc2c(=O)[nH]c([C@@H]3CC[N@@H+](Cc4ccccc4F)C3)nc2C1 ZINC000019348842 558874572 /nfs/dbraw/zinc/87/45/72/558874572.db2.gz JSJGFEOIVPEKRP-QGZVFWFLSA-N 1 0 410.493 2.583 40 0 HFABRO O=C(c1cnccn1)N1Cc2ccccc2OC2(CCC([NH+]3CCOCC3)CC2)C1 ZINC000019375581 558881720 /nfs/dbraw/zinc/88/17/20/558881720.db2.gz MTSDUELCFLYRBK-UHFFFAOYSA-N 1 0 408.502 2.525 40 0 HFABRO O=C1CCCC[C@]2(C[N@H+](Cc3cnc(N4CCCCC4)nc3)C[C@H]2c2ccccn2)N1 ZINC000019402276 558883740 /nfs/dbraw/zinc/88/37/40/558883740.db2.gz BYOBZVFIXPYLHW-GBXCKJPGSA-N 1 0 420.561 2.890 40 0 HFABRO C[C@@H](CCC(=O)N1CCN([C@@H](c2nccn2C)c2ccccc2)CC1)[NH+]1CCCC1 ZINC000019455576 558891875 /nfs/dbraw/zinc/89/18/75/558891875.db2.gz UYOHZCNGGLLKKV-NZQKXSOJSA-N 1 0 409.578 2.918 40 0 HFABRO CCCC(=O)N1CCc2nc([C@H]3CCC[N@H+](Cc4ccccc4F)C3)[nH]c(=O)c2C1 ZINC000019501595 558899728 /nfs/dbraw/zinc/89/97/28/558899728.db2.gz XRPJXXJBJXMXDW-KRWDZBQOSA-N 1 0 412.509 2.973 40 0 HFABRO CC[NH+]1CCC(n2nccc2NC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)CC1 ZINC000019527048 558908062 /nfs/dbraw/zinc/90/80/62/558908062.db2.gz UIDQIAHWGHLXIV-INIZCTEOSA-N 1 0 411.506 2.540 40 0 HFABRO COc1ccc(C[N@@H+]2C[C@@H](c3cccc(F)c3)[C@]3(C2)COCCC(=O)N3)c(OC)c1 ZINC000019552520 558916006 /nfs/dbraw/zinc/91/60/06/558916006.db2.gz CNDWGOGQRXJERS-REWPJTCUSA-N 1 0 414.477 2.718 40 0 HFABRO C=Cn1cc(C[NH+]2CCC(n3nnc4c3nc(CSCC)[nH]c4=O)CC2)c(C)n1 ZINC000072337404 558937790 /nfs/dbraw/zinc/93/77/90/558937790.db2.gz GCJWXDMDIFSPIF-UHFFFAOYSA-N 1 0 414.539 2.623 40 0 HFABRO COc1ccccc1OCCc1cc([C@@H]2CC[N@H+](Cc3cnc(N(C)C)nc3)C2)[nH]n1 ZINC000072371486 558958373 /nfs/dbraw/zinc/95/83/73/558958373.db2.gz YRDSMZQEAZLZOY-GOSISDBHSA-N 1 0 422.533 2.885 40 0 HFABRO COCC[N@H+](Cc1ccc(N2CCCC2=O)cc1)Cc1ccc2c(c1)n(C)c(=O)n2C ZINC000072391961 558971689 /nfs/dbraw/zinc/97/16/89/558971689.db2.gz FHSISRUGBRMSQT-UHFFFAOYSA-N 1 0 422.529 2.652 40 0 HFABRO COCC[N@H+](C[C@@H]1CC2(CO1)CCN(C(=O)Cc1ccc(O)cc1)CC2)C(C)C ZINC000585104215 559026363 /nfs/dbraw/zinc/02/63/63/559026363.db2.gz MYNZMDKKXFZPQF-NRFANRHFSA-N 1 0 404.551 2.689 40 0 HFABRO CC(C)CN1C[C@]2(CC1=O)COCC[N@H+](Cc1ccc(-c3csnn3)cc1)C2 ZINC000585103249 559026553 /nfs/dbraw/zinc/02/65/53/559026553.db2.gz APTONOXBOMNECJ-OAQYLSRUSA-N 1 0 400.548 2.912 40 0 HFABRO Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)[C@@H]2C[N@H+](Cc4ccccc4)C[C@@H]23)cc1F ZINC000585106203 559028500 /nfs/dbraw/zinc/02/85/00/559028500.db2.gz DBIDHXKODLQNLY-RTWAWAEBSA-N 1 0 421.516 2.987 40 0 HFABRO CC[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)Cc2ccccc2Cl)CC1 ZINC000585106181 559028535 /nfs/dbraw/zinc/02/85/35/559028535.db2.gz VUQZLOHMPPDKCW-QRQLOZEOSA-N 1 0 417.981 2.968 40 0 HFABRO Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)[C@@H]2C[N@H+](CC4CCCC4)C[C@@H]23)s1 ZINC000585106271 559028709 /nfs/dbraw/zinc/02/87/09/559028709.db2.gz KJVZINDBIBZQJD-MSOLQXFVSA-N 1 0 401.576 2.899 40 0 HFABRO CCN1CC[C@@]2(CN(C(=O)N(C)C)CC23CC[NH+](Cc2ccc(F)cc2)CC3)C1=O ZINC000096036579 559090458 /nfs/dbraw/zinc/09/04/58/559090458.db2.gz XJVQJXUEKUDMFY-HSZRJFAPSA-N 1 0 416.541 2.644 40 0 HFABRO Cc1nc(CN2CCN(C)C3(CC[NH+](Cc4ccc(F)cc4)CC3)C2=O)cs1 ZINC000096050108 559092079 /nfs/dbraw/zinc/09/20/79/559092079.db2.gz CROJJXYFXRFCHG-UHFFFAOYSA-N 1 0 402.539 2.899 40 0 HFABRO C[NH+](C)CCN1CCOC[C@]2(CCCN(C(=O)c3ccc(-n4cccc4)cc3)C2)C1 ZINC000096076355 559094606 /nfs/dbraw/zinc/09/46/06/559094606.db2.gz PLGYUZBNKKWWHY-XMMPIXPASA-N 1 0 410.562 2.594 40 0 HFABRO CC(C)C[N@@H+]1CC2(CCN(C(=O)c3ccc4[nH]ccc4c3)CC2)[C@@]2(CCNC2=O)C1 ZINC000096144156 559096466 /nfs/dbraw/zinc/09/64/66/559096466.db2.gz LLSVPUNYQFCNMK-DEOSSOPVSA-N 1 0 408.546 2.868 40 0 HFABRO CCN1CC[C@]2(C[N@H+](CC(C)C)CC23CCN(C(=O)c2cncc(C)c2)CC3)C1=O ZINC000096144311 559096686 /nfs/dbraw/zinc/09/66/86/559096686.db2.gz KBGMINLWRNJKJB-DEOSSOPVSA-N 1 0 412.578 2.823 40 0 HFABRO C[NH+](C)[C@H]1CCN(C(=O)c2ccn(-c3ccc4ccc(-c5ccncc5)cn43)n2)C1 ZINC000096155377 559099592 /nfs/dbraw/zinc/09/95/92/559099592.db2.gz DRPICHCODOQBCH-FQEVSTJZSA-N 1 0 400.486 2.963 40 0 HFABRO COCC[NH+]1CCN(c2ccc3ccc(C(=O)Nc4ccc(OC)cc4)cn32)CC1 ZINC000096267351 559108053 /nfs/dbraw/zinc/10/80/53/559108053.db2.gz XQWNPGSHMWMMIM-UHFFFAOYSA-N 1 0 408.502 2.969 40 0 HFABRO CCCc1cnc(Nc2cccc(C3CCN(C(=O)[C@H]4C[NH2+]CCO4)CC3)n2)s1 ZINC000585262960 559111631 /nfs/dbraw/zinc/11/16/31/559111631.db2.gz GDGFNXVRIAOMHR-GOSISDBHSA-N 1 0 415.563 2.929 40 0 HFABRO CCOc1ccccc1OC[C@@H](O)C[N@H+](C)Cc1ccc(OC)c(OCCOC)c1 ZINC000585269961 559116195 /nfs/dbraw/zinc/11/61/95/559116195.db2.gz RCAQNXUCJQNKIH-IBGZPJMESA-N 1 0 419.518 2.991 40 0 HFABRO O=C(C[N@H+]1CCC[C@](O)(COc2ccccc2F)CC1)NCc1cccc(F)c1 ZINC000585273481 559117458 /nfs/dbraw/zinc/11/74/58/559117458.db2.gz OODHCQRSMAFYMZ-JOCHJYFZSA-N 1 0 404.457 2.877 40 0 HFABRO CCN1CC[C@@]2(CN(c3ncccn3)CC23CC[NH+](Cc2ccc(F)cc2)CC3)C1=O ZINC000097952896 559125074 /nfs/dbraw/zinc/12/50/74/559125074.db2.gz JTNDTMHAIZURLQ-XMMPIXPASA-N 1 0 423.536 2.957 40 0 HFABRO Cc1cc(C)nc(Nc2cc(CC3CCN(C(=O)/C=C/C[NH+](C)C)CC3)ncn2)n1 ZINC000585293131 559125616 /nfs/dbraw/zinc/12/56/16/559125616.db2.gz XTHGNXHJIOEUQG-AATRIKPKSA-N 1 0 409.538 2.526 40 0 HFABRO Cc1cc(C)nc(Nc2cc([C@@H]3CCCN(C(=O)/C=C/C[NH+](C)C)C3)nc(C)n2)n1 ZINC000585293112 559125642 /nfs/dbraw/zinc/12/56/42/559125642.db2.gz XAJPIHYBYJALRI-PDFOZTTASA-N 1 0 409.538 2.759 40 0 HFABRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccnc2N2CC[NH+](C)CC2)cc1 ZINC000072216591 559169548 /nfs/dbraw/zinc/16/95/48/559169548.db2.gz XSTMACVGZRGVJW-HXUWFJFHSA-N 1 0 400.548 2.668 40 0 HFABRO C[NH+]1CCC(CCNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)CC1 ZINC000110074286 559172624 /nfs/dbraw/zinc/17/26/24/559172624.db2.gz NYKILUJGAMEYMA-UHFFFAOYSA-N 1 0 413.971 2.586 40 0 HFABRO C[N@H+](Cc1ccc(OCc2ccccn2)cc1)C[C@]1(O)CCCN(c2cnccn2)C1 ZINC000257241904 559284189 /nfs/dbraw/zinc/28/41/89/559284189.db2.gz IAEBQSOXVVMAHC-XMMPIXPASA-N 1 0 419.529 2.914 40 0 HFABRO Cc1ccc(S(=O)(=O)N2CC3(CC[NH2+]CC3)OC[C@H]2Cc2ccccc2)cc1 ZINC000257297950 559285917 /nfs/dbraw/zinc/28/59/17/559285917.db2.gz RJMBFLFWCXKGJX-HXUWFJFHSA-N 1 0 400.544 2.749 40 0 HFABRO O=C(NCc1cccnc1)[C@H]1C[N@@H+]2CC[C@@H]1C[C@@H]2Cn1cc(CC2CCCCC2)nn1 ZINC000008254221 560107896 /nfs/dbraw/zinc/10/78/96/560107896.db2.gz HAYDXWNACVCRHA-MZYLBHOOSA-N 1 0 422.577 2.823 40 0 biogenic,in-vitro HFABRO COc1ccc2[nH]c(=O)c(CN(CC[NH+](C)C)C(=S)NCc3ccco3)cc2c1 ZINC000004133584 560600605 /nfs/dbraw/zinc/60/06/05/560600605.db2.gz BQKFRBHRLIYZKF-UHFFFAOYSA-N 1 0 414.531 2.568 40 0 HFABRO COc1ccc(NC(=O)NC2(C(=O)N3CC[N@@H+]4CCC[C@H]4C3)CCCCC2)cc1 ZINC000004982006 560623093 /nfs/dbraw/zinc/62/30/93/560623093.db2.gz RLRWWQUCRQGFIR-SFHVURJKSA-N 1 0 400.523 2.826 40 0 HFABRO COc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(F)cc3)[C@H]2c2ccccc2)cc1 ZINC000409055631 560671555 /nfs/dbraw/zinc/67/15/55/560671555.db2.gz CSISEAKPYCNXNZ-DCFWFYTKSA-O 1 0 418.448 2.850 40 0 HFABRO C[NH+](C)CCCNC(=O)c1cc2ccccc2cc1OCC(=O)Nc1nccs1 ZINC000021085586 568461271 /nfs/dbraw/zinc/46/12/71/568461271.db2.gz UNBTZSRZBUREPE-UHFFFAOYSA-N 1 0 412.515 2.995 40 0 HFABRO CC[C@H](C(=O)NC1CC[NH+](C)CC1)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000220706687 568508501 /nfs/dbraw/zinc/50/85/01/568508501.db2.gz XPTNCIHOGXJERY-MRXNPFEDSA-N 1 0 422.378 2.748 40 0 HFABRO Cc1cccc(C)c1N(Cc1ccc(C(=O)NCC[NH+](C)C)cc1)S(C)(=O)=O ZINC000222547512 568517939 /nfs/dbraw/zinc/51/79/39/568517939.db2.gz CKPAIFPWAFICJE-UHFFFAOYSA-N 1 0 403.548 2.561 40 0 HFABRO COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000223843859 568560567 /nfs/dbraw/zinc/56/05/67/568560567.db2.gz AAICWMPNMLAJAM-UHFFFAOYSA-N 1 0 423.922 2.679 40 0 HFABRO CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCCC2CC[NH+](C)CC2)c1 ZINC000224111975 568570397 /nfs/dbraw/zinc/57/03/97/568570397.db2.gz KDDXNBWBEVFKIY-UHFFFAOYSA-N 1 0 415.559 2.973 40 0 HFABRO CN(c1cccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1)S(C)(=O)=O ZINC000224533499 568583839 /nfs/dbraw/zinc/58/38/39/568583839.db2.gz JZWUTBJTLGTFOG-UHFFFAOYSA-N 1 0 415.559 2.998 40 0 HFABRO CN([C@@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1ccccc1)S(C)(=O)=O ZINC000224638969 568590011 /nfs/dbraw/zinc/59/00/11/568590011.db2.gz GTPFLFWMQHGTQA-OAQYLSRUSA-N 1 0 415.559 2.531 40 0 HFABRO COC(=O)CSc1nnc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)s1 ZINC000225475754 568641406 /nfs/dbraw/zinc/64/14/06/568641406.db2.gz ZCIZCFOVUMVISA-CYBMUJFWSA-N 1 0 424.523 2.793 40 0 HFABRO NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCN1Cc1ccccc1OCc1ccccn1 ZINC000257202303 568776785 /nfs/dbraw/zinc/77/67/85/568776785.db2.gz ALFBLGQKGPSJNT-QHCPKHFHSA-N 1 0 416.525 2.832 40 0 HFABRO CC1CC[NH+](CC(=O)N2CCC(COc3ccc(Cl)cc3)(CC(N)=O)CC2)CC1 ZINC000257229013 568784447 /nfs/dbraw/zinc/78/44/47/568784447.db2.gz FWGADNNWORYQJF-UHFFFAOYSA-N 1 0 421.969 2.935 40 0 HFABRO Cc1cc(C)n(CC(=O)N2[C@@H]3CCC[C@@H]4[NH2+][C@@H](C[C@@]43C)[C@@H]2Cc2ccccc2)c(=O)n1 ZINC000257248315 568789701 /nfs/dbraw/zinc/78/97/01/568789701.db2.gz JDBZHGSNNILZIU-ZWCDFLAXSA-N 1 0 420.557 2.603 40 0 HFABRO C[NH+](C)CCN(CCO)C(=O)c1ccc2c(c1)C[C@@](C)(Cc1ccccc1F)O2 ZINC000257269355 568795381 /nfs/dbraw/zinc/79/53/81/568795381.db2.gz MPQDOBBZMZGIFK-HSZRJFAPSA-N 1 0 400.494 2.758 40 0 HFABRO O=C(c1c[nH]nc1[C@H]1CCC[N@H+](Cc2ccnc3ccccc23)C1)N1CCOCC1 ZINC000257286823 568800729 /nfs/dbraw/zinc/80/07/29/568800729.db2.gz PNEWNRPQTDHETD-SFHVURJKSA-N 1 0 405.502 2.810 40 0 HFABRO C[N@@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C(=O)c1cc(=O)[nH]c(N)n1)[C@H]2Cc1ccccc1 ZINC000257307243 568806682 /nfs/dbraw/zinc/80/66/82/568806682.db2.gz SXVCQRSOQJEVJE-VOSKCVMKSA-N 1 0 421.545 2.853 40 0 HFABRO Cc1n[nH]c(C)c1CCC(=O)N1CCC[C@@](C)(C(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000257321634 568810889 /nfs/dbraw/zinc/81/08/89/568810889.db2.gz WCLWIJYUVRPQRW-HSZRJFAPSA-N 1 0 417.598 2.577 40 0 HFABRO COc1ccc(C[N@H+](C)C[C@@]2(O)CCCN(C(=O)CC3(O)CCCCC3)CC2)cc1 ZINC000257329793 568813060 /nfs/dbraw/zinc/81/30/60/568813060.db2.gz XLOHRFBLJFGGAD-XMMPIXPASA-N 1 0 418.578 2.956 40 0 HFABRO COc1ccc(NC(=O)c2nnc3n2C[C@@H]2C[N@@H+](Cc4cccc(F)c4)C[C@H]2C3)cc1 ZINC000306124186 568887279 /nfs/dbraw/zinc/88/72/79/568887279.db2.gz BIQKRLOSIWIFIY-SJORKVTESA-N 1 0 421.476 2.982 40 0 HFABRO Cc1ncsc1C[NH+]1CCC2(CCc3nnc(C(=O)NC4CCC4)n3C2)CC1 ZINC000306126027 568888552 /nfs/dbraw/zinc/88/85/52/568888552.db2.gz DJYRDKAHUAVOHF-UHFFFAOYSA-N 1 0 400.552 2.554 40 0 HFABRO O=C(NCc1ccccc1)c1nnc2n1C[C@@H]1C[N@@H+](CCc3ccccc3)C[C@H]1C2 ZINC000306126338 568889162 /nfs/dbraw/zinc/88/91/62/568889162.db2.gz DSZGIHYUTIXSTI-RTWAWAEBSA-N 1 0 401.514 2.555 40 0 HFABRO COc1ccccc1C[N@H+]1C[C@@H]2Cc3nnc(C(=O)NCc4ccccc4)n3C[C@@H]2C1 ZINC000306126704 568889487 /nfs/dbraw/zinc/88/94/87/568889487.db2.gz FCTAFGHCCDETEJ-PMACEKPBSA-N 1 0 417.513 2.521 40 0 HFABRO COc1ccccc1C[N@H+]1C[C@@H]2Cc3nnc(C(=O)NCc4ccccc4)n3C[C@H]2C1 ZINC000306126706 568889590 /nfs/dbraw/zinc/88/95/90/568889590.db2.gz FCTAFGHCCDETEJ-VQTJNVASSA-N 1 0 417.513 2.521 40 0 HFABRO CC[C@H](C)NC(=O)c1nnc2n1CC1(CC[NH+](Cc3ccc(C)s3)CC1)COC2 ZINC000306129265 568891910 /nfs/dbraw/zinc/89/19/10/568891910.db2.gz HYYSCMKJOMSLQZ-HNNXBMFYSA-N 1 0 417.579 2.989 40 0 HFABRO O=C1N(Cc2ccccc2)CCO[C@]12C[N@H+](Cc1cccnc1)C[C@@H]2c1cccnc1 ZINC000306130358 568892761 /nfs/dbraw/zinc/89/27/61/568892761.db2.gz JDKBTWHNXDXAHP-NOZRDPDXSA-N 1 0 414.509 2.874 40 0 HFABRO CN1CC2(CC[NH+](Cc3ccc(F)cc3)CC2)COc2ncccc2S1(=O)=O ZINC000306133421 568895295 /nfs/dbraw/zinc/89/52/95/568895295.db2.gz MKRRFRJMNLGKHS-UHFFFAOYSA-N 1 0 405.495 2.516 40 0 HFABRO CS(=O)(=O)N[C@@H]1CCN(Cc2cccs2)C[C@]12CC[N@H+](Cc1ccccc1)C2 ZINC000306133891 568895913 /nfs/dbraw/zinc/89/59/13/568895913.db2.gz MYPBWZGBZMZKSP-RTWAWAEBSA-N 1 0 419.616 2.764 40 0 HFABRO COc1ccc(NC(=O)c2nnc3n2C[C@@H]2C[N@@H+](Cc4cccc(C)n4)C[C@@H]2C3)cc1 ZINC000306136006 568898030 /nfs/dbraw/zinc/89/80/30/568898030.db2.gz PGJFWCYTMSLNTL-IRXDYDNUSA-N 1 0 418.501 2.547 40 0 HFABRO O=C1N(Cc2cccnc2)CCO[C@]12C[N@H+](Cc1cccs1)C[C@H]2c1cccnc1 ZINC000306138237 568900116 /nfs/dbraw/zinc/90/01/16/568900116.db2.gz RSXRIJIMUMDSEM-GMAHTHKFSA-N 1 0 420.538 2.935 40 0 HFABRO O=C1N(Cc2ccccc2)CCO[C@]12C[N@H+](Cc1ccccn1)C[C@@H]2c1cccnc1 ZINC000306142293 568903732 /nfs/dbraw/zinc/90/37/32/568903732.db2.gz WVMSNBNZUDXNJS-NOZRDPDXSA-N 1 0 414.509 2.874 40 0 HFABRO Cc1nnc(CCC(=O)N2CCO[C@]3(CCCC[C@H]3[NH2+]Cc3cccnc3)C2)s1 ZINC000306144494 568905832 /nfs/dbraw/zinc/90/58/32/568905832.db2.gz ZGNOAGAZCVTYKD-WIYYLYMNSA-N 1 0 415.563 2.504 40 0 HFABRO CC(C)(C)OC(=O)N[C@@]1(C[NH3+])[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1cccc(F)c1 ZINC000242522223 568963562 /nfs/dbraw/zinc/96/35/62/568963562.db2.gz IMWMOEVGGCHCBX-DBXWQHBBSA-N 1 0 420.506 2.988 40 0 HFABRO CCOC[C@@]1(C[NH3+])[C@H](S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccc2c(c1)OCO2 ZINC000242592444 568967904 /nfs/dbraw/zinc/96/79/04/568967904.db2.gz OUSLNOBMRLNRBX-NJDAHSKKSA-N 1 0 403.500 2.645 40 0 HFABRO C[NH+](C)CCNc1nc(Nc2cccc(OC(F)(F)F)c2)cc(C(F)(F)F)n1 ZINC000329035404 568973998 /nfs/dbraw/zinc/97/39/98/568973998.db2.gz REFOVKAEXVZFQT-UHFFFAOYSA-N 1 0 409.334 2.955 40 0 HFABRO CC[C@@H](C)[C@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 ZINC000016020600 569025784 /nfs/dbraw/zinc/02/57/84/569025784.db2.gz BHKTUHAQVLFBBP-KFGFINRWSA-N 1 0 421.472 2.792 40 0 HFABRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2N)CC1 ZINC000226263730 569278912 /nfs/dbraw/zinc/27/89/12/569278912.db2.gz PITGGFOQOOBEKZ-UHFFFAOYSA-N 1 0 414.506 2.689 40 0 HFABRO COc1ccc(C)cc1C[N@@H+]1C[C@H](C(=O)N(C)C)[C@]2(C1)CCc1ccccc1C(=O)N2 ZINC000019133186 569345276 /nfs/dbraw/zinc/34/52/76/569345276.db2.gz RNBMAWZXLBZPRO-PXDATVDWSA-N 1 0 421.541 2.639 40 0 HFABRO COc1ncc(C[N@@H+]2CC[C@H](c3c(CNC(C)=O)cnn3-c3ccc(C)cc3)C2)cn1 ZINC000019708010 569348077 /nfs/dbraw/zinc/34/80/77/569348077.db2.gz FWXFCVRWUDJKBA-IBGZPJMESA-N 1 0 420.517 2.605 40 0 HFABRO CC(=O)Nc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@H](C3)C[N@@H+](C3CCN(C)CC3)C2)cc1 ZINC000020503538 575370090 /nfs/dbraw/zinc/37/00/90/575370090.db2.gz NWHLZTSKNSOBJW-AZUAARDMSA-N 1 0 420.557 2.987 40 0 biogenic,in-vitro HFABRO COc1ccc(-c2cc(C[C@@H]3CC[C@H](O)[C@@H](C[NH2+]C4CCOCC4)O3)no2)cc1 ZINC000077263357 291224249 /nfs/dbraw/zinc/22/42/49/291224249.db2.gz WNLNDFCTNMNCHE-JAXLGGSGSA-N 1 0 402.491 2.570 40 0 biogenic,in-vitro HFABRO O=C(NC[C@H]1C[C@@H]2CCN1C[C@@H]2C[NH+]1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000008636237 291227868 /nfs/dbraw/zinc/22/78/68/291227868.db2.gz IYHOXNCOAQTCLD-SONWIMMPSA-N 1 0 418.585 2.949 40 0 biogenic,in-vitro HFABRO C[C@@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1CCc2c(=O)[nH]c(N3CCC[C@@H](C)C3)nc2C1 ZINC000012184757 132356201 /nfs/dbraw/zinc/35/62/01/132356201.db2.gz TZYYXZFSOYCCLX-SJORKVTESA-N 1 0 424.545 2.972 40 0 HFABRO CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(C)C)[NH2+][C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000043730154 522105677 /nfs/dbraw/zinc/10/56/77/522105677.db2.gz AZBQPUGGUIPFCL-RXKDXDIWSA-N 1 0 403.910 2.905 40 0 HFABRO CN(c1ccccc1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)S(C)(=O)=O ZINC000041838915 523653081 /nfs/dbraw/zinc/65/30/81/523653081.db2.gz HDCUTMBVAQIFJY-UHFFFAOYSA-N 1 0 415.559 2.998 40 0 HFABRO C[C@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000044857322 526077249 /nfs/dbraw/zinc/07/72/49/526077249.db2.gz JPSJNNMLQQFUJO-GOSISDBHSA-N 1 0 415.559 2.753 40 0 HFABRO CC[NH+](CC)CCN(S(=O)(=O)Cc1ccccc1)S(=O)(=O)Cc1ccccc1 ZINC000005469532 557655548 /nfs/dbraw/zinc/65/55/48/557655548.db2.gz RRDQITRATDNKCS-UHFFFAOYSA-N 1 0 424.588 2.690 40 0 HFABRO Cc1c(C[N@@H+]2CCC[C@@H](c3nc(C)c4c(n3)N(CC3CC3)C(=O)CC4)C2)cnn1C ZINC000019741353 558262036 /nfs/dbraw/zinc/26/20/36/558262036.db2.gz JFRAGZQAGPMGHD-GOSISDBHSA-N 1 0 408.550 2.896 40 0 HFABRO CS(=O)(=O)Nc1ccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000011716393 558271843 /nfs/dbraw/zinc/27/18/43/558271843.db2.gz YNIMFGDNCTUTAO-UHFFFAOYSA-N 1 0 401.532 2.974 40 0 HFABRO CN(C)C(=O)C[N@@H+]1CC[C@H](c2cc(C(=O)Nc3nccs3)c3ccccc3n2)C1 ZINC000019760976 558276478 /nfs/dbraw/zinc/27/64/78/558276478.db2.gz ZKNLIPZCWTUCMN-AWEZNQCLSA-N 1 0 409.515 2.821 40 0 HFABRO COc1ccc(S(=O)(=O)N2Cc3ccccc3OC3(CC[NH+](C)CC3)C2)cc1 ZINC000012365200 558387615 /nfs/dbraw/zinc/38/76/15/558387615.db2.gz FFDHRGSBKXDUAO-UHFFFAOYSA-N 1 0 402.516 2.743 40 0 HFABRO COc1ccccc1/C=C/C[N@@H+]1C[C@H]2[C@H](CC[C@]2(O)c2cnc(OC)nc2OC)C1 ZINC000012407215 558398460 /nfs/dbraw/zinc/39/84/60/558398460.db2.gz XBBKFDYGJGAOPF-OHLJYHLKSA-N 1 0 411.502 2.745 40 0 HFABRO CC[C@H](CN1CC[NH+](C)CC1)NC(=O)Cc1sc(C)nc1-c1ccc(OC)cc1 ZINC000022461509 558490968 /nfs/dbraw/zinc/49/09/68/558490968.db2.gz UCIWUQAFIWRWFY-GOSISDBHSA-N 1 0 416.591 2.812 40 0 HFABRO Cc1ccc(N(CC(=O)NCCC[NH+](C)C)S(=O)(=O)c2ccccc2)cc1Cl ZINC000013670325 558561703 /nfs/dbraw/zinc/56/17/03/558561703.db2.gz NXZMBTVLJPMFHI-UHFFFAOYSA-N 1 0 423.966 2.912 40 0 HFABRO CN(CC(=O)NCc1ccccc1C[NH+]1CCCCC1)S(=O)(=O)c1ccccc1 ZINC000025073668 558630622 /nfs/dbraw/zinc/63/06/22/558630622.db2.gz DQJGFSYONNWBSG-UHFFFAOYSA-N 1 0 415.559 2.609 40 0 HFABRO CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCC[NH+]1CCCC1 ZINC000068605689 558863947 /nfs/dbraw/zinc/86/39/47/558863947.db2.gz GZUJLKSCCFZQFI-LJQANCHMSA-N 1 0 400.523 2.816 40 0 HFABRO CC(C)NC(=O)Cn1cc(C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)c2ccccc21 ZINC000019449931 558888434 /nfs/dbraw/zinc/88/84/34/558888434.db2.gz KIIWAJNTDAHMKO-OAQYLSRUSA-N 1 0 412.578 2.853 40 0 HFABRO CCc1nccn1CC(=O)NC1CC[NH+](Cc2cc(-c3ccccc3F)nn2C)CC1 ZINC000019523522 558904736 /nfs/dbraw/zinc/90/47/36/558904736.db2.gz PZVIZBLGPVNHHL-UHFFFAOYSA-N 1 0 424.524 2.766 40 0 HFABRO Cc1nn(CC(=O)NCCn2nc(-c3ccccc3F)cc2C[NH+](C)C)c(C)c1C ZINC000019556652 558919087 /nfs/dbraw/zinc/91/90/87/558919087.db2.gz CHCXIZDOUHXMGX-UHFFFAOYSA-N 1 0 412.513 2.689 40 0 HFABRO COc1ccccc1C[N@@H+]1CCC[C@@]2(C1)CN(S(C)(=O)=O)Cc1ccccc1O2 ZINC000019570396 558929255 /nfs/dbraw/zinc/92/92/55/558929255.db2.gz XMHAQJHNFJWLKM-JOCHJYFZSA-N 1 0 416.543 2.884 40 0 HFABRO COc1ccc2c(c1)CN(C(C)=O)C[C@@H]([C@@H]1CCC[N@H+](Cc3cn(C)nc3C)C1)O2 ZINC000019583789 558937997 /nfs/dbraw/zinc/93/79/97/558937997.db2.gz RFUNNJPYRIUQHL-JPYJTQIMSA-N 1 0 412.534 2.759 40 0 HFABRO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+](CC(=O)N2CCC(C(N)=O)CC2)C1 ZINC000019659198 558950744 /nfs/dbraw/zinc/95/07/44/558950744.db2.gz GRLMPCCOZMYSKX-GOSISDBHSA-N 1 0 411.550 2.521 40 0 HFABRO CC(=O)N1CC[N@H+](Cc2ccc3ncccc3c2)C[C@@H](Cc2cc(N(C)C)ncn2)C1 ZINC000072355196 558952625 /nfs/dbraw/zinc/95/26/25/558952625.db2.gz XXYUXOPNHPXPIW-HXUWFJFHSA-N 1 0 418.545 2.614 40 0 HFABRO Cc1cc2oc(=O)cc(C)c2cc1OC[C@@H](O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000019691005 558960620 /nfs/dbraw/zinc/96/06/20/558960620.db2.gz DZHKOFQGQKGJRS-FQEVSTJZSA-N 1 0 408.498 2.972 40 0 HFABRO CNc1nc([C@@H]2CCC[NH2+]2)nc2c1CN(CC(=O)N(Cc1ccccc1)C(C)C)CC2 ZINC000019710816 558972874 /nfs/dbraw/zinc/97/28/74/558972874.db2.gz QPSMUBOLMAFCTQ-NRFANRHFSA-N 1 0 422.577 2.738 40 0 HFABRO CNc1nc(C2CC[NH+](C)CC2)nc2c1CCN(C(=O)c1ccc3c(c1)C[C@@H](C)O3)C2 ZINC000019710907 558973191 /nfs/dbraw/zinc/97/31/91/558973191.db2.gz RXRMXEWBXDEQLJ-OAHLLOKOSA-N 1 0 421.545 2.849 40 0 HFABRO O=C(C[N@@H+]1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CCC[C@H]2CCCC[C@H]21 ZINC000257299060 559009441 /nfs/dbraw/zinc/00/94/41/559009441.db2.gz ROOULFYYWGUYBD-SVFBPWRDSA-N 1 0 412.578 2.940 40 0 HFABRO Cc1cncnc1N1CCC2(CC[C@@H](CNC(=O)CC[NH+]3CCCCC3)OC2)CC1 ZINC000585101334 559024752 /nfs/dbraw/zinc/02/47/52/559024752.db2.gz YUZGJUTVDDJBPV-FQEVSTJZSA-N 1 0 415.582 2.543 40 0 HFABRO CCc1ccccc1C(=O)N1CCC2(CO[C@H](C[N@@H+]3CC[C@@H](C)[C@H](O)C3)C2)CC1 ZINC000585104601 559027148 /nfs/dbraw/zinc/02/71/48/559027148.db2.gz RBWYCTQPEVULPI-KAGYGMCKSA-N 1 0 400.563 2.963 40 0 HFABRO Cc1ccc(C2(C(=O)N3CCC4(CC3)NC(=O)[C@@H]3C[N@@H+](CC(C)C)C[C@@H]34)CC2)cc1 ZINC000585106036 559028271 /nfs/dbraw/zinc/02/82/71/559028271.db2.gz GQIRQOOWJDZMLO-RTWAWAEBSA-N 1 0 409.574 2.722 40 0 HFABRO COc1cccc(C(=O)N2CCC3(CC2)NC(=O)[C@@H]2C[N@H+](Cc4ccccc4)C[C@@H]23)c1 ZINC000585106217 559028592 /nfs/dbraw/zinc/02/85/92/559028592.db2.gz FNLJPBAZUALMJB-YADHBBJMSA-N 1 0 419.525 2.548 40 0 HFABRO CCCC[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)C2(c3ccc(C)cc3)CC2)CC1 ZINC000585106326 559028680 /nfs/dbraw/zinc/02/86/80/559028680.db2.gz VAPPNPISLBPUGZ-RTWAWAEBSA-N 1 0 409.574 2.866 40 0 HFABRO C[N@@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CCN(C(=O)c1cccs1)CC3 ZINC000096036311 559089960 /nfs/dbraw/zinc/08/99/60/559089960.db2.gz QFDWJXYDYVNKFV-PGRDOPGGSA-N 1 0 401.576 2.935 40 0 HFABRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(C(=O)N3CCCC3)CC2)c2ccccc21 ZINC000096052918 559092805 /nfs/dbraw/zinc/09/28/05/559092805.db2.gz YKMLYYCJHFGINR-IBGZPJMESA-N 1 0 412.578 2.791 40 0 HFABRO CCN1CC2(CC[NH+](Cc3c(C)noc3C)CC2)COc2ccccc2S1(=O)=O ZINC000096145130 559097116 /nfs/dbraw/zinc/09/71/16/559097116.db2.gz HRJRKKIOEKOYQP-UHFFFAOYSA-N 1 0 419.547 2.977 40 0 HFABRO O=C(Nc1ccccc1)N1CCC2(C[N@H+](Cc3cccnc3)C[C@]23CCNC3=O)CC1 ZINC000096262537 559106518 /nfs/dbraw/zinc/10/65/18/559106518.db2.gz KPTSGRDMBUSPHX-DEOSSOPVSA-N 1 0 419.529 2.718 40 0 HFABRO COc1cccc(C(=O)N2CC[C@H]3[N@H+](C)CC[C@@]3(C(=O)Nc3cccnc3)CC2)c1 ZINC000096263611 559107212 /nfs/dbraw/zinc/10/72/12/559107212.db2.gz PEZIFAQHDWOXDQ-NFBKMPQASA-N 1 0 408.502 2.655 40 0 HFABRO C[NH+](C)C1CCN(C(=O)c2nc(-c3cn(-c4ccccn4)cn3)n3ccccc23)CC1 ZINC000096266888 559107843 /nfs/dbraw/zinc/10/78/43/559107843.db2.gz CLGMGOWLKHPTIJ-UHFFFAOYSA-N 1 0 415.501 2.748 40 0 HFABRO CC(C)N1CC[N@H+](CC2CC2)C[C@@H]1c1nnc2ccc(C(=O)N3CCCCC3)cn21 ZINC000096268082 559108457 /nfs/dbraw/zinc/10/84/57/559108457.db2.gz SKXCDDFAHUBRQR-HXUWFJFHSA-N 1 0 410.566 2.833 40 0 HFABRO O=C(N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[NH+]1CCCC1)c1cccc(F)c1 ZINC000585262302 559110708 /nfs/dbraw/zinc/11/07/08/559110708.db2.gz NHMHGXXNEWDOOZ-CGXNFDGLSA-N 1 0 402.441 2.740 40 0 HFABRO Cc1ccc(C[NH+]2CCC3(CN(c4ncccn4)C[C@]34CCN(C)C4=O)CC2)s1 ZINC000097952862 559124917 /nfs/dbraw/zinc/12/49/17/559124917.db2.gz UWGRILVZRHWDLI-QFIPXVFZSA-N 1 0 411.575 2.797 40 0 HFABRO C[C@@H]1CCCCN1C(=O)CSc1nnc(-c2ccncc2)n1CCC[NH+](C)C ZINC000004130370 560599530 /nfs/dbraw/zinc/59/95/30/560599530.db2.gz HJTUKEBCLCVCGI-MRXNPFEDSA-N 1 0 402.568 2.785 40 0 HFABRO Cc1ccc2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=S)NCCC[NH+](C)C)cc2c1 ZINC000004131576 560599733 /nfs/dbraw/zinc/59/97/33/560599733.db2.gz NXHXBEGNSFFRHY-IBGZPJMESA-N 1 0 416.591 2.644 40 0 HFABRO CCc1ccc2[nH]c(=O)c(CN(CC[NH+](C)C)C(=S)NC[C@H]3CCCO3)cc2c1 ZINC000004133439 560600515 /nfs/dbraw/zinc/60/05/15/560600515.db2.gz GZCVIARPURTWHW-LJQANCHMSA-N 1 0 416.591 2.508 40 0 HFABRO CC[NH+](CC)CCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=S)NCCCOC ZINC000004133660 560600743 /nfs/dbraw/zinc/60/07/43/560600743.db2.gz MCXQRJQALGYYEP-UHFFFAOYSA-N 1 0 418.607 2.891 40 0 HFABRO CCCCNC(=S)N(CCC[NH+](C)C)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000004160490 560601433 /nfs/dbraw/zinc/60/14/33/560601433.db2.gz PJVAUVZDZNJCFM-UHFFFAOYSA-N 1 0 418.563 2.685 40 0 HFABRO COc1ccccc1/C=[N+]1\NC(=O)[C@H](NC(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000409068197 560672582 /nfs/dbraw/zinc/67/25/82/560672582.db2.gz KPSFBYCQLXKVAY-PJIZFRNJSA-O 1 0 400.458 2.711 40 0 HFABRO COc1cc(C[NH2+]C[C@H]2CCCO2)ccc1OCc1nnnn1-c1ccc(C)cc1 ZINC000007540356 560751636 /nfs/dbraw/zinc/75/16/36/560751636.db2.gz RUJYYKZSPQFSMQ-LJQANCHMSA-N 1 0 409.490 2.827 40 0 HFABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+](C)C)c2cc(C)ccc2C)cc1 ZINC000010111367 560763781 /nfs/dbraw/zinc/76/37/81/560763781.db2.gz ABTNXFOCGCENGC-UHFFFAOYSA-N 1 0 417.575 2.875 40 0 HFABRO O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)NCCC[NH+]1CCCC1 ZINC000010450039 560769797 /nfs/dbraw/zinc/76/97/97/560769797.db2.gz KEYXKVKRYHWZKW-UHFFFAOYSA-N 1 0 419.522 2.623 40 0 HFABRO Cc1ccc(N([C@H](C)C(=O)NCCC[NH+]2CCC(C)CC2)S(C)(=O)=O)cc1C ZINC000010540799 560769857 /nfs/dbraw/zinc/76/98/57/560769857.db2.gz WBTBKVFGGHRODQ-LJQANCHMSA-N 1 0 409.596 2.696 40 0 HFABRO C[C@H](C(=O)NCCC[NH+]1CCC(C)CC1)N1c2cccc3cccc(c23)S1(=O)=O ZINC000010540848 560769877 /nfs/dbraw/zinc/76/98/77/560769877.db2.gz BFFOCPODVJSJGW-QGZVFWFLSA-N 1 0 415.559 2.975 40 0 HFABRO CC(C)c1ccc(N(CC(=O)NCCC[NH+]2CCCCCC2)S(C)(=O)=O)cc1 ZINC000010111163 560779669 /nfs/dbraw/zinc/77/96/69/560779669.db2.gz VMEVJXJFFNZNOL-UHFFFAOYSA-N 1 0 409.596 2.958 40 0 HFABRO CC[NH+]1CCN([C@H](c2nnnn2C(C)(C)C)c2cc3cc(C)cc(C)c3[nH]c2=O)CC1 ZINC000019527926 560874539 /nfs/dbraw/zinc/87/45/39/560874539.db2.gz ZOEFFWHAQZVNLU-FQEVSTJZSA-N 1 0 423.565 2.613 40 0 HFABRO CC[NH+]1CCN([C@H](c2nnnn2C2CCCC2)c2cc3cc(C)ccc3[nH]c2=O)CC1 ZINC000019527932 560874652 /nfs/dbraw/zinc/87/46/52/560874652.db2.gz UWVHRMUCWCGYDP-NRFANRHFSA-N 1 0 421.549 2.665 40 0 HFABRO O[C@H](COCc1ccc2c(c1)OCO2)C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000022030589 560890831 /nfs/dbraw/zinc/89/08/31/560890831.db2.gz CHCRSNLJTSQFRK-FQEVSTJZSA-N 1 0 418.921 2.764 40 0 HFABRO CCOc1cc(C[NH2+]CCc2ccc(OC)c(OC)c2)cc(Cl)c1OCC(N)=O ZINC000022074329 568473791 /nfs/dbraw/zinc/47/37/91/568473791.db2.gz JMDJHSVLRHQTJQ-UHFFFAOYSA-N 1 0 422.909 2.952 40 0 HFABRO OC[C@H]1[C@H](O)C[C@@H]([NH2+]Cc2ccccc2F)[C@@H]1Cc1ccnc(-c2ccccc2)n1 ZINC000604382723 568489518 /nfs/dbraw/zinc/48/95/18/568489518.db2.gz ZUQFKGCHQUNNTM-OHUMZHCVSA-N 1 0 407.489 2.973 40 0 biogenic,in-vitro HFABRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)CN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)cc2)C1 ZINC000057991620 568498433 /nfs/dbraw/zinc/49/84/33/568498433.db2.gz RZSUYMHIEKLHFS-YHDSQAASSA-N 1 0 423.557 2.732 40 0 HFABRO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1CCC[NH+]1CCOCC1 ZINC000222733659 568525021 /nfs/dbraw/zinc/52/50/21/568525021.db2.gz UEUOPSCTQTVPMR-RTWAWAEBSA-N 1 0 413.591 2.825 40 0 HFABRO C[C@@H]1CCC[N@H+](CCCNC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)C1 ZINC000223156345 568539656 /nfs/dbraw/zinc/53/96/56/568539656.db2.gz PUVBZIGICVOUKE-QGZVFWFLSA-N 1 0 413.559 2.610 40 0 HFABRO COCCn1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c1C ZINC000223264719 568543322 /nfs/dbraw/zinc/54/33/22/568543322.db2.gz VFJXLLNQENDAOC-UXHICEINSA-N 1 0 401.580 2.680 40 0 HFABRO Cc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1N(C)S(=O)(=O)c1ccccc1 ZINC000224202253 568573610 /nfs/dbraw/zinc/57/36/10/568573610.db2.gz PMXHPBOOCUAIFT-UHFFFAOYSA-N 1 0 401.532 2.644 40 0 HFABRO Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NC3CC[NH+](C)CC3)cc2C)cc1 ZINC000224213271 568573926 /nfs/dbraw/zinc/57/39/26/568573926.db2.gz UXSGVTAMAMGVPN-UHFFFAOYSA-N 1 0 415.559 2.953 40 0 HFABRO COC(=O)c1cc(S(=O)(=O)NCc2ccc(C[NH+]3CCCC3)cc2)ccc1C ZINC000224516060 568583426 /nfs/dbraw/zinc/58/34/26/568583426.db2.gz OLJVQEOQTJXJBP-UHFFFAOYSA-N 1 0 402.516 2.856 40 0 HFABRO C[C@@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)N(c1ccccc1)S(C)(=O)=O ZINC000224600848 568587308 /nfs/dbraw/zinc/58/73/08/568587308.db2.gz FEHBPQDNWNEALV-SFHVURJKSA-N 1 0 415.559 2.753 40 0 HFABRO C[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)N(c1ccccc1)S(C)(=O)=O ZINC000224766867 568595851 /nfs/dbraw/zinc/59/58/51/568595851.db2.gz FXAYFJPVQZCWER-SFHVURJKSA-N 1 0 415.559 2.753 40 0 HFABRO Cc1cc(C(=O)NCc2ccccc2C[NH+]2CCCC2)ccc1N(C)S(C)(=O)=O ZINC000224799059 568597176 /nfs/dbraw/zinc/59/71/76/568597176.db2.gz APUNEWJSVRFICZ-UHFFFAOYSA-N 1 0 415.559 2.917 40 0 HFABRO Cn1c2ccc(S(=O)(=O)NCc3ccccc3C[NH+]3CCCC3)cc2sc1=O ZINC000224805183 568597631 /nfs/dbraw/zinc/59/76/31/568597631.db2.gz AXFFIEGNUPNRJK-UHFFFAOYSA-N 1 0 417.556 2.674 40 0 HFABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000225471747 568640944 /nfs/dbraw/zinc/64/09/44/568640944.db2.gz HZTSLZLXSVILLG-FQEVSTJZSA-N 1 0 421.607 2.858 40 0 HFABRO C[NH+](C)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C[C@H]1CCCO1 ZINC000260921025 568744327 /nfs/dbraw/zinc/74/43/27/568744327.db2.gz ODKNYGKHWPGPSE-UIFIKXQLSA-N 1 0 413.591 2.986 40 0 HFABRO CCOc1cc(C(=O)N2CCC[C@](O)(C[NH+]3CCC(F)(F)CC3)CC2)ccc1O ZINC000257207357 568778406 /nfs/dbraw/zinc/77/84/06/568778406.db2.gz BHJXCOHUEGXDHE-HXUWFJFHSA-N 1 0 412.477 2.879 40 0 HFABRO Cc1nc([C@H]2CCC[N@H+](Cc3ccccc3)C2)nc(C)c1CC(=O)N1CCOCC1 ZINC000257213877 568780117 /nfs/dbraw/zinc/78/01/17/568780117.db2.gz CJKZPKYOIVNJLY-NRFANRHFSA-N 1 0 408.546 2.874 40 0 HFABRO CCn1cc(NC(=O)C[N@@H+]2[C@H](Cc3ccccc3)C[C@]3(C)NC(=O)CCC[C@H]23)c(C)n1 ZINC000257241447 568787900 /nfs/dbraw/zinc/78/79/00/568787900.db2.gz HYBIYPIXXGOCEE-IZIIKQMZSA-N 1 0 423.561 2.894 40 0 HFABRO CC(=O)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccccc1)CN2C(=O)c1ccc(OCC[NH3+])cc1 ZINC000257273117 568796591 /nfs/dbraw/zinc/79/65/91/568796591.db2.gz NFIHWFSPTSWPMB-DNVJHFABSA-N 1 0 407.514 2.501 40 0 HFABRO CC(C)C[C@@H]1[C@H](Nc2ccccc2)CCCN1C(=O)C[NH+]1CCC(C(N)=O)CC1 ZINC000257319819 568810255 /nfs/dbraw/zinc/81/02/55/568810255.db2.gz VUEVPOZOARBLHQ-NHCUHLMSSA-N 1 0 400.567 2.702 40 0 HFABRO Cc1ccc(C[C@H]2CC[C@@H]3C[N@H+](CC(=O)Nc4ccc5[nH]c(=O)[nH]c5c4)C[C@H]23)nc1 ZINC000257341240 568816454 /nfs/dbraw/zinc/81/64/54/568816454.db2.gz ZJMICIRRARDEBH-GPMSIDNRSA-N 1 0 405.502 2.699 40 0 HFABRO CC(C)n1cc(C[N@H+]2C[C@@H]3Cc4nnc(C(=O)Nc5ccccc5)n4C[C@@H]3C2)cn1 ZINC000306131593 568893893 /nfs/dbraw/zinc/89/38/93/568893893.db2.gz KJJYIUYJPPTEJW-ROUUACIJSA-N 1 0 405.506 2.612 40 0 HFABRO COc1cccc(C[N@@H+]2C[C@@H]3Cn4c(nnc4C(=O)Nc4cccc(F)c4)C[C@@H]3C2)c1 ZINC000306135160 568897026 /nfs/dbraw/zinc/89/70/26/568897026.db2.gz OJOVYBFMMGGODG-IAGOWNOFSA-N 1 0 421.476 2.982 40 0 HFABRO Cc1cccc(C[N@@H+]2C[C@@H]3Cn4c(nnc4C(=O)Nc4cccc(F)c4)C[C@@H]3C2)n1 ZINC000306136809 568898644 /nfs/dbraw/zinc/89/86/44/568898644.db2.gz QDYQFGBNTAUZCX-HZPDHXFCSA-N 1 0 406.465 2.677 40 0 HFABRO COc1ccccc1C[N@H+]1C[C@@H]2Cc3nnc(C(=O)Nc4cccc(F)c4)n3C[C@@H]2C1 ZINC000306142825 568904431 /nfs/dbraw/zinc/90/44/31/568904431.db2.gz XLDHINRYTJVFGK-IRXDYDNUSA-N 1 0 421.476 2.982 40 0 HFABRO O=S(=O)(c1cccc(F)c1)N1CCO[C@]2(CCCC[C@H]2[NH2+]Cc2cccnc2)C1 ZINC000306143478 568904863 /nfs/dbraw/zinc/90/48/63/568904863.db2.gz YDCVOTFNQCKWLQ-NHCUHLMSSA-N 1 0 419.522 2.713 40 0 HFABRO CCOC[C@@]1(C[NH3+])[C@@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218169941 568926937 /nfs/dbraw/zinc/92/69/37/568926937.db2.gz OUSLNOBMRLNRBX-ACRUOGEOSA-N 1 0 403.500 2.645 40 0 HFABRO CCOC[C@@]1(C[NH3+])[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc2c(c1)OCO2 ZINC000242701666 568970164 /nfs/dbraw/zinc/97/01/64/568970164.db2.gz WITKHYUWSAJNMU-VAMGGRTRSA-N 1 0 423.918 2.990 40 0 HFABRO C[NH+](C)CCNc1nc(Nc2cccc(OC(F)(F)F)c2)cc(-c2cccnc2)n1 ZINC000329056142 568974935 /nfs/dbraw/zinc/97/49/35/568974935.db2.gz VRQDHOSUUHOWQH-UHFFFAOYSA-N 1 0 418.423 2.998 40 0 HFABRO COc1ncc([C@]2(O)CCC[C@H]3C[N@H+](Cc4ccc(F)cc4F)C[C@H]32)c(OC)n1 ZINC000247887586 569315703 /nfs/dbraw/zinc/31/57/03/569315703.db2.gz SFHFTUGTFJFNDS-KPFBPEDLSA-N 1 0 405.445 2.892 40 0 HFABRO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)Nc2ccc([C@H]3NC(=O)c4cccnc4N3C)cc2)C1 ZINC000248070362 569316102 /nfs/dbraw/zinc/31/61/02/569316102.db2.gz XIGBGXULJODBCZ-ZOCZFRKYSA-N 1 0 407.518 2.876 40 0 HFABRO COc1ccc(C(=O)NC(=S)Nc2ccccc2N2CC[NH+](C)CC2)cc1OC ZINC000006624698 569333973 /nfs/dbraw/zinc/33/39/73/569333973.db2.gz WBUYOQWZOSUFQY-UHFFFAOYSA-N 1 0 414.531 2.582 40 0 HFABRO C[C@@]12CC[C@@H](C[C@@H]1C(=O)N1CC[N@@H+]3CCC[C@@H]3C1)[C@]1(C2)Nc2ccccc2C(=O)N1 ZINC000012142439 569344682 /nfs/dbraw/zinc/34/46/82/569344682.db2.gz FAOJJDMFNZOAEQ-FGOODKDYSA-N 1 0 408.546 2.671 40 0 HFABRO COc1ccccc1C[N@@H+]1CCC[C@@H](c2nn(CCNC(C)=O)c3ncccc23)C1 ZINC000012219528 569344747 /nfs/dbraw/zinc/34/47/47/569344747.db2.gz NCCCWHSQAMPDHF-LJQANCHMSA-N 1 0 407.518 2.956 40 0 HFABRO COc1ccc(C)cc1C[N@@H+]1C[C@@H](C(=O)N(C)C)[C@]2(C1)CCc1ccccc1C(=O)N2 ZINC000019133182 569345337 /nfs/dbraw/zinc/34/53/37/569345337.db2.gz RNBMAWZXLBZPRO-SQJMNOBHSA-N 1 0 421.541 2.639 40 0 HFABRO CCOc1ccc(CC(=O)N2CCC[C@H](c3nc(C[NH2+]C)cc(N(C)C)n3)C2)cc1 ZINC000019709562 569348102 /nfs/dbraw/zinc/34/81/02/569348102.db2.gz FIDMZFGDEGKQES-SFHVURJKSA-N 1 0 411.550 2.609 40 0 HFABRO CN(C)c1cc(CN(C)C(=O)Cc2c[nH]c3ccccc23)nc([C@H]2CCC[NH2+]C2)n1 ZINC000019709720 569348130 /nfs/dbraw/zinc/34/81/30/569348130.db2.gz QDAMKDCXSKBHST-INIZCTEOSA-N 1 0 406.534 2.692 40 0 HFABRO C[NH+](C)CCNc1nc(-c2cccnc2)cc(=NNc2c(F)c(F)cc(F)c2F)[nH]1 ZINC000329070892 571304691 /nfs/dbraw/zinc/30/46/91/571304691.db2.gz ZKQIQPZFNVAQFZ-UHFFFAOYSA-N 1 0 421.402 3.508 40 0 HFABRO CC(=O)N1CCN(c2cc(-c3noc([C@@H]4CCC[N@@H+]4CC(C)(C)C)n3)ccn2)CC1 ZINC000049154988 291215249 /nfs/dbraw/zinc/21/52/49/291215249.db2.gz WIPGCAPKRMXRNV-SFHVURJKSA-N 1 0 412.538 2.983 40 0 biogenic,in-vitro HFABRO Cc1nc(-c2ccccc2)cc([C@H]2C[N@@H+]3CC[C@H]2C[C@@H]3CNC(=O)N2CCOCC2)n1 ZINC000015672526 291227181 /nfs/dbraw/zinc/22/71/81/291227181.db2.gz PKZFIWUOWOLCGC-HBMCJLEFSA-N 1 0 421.545 2.672 40 0 biogenic,in-vitro HFABRO O[C@@H]1C[C@@](C[NH2+]Cc2ccc(F)cc2)(COc2ccc(C(F)(F)F)cn2)C[C@@H]1O ZINC000107430392 291230277 /nfs/dbraw/zinc/23/02/77/291230277.db2.gz IRGHMZMEILSAQW-IZZQQSIFSA-N 1 0 414.399 2.910 40 0 biogenic,in-vitro HFABRO CS(=O)(=O)N1CCCc2cc([C@H](O)C[NH+]3CCC(C(F)(F)F)CC3)ccc21 ZINC000012291498 132358012 /nfs/dbraw/zinc/35/80/12/132358012.db2.gz MVPFATLUHKOQGH-QGZVFWFLSA-N 1 0 406.470 2.707 40 0 HFABRO Cc1cc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)ccc1NS(C)(=O)=O ZINC000044872069 524103233 /nfs/dbraw/zinc/10/32/33/524103233.db2.gz CWJSUXCXTLQPED-UHFFFAOYSA-N 1 0 401.532 2.892 40 0 HFABRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)C1 ZINC000044883599 524883994 /nfs/dbraw/zinc/88/39/94/524883994.db2.gz QHAQWQYEKISTIZ-KBPBESRZSA-N 1 0 401.960 2.809 40 0 HFABRO O=C(Cn1nnc(-c2ccc(C[NH+]3CCCCC3)cc2)n1)NCc1ccc(F)cc1 ZINC000035290069 557674211 /nfs/dbraw/zinc/67/42/11/557674211.db2.gz UZBBYUDECRMYKF-UHFFFAOYSA-N 1 0 408.481 2.782 40 0 HFABRO CNc1ncccc1C[NH+]1CCC(Cc2nc(C)ncc2C(=O)N2CCCC2)CC1 ZINC000019757218 558274800 /nfs/dbraw/zinc/27/48/00/558274800.db2.gz XJDNFXFZPXHDIU-UHFFFAOYSA-N 1 0 408.550 2.912 40 0 HFABRO Cc1cc(S(=O)(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)ccc1N1CCCC1=O ZINC000019931383 558310295 /nfs/dbraw/zinc/31/02/95/558310295.db2.gz VZWZRFNDKCLOAM-IRXDYDNUSA-N 1 0 407.580 2.768 40 0 HFABRO Cc1ccc(=O)n(CC2(O)C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cn(C)c3ccc(F)cc23)n1 ZINC000012134002 558333438 /nfs/dbraw/zinc/33/34/38/558333438.db2.gz HQFHEAPOPVJEEF-LIMIJEPZSA-N 1 0 410.493 2.741 40 0 HFABRO CC1(C)CCC[N@H+](CC(=O)N2CCC[C@@H](c3cc(=O)n4c(n3)CCCCC4)C2)C1 ZINC000012220942 558355700 /nfs/dbraw/zinc/35/57/00/558355700.db2.gz DZWWXDURLGAAIT-GOSISDBHSA-N 1 0 400.567 2.798 40 0 HFABRO COc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(O)ccc2O3)cc1OC ZINC000012329690 558384516 /nfs/dbraw/zinc/38/45/16/558384516.db2.gz AUFMEMBJPLRYFX-OALUTQOASA-N 1 0 415.486 2.794 40 0 HFABRO COc1ccc(-c2nc3ncc4c(ccn(CC[NH+]5CCCCC5)c4=O)n3n2)cc1 ZINC000020676938 558400282 /nfs/dbraw/zinc/40/02/82/558400282.db2.gz BFGURACOIZRTIH-UHFFFAOYSA-N 1 0 404.474 2.601 40 0 HFABRO Cc1cc(C)cc(N([C@H](C)C(=O)NCCC[NH+]2CCC(C)CC2)S(C)(=O)=O)c1 ZINC000013613867 558549467 /nfs/dbraw/zinc/54/94/67/558549467.db2.gz GOUFXCOHOYUTLR-LJQANCHMSA-N 1 0 409.596 2.696 40 0 HFABRO Cc1cccc(N(CC(=O)NCCC[NH+]2CCCC2)S(=O)(=O)c2ccccc2)c1 ZINC000013672972 558563270 /nfs/dbraw/zinc/56/32/70/558563270.db2.gz WERQVJITFGTOEJ-UHFFFAOYSA-N 1 0 415.559 2.792 40 0 HFABRO Cc1ccc(Cl)cc1N([C@H](C)C(=O)NCC[NH+]1CCCCCC1)S(C)(=O)=O ZINC000013680330 558566167 /nfs/dbraw/zinc/56/61/67/558566167.db2.gz CECALQSAXQXCLD-MRXNPFEDSA-N 1 0 415.987 2.795 40 0 HFABRO Cc1cccc(C[N@H+]2C[C@H](C(=O)NC(C)C)[C@@H](c3ccnc(N4CCCCC4)n3)C2)n1 ZINC000019236327 558855436 /nfs/dbraw/zinc/85/54/36/558855436.db2.gz ARHSPJOTZAIGJC-SFTDATJTSA-N 1 0 422.577 2.911 40 0 HFABRO Cc1ccccc1OCCN1CC[NH+](Cc2cn(CC(N)=O)c3ccccc23)CC1 ZINC000019237415 558856636 /nfs/dbraw/zinc/85/66/36/558856636.db2.gz QFXOIKMFJZNQHS-UHFFFAOYSA-N 1 0 406.530 2.632 40 0 HFABRO COc1ccc([C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H](C)C3)C[C@H]2c2cc(=O)[nH]c(C)n2)cc1 ZINC000019285473 558859912 /nfs/dbraw/zinc/85/99/12/558859912.db2.gz COQDUNVHZGWNMK-TYCQWZJGSA-N 1 0 424.545 2.528 40 0 HFABRO Cn1cc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)C[N@@H+](C2CCCCC2)CC3)cn1 ZINC000019290561 558863048 /nfs/dbraw/zinc/86/30/48/558863048.db2.gz ZOOHBVNFLLHWQB-FQEVSTJZSA-N 1 0 424.549 2.562 40 0 HFABRO O=C(c1ccccc1F)N1CCc2c(=O)[nH]c([C@@H]3CC[N@@H+](C4CCCC4)C3)nc2C1 ZINC000019347673 558873946 /nfs/dbraw/zinc/87/39/46/558873946.db2.gz SCFVWUUVWUIXLP-OAHLLOKOSA-N 1 0 410.493 2.839 40 0 HFABRO O=C(C1CCC1)N1CCc2c(=O)[nH]c([C@H]3CC[N@@H+](Cc4ccccc4F)C3)nc2C1 ZINC000019348844 558874635 /nfs/dbraw/zinc/87/46/35/558874635.db2.gz JSJGFEOIVPEKRP-KRWDZBQOSA-N 1 0 410.493 2.583 40 0 HFABRO O=C(C1CC1)N1CCc2nc([C@H]3CCC[N@@H+](Cc4ccccc4F)C3)[nH]c(=O)c2C1 ZINC000019349031 558874858 /nfs/dbraw/zinc/87/48/58/558874858.db2.gz ZDEJWVJQSICMKQ-KRWDZBQOSA-N 1 0 410.493 2.583 40 0 HFABRO O=C(NCCn1ccnc1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019372573 558879909 /nfs/dbraw/zinc/87/99/09/558879909.db2.gz NKUAHDWVRCRPQW-FGZHOGPDSA-N 1 0 420.488 2.770 40 0 HFABRO O=C(CCn1cccn1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](C1CCCC1)C2 ZINC000019406118 558885036 /nfs/dbraw/zinc/88/50/36/558885036.db2.gz IPLGQSSSQVAVMV-HXUWFJFHSA-N 1 0 424.549 2.823 40 0 HFABRO CC(C)[N@H+]1CCc2nc3cc(C(=O)NCCc4cccc(F)c4)ccc3c(=O)n2CC1 ZINC000019448623 558887398 /nfs/dbraw/zinc/88/73/98/558887398.db2.gz OCFQBNNLOQIYDD-UHFFFAOYSA-N 1 0 422.504 2.775 40 0 HFABRO CC1CCC([N@@H+]2CCc3nc([C@@H]4CCCN(C(=O)c5cc[nH]n5)C4)[nH]c(=O)c3C2)CC1 ZINC000019495963 558894851 /nfs/dbraw/zinc/89/48/51/558894851.db2.gz XVQOCILAZGJELC-AQFXKWCLSA-N 1 0 424.549 2.862 40 0 HFABRO CCn1cc(C[NH+]2CCC(O)(Cn3nc(C)ccc3=O)CC2)c2cc(OC)ccc21 ZINC000019524747 558906026 /nfs/dbraw/zinc/90/60/26/558906026.db2.gz OCUDFVNTCZVCHA-UHFFFAOYSA-N 1 0 410.518 2.562 40 0 HFABRO COc1nn(CC(=O)N2CCCC[C@@H]2C[NH+]2CCCCCC2)c(=O)c2ccccc21 ZINC000019594891 558945527 /nfs/dbraw/zinc/94/55/27/558945527.db2.gz FBQKIUFVCDBGIW-GOSISDBHSA-N 1 0 412.534 2.662 40 0 HFABRO CC(=O)NC1(c2ccccc2)CC[NH+](Cc2sc(N3CCOCC3)nc2C)CC1 ZINC000019658704 558950669 /nfs/dbraw/zinc/95/06/69/558950669.db2.gz GIWZCDLFBKWWHR-UHFFFAOYSA-N 1 0 414.575 2.916 40 0 HFABRO CNC(=O)c1ccc(-c2cc(C)nc([C@@H]3CCC[N@H+](Cc4ccnn4C)C3)c2)cn1 ZINC000072353681 558950694 /nfs/dbraw/zinc/95/06/94/558950694.db2.gz RRMZISNKYCCGGO-GOSISDBHSA-N 1 0 404.518 2.925 40 0 HFABRO COCCN1C[C@H](c2cc(N(C)C)nc(C3CC[NH+](C4CCCC4)CC3)n2)CC1=O ZINC000019697502 558965084 /nfs/dbraw/zinc/96/50/84/558965084.db2.gz ROKRLTNHNPUNIA-GOSISDBHSA-N 1 0 415.582 2.627 40 0 HFABRO COc1ccc(C[N@@H+]2CCC[C@H](c3nnc(-c4cnccn4)o3)C2)c(OC)c1OC ZINC000072390059 558970390 /nfs/dbraw/zinc/97/03/90/558970390.db2.gz PJWRTVIFCVQOEU-HNNXBMFYSA-N 1 0 411.462 2.932 40 0 HFABRO CNc1nc([C@@H]2CCC[N@H+](C)C2)nc2c1CN(C(=O)COc1c(C)cccc1C)CC2 ZINC000019710558 558972629 /nfs/dbraw/zinc/97/26/29/558972629.db2.gz FPPWXLODSXQIOK-GOSISDBHSA-N 1 0 423.561 2.908 40 0 HFABRO COc1ncc([C@@]2(O)CC[C@@H]3C[N@H+](Cc4ccc5c(c4)C[C@@H](C)O5)C[C@@H]32)c(OC)n1 ZINC000072395408 558974288 /nfs/dbraw/zinc/97/42/88/558974288.db2.gz YKQDIJZVIHRGJV-GTXMHPBVSA-N 1 0 411.502 2.547 40 0 HFABRO C[C@@H]1CCCC[N@@H+]1Cc1cccc(NC(=O)CCn2cnc3c(cnn3C)c2=O)c1 ZINC000019716248 558977893 /nfs/dbraw/zinc/97/78/93/558977893.db2.gz QBIJCTVNQBTOJG-MRXNPFEDSA-N 1 0 408.506 2.533 40 0 HFABRO CN(C)C(=O)C[N@@H+]1CCC[C@]12CCCN(C(=O)COc1cccc(Cl)c1)CC2 ZINC000585100572 559024147 /nfs/dbraw/zinc/02/41/47/559024147.db2.gz OERSKNRYIZRREY-NRFANRHFSA-N 1 0 407.942 2.654 40 0 HFABRO C[N@@H+](Cc1cccnc1)C[C@@H]1CC2(CO1)CCN(C(=O)CCc1cccnc1)CC2 ZINC000585103612 559025636 /nfs/dbraw/zinc/02/56/36/559025636.db2.gz HOMSOGJAMJMCIT-QFIPXVFZSA-N 1 0 408.546 2.939 40 0 HFABRO CCC[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2cc3cccc(OC)c3o2)CC1 ZINC000585106086 559028463 /nfs/dbraw/zinc/02/84/63/559028463.db2.gz KPXHJYZSVFGDBG-SJORKVTESA-N 1 0 411.502 2.504 40 0 HFABRO Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)[C@@H]2C[N@@H+](CCC(C)C)C[C@@H]23)cc1F ZINC000585106226 559028542 /nfs/dbraw/zinc/02/85/42/559028542.db2.gz XTSHPWLTUHEBKR-MOPGFXCFSA-N 1 0 401.526 2.833 40 0 HFABRO CCN1CC[C@]2(CN(C(=O)N(C)C)CC23CC[NH+](Cc2ccc(C)s2)CC3)C1=O ZINC000096036576 559090424 /nfs/dbraw/zinc/09/04/24/559090424.db2.gz ZSLSWZFHEXRQJR-QFIPXVFZSA-N 1 0 418.607 2.875 40 0 HFABRO CCOC(=O)[C@@]12C[N@H+](Cc3cccc(C)n3)C[C@@H]1CN(C(=O)c1cccn1C)CCC2 ZINC000096056088 559093914 /nfs/dbraw/zinc/09/39/14/559093914.db2.gz LSRIDRQVGBIGDL-DVECYGJZSA-N 1 0 424.545 2.646 40 0 HFABRO CCOC(=O)[C@@]12C[N@H+](Cc3cccc(C)n3)C[C@@H]1CN(C(=O)c1ccncc1)CCC2 ZINC000096056089 559094041 /nfs/dbraw/zinc/09/40/41/559094041.db2.gz HKWKLPBGICAXAX-YKSBVNFPSA-N 1 0 422.529 2.703 40 0 HFABRO Cc1nc(-c2cc(C(=O)NCC[NH+](C)C)c3ccccn23)cn1Cc1cccnc1 ZINC000096154953 559099275 /nfs/dbraw/zinc/09/92/75/559099275.db2.gz FIFACROMICMRII-UHFFFAOYSA-N 1 0 402.502 2.846 40 0 HFABRO Cn1cc(-c2ccc3ccc(-n4ccc(C(=O)N5CCC([NH+](C)C)CC5)n4)n3c2)cn1 ZINC000096155385 559099541 /nfs/dbraw/zinc/09/95/41/559099541.db2.gz HFQKDKDSXDSCKY-UHFFFAOYSA-N 1 0 417.517 2.692 40 0 HFABRO O=C(c1ncn2c1nccc2C1CC[NH+](Cc2ccccc2)CC1)N1CCOCC1 ZINC000096155687 559099861 /nfs/dbraw/zinc/09/98/61/559099861.db2.gz RDYNFBUKYJZFBD-UHFFFAOYSA-N 1 0 405.502 2.581 40 0 HFABRO COCCN(C)C(=O)c1ncn2c1nccc2C1CC[NH+](Cc2ccccc2)CC1 ZINC000096155685 559099892 /nfs/dbraw/zinc/09/98/92/559099892.db2.gz BPQDXSXJSICYEV-UHFFFAOYSA-N 1 0 407.518 2.827 40 0 HFABRO COCC[NH+]1CCN(c2ccc3ccc(C(=O)NCc4cccc(F)c4)cn32)CC1 ZINC000096155902 559099980 /nfs/dbraw/zinc/09/99/80/559099980.db2.gz AQVURFPONOLZFR-UHFFFAOYSA-N 1 0 410.493 2.777 40 0 HFABRO CC(C)N1CC[N@H+](CC2CC2)C[C@@H]1c1nnc2ccc(C(=O)NC3CCCC3)cn21 ZINC000096156792 559100693 /nfs/dbraw/zinc/10/06/93/559100693.db2.gz DMGQJHMGVSLINT-HXUWFJFHSA-N 1 0 410.566 2.879 40 0 HFABRO O=C(c1ccc(-n2cccc2)cc1)N1CCC[C@]2(C[C@H](C[NH+]3CCOCC3)CO2)C1 ZINC000096228408 559102756 /nfs/dbraw/zinc/10/27/56/559102756.db2.gz CJLBPZUSUFAEMP-YKSBVNFPSA-N 1 0 409.530 2.821 40 0 HFABRO CN(C)c1ccc(C(=O)N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)cc1 ZINC000096239945 559103485 /nfs/dbraw/zinc/10/34/85/559103485.db2.gz HCAJONISEJIPNT-UHFFFAOYSA-N 1 0 408.546 2.902 40 0 HFABRO COCCN1[C@H]2CC[N@H+](Cc3ccccc3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC000096263918 559107321 /nfs/dbraw/zinc/10/73/21/559107321.db2.gz KOMLBAUMLRUBEK-PMACEKPBSA-N 1 0 416.543 2.749 40 0 HFABRO COc1ccccc1C(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1[NH+]1CCCCC1 ZINC000585262180 559110525 /nfs/dbraw/zinc/11/05/25/559110525.db2.gz KQDKQIACCVWUND-LGKPFJOYSA-N 1 0 410.514 2.860 40 0 HFABRO COCCOc1cc(C[N@H+](C)C[C@H](O)COc2ccc(OC)cc2)ccc1OC ZINC000585262514 559111005 /nfs/dbraw/zinc/11/10/05/559111005.db2.gz HYLUUUBMOZEBMU-SFHVURJKSA-N 1 0 405.491 2.601 40 0 HFABRO Cc1cc(C)cc(O[C@H]2C[N@H+](Cc3ccc(OCCN4CCCC4=O)cc3)C[C@@H]2O)c1 ZINC000585267794 559112976 /nfs/dbraw/zinc/11/29/76/559112976.db2.gz BQHXMVYEHPHKBA-ZEQRLZLVSA-N 1 0 424.541 2.929 40 0 HFABRO O[C@H]1C[N@H+](Cc2ccc(OCCn3cncn3)cc2)C[C@@H]1Oc1cccc(Cl)c1 ZINC000585268803 559114066 /nfs/dbraw/zinc/11/40/66/559114066.db2.gz VSSDBXCPZUCSQN-SFTDATJTSA-N 1 0 414.893 2.635 40 0 HFABRO COc1ccc(C[N@H+](C)C[C@@]2(O)CCN(Cc3ccc(OCCCO)cc3)C2)cc1 ZINC000585269641 559115802 /nfs/dbraw/zinc/11/58/02/559115802.db2.gz FOVOWTROKBMMFR-DEOSSOPVSA-N 1 0 414.546 2.525 40 0 HFABRO O=C(C[N@H+]1CCC[C@@](O)(COc2ccccc2F)CC1)NCc1cccc(F)c1 ZINC000585273492 559117405 /nfs/dbraw/zinc/11/74/05/559117405.db2.gz OODHCQRSMAFYMZ-QFIPXVFZSA-N 1 0 404.457 2.877 40 0 HFABRO O=C(c1ccc(Cl)cc1)N1CC[C@](O)(C[NH2+]CCCc2ccccc2)[C@@H](O)C1 ZINC000585286319 559121949 /nfs/dbraw/zinc/12/19/49/559121949.db2.gz YVXOOQWAZNROJT-UNMCSNQZSA-N 1 0 402.922 2.500 40 0 HFABRO CC(=O)N(C)[C@@H]1CCOC2(CC[NH+]([C@H]3CCC[C@@H](Oc4ccccc4)[C@@H]3O)CC2)C1 ZINC000585289998 559122602 /nfs/dbraw/zinc/12/26/02/559122602.db2.gz YVEHHSPLWDWGBA-CWKRKGSWSA-N 1 0 416.562 2.839 40 0 HFABRO OC[C@@H]1[C@@H](O)[C@@H](O)[C@H](Cc2ccccc2)[N@@H+]1Cc1ccc(Oc2ccccc2)cc1 ZINC000585293832 559126822 /nfs/dbraw/zinc/12/68/22/559126822.db2.gz ATLXAFZMXUTXLE-FQUZAXHOSA-N 1 0 405.494 2.989 40 0 HFABRO Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000072216532 559169597 /nfs/dbraw/zinc/16/95/97/559169597.db2.gz PQHUSTOYYHCGAD-FQEVSTJZSA-N 1 0 400.548 2.668 40 0 HFABRO Cc1ccc(N(CC(=O)NC2CC[NH+](C)CC2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000113933807 559182248 /nfs/dbraw/zinc/18/22/48/559182248.db2.gz FJXUZQLYEWYBHN-UHFFFAOYSA-N 1 0 419.522 2.540 40 0 HFABRO C[N@H+](Cc1ccc(OCc2ccccn2)cc1)C[C@@]1(O)CCN(c2ncccn2)C1 ZINC000257210099 559282549 /nfs/dbraw/zinc/28/25/49/559282549.db2.gz BTDQYYYAYJOLQG-QHCPKHFHSA-N 1 0 405.502 2.524 40 0 HFABRO O=C(NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCC(O)CC2)CC1)c1cccnc1 ZINC000257319006 559283031 /nfs/dbraw/zinc/28/30/31/559283031.db2.gz VQHIZULCOZRHHH-LSQMVHIFSA-N 1 0 423.557 2.510 40 0 HFABRO Cc1nc(COC[C@H]2CC[N@@H+](C)C3(CN(C(=O)c4cccc(O)c4)C3)C2)cs1 ZINC000575403119 560546880 /nfs/dbraw/zinc/54/68/80/560546880.db2.gz IWNDKTVUSYTOKE-INIZCTEOSA-N 1 0 401.532 2.910 40 0 HFABRO CCNC(=S)N(CC[NH+]1CCCC1)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000000928155 560557055 /nfs/dbraw/zinc/55/70/55/560557055.db2.gz NEZCGOHYKDQZDY-UHFFFAOYSA-N 1 0 402.564 2.719 40 0 HFABRO CC(C)CNC(=S)N(CCC[NH+](C)C)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000004160488 560601459 /nfs/dbraw/zinc/60/14/59/560601459.db2.gz QIADNBSRGMSOFV-UHFFFAOYSA-N 1 0 418.563 2.541 40 0 HFABRO COc1cccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2)c1 ZINC000409061819 560671759 /nfs/dbraw/zinc/67/17/59/560671759.db2.gz IPUCBDUTCOMXAY-WXUIRWOTSA-O 1 0 418.448 2.850 40 0 HFABRO CN(C)c1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccccc3)[C@@H]2c2ccccc2)cc1 ZINC000409072818 560673466 /nfs/dbraw/zinc/67/34/66/560673466.db2.gz SPXVQSHEQFSEPH-PKTZIBPZSA-O 1 0 413.501 2.769 40 0 HFABRO COc1ccc(C[NH2+]Cc2cc(Br)c(OCC(N)=O)c(OC)c2)cc1 ZINC000007538416 560751455 /nfs/dbraw/zinc/75/14/55/560751455.db2.gz LAQINEKMCKCRBT-UHFFFAOYSA-N 1 0 409.280 2.620 40 0 HFABRO CCN(c1ccc(C(=O)NCC[NH+](C)C)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000010111681 560763825 /nfs/dbraw/zinc/76/38/25/560763825.db2.gz UOUNHNQPYLKTMG-UHFFFAOYSA-N 1 0 421.588 2.915 40 0 HFABRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)C1 ZINC000260565517 560795686 /nfs/dbraw/zinc/79/56/86/560795686.db2.gz PARBDQBPCPFJCR-ROUUACIJSA-N 1 0 407.580 2.714 40 0 HFABRO COC(=O)c1ccc(-c2ccc(C[NH2+]CCc3ccc(S(N)(=O)=O)cc3)o2)cc1 ZINC000022076825 568473673 /nfs/dbraw/zinc/47/36/73/568473673.db2.gz JALKPIWMVNTGSJ-UHFFFAOYSA-N 1 0 414.483 2.713 40 0 HFABRO CN([C@@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1)S(C)(=O)=O ZINC000224518221 568583424 /nfs/dbraw/zinc/58/34/24/568583424.db2.gz HFRTWRHXICKGSM-OAQYLSRUSA-N 1 0 415.559 2.531 40 0 HFABRO CN(c1cccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)c1)S(C)(=O)=O ZINC000224798859 568597135 /nfs/dbraw/zinc/59/71/35/568597135.db2.gz GDLBLJAYCVCSQY-UHFFFAOYSA-N 1 0 401.532 2.608 40 0 HFABRO O=C(CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224832027 568599011 /nfs/dbraw/zinc/59/90/11/568599011.db2.gz RFDRQHSRRUVSDN-OYRHEFFESA-N 1 0 409.530 2.630 40 0 HFABRO COC(=O)CSc1nnc(NC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)s1 ZINC000224982344 568607289 /nfs/dbraw/zinc/60/72/89/568607289.db2.gz YHRFPWNCCYJCNX-UHFFFAOYSA-N 1 0 420.560 2.962 40 0 HFABRO COc1ccc(C2OCC(C)(C(=O)Nc3ccc(OCC[NH+](C)C)nc3)CO2)cc1 ZINC000225916976 568685968 /nfs/dbraw/zinc/68/59/68/568685968.db2.gz ZNSMBCNRMPWOTJ-UHFFFAOYSA-N 1 0 415.490 2.721 40 0 HFABRO C[NH+](C)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C[C@H]1CCCO1 ZINC000260921023 568744309 /nfs/dbraw/zinc/74/43/09/568744309.db2.gz ODKNYGKHWPGPSE-DUXKGJEZSA-N 1 0 413.591 2.986 40 0 HFABRO O=S(=O)(c1ccccc1)N1C[C@@H]2CN(C3CC[NH+](Cc4ccccc4)CC3)[C@@H]2C1 ZINC000247292680 568744494 /nfs/dbraw/zinc/74/44/94/568744494.db2.gz BJOQEGDXVHMAMJ-NFBKMPQASA-N 1 0 411.571 2.656 40 0 HFABRO CSc1ccccc1C[N@@H+]1CC[C@]2(C1)COCc1cnc(N3CCCC3=O)nc12 ZINC000247831748 568745927 /nfs/dbraw/zinc/74/59/27/568745927.db2.gz LLLADMLIHMYNKH-QFIPXVFZSA-N 1 0 410.543 2.999 40 0 HFABRO CN(C)C(=O)c1sc2nc([C@]3(C)CCC[N@H+](Cc4cnccn4)C3)ccc2c1N ZINC000257217509 568781192 /nfs/dbraw/zinc/78/11/92/568781192.db2.gz CZGQNKGKHLAKHX-OAQYLSRUSA-N 1 0 410.547 2.924 40 0 HFABRO CC(=O)N1C[C@H](c2ccccc2)[C@H]2CN(C(=O)c3ccc(OCC[NH3+])cc3)CC[C@H]21 ZINC000257245331 568788821 /nfs/dbraw/zinc/78/88/21/568788821.db2.gz IOZXNARVTZUCQG-DNVJHFABSA-N 1 0 407.514 2.501 40 0 HFABRO Cc1cc(Nc2ccc(F)cn2)cc([C@@H]2CCN(S(=O)(=O)N3CCCC3)C2)[nH+]1 ZINC000257251635 568790679 /nfs/dbraw/zinc/79/06/79/568790679.db2.gz JRNUSEGPHGQJPL-OAHLLOKOSA-N 1 0 405.499 2.798 40 0 HFABRO CCNc1nc(C)c(C(=O)N2CCC[C@](O)(C[NH+]3CCC(F)(F)CC3)CC2)s1 ZINC000257268124 568795112 /nfs/dbraw/zinc/79/51/12/568795112.db2.gz MKIRLAHVBOZZHO-GOSISDBHSA-N 1 0 416.538 2.972 40 0 HFABRO CCN(CC)S(=O)(=O)N1CCC(c2cc(Nc3ncccn3)cc(C)[nH+]2)CC1 ZINC000257285871 568800136 /nfs/dbraw/zinc/80/01/36/568800136.db2.gz PJGSXCLIPNVNII-UHFFFAOYSA-N 1 0 404.540 2.690 40 0 HFABRO CN(Cc1cc(C(C)(C)C)ccc1OCC(N)=O)[C@@H]1CCC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257294137 568802683 /nfs/dbraw/zinc/80/26/83/568802683.db2.gz QSRRHMBCHDRJDP-TXTKFYIRSA-N 1 0 417.594 2.658 40 0 HFABRO O=C(c1ccc(OCC[NH+]2CCCCC2)cc1)N1CC[C@H](O)[C@@H](n2ccnc2)CC1 ZINC000257321778 568810833 /nfs/dbraw/zinc/81/08/33/568810833.db2.gz WDFAMRNMZTUOCQ-VXKWHMMOSA-N 1 0 412.534 2.586 40 0 HFABRO COc1ccc(CN2CCO[C@]3(C[N@@H+](C4CCC4)C[C@H]3c3cccnc3)C2=O)cc1 ZINC000306125315 568888177 /nfs/dbraw/zinc/88/81/77/568888177.db2.gz CMHACGRMSYKICE-UPVQGACJSA-N 1 0 407.514 2.840 40 0 HFABRO O=C(NCc1ccccc1)c1nnc2n1C[C@@H]1C[N@@H+](CCc3ccccc3)C[C@@H]1C2 ZINC000306126339 568889214 /nfs/dbraw/zinc/88/92/14/568889214.db2.gz DSZGIHYUTIXSTI-SFTDATJTSA-N 1 0 401.514 2.555 40 0 HFABRO O=c1c(=O)n(CC2CCCCC2)nc2n1C[C@@H]1CC[N@@H+](Cc3cccc(F)c3)C[C@H]21 ZINC000306133113 568895323 /nfs/dbraw/zinc/89/53/23/568895323.db2.gz MCLXMTMHDRCKGG-ICSRJNTNSA-N 1 0 412.509 2.744 40 0 HFABRO CCCNC(=O)c1nnc2n1CC1(CC[NH+](Cc3ccc(C)s3)CC1)COC2 ZINC000306133863 568895829 /nfs/dbraw/zinc/89/58/29/568895829.db2.gz MYAAUBXXYHLYFO-UHFFFAOYSA-N 1 0 403.552 2.600 40 0 HFABRO Cc1cc(C)cc(C[N@@H+]2CC[C@@]3(CCn4c3nn(Cc3cccs3)c(=O)c4=O)C2)c1 ZINC000306133988 568895995 /nfs/dbraw/zinc/89/59/95/568895995.db2.gz NBAVYZJDATZYAW-HSZRJFAPSA-N 1 0 422.554 2.679 40 0 HFABRO COc1cccc(C[N@H+]2C[C@H]3Cc4nnc(C(=O)NCc5ccccc5)n4C[C@@H]3C2)c1 ZINC000306136655 568898436 /nfs/dbraw/zinc/89/84/36/568898436.db2.gz PZIDBYXJUVQWLQ-UXHICEINSA-N 1 0 417.513 2.521 40 0 HFABRO Cc1ccsc1C[N@H+]1C[C@H]2Cc3nnc(C(=O)NCc4ccccc4)n3C[C@@H]2C1 ZINC000306136594 568898450 /nfs/dbraw/zinc/89/84/50/568898450.db2.gz PXTKDMPSOKCXEW-MSOLQXFVSA-N 1 0 407.543 2.882 40 0 HFABRO O=C1N(Cc2ccsc2)CCO[C@]12C[N@H+](Cc1ccncc1)C[C@@H]2c1cccnc1 ZINC000306137128 568898867 /nfs/dbraw/zinc/89/88/67/568898867.db2.gz QMBVVHXMTIHJBO-GGAORHGYSA-N 1 0 420.538 2.935 40 0 HFABRO COCCN1C[C@@]2(CC[N@H+](Cc3ccc(C)s3)C2)Oc2ccccc2S1(=O)=O ZINC000306144015 568905443 /nfs/dbraw/zinc/90/54/43/568905443.db2.gz YTLNYUDMBXKTHO-FQEVSTJZSA-N 1 0 422.572 2.731 40 0 HFABRO C[NH+](C)CCNc1nc(Nc2cccc(Br)c2)cc(-c2ccccn2)n1 ZINC000328990968 568971611 /nfs/dbraw/zinc/97/16/11/568971611.db2.gz IQZDBXBCKZOGOA-UHFFFAOYSA-N 1 0 413.323 2.862 40 0 HFABRO Cc1ccc(NC(=O)N2CCN(c3cn[nH+]c(N4CCOCC4)c3)CC2)cc1Cl ZINC000224330877 569058588 /nfs/dbraw/zinc/05/85/88/569058588.db2.gz HHYAVBMAFAIENA-UHFFFAOYSA-N 1 0 416.913 2.629 40 0 HFABRO C[C@H]1Oc2ccccc2O[C@@H]1C[NH+]1CCC2(CC1)C(=O)N(C)CN2c1ccccc1 ZINC000095869983 569069908 /nfs/dbraw/zinc/06/99/08/569069908.db2.gz XCURAXQEILSZCX-XMSQKQJNSA-N 1 0 407.514 2.986 40 0 HFABRO C[C@@H]1Oc2ccccc2O[C@@H]1C[NH+]1CCC2(CC1)C(=O)N(C)CN2c1ccccc1 ZINC000095869984 569069924 /nfs/dbraw/zinc/06/99/24/569069924.db2.gz XCURAXQEILSZCX-PGRDOPGGSA-N 1 0 407.514 2.986 40 0 HFABRO Cc1ccc(C)c(N([C@@H](C)C(=O)NCCC[NH+]2CCCCCC2)S(C)(=O)=O)c1 ZINC000010111277 569342835 /nfs/dbraw/zinc/34/28/35/569342835.db2.gz UBYZVZIPGXZBNY-IBGZPJMESA-N 1 0 409.596 2.840 40 0 HFABRO COc1cccc(C[N@@H+]2CCC[C@H](c3nn(CCNC(C)=O)c4ncccc34)C2)c1 ZINC000012219517 569344757 /nfs/dbraw/zinc/34/47/57/569344757.db2.gz UNELSAQUORBMQU-IBGZPJMESA-N 1 0 407.518 2.956 40 0 HFABRO O=C(C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21)N1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000019292009 569345463 /nfs/dbraw/zinc/34/54/63/569345463.db2.gz DKMFOTAVDJZKEB-ZVDOUQERSA-N 1 0 412.578 2.940 40 0 HFABRO CC(C)C[NH+]1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)CC3CCCC3)C1)C2=O ZINC000019699713 569347053 /nfs/dbraw/zinc/34/70/53/569347053.db2.gz YQQVUHTWWOWBBG-LJQANCHMSA-N 1 0 418.582 2.600 40 0 HFABRO CNc1cc(C2CC[NH2+]CC2)nc(CN(C)C(=O)c2cc(Cl)ccc2OC)n1 ZINC000019710046 569348175 /nfs/dbraw/zinc/34/81/75/569348175.db2.gz NLGMFHAGCZLCDY-UHFFFAOYSA-N 1 0 403.914 2.920 40 0 HFABRO Cc1c(F)cccc1NC(=O)CN(C)Cc1cc(N(C)C)nc([C@@H]2CCC[NH2+]C2)n1 ZINC000019709731 569428915 /nfs/dbraw/zinc/42/89/15/569428915.db2.gz QQOLWVPRPSBYMK-MRXNPFEDSA-N 1 0 414.529 2.528 40 0 HFABRO [NH3+][C@H](CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C1(O)COC1 ZINC000584883997 571049525 /nfs/dbraw/zinc/04/95/25/571049525.db2.gz STXUNQBLENNEOW-HSZRJFAPSA-N 1 0 416.521 2.964 40 0 HFABRO COc1ccc(-c2cc([C@H]3C[N@@H+]4CC[C@H]3C[C@@H]4CNC(=O)C3CC3)n(C)n2)cc1OC ZINC000008635503 291224237 /nfs/dbraw/zinc/22/42/37/291224237.db2.gz BJOOUMPWCUMRCJ-UHOSZYNNSA-N 1 0 424.545 2.808 40 0 biogenic,in-vitro HFABRO COc1ccc(CNC(=O)[C@H]2O[C@H](CC[N@H+](C)Cc3ccccc3)CC[C@@H]2O)cc1 ZINC000030879388 291225160 /nfs/dbraw/zinc/22/51/60/291225160.db2.gz OZZLLNQPKYFWGN-VABKMULXSA-N 1 0 412.530 2.742 40 0 biogenic,in-vitro HFABRO O=C(Cn1cc(C(=O)NC2CCCC2)ccc1=O)Nc1ccccc1C[NH+]1CCCC1 ZINC000072344602 527366126 /nfs/dbraw/zinc/36/61/26/527366126.db2.gz OGBQUHXEUOVLOB-UHFFFAOYSA-N 1 0 422.529 2.755 40 0 HFABRO CCc1ccc(OCC(=O)Nc2cc(C(=O)OC)ccc2N2CC[NH+](C)CC2)cc1 ZINC000408567774 557465627 /nfs/dbraw/zinc/46/56/27/557465627.db2.gz GLJXJMYRAODNIE-UHFFFAOYSA-N 1 0 411.502 2.805 40 0 HFABRO CC[NH+](CC)CCN(S(=O)(=O)Cc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000005469535 557655611 /nfs/dbraw/zinc/65/56/11/557655611.db2.gz OPGBHCFAOSJHMJ-UHFFFAOYSA-N 1 0 410.561 2.549 40 0 HFABRO CC1(C)CC(NC(=O)C(=O)Nc2ccccc2C(=O)NC2CCCC2)CC(C)(C)[NH2+]1 ZINC000408709161 557736272 /nfs/dbraw/zinc/73/62/72/557736272.db2.gz PEAPHUWNTMRSKO-UHFFFAOYSA-N 1 0 414.550 2.723 40 0 HFABRO CCc1nn(CC(=O)NCC[NH+](C(C)C)C(C)C)c(=O)c2cc3ccsc3n21 ZINC000012114317 558327259 /nfs/dbraw/zinc/32/72/59/558327259.db2.gz SXVHMEYQSHNEGO-UHFFFAOYSA-N 1 0 403.552 2.508 40 0 HFABRO CC(C)(C)c1ccc(N(CC(=O)NCCC[NH+]2CCCCC2)S(C)(=O)=O)cc1 ZINC000013668176 558560168 /nfs/dbraw/zinc/56/01/68/558560168.db2.gz KMWXBTIXJDQCIA-UHFFFAOYSA-N 1 0 409.596 2.742 40 0 HFABRO C[C@@H](C(=O)NCCC[NH+]1CCC(C)CC1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013668579 558560485 /nfs/dbraw/zinc/56/04/85/558560485.db2.gz UCQAVFHLJBHGRQ-INIZCTEOSA-N 1 0 415.987 2.733 40 0 HFABRO O=C1c2cccc3cccc(c32)C(=O)N1CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000028048370 558690471 /nfs/dbraw/zinc/69/04/71/558690471.db2.gz RBJXXRFWRJZFKE-UHFFFAOYSA-N 1 0 415.497 2.828 40 0 HFABRO Cc1ccc([C@H](C)C(=O)N[C@@H](C)C(=O)N2Cc3ccccc3OC[C@@H]2C[NH+](C)C)cc1 ZINC000072394909 558809108 /nfs/dbraw/zinc/80/91/08/558809108.db2.gz OSWNHAWWXIFIKW-IPJJNNNSSA-N 1 0 423.557 2.955 40 0 HFABRO Cc1cccc(CS(=O)(=O)N2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)c1 ZINC000038771794 558815213 /nfs/dbraw/zinc/81/52/13/558815213.db2.gz WFSDFAMEBDGIMV-UHFFFAOYSA-N 1 0 421.607 2.529 40 0 HFABRO O=C(C1CCCCC1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](C1CCOCC1)CC2 ZINC000019014681 558836736 /nfs/dbraw/zinc/83/67/36/558836736.db2.gz ZTFBJYGTEHITAU-HXUWFJFHSA-N 1 0 414.550 2.551 40 0 HFABRO O=C(C1CCCCC1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](C1CCOCC1)CC2 ZINC000019014679 558836825 /nfs/dbraw/zinc/83/68/25/558836825.db2.gz ZTFBJYGTEHITAU-FQEVSTJZSA-N 1 0 414.550 2.551 40 0 HFABRO C[C@H](C(=O)N1CCNC(=O)[C@@H](Cc2ccccc2-c2ccncc2)C1)[NH+]1CCCCC1 ZINC000019079207 558838842 /nfs/dbraw/zinc/83/88/42/558838842.db2.gz GLVGSWVHYNAPSC-KNQAVFIVSA-N 1 0 420.557 2.740 40 0 HFABRO Cc1ccccc1N(CC(=O)NCc1cccc(C[NH+]2CCCC2)c1)S(C)(=O)=O ZINC000046375019 558840359 /nfs/dbraw/zinc/84/03/59/558840359.db2.gz QQTYIFABDSILMX-UHFFFAOYSA-N 1 0 415.559 2.673 40 0 HFABRO Cc1cccc(C[N@H+]2C[C@H](C(=O)NC(C)C)[C@@H](c3ccnc(N4CCCC4)n3)C2)n1 ZINC000019236326 558855451 /nfs/dbraw/zinc/85/54/51/558855451.db2.gz JWSLXODHJVNUAF-PMACEKPBSA-N 1 0 408.550 2.520 40 0 HFABRO COCCOc1ccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2nccn2C)cc1OC ZINC000019291377 558863892 /nfs/dbraw/zinc/86/38/92/558863892.db2.gz SZEOSHOACFWLCH-LIMIJEPZSA-N 1 0 415.534 2.574 40 0 HFABRO O=C(c1cccc(F)c1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)C[N@@H+](C2CCCC2)CC3)C1 ZINC000019293505 558865353 /nfs/dbraw/zinc/86/53/53/558865353.db2.gz BGINVEPEYSJTCH-MRXNPFEDSA-N 1 0 410.493 2.839 40 0 HFABRO O=C(C1CC1)N1CCc2nc([C@@H]3CCC[N@@H+](Cc4cccc(F)c4)C3)[nH]c(=O)c2C1 ZINC000019293839 558865467 /nfs/dbraw/zinc/86/54/67/558865467.db2.gz ZYZSNGVZCPTFKO-QGZVFWFLSA-N 1 0 410.493 2.583 40 0 HFABRO O=c1cc(-c2cccnc2)nc(C2CC[NH+](Cc3ccc(OCCO)cc3)CC2)[nH]1 ZINC000019340357 558871457 /nfs/dbraw/zinc/87/14/57/558871457.db2.gz REUBCKPPMVQSBH-UHFFFAOYSA-N 1 0 406.486 2.583 40 0 HFABRO O=C(C1CC1)N1CCc2nc([C@@H]3CCC[N@@H+](Cc4ccccc4F)C3)[nH]c(=O)c2C1 ZINC000019349029 558874929 /nfs/dbraw/zinc/87/49/29/558874929.db2.gz ZDEJWVJQSICMKQ-QGZVFWFLSA-N 1 0 410.493 2.583 40 0 HFABRO COc1ccc(C[N@@H+]2CCc3nc(-c4cnccn4)[nH]c(=O)c3CC2)cc1OC(C)C ZINC000019450501 558888913 /nfs/dbraw/zinc/88/89/13/558888913.db2.gz ULONZEKRBDGSOE-UHFFFAOYSA-N 1 0 421.501 2.624 40 0 HFABRO CCCC(=O)N1CCc2nc([C@@H]3CCC[N@H+](Cc4ccccc4F)C3)[nH]c(=O)c2C1 ZINC000019501594 558899657 /nfs/dbraw/zinc/89/96/57/558899657.db2.gz XRPJXXJBJXMXDW-QGZVFWFLSA-N 1 0 412.509 2.973 40 0 HFABRO CCCC(=O)N1CCc2nc([C@H]3CCC[N@H+](Cc4cccc(F)c4)C3)[nH]c(=O)c2C1 ZINC000019501589 558899663 /nfs/dbraw/zinc/89/96/63/558899663.db2.gz SUACVJNWEBKHOL-KRWDZBQOSA-N 1 0 412.509 2.973 40 0 HFABRO CCN(C(=O)c1c[nH]nc1C1CCN(C(=O)C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000019526670 558907967 /nfs/dbraw/zinc/90/79/67/558907967.db2.gz XKYRKMIXJNWYNM-UHFFFAOYSA-N 1 0 409.534 2.878 40 0 HFABRO CCOc1ccc(CC(=O)N2CCC[C@H](c3nc4c(c(=O)[nH]3)C[N@H+](C)CC4)C2)cc1 ZINC000019532867 558912765 /nfs/dbraw/zinc/91/27/65/558912765.db2.gz XUENDVLDDIIANS-KRWDZBQOSA-N 1 0 410.518 2.518 40 0 HFABRO CCOc1ccc(C[N@@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3CC2)cc1OC ZINC000019533912 558913573 /nfs/dbraw/zinc/91/35/73/558913573.db2.gz MBSUQQORQDDHDP-UHFFFAOYSA-N 1 0 406.486 2.840 40 0 HFABRO Cc1cc(C[N@@H+]2CCC[C@H](c3nc4c(c(=O)[nH]3)CN(C(=O)C3CC3)CC4)C2)cs1 ZINC000019572051 558930403 /nfs/dbraw/zinc/93/04/03/558930403.db2.gz VDZUWCSROUUVSC-KRWDZBQOSA-N 1 0 412.559 2.814 40 0 HFABRO CC(C)NC(=O)[C@@H]1C[N@@H+]([C@@H](C)Cc2ccccc2F)C[C@]12Cc1ccccc1C(=O)N2 ZINC000072334459 558935583 /nfs/dbraw/zinc/93/55/83/558935583.db2.gz SKFGWGMBEGWHKN-SBJAYZTMSA-N 1 0 423.532 2.938 40 0 HFABRO Cc1cc2nc(C)c(CCC(=O)N3CCC(CC[NH+]4CCOCC4)CC3)c(C)n2n1 ZINC000019657200 558949733 /nfs/dbraw/zinc/94/97/33/558949733.db2.gz BZNMYYSXRUTDES-UHFFFAOYSA-N 1 0 413.566 2.548 40 0 HFABRO Cc1nc([C@@H]2CCCN2C(=O)C[NH+](C)C)nc2c1CCC(=O)N2CCc1ccccc1 ZINC000072371107 558957681 /nfs/dbraw/zinc/95/76/81/558957681.db2.gz AEMUJKOYSUTNFZ-FQEVSTJZSA-N 1 0 421.545 2.532 40 0 HFABRO COc1cc([C@H]2c3cc4c(cc3O[C@H]([NH2+]CCO)[C@@H]2C)OCO4)cc(OC)c1OC ZINC000073410560 558986285 /nfs/dbraw/zinc/98/62/85/558986285.db2.gz CHLPTPUGQIRMDQ-UOCGYEETSA-N 1 0 417.458 2.510 40 0 HFABRO O=C(C[N@@H+]1CCC[C@@H]2CCCC[C@H]21)N1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000257220347 558990640 /nfs/dbraw/zinc/99/06/40/558990640.db2.gz DKMFOTAVDJZKEB-QKNQBKEWSA-N 1 0 412.578 2.940 40 0 HFABRO O=C(C[N@@H+]1CCC[C@@H]2CCCC[C@H]21)N1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000257220346 558990646 /nfs/dbraw/zinc/99/06/46/558990646.db2.gz DKMFOTAVDJZKEB-IRFCIJBXSA-N 1 0 412.578 2.940 40 0 HFABRO O=C(C[N@@H+]1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000257299059 559009403 /nfs/dbraw/zinc/00/94/03/559009403.db2.gz ROOULFYYWGUYBD-IRFCIJBXSA-N 1 0 412.578 2.940 40 0 HFABRO Cc1c(C[N@@H+]2CCC[C@]3(CCC(=O)N3CC(=O)N3CCCC3)CC2)nc2ccccn12 ZINC000585099978 559024514 /nfs/dbraw/zinc/02/45/14/559024514.db2.gz BVYBIFMFEWYFSY-DEOSSOPVSA-N 1 0 423.561 2.612 40 0 HFABRO Cc1ccc(C(=O)N2CCC3(CO[C@@H](C[N@H+]4CC[C@@H](C)[C@H](O)C4)C3)CC2)cc1F ZINC000585104190 559025985 /nfs/dbraw/zinc/02/59/85/559025985.db2.gz MJCASPNYPAQUGJ-YFVAEKQCSA-N 1 0 404.526 2.848 40 0 HFABRO CCCC[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc(Cl)c(F)c2)CC1 ZINC000585106310 559028697 /nfs/dbraw/zinc/02/86/97/559028697.db2.gz SDNXXNUZLWSFON-CVEARBPZSA-N 1 0 407.917 2.932 40 0 HFABRO CCOC(=O)[C@@]12C[N@H+](Cc3cccc(C)n3)C[C@@H]1CN(C(=O)C1(F)CCC1)CCC2 ZINC000585108042 559029921 /nfs/dbraw/zinc/02/99/21/559029921.db2.gz HULGGGAPCLDLFA-GCJKJVERSA-N 1 0 417.525 2.886 40 0 HFABRO C[NH+](C)CCN1CCOC[C@@]2(CCCN(C(=O)c3ccc(-n4cccc4)cc3)C2)C1 ZINC000096076356 559094562 /nfs/dbraw/zinc/09/45/62/559094562.db2.gz PLGYUZBNKKWWHY-DEOSSOPVSA-N 1 0 410.562 2.594 40 0 HFABRO CCN1C(=O)[C@H]2C[N@H+](CC(C)C)C[C@H]2C12CCN(C(=O)c1ccc(OC)cc1)CC2 ZINC000096143599 559096023 /nfs/dbraw/zinc/09/60/23/559096023.db2.gz PPFNKXRXLYLALS-LEWJYISDSA-N 1 0 413.562 2.736 40 0 HFABRO O=C(NCc1cccnc1)[C@@H]1Cn2ccnc2C2(CC[NH+](Cc3cccs3)CC2)O1 ZINC000096243817 559104858 /nfs/dbraw/zinc/10/48/58/559104858.db2.gz VNJVPYHHUPFOAL-IBGZPJMESA-N 1 0 423.542 2.546 40 0 HFABRO Cc1ccc(NC(=O)c2c3ccccn3c3ncnc(N4CC[NH+](C)CC4)c32)cn1 ZINC000096264421 559107510 /nfs/dbraw/zinc/10/75/10/559107510.db2.gz JJZYTQHCSHMOPA-UHFFFAOYSA-N 1 0 401.474 2.590 40 0 HFABRO CC(=O)N[C@]12CN(C(C)=O)[C@H](c3ccccc3)[C@H]1CC[N@H+](Cc1ccc(O)cc1)C2 ZINC000585261349 559108854 /nfs/dbraw/zinc/10/88/54/559108854.db2.gz NHWWXZLWGNJSRT-WXFUMESZSA-N 1 0 407.514 2.692 40 0 HFABRO CCOc1cc(C[N@H+](C)C[C@@H](O)c2ccccc2)ccc1OCCN1CCOCC1 ZINC000585272062 559117825 /nfs/dbraw/zinc/11/78/25/559117825.db2.gz ITHBNRCPMXSBQL-JOCHJYFZSA-N 1 0 414.546 2.962 40 0 HFABRO COc1cccc(N2CCC(O)(C[N@@H+]3CC[C@H]4[C@@H]3CCCCN4C(C)=O)CC2)c1 ZINC000585283491 559120643 /nfs/dbraw/zinc/12/06/43/559120643.db2.gz OTCOJAAXAYJKBV-VXKWHMMOSA-N 1 0 401.551 2.502 40 0 HFABRO CC(=O)N1CC[C@H]2[C@@H](C1)CCCC[N@@H+]2CC1(O)CCN(c2ccccc2F)CC1 ZINC000585287077 559122166 /nfs/dbraw/zinc/12/21/66/559122166.db2.gz SHNXRQFYFGLVNM-CTNGQTDRSA-N 1 0 403.542 2.880 40 0 HFABRO Cc1nn(-c2ccccc2)c(Cl)c1COc1ccc(C[NH2+]C[C@H](O)CO)cc1 ZINC000585294258 559127033 /nfs/dbraw/zinc/12/70/33/559127033.db2.gz ULECATQLOVAHGT-SFHVURJKSA-N 1 0 401.894 2.856 40 0 HFABRO Cc1ccc(N(CC(=O)NC2CC[NH+](C)CC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000113934410 559182226 /nfs/dbraw/zinc/18/22/26/559182226.db2.gz IXCMMCOBNFDANG-UHFFFAOYSA-N 1 0 415.559 2.709 40 0 HFABRO COc1ccc(CNC(=O)C[N@@H+]2CCC[C@@](O)(COc3ccccc3F)CC2)cc1 ZINC000257231343 559283983 /nfs/dbraw/zinc/28/39/83/559283983.db2.gz GGGRQRPVOJLKPE-QHCPKHFHSA-N 1 0 416.493 2.747 40 0 HFABRO C[N@@H+](Cc1ccc(OCCN2CCOCC2)cc1)C[C@H](O)Cn1ccc2ccccc21 ZINC000257291980 559285689 /nfs/dbraw/zinc/28/56/89/559285689.db2.gz QJMGHKCFCPHEQF-QHCPKHFHSA-N 1 0 423.557 2.845 40 0 HFABRO Cc1ccc(C)c2[nH]c(=O)c(CN(CC[NH+](C)C)C(=S)NC[C@@H]3CCCO3)cc12 ZINC000004133521 560600623 /nfs/dbraw/zinc/60/06/23/560600623.db2.gz KVCKBTNSHDZVIV-SFHVURJKSA-N 1 0 416.591 2.562 40 0 HFABRO C[NH+](C)CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C(=O)Nc1ccccc1 ZINC000004231300 560603075 /nfs/dbraw/zinc/60/30/75/560603075.db2.gz SXILAQOKRPNRCT-UHFFFAOYSA-N 1 0 422.485 2.895 40 0 HFABRO Cc1ccc(NC(=[NH2+])NC2=N[C@H](CC(=O)Nc3cccc4ccccc43)C(=O)N2)cc1 ZINC000009264791 560757687 /nfs/dbraw/zinc/75/76/87/560757687.db2.gz MIIGLIMSQZLDLQ-LJQANCHMSA-N 1 0 414.469 2.968 40 0 HFABRO Cc1ccc(N(CC(=O)NCC[NH+](C)C)S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000010111605 560763797 /nfs/dbraw/zinc/76/37/97/560763797.db2.gz LSLFBSMVNJHRRA-UHFFFAOYSA-N 1 0 423.966 2.830 40 0 HFABRO CC[NH+]1CCN([C@@H](c2nnnn2C2CCCCC2)c2ccc(OC)c(OC)c2)CC1 ZINC000019527983 560874689 /nfs/dbraw/zinc/87/46/89/560874689.db2.gz RJIKWRFCBFVRMO-OAQYLSRUSA-N 1 0 414.554 2.922 40 0 HFABRO OC[C@H]1[C@H](O)C[C@@H]([NH2+]Cc2cccc(F)c2)[C@@H]1Cc1ccnc(-c2ccccc2)n1 ZINC000604382374 568489524 /nfs/dbraw/zinc/48/95/24/568489524.db2.gz PMSABNKEWCLRAI-SSGKUCQKSA-N 1 0 407.489 2.973 40 0 biogenic,in-vitro HFABRO C[NH+](C)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C[C@@H]1CCCO1 ZINC000223219831 568541350 /nfs/dbraw/zinc/54/13/50/568541350.db2.gz ODKNYGKHWPGPSE-IOMROCGXSA-N 1 0 413.591 2.986 40 0 HFABRO C[NH+](C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1Cc1ccccn1 ZINC000223282166 568543916 /nfs/dbraw/zinc/54/39/16/568543916.db2.gz KPGPVCCEGKKEAP-SFTDATJTSA-N 1 0 406.559 2.861 40 0 HFABRO Cc1ccc(N(CC(=O)NCc2cccc(C[NH+]3CCCC3)c2)S(C)(=O)=O)cc1 ZINC000224598313 568587171 /nfs/dbraw/zinc/58/71/71/568587171.db2.gz POKXGSKKUFLTFJ-UHFFFAOYSA-N 1 0 415.559 2.673 40 0 HFABRO CN(c1cccc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)c1)S(C)(=O)=O ZINC000224848236 568600165 /nfs/dbraw/zinc/60/01/65/568600165.db2.gz CYGLEFJWVAYVRP-UHFFFAOYSA-N 1 0 415.559 2.998 40 0 HFABRO Cc1cccc(N(CCCC(=O)NCCC[NH+]2CCCCC2)S(C)(=O)=O)c1C ZINC000224929113 568604438 /nfs/dbraw/zinc/60/44/38/568604438.db2.gz QJVCOPKFBYAXPZ-UHFFFAOYSA-N 1 0 409.596 2.842 40 0 HFABRO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCC[N@H+]3CCC[C@H](C)C3)C2)cc1 ZINC000065057415 568714319 /nfs/dbraw/zinc/71/43/19/568714319.db2.gz WDVNESVKTCJJQQ-VQTJNVASSA-N 1 0 421.607 2.634 40 0 HFABRO CN1CC=CC[C@]2(CCCN(C(=O)C[NH+]3CCC(Cc4ccccc4)CC3)C2)C1=O ZINC000257214187 568780231 /nfs/dbraw/zinc/78/02/31/568780231.db2.gz CKYDNWMXAJNSMD-RUZDIDTESA-N 1 0 409.574 2.968 40 0 HFABRO Cc1ccccc1C[N@@H+]1CC[C@@H](c2nc(C)c(CC(=O)N3CCOCC3)c(C)n2)C1 ZINC000257272128 568796147 /nfs/dbraw/zinc/79/61/47/568796147.db2.gz NBESLVYGJWBEHV-OAQYLSRUSA-N 1 0 408.546 2.793 40 0 HFABRO NC(=O)[C@]1(c2ccccn2)CCCN(C(=O)c2ccccc2C[NH+]2CCCCC2)C1 ZINC000257273593 568796561 /nfs/dbraw/zinc/79/65/61/568796561.db2.gz NHIBODAUNBWAFJ-XMMPIXPASA-N 1 0 406.530 2.727 40 0 HFABRO O=C(NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCC(O)CC2)CC1)C1CCC1 ZINC000257326677 568812191 /nfs/dbraw/zinc/81/21/91/568812191.db2.gz WYEDBMWOUYRDLR-FIXSFTCYSA-N 1 0 400.563 2.601 40 0 HFABRO N[C@@]1(C[NH3+])[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218239605 568836763 /nfs/dbraw/zinc/83/67/63/568836763.db2.gz YQGKHYDGFHBWRW-PMPSAXMXSA-N 1 0 415.740 2.698 40 0 HFABRO Cc1ccc(C[N@H+]2C[C@@H]3Cc4nnc(C(=O)NCc5ccccc5)n4C[C@@H]3C2)s1 ZINC000306126272 568888810 /nfs/dbraw/zinc/88/88/10/568888810.db2.gz DRDZGKMFGMDDLF-ROUUACIJSA-N 1 0 407.543 2.882 40 0 HFABRO O=S(=O)(NC[C@H]1CC2(CC[NH+](C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)O1)c1ccccc1 ZINC000306127354 568890278 /nfs/dbraw/zinc/89/02/78/568890278.db2.gz FWOUZHCSKJGETL-IYWMVGAKSA-N 1 0 402.560 2.801 40 0 HFABRO COCCN1CC[C@]2(C[N@H+](Cc3ccsc3)C[C@@H]2c2cn(C(C)C)cn2)C1=O ZINC000306132149 568894469 /nfs/dbraw/zinc/89/44/69/568894469.db2.gz LAAANIZXQPSAFX-WIYYLYMNSA-N 1 0 402.564 2.990 40 0 HFABRO CCc1ccc(C[N@@H+]2CC[C@]3(CCn4c3nn(Cc3cccs3)c(=O)c4=O)C2)cc1 ZINC000306133213 568895349 /nfs/dbraw/zinc/89/53/49/568895349.db2.gz MFJBVSGRMAUQPJ-QHCPKHFHSA-N 1 0 422.554 2.625 40 0 HFABRO CS(=O)(=O)N[C@@H]1CCN(Cc2cccs2)C[C@@]12CC[N@H+](Cc1ccccc1)C2 ZINC000306133890 568895948 /nfs/dbraw/zinc/89/59/48/568895948.db2.gz MYPBWZGBZMZKSP-NHCUHLMSSA-N 1 0 419.616 2.764 40 0 HFABRO COc1ccc(NC(=O)c2nnc3n2C[C@@H]2C[N@@H+](Cc4cccc(C)n4)C[C@H]2C3)cc1 ZINC000306136007 568897963 /nfs/dbraw/zinc/89/79/63/568897963.db2.gz PGJFWCYTMSLNTL-SJORKVTESA-N 1 0 418.501 2.547 40 0 HFABRO COc1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4ccc(C)cc4)N4CCC[C@H]34)C2O)cc1 ZINC000101320080 568916779 /nfs/dbraw/zinc/91/67/79/568916779.db2.gz NCPXALZWXBXALK-CGXNFDGLSA-N 1 0 404.466 2.839 40 0 HFABRO C[C@@]12CC[C@@H](C[C@@H]1C(=O)N1CC[N@@H+]3CCC[C@H]3C1)[C@@]1(C2)Nc2ccccc2C(=O)N1 ZINC000253595472 569318315 /nfs/dbraw/zinc/31/83/15/569318315.db2.gz FAOJJDMFNZOAEQ-OCAKCSDDSA-N 1 0 408.546 2.671 40 0 HFABRO Cc1ccc(C)c(N(CCCC(=O)NCCC[NH+]2CCCCC2)S(C)(=O)=O)c1 ZINC000010279960 569343191 /nfs/dbraw/zinc/34/31/91/569343191.db2.gz UQVMQZPOFTWPTN-UHFFFAOYSA-N 1 0 409.596 2.842 40 0 HFABRO COc1ccc(C[N@@H+]2CC[C@H](c3cc(C(=O)N(C)C)[nH]n3)C2)cc1Cn1ccnc1C ZINC000019707700 569348009 /nfs/dbraw/zinc/34/80/09/569348009.db2.gz UAJLJMPKTXNQHF-SFHVURJKSA-N 1 0 422.533 2.663 40 0 HFABRO CN(C)c1cc(CN(C)C(=O)Cc2c[nH]c3ccccc23)nc([C@@H]2CCC[NH2+]C2)n1 ZINC000019709719 569348065 /nfs/dbraw/zinc/34/80/65/569348065.db2.gz QDAMKDCXSKBHST-MRXNPFEDSA-N 1 0 406.534 2.692 40 0 HFABRO Cn1nc(C(=O)N2[C@H](Cc3ccccc3)C[C@@]3(C)[C@@H]2CCCCC[N@@H+]3C)ccc1=O ZINC000019713495 569348403 /nfs/dbraw/zinc/34/84/03/569348403.db2.gz LUXCPSKHEQKKBU-IZIIKQMZSA-N 1 0 408.546 2.871 40 0 HFABRO Cc1nc(C2CC[NH+](Cc3cnn(C)c3)CC2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019766590 569349109 /nfs/dbraw/zinc/34/91/09/569349109.db2.gz NKNKBPLEYFTRKW-UHFFFAOYSA-N 1 0 422.508 2.967 40 0 HFABRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)C1 ZINC000044846237 524885452 /nfs/dbraw/zinc/88/54/52/524885452.db2.gz QEWJJMOPOPYCDC-KBPBESRZSA-N 1 0 401.960 2.809 40 0 HFABRO CS(=O)(=O)N(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1F ZINC000044857304 525150646 /nfs/dbraw/zinc/15/06/46/525150646.db2.gz YZPTUUBSQWYCBF-UHFFFAOYSA-N 1 0 419.522 2.504 40 0 HFABRO O=C([C@@H](c1ccccc1)[NH+]1CCCC1)N1CCC2(CC1)NC(=O)c1ccccc1O2 ZINC000072347639 526454836 /nfs/dbraw/zinc/45/48/36/526454836.db2.gz DXWIJERXYGPLQH-OAQYLSRUSA-N 1 0 405.498 2.965 40 0 HFABRO O=C(Cn1cccc(C(=O)Nc2ccccc2C[NH+]2CCCC2)c1=O)NC1CCCC1 ZINC000019750158 558270346 /nfs/dbraw/zinc/27/03/46/558270346.db2.gz SIELSZPRNDDSDB-UHFFFAOYSA-N 1 0 422.529 2.755 40 0 HFABRO O=C(Cn1cc(C(=O)Nc2ccccc2C[NH+]2CCCC2)ccc1=O)NC1CCCC1 ZINC000019751209 558271266 /nfs/dbraw/zinc/27/12/66/558271266.db2.gz YOXLMYHLRYYDRV-UHFFFAOYSA-N 1 0 422.529 2.755 40 0 HFABRO CCN(CC)C(=O)c1cnc([C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)nc1C ZINC000019753692 558273020 /nfs/dbraw/zinc/27/30/20/558273020.db2.gz ZKHVWVWDMFKYCL-LJQANCHMSA-N 1 0 401.555 2.662 40 0 HFABRO CC[NH+](CC)CCNC(=O)CN1N=C(C(C)(C)C)Cn2c(cc3ccccc32)C1=O ZINC000012117956 558329483 /nfs/dbraw/zinc/32/94/83/558329483.db2.gz WOMQQBSMZVVBAI-UHFFFAOYSA-N 1 0 411.550 2.957 40 0 HFABRO CC(C)n1c2ccc(S(=O)(=O)N3CCC[C@H](C[NH+]4CCCC4)C3)cc2oc1=O ZINC000012220616 558355726 /nfs/dbraw/zinc/35/57/26/558355726.db2.gz LETSSVBAIUARKK-MRXNPFEDSA-N 1 0 407.536 2.672 40 0 HFABRO CCOc1ccccc1OCCC[NH2+][C@H](C)Cc1ccc(OC)c(S(N)(=O)=O)c1 ZINC000022060232 558460567 /nfs/dbraw/zinc/46/05/67/558460567.db2.gz SQOCZDWIAGIVEA-MRXNPFEDSA-N 1 0 422.547 2.731 40 0 in-vitro HFABRO CSc1ccc(S(=O)(=O)N(CC(=O)NCC[NH+](C)C)c2ccc(C)cc2)cc1 ZINC000013613226 558549222 /nfs/dbraw/zinc/54/92/22/558549222.db2.gz BEJGOXXUWBMHCQ-UHFFFAOYSA-N 1 0 421.588 2.590 40 0 HFABRO Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000013670609 558561964 /nfs/dbraw/zinc/56/19/64/558561964.db2.gz VILWQPYXYKDZIQ-UHFFFAOYSA-N 1 0 407.580 2.631 40 0 HFABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCC[NH+](C)C)c2ccc(Cl)cc2)cc1 ZINC000013674445 558563817 /nfs/dbraw/zinc/56/38/17/558563817.db2.gz QZUKMIKENQSQCH-UHFFFAOYSA-N 1 0 409.939 2.522 40 0 HFABRO Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)N[C@@H](C)C(C)C)CC1(CC[NH+](C)CC1)O2 ZINC000019218397 558851182 /nfs/dbraw/zinc/85/11/82/558851182.db2.gz ZFRJTJCYEMQAQT-ZWKOTPCHSA-N 1 0 401.551 2.843 40 0 HFABRO O=C(C[N@@H+]1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000019292024 558864228 /nfs/dbraw/zinc/86/42/28/558864228.db2.gz HSZTUZCSQLSKLD-XUVXKRRUSA-N 1 0 412.578 2.798 40 0 HFABRO O=C(C[C@H]1C(=O)NCC[N@@H+]1C1CCCC1)N1CCC[C@@H](COc2ccc(F)cc2)C1 ZINC000019335788 558869926 /nfs/dbraw/zinc/86/99/26/558869926.db2.gz SMMDPYXXZWJSLN-UTKZUKDTSA-N 1 0 417.525 2.576 40 0 HFABRO O=C(Cc1cccs1)N1CC[C@H](c2nc3c(c(=O)[nH]2)C[N@@H+](C2CCCC2)CC3)C1 ZINC000019343156 558872552 /nfs/dbraw/zinc/87/25/52/558872552.db2.gz LWHHCCGLNYDFID-HNNXBMFYSA-N 1 0 412.559 2.691 40 0 HFABRO O=C1CCOC[C@]2(C[N@H+](Cc3ccccc3N3CCCCC3)C[C@H]2c2cccnc2)N1 ZINC000019349465 558875106 /nfs/dbraw/zinc/87/51/06/558875106.db2.gz SPQRKFVOTCVEJE-DHLKQENFSA-N 1 0 420.557 2.947 40 0 HFABRO CCCC(=O)N1CCc2nc([C@@H]3CCC[N@H+](Cc4cccs4)C3)[nH]c(=O)c2C1 ZINC000019501598 558899677 /nfs/dbraw/zinc/89/96/77/558899677.db2.gz ONHVPKJFMWAWOF-OAHLLOKOSA-N 1 0 400.548 2.896 40 0 HFABRO CCS(=O)(=O)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@H+](Cc1sccc1C)CC2 ZINC000019520324 558901227 /nfs/dbraw/zinc/90/12/27/558901227.db2.gz XIZJWASBQWPCHO-INIZCTEOSA-N 1 0 422.576 2.597 40 0 HFABRO COc1cc(C[NH+]2CCC(c3nnc(-c4cnccn4)o3)CC2)cc(OC)c1OC ZINC000019549719 558914418 /nfs/dbraw/zinc/91/44/18/558914418.db2.gz XIFLKCBKFNLDPB-UHFFFAOYSA-N 1 0 411.462 2.932 40 0 HFABRO Cc1nc2ccccn2c1C[N@@H+]1CCC[C@H](c2cc(C(=O)N3CCC(O)CC3)on2)C1 ZINC000019554949 558917881 /nfs/dbraw/zinc/91/78/81/558917881.db2.gz RSYXXHWPLMWSKP-KRWDZBQOSA-N 1 0 423.517 2.607 40 0 HFABRO Cc1nc2ccccn2c1C[NH+]1CCC(c2cc(C(=O)N3CCC[C@H](O)C3)on2)CC1 ZINC000019554928 558917893 /nfs/dbraw/zinc/91/78/93/558917893.db2.gz MOYYGRVEOGECSS-SFHVURJKSA-N 1 0 423.517 2.607 40 0 HFABRO COc1ccc(C[NH+]2CCC(CNC(=O)C[C@@H]3Oc4ccccc4NC3=O)CC2)cc1 ZINC000019554988 558917895 /nfs/dbraw/zinc/91/78/95/558917895.db2.gz BZKMHXKAKMCDNT-QFIPXVFZSA-N 1 0 423.513 2.813 40 0 HFABRO COc1cc(C)c(C[N@@H+]2CCC[C@@H](c3cc(=O)[nH]c(N4CCOCC4)n3)C2)cc1C ZINC000019567316 558926861 /nfs/dbraw/zinc/92/68/61/558926861.db2.gz USNGWXMCOANATR-GOSISDBHSA-N 1 0 412.534 2.612 40 0 HFABRO C[NH+](C)Cc1ccc(C(=O)N2CCC(c3ncccc3S(C)(=O)=O)CC2)cc1 ZINC000019583507 558938086 /nfs/dbraw/zinc/93/80/86/558938086.db2.gz RMLGZOYMJXQFQI-UHFFFAOYSA-N 1 0 401.532 2.567 40 0 HFABRO Cc1nc([C@@H]2CCCN2C(=O)C[NH+]2CCCC2)ncc1C(=O)Nc1ccc(F)cc1 ZINC000072345375 558941813 /nfs/dbraw/zinc/94/18/13/558941813.db2.gz AGKUZNJKQURROB-IBGZPJMESA-N 1 0 411.481 2.936 40 0 HFABRO COc1ccc(C[NH+]2CCC(CNC(=O)C3CCN(c4cnccn4)CC3)CC2)cc1 ZINC000072347703 558944724 /nfs/dbraw/zinc/94/47/24/558944724.db2.gz KNZXPSZVUCHYSO-UHFFFAOYSA-N 1 0 423.561 2.730 40 0 HFABRO CNC(=O)c1ccc(-c2cc(C)nc([C@H]3CCC[N@H+](Cc4ccnn4C)C3)c2)cn1 ZINC000072353682 558950685 /nfs/dbraw/zinc/95/06/85/558950685.db2.gz RRMZISNKYCCGGO-SFHVURJKSA-N 1 0 404.518 2.925 40 0 HFABRO CNc1nc([C@@H]2CCC[N@H+](C)C2)nc2c1CCN(C(=O)CCOc1ccccc1C)C2 ZINC000019708816 558971399 /nfs/dbraw/zinc/97/13/99/558971399.db2.gz KLJRXLHUJGTUJH-GOSISDBHSA-N 1 0 423.561 2.990 40 0 HFABRO CNc1nc([C@@H]2CCC[N@H+](C)C2)nc2c1CN(C(=O)CCOc1ccccc1C)CC2 ZINC000019710437 558972376 /nfs/dbraw/zinc/97/23/76/558972376.db2.gz ZAZIKVURMCCSLT-GOSISDBHSA-N 1 0 423.561 2.990 40 0 HFABRO C/C=C/C(=O)N[C@@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@@H]1C[NH+](C)C ZINC000072394975 558973756 /nfs/dbraw/zinc/97/37/56/558973756.db2.gz KJUIWUVGRYUJJQ-OTXRGOGSSA-N 1 0 421.541 2.641 40 0 HFABRO O=C(NCC(F)(F)F)[C@H]1C[N@H+](Cc2ccc(-n3ccnc3)cc2)CC12CCOCC2 ZINC000585101842 559024933 /nfs/dbraw/zinc/02/49/33/559024933.db2.gz GLCLCYWNJOBNPM-GOSISDBHSA-N 1 0 422.451 2.779 40 0 HFABRO CCc1ccccc1C(=O)N1CCC2(CO[C@@H](C[N@@H+]3CC[C@@H](C)[C@H](O)C3)C2)CC1 ZINC000585104602 559027160 /nfs/dbraw/zinc/02/71/60/559027160.db2.gz RBWYCTQPEVULPI-SYYKKAFVSA-N 1 0 400.563 2.963 40 0 HFABRO O=C(Cc1ccsc1)N1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](CC3CCCC3)C[C@@H]12 ZINC000585106191 559028480 /nfs/dbraw/zinc/02/84/80/559028480.db2.gz BELXQIMDGWTEDE-MOPGFXCFSA-N 1 0 401.576 2.520 40 0 HFABRO CC(C)C[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)Cc2ccccc2Cl)CC1 ZINC000585106175 559028507 /nfs/dbraw/zinc/02/85/07/559028507.db2.gz VCPSWVHXHRYRKP-MSOLQXFVSA-N 1 0 403.954 2.578 40 0 HFABRO CCn1cc(C[N@@H+]2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)NCc3cc(F)cc(F)c3)C2)cn1 ZINC000585109261 559030402 /nfs/dbraw/zinc/03/04/02/559030402.db2.gz FJTOFKVVZGWNJH-UIFIKXQLSA-N 1 0 418.488 2.725 40 0 HFABRO CCCN1CCN(C(=O)C[NH2+]C)C[C@@H](Cc2cccc(-c3ccccc3F)c2)C1=O ZINC000585183618 559070404 /nfs/dbraw/zinc/07/04/04/559070404.db2.gz OEICWIZOLMTRRE-HXUWFJFHSA-N 1 0 411.521 2.952 40 0 HFABRO Cn1cc(C[NH+]2CCC3(C[C@@H](CC(=O)N4CCOCC4)c4ccccc43)CC2)cn1 ZINC000096052802 559092389 /nfs/dbraw/zinc/09/23/89/559092389.db2.gz OSRATUZQRJHYEP-HXUWFJFHSA-N 1 0 408.546 2.690 40 0 HFABRO C[N@@H+]1CCCN(C(=O)c2ccn(-c3ccc4ccc(-c5cccnc5)cn43)n2)CC1 ZINC000096155343 559099560 /nfs/dbraw/zinc/09/95/60/559099560.db2.gz BHKPJWULYYAIAU-UHFFFAOYSA-N 1 0 400.486 2.965 40 0 HFABRO C[N@@H+]1CCCN(C(=O)c2ccn(-c3ccc4ccc(-c5ccncc5)cn43)n2)CC1 ZINC000096155367 559099574 /nfs/dbraw/zinc/09/95/74/559099574.db2.gz GGJQZKNTEMQMAY-UHFFFAOYSA-N 1 0 400.486 2.965 40 0 HFABRO COCCOc1cc(C[N@H+](C)C[C@@H](O)COc2cccc(OC)c2)ccc1OC ZINC000585262568 559111141 /nfs/dbraw/zinc/11/11/41/559111141.db2.gz UBDILVZZMXMEIZ-GOSISDBHSA-N 1 0 405.491 2.601 40 0 HFABRO O=C([C@H]1C[NH2+]CCO1)N1CCC(c2cccc(Nc3ncc(Cl)s3)n2)CC1 ZINC000585262902 559111556 /nfs/dbraw/zinc/11/15/56/559111556.db2.gz COQYQADBCGDCHM-CQSZACIVSA-N 1 0 407.927 2.630 40 0 HFABRO COc1ccccc1CNC(=O)C[N@@H+]1CCC[C@](O)(COc2ccc(C)cc2)CC1 ZINC000585274177 559118489 /nfs/dbraw/zinc/11/84/89/559118489.db2.gz TWOXYBJDTLNIRB-XMMPIXPASA-N 1 0 412.530 2.916 40 0 HFABRO CCN1C(=O)CCC[C@H]2[C@@H]1CC[N@@H+]2CC1(O)CCN(c2cccc(OC)c2)CC1 ZINC000585282965 559120401 /nfs/dbraw/zinc/12/04/01/559120401.db2.gz KUDDKPWGHOUNMH-SFTDATJTSA-N 1 0 401.551 2.502 40 0 HFABRO C[NH+]1CCC(CCNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)CC1 ZINC000110026977 559172144 /nfs/dbraw/zinc/17/21/44/559172144.db2.gz XWYBFLZUZPBDKI-UHFFFAOYSA-N 1 0 401.532 2.949 40 0 HFABRO C[N@@H+](Cc1cccnc1)C[C@@H]1CCC2(CN(C(=O)[C@@H]3Cc4ccccc4O3)C2)OC1 ZINC000575403347 560546828 /nfs/dbraw/zinc/54/68/28/560546828.db2.gz IJDBNMKEDOCCEK-UGKGYDQZSA-N 1 0 407.514 2.525 40 0 HFABRO CCCCNC(=S)N(CCC[NH+](C)C)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000004162000 560602164 /nfs/dbraw/zinc/60/21/64/560602164.db2.gz SMHUDGFZJQINPF-UHFFFAOYSA-N 1 0 404.580 2.965 40 0 HFABRO O=C(NCCC[NH+]1CCCCC1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000007923169 560752431 /nfs/dbraw/zinc/75/24/31/560752431.db2.gz BGBXYSLAXNVNGU-UHFFFAOYSA-N 1 0 413.971 2.730 40 0 HFABRO CC[NH+]1CCN([C@H](c2nnnn2C2CCCCC2)c2ccc(OC)c(OC)c2)CC1 ZINC000019527982 560874708 /nfs/dbraw/zinc/87/47/08/560874708.db2.gz RJIKWRFCBFVRMO-NRFANRHFSA-N 1 0 414.554 2.922 40 0 HFABRO CC[NH+]1CCN([C@@H](c2nnnn2C2CCCC2)c2cc3cc(C)ccc3[nH]c2=O)CC1 ZINC000019527933 560874732 /nfs/dbraw/zinc/87/47/32/560874732.db2.gz UWVHRMUCWCGYDP-OAQYLSRUSA-N 1 0 421.549 2.665 40 0 HFABRO CC[C@@H](C(=O)NC1CC[NH+](C)CC1)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000220698079 568508485 /nfs/dbraw/zinc/50/84/85/568508485.db2.gz HNLMRAIRJLFHAR-INIZCTEOSA-N 1 0 422.378 2.748 40 0 HFABRO CN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1[C@H]1CCCC[N@@H+]12 ZINC000033821721 568521521 /nfs/dbraw/zinc/52/15/21/568521521.db2.gz INAWKYYRGFLTDR-MTXNFPGFSA-N 1 0 401.466 2.532 40 0 HFABRO Cc1cccc(C)c1N(Cc1ccc(C(=O)NCCC[NH+](C)C)cc1)S(C)(=O)=O ZINC000223307166 568544747 /nfs/dbraw/zinc/54/47/47/568544747.db2.gz HSLHRXPUDGZMGJ-UHFFFAOYSA-N 1 0 417.575 2.951 40 0 HFABRO CN(c1ccc(Cl)c(C(=O)NC2CC[NH+](C)CC2)c1)S(=O)(=O)c1ccccc1 ZINC000224337304 568578277 /nfs/dbraw/zinc/57/82/77/568578277.db2.gz WYOIOTDWCWOFFS-UHFFFAOYSA-N 1 0 421.950 2.989 40 0 HFABRO Cc1c(Cl)cccc1N(CCCC(=O)NCCC[NH+]1CCCC1)S(C)(=O)=O ZINC000224397040 568580224 /nfs/dbraw/zinc/58/02/24/568580224.db2.gz MJMBNIIWXAJYHD-UHFFFAOYSA-N 1 0 415.987 2.797 40 0 HFABRO COC(=O)c1ccc(CS(=O)(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000224621382 568588580 /nfs/dbraw/zinc/58/85/80/568588580.db2.gz ZBHLNPZPIUSZOB-UHFFFAOYSA-N 1 0 402.516 2.689 40 0 HFABRO CS(=O)(=O)N(CC(=O)NCc1ccccc1C[NH+]1CCCC1)c1ccccc1F ZINC000224765794 568595932 /nfs/dbraw/zinc/59/59/32/568595932.db2.gz WBHQPDBSAHTODR-UHFFFAOYSA-N 1 0 419.522 2.504 40 0 HFABRO CCC(=O)N1CCc2cc(S(=O)(=O)NCCC[N@H+]3CCCC[C@H]3CC)ccc21 ZINC000260770436 568738335 /nfs/dbraw/zinc/73/83/35/568738335.db2.gz SOCOHUNUTLZQGM-GOSISDBHSA-N 1 0 407.580 2.919 40 0 HFABRO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCC[N@H+]3CCC[C@H](C)C3)C2)cc1 ZINC000260908010 568743989 /nfs/dbraw/zinc/74/39/89/568743989.db2.gz WDVNESVKTCJJQQ-PMACEKPBSA-N 1 0 421.607 2.634 40 0 HFABRO CN1CC=CC[C@@]2(CCCN(C(=O)C[NH+]3CCC(Cc4ccccc4)CC3)C2)C1=O ZINC000257214188 568780275 /nfs/dbraw/zinc/78/02/75/568780275.db2.gz CKYDNWMXAJNSMD-VWLOTQADSA-N 1 0 409.574 2.968 40 0 HFABRO CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@H]1CCCN(C(=O)C[NH+]2CCCCC2)C1 ZINC000257240387 568787755 /nfs/dbraw/zinc/78/77/55/568787755.db2.gz HTEVZNCJYQZSKP-FQEVSTJZSA-N 1 0 423.561 2.874 40 0 HFABRO CCc1nccn1CC(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCCC2)CC1 ZINC000257255475 568791734 /nfs/dbraw/zinc/79/17/34/568791734.db2.gz KHPXTIMMCQPISC-HWBMXIPRSA-N 1 0 424.589 2.899 40 0 HFABRO CCNc1nc(C)c(C(=O)N2CCC[C@@](O)(C[NH+]3CCC(F)(F)CC3)CC2)s1 ZINC000257268125 568795228 /nfs/dbraw/zinc/79/52/28/568795228.db2.gz MKIRLAHVBOZZHO-SFHVURJKSA-N 1 0 416.538 2.972 40 0 HFABRO COCCN1C(=O)Cc2c1nc([C@@]1(C)CCC[N@H+](Cc3scnc3C)C1)nc2C ZINC000257289029 568801195 /nfs/dbraw/zinc/80/11/95/568801195.db2.gz PWRKIVKWQQAKFP-NRFANRHFSA-N 1 0 415.563 2.639 40 0 HFABRO C[N@H+]1[C@@H]2CCCC[C@@H]3N(C(=O)CN4CCOCC4)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257295175 568803036 /nfs/dbraw/zinc/80/30/36/568803036.db2.gz QXGORWRCFOAXMU-LYVDORBWSA-N 1 0 411.590 2.794 40 0 HFABRO CCc1[nH]nc(C(=O)N2CCC[C@](O)(C[N@H+](C)Cc3ccc(OC)cc3)CC2)c1C ZINC000257299700 568804452 /nfs/dbraw/zinc/80/44/52/568804452.db2.gz RRCRPHNRAAWOCR-HSZRJFAPSA-N 1 0 414.550 2.778 40 0 HFABRO Cc1cc(N2CCC(O)(CN(C)C(=O)c3ccc(C[NH3+])cc3)CC2)c2cnccc2n1 ZINC000257307465 568806608 /nfs/dbraw/zinc/80/66/08/568806608.db2.gz SYSPBBCNFSZCBC-UHFFFAOYSA-N 1 0 419.529 2.500 40 0 HFABRO Cc1ccc(=O)n(CC(=O)N2[C@H](Cc3ccccc3)[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)[N@@H+]3C)n1 ZINC000257313879 568808372 /nfs/dbraw/zinc/80/83/72/568808372.db2.gz UUMGURPUZMDOPH-HNTODFAGSA-N 1 0 420.557 2.637 40 0 HFABRO CC[N@H+](Cc1ccncc1)C[C@]1(O)CCCN(C(=O)c2ccc3[nH]cnc3c2)CC1 ZINC000257335164 568814662 /nfs/dbraw/zinc/81/46/62/568814662.db2.gz YIXYPEBIDRAMGL-QHCPKHFHSA-N 1 0 407.518 2.837 40 0 HFABRO N[C@]1(C[NH3+])[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218239675 568836736 /nfs/dbraw/zinc/83/67/36/568836736.db2.gz YQGKHYDGFHBWRW-HRCADAONSA-N 1 0 415.740 2.698 40 0 HFABRO CC[C@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccccc3Cl)C2=O)[C@@H]2C(=O)N(C)C(=O)[C@@H]12 ZINC000015319130 568876901 /nfs/dbraw/zinc/87/69/01/568876901.db2.gz WCEBBFBGKAXAJX-LDQAXMLRSA-N 1 0 423.900 2.695 40 0 HFABRO COc1ccc(CN2CCO[C@]3(C[N@@H+](C4CCC4)C[C@@H]3c3cccnc3)C2=O)cc1 ZINC000306125316 568888186 /nfs/dbraw/zinc/88/81/86/568888186.db2.gz CMHACGRMSYKICE-VWNXMTODSA-N 1 0 407.514 2.840 40 0 HFABRO COc1ccc(C[N@@H+]2C[C@@H]3Cn4c(nnc4C(=O)Nc4ccccc4)C[C@@H]3C2)cc1 ZINC000306126391 568889024 /nfs/dbraw/zinc/88/90/24/568889024.db2.gz DULWYHFBIJJQIS-QZTJIDSGSA-N 1 0 403.486 2.843 40 0 HFABRO O=C(c1ccccc1N1CCOCC1)N1CCO[C@]2(CCCC[C@@H]2[NH+]2CCCC2)C1 ZINC000306126906 568889795 /nfs/dbraw/zinc/88/97/95/568889795.db2.gz FINAHRUMVSCAPE-LADGPHEKSA-N 1 0 413.562 2.773 40 0 HFABRO COc1ccccc1C[N@H+]1C[C@@H]2Cc3nnc(C(=O)Nc4ccccc4)n3C[C@H]2C1 ZINC000306128553 568891345 /nfs/dbraw/zinc/89/13/45/568891345.db2.gz HDUAANRXOSDPSF-ZWKOTPCHSA-N 1 0 403.486 2.843 40 0 HFABRO CN1CC2(CC[NH+](Cc3ccccc3F)CC2)n2cncc2[C@H]1C(=O)NC1CCC1 ZINC000306129049 568891707 /nfs/dbraw/zinc/89/17/07/568891707.db2.gz HSOSNNARVGWSMU-NRFANRHFSA-N 1 0 411.525 2.669 40 0 HFABRO O=C(NCc1ccccc1)C1CCN(C2=NO[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000306129861 568892318 /nfs/dbraw/zinc/89/23/18/568892318.db2.gz IOZMRFPRZNGVLE-PKTZIBPZSA-N 1 0 418.541 2.859 40 0 HFABRO Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@@H]2C[N@@H+](Cc4cc(C)cc(C)c4)C[C@H]32)cc1 ZINC000306132657 568894854 /nfs/dbraw/zinc/89/48/54/568894854.db2.gz LONFCZPWDJXBPI-VXKWHMMOSA-N 1 0 416.525 2.608 40 0 HFABRO O=c1c(=O)n(CC2CCCCC2)nc2n1C[C@H]1CC[N@@H+](Cc3cccc(F)c3)C[C@@H]21 ZINC000306133115 568895429 /nfs/dbraw/zinc/89/54/29/568895429.db2.gz MCLXMTMHDRCKGG-UYAOXDASSA-N 1 0 412.509 2.744 40 0 HFABRO Cc1cccc(C[N@H+]2C[C@@H]3Cc4nnc(C(=O)NCc5ccccc5)n4C[C@@H]3C2)c1 ZINC000306136188 568897919 /nfs/dbraw/zinc/89/79/19/568897919.db2.gz PLVQYDDXDFIEAJ-SFTDATJTSA-N 1 0 401.514 2.821 40 0 HFABRO Cc1ccc(C(=O)N2CCc3nc4n(c(=O)c3C2)CC[C@]42CC[N@H+](CC3CC3)C2)s1 ZINC000306137594 568899549 /nfs/dbraw/zinc/89/95/49/568899549.db2.gz RASWIGDUGUQCRL-QHCPKHFHSA-N 1 0 424.570 2.569 40 0 HFABRO O=C1N(Cc2cccnc2)CCO[C@@]12C[N@H+](Cc1cccs1)C[C@@H]2c1cccnc1 ZINC000306138235 568900068 /nfs/dbraw/zinc/90/00/68/568900068.db2.gz RSXRIJIMUMDSEM-FYYLOGMGSA-N 1 0 420.538 2.935 40 0 HFABRO CC(C)NC(=O)N1C[C@@H]2CC[C@@H](CNC(=O)c3cccnc3)[N@@H+]2Cc2ccccc21 ZINC000306138192 568900086 /nfs/dbraw/zinc/90/00/86/568900086.db2.gz RSCSVHFQFOKRSC-PMACEKPBSA-N 1 0 407.518 2.783 40 0 HFABRO Cc1ccc(C[N@@H+]2C[C@H]3Cn4cc(C(=O)NC5CCCCC5)c(=O)nc4[C@@H]3C2)s1 ZINC000306139695 568901517 /nfs/dbraw/zinc/90/15/17/568901517.db2.gz TXWHKQJVHSEQFR-MAUKXSAKSA-N 1 0 412.559 2.905 40 0 HFABRO COc1ccc(C[N@H+]2C[C@@H]3Cc4nnc(C(=O)NCc5ccccc5)n4C[C@@H]3C2)cc1 ZINC000306140360 568902109 /nfs/dbraw/zinc/90/21/09/568902109.db2.gz UREIJZAJWDPYET-PMACEKPBSA-N 1 0 417.513 2.521 40 0 HFABRO CC[C@H](C)NC(=O)c1nnc2n1CC1(CC[NH+](Cc3ccsc3)CC1)COC2 ZINC000306142528 568904032 /nfs/dbraw/zinc/90/40/32/568904032.db2.gz XCENQZNZHIHDIH-HNNXBMFYSA-N 1 0 403.552 2.681 40 0 HFABRO O=C1N(Cc2ccsc2)CCO[C@]12C[N@H+](Cc1ccccn1)C[C@H]2c1cccnc1 ZINC000306144792 568906335 /nfs/dbraw/zinc/90/63/35/568906335.db2.gz ZONKHPUOQBGCPF-GMAHTHKFSA-N 1 0 420.538 2.935 40 0 HFABRO CCOC[C@@]1(C[NH3+])[C@@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218181617 568927320 /nfs/dbraw/zinc/92/73/20/568927320.db2.gz WITKHYUWSAJNMU-UFYCRDLUSA-N 1 0 423.918 2.990 40 0 HFABRO COCCN1CC2(CC[NH+](CCC(C)C)CC2)COc2ccccc2S1(=O)=O ZINC000063528229 568936774 /nfs/dbraw/zinc/93/67/74/568936774.db2.gz ONLYNIIKXQZZTH-UHFFFAOYSA-N 1 0 410.580 2.844 40 0 HFABRO C[NH+](C)CCNc1nc(NCc2ccccc2Br)cc(C(F)(F)F)n1 ZINC000329069655 568975678 /nfs/dbraw/zinc/97/56/78/568975678.db2.gz YYUVXGSCYHBACC-UHFFFAOYSA-N 1 0 418.261 2.687 40 0 HFABRO CC(C)(C)OC(=O)N[C@@]1(C[NH3+])[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000252515280 569283910 /nfs/dbraw/zinc/28/39/10/569283910.db2.gz IDDWGOGVDCIUJZ-DBXWQHBBSA-N 1 0 420.506 2.988 40 0 HFABRO CCOc1ccc(CC(=O)N2CCC[C@@H](c3nc(C[NH2+]C)cc(N(C)C)n3)C2)cc1 ZINC000019709561 569348113 /nfs/dbraw/zinc/34/81/13/569348113.db2.gz FIDMZFGDEGKQES-GOSISDBHSA-N 1 0 411.550 2.609 40 0 HFABRO COc1ccc(Cn2nnnc2[C@H](c2ccc(C)cc2)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000022575927 569349793 /nfs/dbraw/zinc/34/97/93/569349793.db2.gz YDHNHBFVZHYVEZ-GMAHTHKFSA-N 1 0 418.545 2.908 40 0 HFABRO CCOC(=O)[C@@]1(C[NH3+])[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(F)c1 ZINC000252516694 569388036 /nfs/dbraw/zinc/38/80/36/569388036.db2.gz VYIBRQWTSZPVGD-ZHALLVOQSA-N 1 0 411.882 2.927 40 0 HFABRO Cn1cc(-c2nc3cc(NC(=O)[C@@H]([NH3+])C4CCCCC4)cc4c3-c2c[nH][nH]c4=O)cn1 ZINC000137899389 571313307 /nfs/dbraw/zinc/31/33/07/571313307.db2.gz YFNWWNRZJGMDBR-IBGZPJMESA-N 1 0 419.489 2.603 40 0 in-man HFABRO CC1(C)C[C@H]([NH2+]C2CCOCC2)[C@@]2(CCC(=O)N3CCOCC3)CC[C@](C)(O)C[C@@H]12 ZINC000012531487 291217640 /nfs/dbraw/zinc/21/76/40/291217640.db2.gz ZSFZSZSHXYQECV-TZYAJKAJSA-N 1 0 422.610 2.730 40 0 biogenic,in-vitro HFABRO O=C(Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2C[N@H+](C2CCOCC2)C1)NC1CCCCC1 ZINC000004260369 291228907 /nfs/dbraw/zinc/22/89/07/291228907.db2.gz LNFMGMNZALECIJ-DLBZAZTESA-N 1 0 414.550 2.901 40 0 biogenic,in-vitro HFABRO CCN(c1ccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1)S(C)(=O)=O ZINC000044872373 521483325 /nfs/dbraw/zinc/48/33/25/521483325.db2.gz UBIQQQHBJWWRDL-UHFFFAOYSA-N 1 0 415.559 2.998 40 0 HFABRO CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCSC)[NH2+][C@@]21C(=O)Nc2c1cccc2Cl ZINC000035375499 557531760 /nfs/dbraw/zinc/53/17/60/557531760.db2.gz XMNCZZGJRFMWAK-DVFSBPTISA-N 1 0 421.950 2.612 40 0 HFABRO C[C@@]1(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CC(=O)N2C=CC=CC2=N1 ZINC000035316648 557691420 /nfs/dbraw/zinc/69/14/20/557691420.db2.gz WZDLVXHQCKKFJI-QHCPKHFHSA-N 1 0 408.502 2.963 40 0 HFABRO Cc1ccc(C(=O)NCCC[NH+]2CCCCC2)cc1S(=O)(=O)N1CCCCC1 ZINC000007923178 557767690 /nfs/dbraw/zinc/76/76/90/557767690.db2.gz ILKGNEQZRLLPHO-UHFFFAOYSA-N 1 0 407.580 2.775 40 0 HFABRO CC1CC[NH+](CC(=O)N2CCC[C@H](N(C)S(=O)(=O)Cc3ccccc3)CC2)CC1 ZINC000019749774 558269473 /nfs/dbraw/zinc/26/94/73/558269473.db2.gz KJLJUVCDSPXYEW-NRFANRHFSA-N 1 0 421.607 2.561 40 0 HFABRO Cn1nccc1C[NH+]1CCC(Cc2ncncc2C(=O)NCc2ccccc2F)CC1 ZINC000019757006 558274754 /nfs/dbraw/zinc/27/47/54/558274754.db2.gz NMNLEXLQCTXVSY-UHFFFAOYSA-N 1 0 422.508 2.734 40 0 HFABRO Cn1c2ccc(S(=O)(=O)NC3(C[NH+]4CCCC4)CCCCC3)cc2sc1=O ZINC000012239271 558359858 /nfs/dbraw/zinc/35/98/58/558359858.db2.gz HLRJYPFXAGGDKG-UHFFFAOYSA-N 1 0 409.577 2.677 40 0 HFABRO O[C@@H](C[NH+]1CCC2(CC1)C[C@H](O)c1cc(F)ccc1O2)c1ccc2c(c1)OCCO2 ZINC000012293400 558366555 /nfs/dbraw/zinc/36/65/55/558366555.db2.gz INNDAAZLJNCFMP-OALUTQOASA-N 1 0 415.461 2.981 40 0 HFABRO CC[NH+](CC)Cc1ccc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc1 ZINC000020459240 558371704 /nfs/dbraw/zinc/37/17/04/558371704.db2.gz NFKSZKJZNZLEEG-FQEVSTJZSA-N 1 0 417.531 2.694 40 0 HFABRO CCOC(=O)C1=C(O)NC(N2CCN(c3ccccc3)CC2)=[NH+][C@@H]1c1ccc(C)cc1 ZINC000020637185 558396426 /nfs/dbraw/zinc/39/64/26/558396426.db2.gz IZJSJUGWVYAWQP-NHCUHLMSSA-N 1 0 420.513 2.523 40 0 HFABRO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@H]1c1cccc(OCC)c1 ZINC000020674716 558399305 /nfs/dbraw/zinc/39/93/05/558399305.db2.gz KPZYNWBEXYWMPX-SFTDATJTSA-N 1 0 421.497 2.850 40 0 HFABRO Cc1ccc(N(CC(=O)NCC[NH+](C)C)S(=O)(=O)c2ccccc2)cc1Cl ZINC000013672286 558562996 /nfs/dbraw/zinc/56/29/96/558562996.db2.gz LRDCEKWQRDDCHW-UHFFFAOYSA-N 1 0 409.939 2.522 40 0 HFABRO COC(=O)c1cccc(S(=O)(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000024362299 558596122 /nfs/dbraw/zinc/59/61/22/558596122.db2.gz QDOUOSCQUDBYKC-UHFFFAOYSA-N 1 0 402.516 2.938 40 0 HFABRO COc1cccc(N2CC[NH+](C[C@H](O)c3ccc4c(c3)CCCN4C(C)=O)CC2)c1 ZINC000036741184 558801881 /nfs/dbraw/zinc/80/18/81/558801881.db2.gz RKMXCJZZJYFEFJ-DEOSSOPVSA-N 1 0 409.530 2.850 40 0 HFABRO Cc1ccc([C@H](C)C(=O)N[C@H](C)C(=O)N2Cc3ccccc3OC[C@@H]2C[NH+](C)C)cc1 ZINC000072394911 558809115 /nfs/dbraw/zinc/80/91/15/558809115.db2.gz OSWNHAWWXIFIKW-JQVVWYNYSA-N 1 0 423.557 2.955 40 0 HFABRO CC(=O)N1CCC[C@@H](c2cc(=O)[nH]c(C3CC[NH+](Cc4ccsc4)CC3)n2)C1 ZINC000019017009 558837138 /nfs/dbraw/zinc/83/71/38/558837138.db2.gz PBAIOVZLVVDJQI-GOSISDBHSA-N 1 0 400.548 2.937 40 0 HFABRO Cc1cnn(CCC(=O)NC2CC[NH+](Cc3cc(-c4ccccc4F)nn3C)CC2)c1 ZINC000019240018 558858631 /nfs/dbraw/zinc/85/86/31/558858631.db2.gz YDIWMAMPKJNLOS-UHFFFAOYSA-N 1 0 424.524 2.902 40 0 HFABRO O=C(C[N@@H+]1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000019292026 558864291 /nfs/dbraw/zinc/86/42/91/558864291.db2.gz HSZTUZCSQLSKLD-ZCNNSNEGSA-N 1 0 412.578 2.798 40 0 HFABRO O=c1[nH]c(-c2cnccn2)nc2c1CC[N@H+](Cc1ccccc1C(F)(F)F)CC2 ZINC000019349426 558875134 /nfs/dbraw/zinc/87/51/34/558875134.db2.gz RVHXDRVPEMOPNN-UHFFFAOYSA-N 1 0 401.392 2.847 40 0 HFABRO COc1cccc([C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H](C)C3)C[C@H]2c2csnn2)c1 ZINC000019496517 558895453 /nfs/dbraw/zinc/89/54/53/558895453.db2.gz NAZPZOUSOUPIMV-ZYSHUDEJSA-N 1 0 400.548 2.988 40 0 HFABRO CCN(CC)C(=O)C[N@@H+]1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(F)cc1)CN2C(=O)C1CC1 ZINC000019526229 558907686 /nfs/dbraw/zinc/90/76/86/558907686.db2.gz VFLUERMIGWTITC-NJDAHSKKSA-N 1 0 401.526 2.720 40 0 HFABRO CCOCc1cc(C[N@@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3CC2)ccc1OC ZINC000019531187 558911928 /nfs/dbraw/zinc/91/19/28/558911928.db2.gz SHFKDVLIXUJMPL-UHFFFAOYSA-N 1 0 420.513 2.978 40 0 HFABRO COc1cc(CN2C[C@@H]3C[C@@H](O)C[N@@H+]3C[C@@H]2Cc2ccccc2)cc(OC)c1OC ZINC000019549910 558914579 /nfs/dbraw/zinc/91/45/79/558914579.db2.gz WXDFIGXAAMIAFP-PCCBWWKXSA-N 1 0 412.530 2.575 40 0 HFABRO CCOC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@]12CCc1ccc(OC)cc1C(=O)N2 ZINC000072334418 558935619 /nfs/dbraw/zinc/93/56/19/558935619.db2.gz IUJFCZWZESZMIG-XUZZJYLKSA-N 1 0 408.498 2.805 40 0 HFABRO CN(C)S(=O)(=O)N1CCC(c2[nH+]c3ccc(F)cn3c2NC2CCCC2)CC1 ZINC000019583659 558938113 /nfs/dbraw/zinc/93/81/13/558938113.db2.gz HRLFTORHVMPSPB-UHFFFAOYSA-N 1 0 409.531 2.814 40 0 HFABRO O=S1(=O)N[C@H](C2CC[NH+](Cc3ccc4nccnc4c3)CC2)Nc2ccccc21 ZINC000072338941 558938461 /nfs/dbraw/zinc/93/84/61/558938461.db2.gz ZERUMEFPIUEQLP-OAQYLSRUSA-N 1 0 409.515 2.572 40 0 HFABRO Cc1nc([C@H]2CCCN2C(=O)C[NH+]2CCCC2)ncc1C(=O)Nc1ccc(F)cc1 ZINC000072345376 558941895 /nfs/dbraw/zinc/94/18/95/558941895.db2.gz AGKUZNJKQURROB-LJQANCHMSA-N 1 0 411.481 2.936 40 0 HFABRO COCCC(=O)N1CCC[C@H](c2nc3c(c(=O)[nH]2)C[N@H+](Cc2cccs2)CC3)C1 ZINC000019593141 558943993 /nfs/dbraw/zinc/94/39/93/558943993.db2.gz ORWUEPIGYHHRAL-HNNXBMFYSA-N 1 0 416.547 2.545 40 0 HFABRO CC(=O)N1CC[N@H+](Cc2ccc3ncccc3c2)C[C@H](Cc2cc(N(C)C)ncn2)C1 ZINC000072355195 558952599 /nfs/dbraw/zinc/95/25/99/558952599.db2.gz XXYUXOPNHPXPIW-FQEVSTJZSA-N 1 0 418.545 2.614 40 0 HFABRO O=C(C[N@H+]1CCC[C@H](c2nccnc2-c2cccc(Cl)c2)C1)N1CCOCC1 ZINC000072358536 558954062 /nfs/dbraw/zinc/95/40/62/558954062.db2.gz ASULAHHFWHPLOE-KRWDZBQOSA-N 1 0 400.910 2.835 40 0 HFABRO CCN(CC)S(=O)(=O)N1CCC[C@H](c2cc(Nc3cnccn3)cc(C)[nH+]2)C1 ZINC000072374907 558963023 /nfs/dbraw/zinc/96/30/23/558963023.db2.gz OHBFUBPODDRWHA-INIZCTEOSA-N 1 0 404.540 2.690 40 0 HFABRO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCC[NH+]3CCC(C)CC3)C2)cc1 ZINC000064805241 558965999 /nfs/dbraw/zinc/96/59/99/558965999.db2.gz ZTUFDQJAECRERX-HXUWFJFHSA-N 1 0 421.607 2.634 40 0 HFABRO Cc1nc([C@H]2CCCCN2C(=O)C[NH+](C)C)nc2c1CCCN2CCc1ccccn1 ZINC000019706848 558969086 /nfs/dbraw/zinc/96/90/86/558969086.db2.gz FCYYKCLVZCGLEY-OAQYLSRUSA-N 1 0 422.577 2.791 40 0 HFABRO CN(C)c1cc(CN(C)C(=O)c2cccc3ncccc32)nc(C2CC[NH2+]CC2)n1 ZINC000019710137 558971941 /nfs/dbraw/zinc/97/19/41/558971941.db2.gz NVSFKAYFOGFRNN-UHFFFAOYSA-N 1 0 404.518 2.830 40 0 HFABRO Cc1nc(C)c(C(=O)N2CCC[C@@H]2CN2Cc3ccccc3OC[C@@H]2C[NH+](C)C)o1 ZINC000072394959 558973760 /nfs/dbraw/zinc/97/37/60/558973760.db2.gz KEOUUBLMTHJZTJ-UXHICEINSA-N 1 0 412.534 2.721 40 0 HFABRO CNc1nc(C2CC[NH+](C)CC2)nc2c1CN(C(=O)c1sc(C)nc1C)CC2 ZINC000019711380 558973785 /nfs/dbraw/zinc/97/37/85/558973785.db2.gz UEKUBRFGHUJONK-UHFFFAOYSA-N 1 0 400.552 2.599 40 0 HFABRO CCn1ncc(C[N@@H+]2C[C@H](NC(C)=O)[C@@H](c3cn(C)c4ccc(OC)cc34)C2)c1C ZINC000072395544 558974583 /nfs/dbraw/zinc/97/45/83/558974583.db2.gz YVRZAEOJVOFQDS-YADHBBJMSA-N 1 0 409.534 2.816 40 0 HFABRO Cc1cc(-c2cc3nc(C)c(C)c(N4CCC[C@@H](C[NH+]5CCOCC5)C4)n3n2)no1 ZINC000072396864 558975598 /nfs/dbraw/zinc/97/55/98/558975598.db2.gz NDHZPAPFHOOGIU-SFHVURJKSA-N 1 0 410.522 2.858 40 0 HFABRO Cc1ccc(C[NH+]2CCC(c3nc4c(c(=O)[nH]3)CN(C(=O)C3CC3)CC4)CC2)s1 ZINC000072399001 558976661 /nfs/dbraw/zinc/97/66/61/558976661.db2.gz JYEUFNFICXEBRR-UHFFFAOYSA-N 1 0 412.559 2.814 40 0 HFABRO COc1cc([C@@H]2c3cc4c(cc3O[C@H]([NH2+]CCO)[C@@H]2C)OCO4)cc(OC)c1OC ZINC000073410549 558986321 /nfs/dbraw/zinc/98/63/21/558986321.db2.gz CHLPTPUGQIRMDQ-PECPSLTQSA-N 1 0 417.458 2.510 40 0 HFABRO CS(=O)(=O)CCN1C(=O)CC[C@@]12CCC[N@H+](Cc1ccc3c(c1)CCC3)CC2 ZINC000585100580 559024172 /nfs/dbraw/zinc/02/41/72/559024172.db2.gz OONXNDGRTWNKIA-JOCHJYFZSA-N 1 0 404.576 2.567 40 0 HFABRO O=C(NCC(F)(F)F)[C@@H]1C[N@H+](Cc2ccc(-n3ccnc3)cc2)CC12CCOCC2 ZINC000585101849 559024921 /nfs/dbraw/zinc/02/49/21/559024921.db2.gz GLCLCYWNJOBNPM-SFHVURJKSA-N 1 0 422.451 2.779 40 0 HFABRO O=C(NCc1ccccc1)N1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000585106278 559028705 /nfs/dbraw/zinc/02/87/05/559028705.db2.gz MIGYLOCMFPFVCB-YADHBBJMSA-N 1 0 418.541 2.609 40 0 HFABRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(C(=O)c3ccncc3)CC2)c2ccccc21 ZINC000096052889 559092629 /nfs/dbraw/zinc/09/26/29/559092629.db2.gz XDCNBFQIYGPJQT-HXUWFJFHSA-N 1 0 420.557 2.811 40 0 HFABRO CC(C)C[N@@H+]1CC2(CCN(C(=O)c3ccc4ccccc4n3)CC2)[C@@]2(CCNC2=O)C1 ZINC000096144160 559096478 /nfs/dbraw/zinc/09/64/78/559096478.db2.gz YGLHLAGGQXSBCV-VWLOTQADSA-N 1 0 420.557 2.935 40 0 HFABRO O=C(NCc1cccnc1)[C@@H]1Cn2ccnc2C2(CC[NH+](Cc3ccsc3)CC2)O1 ZINC000096243821 559104933 /nfs/dbraw/zinc/10/49/33/559104933.db2.gz WTFWLZIMNGPQNC-IBGZPJMESA-N 1 0 423.542 2.546 40 0 HFABRO O=C(c1ccc(Cl)cc1)N1CC[C@@H](O)[C@](O)(C[NH2+]CCc2ccccc2Cl)C1 ZINC000585284395 559121126 /nfs/dbraw/zinc/12/11/26/559121126.db2.gz FKDVERQBIPTGBB-CTNGQTDRSA-N 1 0 423.340 2.764 40 0 HFABRO O=C(CCc1ccccc1)N1C[C@@H](O)[C@](O)(C[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000585290412 559122951 /nfs/dbraw/zinc/12/29/51/559122951.db2.gz QZWRVAGEFLFXFK-RSXGOPAZSA-N 1 0 422.569 2.508 40 0 HFABRO CCN1CC[C@@]2(CN(c3ncccn3)CC23CC[NH+](Cc2ccsc2)CC3)C1=O ZINC000097952892 559125050 /nfs/dbraw/zinc/12/50/50/559125050.db2.gz ASBCKKULNFPWLK-JOCHJYFZSA-N 1 0 411.575 2.879 40 0 HFABRO Cc1cc(C)nc(Nc2cc([C@H]3CCCN(C(=O)/C=C/C[NH+](C)C)C3)nc(C)n2)n1 ZINC000585293111 559125602 /nfs/dbraw/zinc/12/56/02/559125602.db2.gz XAJPIHYBYJALRI-KOEDOTQGSA-N 1 0 409.538 2.759 40 0 HFABRO CCOCC[N@@H+]1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(CCC(C)C)[C@H]2CC1 ZINC000107184632 559164802 /nfs/dbraw/zinc/16/48/02/559164802.db2.gz WDYWCGRRWZFVMM-OALUTQOASA-N 1 0 410.580 2.985 40 0 HFABRO O=C(CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000139886520 559289153 /nfs/dbraw/zinc/28/91/53/559289153.db2.gz BNWJBASTAYXIPW-OYRHEFFESA-N 1 0 409.530 2.630 40 0 HFABRO CC[NH+](CC)CCCNC(=S)N(CCCO)Cc1cc2cccc(C)c2[nH]c1=O ZINC000004131819 560599702 /nfs/dbraw/zinc/59/97/02/560599702.db2.gz GQGQIOFXRDBYOO-UHFFFAOYSA-N 1 0 418.607 2.627 40 0 HFABRO CCCCNC(=S)N(CC[NH+](C)C)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000004133603 560600669 /nfs/dbraw/zinc/60/06/69/560600669.db2.gz VUJTYRPXKHXFBN-UHFFFAOYSA-N 1 0 404.580 2.965 40 0 HFABRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)[nH]c(=O)n2Cc1ccc(OC)cc1 ZINC000005001842 560620244 /nfs/dbraw/zinc/62/02/44/560620244.db2.gz FEGCIHWFMHLMOZ-SFHVURJKSA-N 1 0 408.502 2.601 40 0 HFABRO COc1ncc([C@]2(O)CCC[C@H]3C[N@H+](Cc4cc(F)cc(F)c4)C[C@@H]32)c(OC)n1 ZINC000019594820 560875325 /nfs/dbraw/zinc/87/53/25/560875325.db2.gz PBTAOUAWCZBFLG-DHUIEDIVSA-N 1 0 405.445 2.892 40 0 HFABRO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(C)cc(C)c2[nH]c1=O)N1CCC(O)CC1 ZINC000057589793 568492892 /nfs/dbraw/zinc/49/28/92/568492892.db2.gz DVEVCSWYLIBTEE-HXUWFJFHSA-N 1 0 424.549 2.823 40 0 HFABRO Cc1cc(C)cc(N(CCCC(=O)NCCC[NH+]2CCCCC2)S(C)(=O)=O)c1 ZINC000222542126 568517767 /nfs/dbraw/zinc/51/77/67/568517767.db2.gz QGOXUAZASUTXJN-UHFFFAOYSA-N 1 0 409.596 2.842 40 0 HFABRO COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cc[nH+]cc1 ZINC000223680350 568555940 /nfs/dbraw/zinc/55/59/40/568555940.db2.gz ZBSBRMHKPKLPKJ-VQTJNVASSA-N 1 0 407.499 2.803 40 0 HFABRO Cc1cc(C(=O)NCC[NH+](C)C)ccc1N(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224219049 568574133 /nfs/dbraw/zinc/57/41/33/568574133.db2.gz JDGRPYJJXWUTAB-UHFFFAOYSA-N 1 0 409.939 2.765 40 0 HFABRO Cc1c(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cccc1N(C)S(C)(=O)=O ZINC000224513968 568583155 /nfs/dbraw/zinc/58/31/55/568583155.db2.gz ZAKDZIJCUMDEPS-UHFFFAOYSA-N 1 0 415.559 2.917 40 0 HFABRO Cc1c(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cccc1N(C)S(C)(=O)=O ZINC000224634696 568589808 /nfs/dbraw/zinc/58/98/08/568589808.db2.gz JITXGNVKTFRURB-UHFFFAOYSA-N 1 0 415.559 2.917 40 0 HFABRO O=S(=O)(NCc1cccc(C[NH+]2CCCCC2)c1)c1ccc2c(c1)OCCO2 ZINC000224664339 568591390 /nfs/dbraw/zinc/59/13/90/568591390.db2.gz CJYSABRCYARBES-UHFFFAOYSA-N 1 0 402.516 2.922 40 0 HFABRO CN(c1ccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1)S(C)(=O)=O ZINC000224771085 568596073 /nfs/dbraw/zinc/59/60/73/568596073.db2.gz PVPPGDKGPSBYEF-UHFFFAOYSA-N 1 0 401.532 2.608 40 0 HFABRO CN([C@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)c1ccccc1)S(C)(=O)=O ZINC000260902809 568743646 /nfs/dbraw/zinc/74/36/46/568743646.db2.gz VXKAFPXJEWBNSQ-NRFANRHFSA-N 1 0 415.559 2.531 40 0 HFABRO CCn1cc(NC(=O)C[N@@H+]2[C@H](Cc3ccccc3)C[C@H]3NC(=O)CCCC[C@@H]32)c(C)n1 ZINC000257206022 568777901 /nfs/dbraw/zinc/77/79/01/568777901.db2.gz BBNLSMSRTPIJCK-SJBKTWHCSA-N 1 0 423.561 2.894 40 0 HFABRO COC[C@@H](C)NC(=O)CN1CCC(c2cc(Nc3ccc(F)cn3)cc(C)[nH+]2)CC1 ZINC000257213064 568779997 /nfs/dbraw/zinc/77/99/97/568779997.db2.gz CGBDCSXWZUTLDU-MRXNPFEDSA-N 1 0 415.513 2.998 40 0 HFABRO O=C(c1n[nH]c2c1CCCC2)N1CCC[C@](O)(C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000257214988 568780508 /nfs/dbraw/zinc/78/05/08/568780508.db2.gz COEXDCLYQCYQCG-XMMPIXPASA-N 1 0 408.546 2.704 40 0 HFABRO CNC(=O)c1sc2nc([C@@H]3CCCCN3C(=O)C[NH+]3CCCCC3)ccc2c1N ZINC000257219556 568781812 /nfs/dbraw/zinc/78/18/12/568781812.db2.gz DHFVWIYSRWTZJH-INIZCTEOSA-N 1 0 415.563 2.778 40 0 HFABRO CCCN1CCN(C(=O)C(C)(C)[NH3+])C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257231591 568785379 /nfs/dbraw/zinc/78/53/79/568785379.db2.gz GHKFVWVHZINEHF-FQEVSTJZSA-N 1 0 408.546 2.725 40 0 HFABRO O=C(CN1[C@H](c2ccccc2)C[C@H]2[NH2+]CCCC[C@@H]21)N1CC(=O)Nc2ccccc21 ZINC000257234172 568785963 /nfs/dbraw/zinc/78/59/63/568785963.db2.gz GSLRQMCAPHDJBC-HJNYFJLDSA-N 1 0 404.514 2.929 40 0 HFABRO CC1(C)Cc2cc(C[N@@H+]3CCC[C@@H](c4n[nH]cc4C(=O)N4CCOCC4)C3)ccc2O1 ZINC000257243247 568788367 /nfs/dbraw/zinc/78/83/67/568788367.db2.gz IGBCHTKVGWVEMZ-GOSISDBHSA-N 1 0 424.545 2.975 40 0 HFABRO C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC(c2cccc(Nc3ccccn3)n2)CC1 ZINC000257244653 568788638 /nfs/dbraw/zinc/78/86/38/568788638.db2.gz IMFZKHFGRBEHNG-SFHVURJKSA-N 1 0 409.534 2.895 40 0 HFABRO C[NH+](C)CCN(CCO)C(=O)c1ccc2c(c1)C[C@](C)(Cc1ccccc1F)O2 ZINC000257269356 568795426 /nfs/dbraw/zinc/79/54/26/568795426.db2.gz MPQDOBBZMZGIFK-QHCPKHFHSA-N 1 0 400.494 2.758 40 0 HFABRO CCCN1CCN(C(=O)CC[NH3+])C[C@@H](Cc2ccccc2-c2ccccc2OC)C1=O ZINC000257285928 568800297 /nfs/dbraw/zinc/80/02/97/568800297.db2.gz PJLLMVRTFAIYGD-HXUWFJFHSA-N 1 0 423.557 2.951 40 0 HFABRO Cc1ccc(=O)n(CC(=O)N2[C@@H]3CCC[C@@H]4[N@H+](C)[C@@H](C[C@@]43C)[C@@H]2Cc2ccccc2)n1 ZINC000257313880 568808264 /nfs/dbraw/zinc/80/82/64/568808264.db2.gz UUMGURPUZMDOPH-ZWCDFLAXSA-N 1 0 420.557 2.637 40 0 HFABRO O=C(c1n[nH]c2ccccc21)N1CCC[C@](O)(C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000257322665 568811172 /nfs/dbraw/zinc/81/11/72/568811172.db2.gz WGXSGXPDRNWMCT-XMMPIXPASA-N 1 0 404.514 2.978 40 0 HFABRO N[C@@]1(C[NH3+])[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218239754 568836750 /nfs/dbraw/zinc/83/67/50/568836750.db2.gz YQGKHYDGFHBWRW-JYJNAYRXSA-N 1 0 415.740 2.698 40 0 HFABRO CNc1cc(CN(C)C(=O)CN(C)Cc2ccc(F)cc2)nc([C@H]2CCCC[NH2+]2)n1 ZINC000019709946 568838628 /nfs/dbraw/zinc/83/86/28/568838628.db2.gz QROSIUKPJARJOC-LJQANCHMSA-N 1 0 414.529 2.562 40 0 HFABRO O=C(NCc1ccccc1)C1CCN(C2=NO[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000306129859 568892326 /nfs/dbraw/zinc/89/23/26/568892326.db2.gz IOZMRFPRZNGVLE-DHIUTWEWSA-N 1 0 418.541 2.859 40 0 HFABRO Cc1ncsc1C[NH+]1CCC2(CCc3nnc(C(=O)NC4CCCC4)n3C2)CC1 ZINC000306132321 568894621 /nfs/dbraw/zinc/89/46/21/568894621.db2.gz LFCRPLGYTPJUDL-UHFFFAOYSA-N 1 0 414.579 2.944 40 0 HFABRO CC(C)n1ccc(-c2nc(C(=O)NCCCN3CC[NH+](C)CC3)c3ccccn32)c1 ZINC000306134908 568896863 /nfs/dbraw/zinc/89/68/63/568896863.db2.gz OBHQIEIBHWJTRN-UHFFFAOYSA-N 1 0 408.550 2.751 40 0 HFABRO CC[C@H](C)NC(=O)c1nnc2n1CC1(CC[NH+](Cc3cccs3)CC1)COC2 ZINC000306135061 568896980 /nfs/dbraw/zinc/89/69/80/568896980.db2.gz OGKIYYMEVSRQEV-HNNXBMFYSA-N 1 0 403.552 2.681 40 0 HFABRO Cc1ccc(C[N@H+]2C[C@@H]3c4nnc(C(=O)NCc5ccc(F)cc5)n4CC[C@@H]3C2)o1 ZINC000306138959 568900937 /nfs/dbraw/zinc/90/09/37/568900937.db2.gz SLTKCMBPEBTNIK-APWZRJJASA-N 1 0 409.465 2.868 40 0 HFABRO COc1cccc(C[N@@H+]2C[C@@H]3Cn4c(nnc4C(=O)Nc4ccccc4)C[C@@H]3C2)c1 ZINC000306142007 568903455 /nfs/dbraw/zinc/90/34/55/568903455.db2.gz WMQCXBBSUCTVOW-QZTJIDSGSA-N 1 0 403.486 2.843 40 0 HFABRO COc1ccccc1C[N@H+]1C[C@H]2Cc3nnc(C(=O)Nc4cccc(F)c4)n3C[C@@H]2C1 ZINC000306142826 568904485 /nfs/dbraw/zinc/90/44/85/568904485.db2.gz XLDHINRYTJVFGK-SJORKVTESA-N 1 0 421.476 2.982 40 0 HFABRO COc1ccc(CN2CCO[C@@]3(C[N@H+](CC4CC4)C[C@@H]3c3cccnc3)C2=O)cc1 ZINC000306144270 568905592 /nfs/dbraw/zinc/90/55/92/568905592.db2.gz ZAUYUNSRSGWILJ-ISKFKSNPSA-N 1 0 407.514 2.697 40 0 HFABRO O=C1N(Cc2ccsc2)CCO[C@]12C[N@H+](Cc1ccccn1)C[C@@H]2c1cccnc1 ZINC000306144791 568906343 /nfs/dbraw/zinc/90/63/43/568906343.db2.gz ZONKHPUOQBGCPF-GGAORHGYSA-N 1 0 420.538 2.935 40 0 HFABRO CCCCC[NH+](CCCCC)C[C@@H](C)NC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000006264150 568936572 /nfs/dbraw/zinc/93/65/72/568936572.db2.gz HZXAIIPJCQPNOW-GOSISDBHSA-N 1 0 403.633 2.845 40 0 HFABRO CCOC(=O)[C@]1(C[NH3+])[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218652450 568942711 /nfs/dbraw/zinc/94/27/11/568942711.db2.gz BTXJLVOOORJGIC-JENIJYKNSA-N 1 0 411.882 2.927 40 0 HFABRO C[NH+](C)CCCNc1nc(Nc2ccc(F)c(F)c2F)cc(-c2ccccn2)n1 ZINC000328964272 568969940 /nfs/dbraw/zinc/96/99/40/568969940.db2.gz BULIUFYTKIQQNT-UHFFFAOYSA-N 1 0 402.424 2.907 40 0 HFABRO C[NH+](C)CCNc1nc(Nc2ccccc2OC(F)(F)F)cc(-c2ccncc2)n1 ZINC000329000122 568971960 /nfs/dbraw/zinc/97/19/60/568971960.db2.gz JZXFZYUMUSYBKT-UHFFFAOYSA-N 1 0 418.423 2.998 40 0 HFABRO C[NH+](C)CCCNc1nc(Nc2c(F)cc(F)cc2F)cc(-c2cccnc2)n1 ZINC000329043637 568974364 /nfs/dbraw/zinc/97/43/64/568974364.db2.gz SSYVNDZLZNMELJ-UHFFFAOYSA-N 1 0 402.424 2.907 40 0 HFABRO CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(C)C)[NH2+][C@]21C(=O)Nc2c1cccc2Cl ZINC000016022121 569026104 /nfs/dbraw/zinc/02/61/04/569026104.db2.gz SGNGLVARWSWUSU-IDJJVQAESA-N 1 0 403.910 2.905 40 0 HFABRO C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+]2CCC[C@@H](c3cc(=O)n4c(n3)CCCCC4)C2)C1 ZINC000019462441 569345520 /nfs/dbraw/zinc/34/55/20/569345520.db2.gz CFNKKKRZSVULGS-CEXWTWQISA-N 1 0 400.567 2.654 40 0 HFABRO CCN(C(=O)CN1CCC[C@@H](c2nc(C[NH2+]C)cc(N(C)C)n2)C1)c1cccc(C)c1 ZINC000019709635 569348068 /nfs/dbraw/zinc/34/80/68/569348068.db2.gz CSXUHZXYBOGJAB-LJQANCHMSA-N 1 0 424.593 2.803 40 0 HFABRO CNc1nc([C@@H]2CCC[NH2+]2)nc2c1CCN(C(=O)C(C)(C)c1ccc(OC)cc1)C2 ZINC000019707128 569428854 /nfs/dbraw/zinc/42/88/54/569428854.db2.gz DSDHGCCGJJOUHZ-SFHVURJKSA-N 1 0 409.534 2.814 40 0 HFABRO CCOCc1ccc(C(=O)N(C)Cc2cc(N(C)C)nc([C@H]3CCC[NH2+]C3)n2)cc1 ZINC000019709694 569428884 /nfs/dbraw/zinc/42/88/84/569428884.db2.gz PRHBYTZTQVDZRO-IBGZPJMESA-N 1 0 411.550 2.818 40 0 HFABRO CCc1cc(N2CCc3cc(Br)ccc3C2)nc(NCC[NH+](C)C)n1 ZINC000329051982 571309760 /nfs/dbraw/zinc/30/97/60/571309760.db2.gz VBAYZFXIQCZPRO-UHFFFAOYSA-N 1 0 404.356 3.338 40 0 HFABRO CN(Cc1nc(C2(O)CCN(C3CC[NH+](C)CC3)CC2)cs1)Cc1cccnc1 ZINC000225425710 291220707 /nfs/dbraw/zinc/22/07/07/291220707.db2.gz YUIWGNUMQXYNIE-UHFFFAOYSA-N 1 0 415.607 2.548 40 0 biogenic,in-vitro HFABRO COc1ccc(NC(=O)NC[C@H]2C[C@@H]3CCN2C[C@@H]3C[NH+]2CCSCC2)cc1 ZINC000015672661 291225250 /nfs/dbraw/zinc/22/52/50/291225250.db2.gz BFLCAQIGNXZBBA-JENIJYKNSA-N 1 0 404.580 2.576 40 0 biogenic,in-vitro HFABRO Cc1ccc(-c2cn3c(n2)CO[C@@H](C[NH2+]Cc2ccc(S(C)(=O)=O)cc2)C3)cc1 ZINC000096269401 291226755 /nfs/dbraw/zinc/22/67/55/291226755.db2.gz NCISWZXKBICTSJ-IBGZPJMESA-N 1 0 411.527 2.951 40 0 biogenic,in-vitro HFABRO O=S(=O)(NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCc2ccccc21)c1cccs1 ZINC000008635721 291230138 /nfs/dbraw/zinc/23/01/38/291230138.db2.gz OKBJCVAHQCERCU-IPMKNSEASA-N 1 0 417.600 2.800 40 0 biogenic,in-vitro HFABRO CC[NH+]1CCN(c2ncc(-c3ccsc3)c(-c3cnc(OC)nc3OC)n2)CC1 ZINC000012275126 132357968 /nfs/dbraw/zinc/35/79/68/132357968.db2.gz SGFWYCAALKDZAY-UHFFFAOYSA-N 1 0 412.519 2.821 40 0 HFABRO CS(=O)(=O)N(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(F)cc1 ZINC000044857305 525150362 /nfs/dbraw/zinc/15/03/62/525150362.db2.gz DGUOUYAJQRRQQZ-UHFFFAOYSA-N 1 0 419.522 2.504 40 0 HFABRO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)COc2cc(C)cc(C)c2)c1 ZINC000408566553 557464980 /nfs/dbraw/zinc/46/49/80/557464980.db2.gz ALQAPUKSLVOCQV-UHFFFAOYSA-N 1 0 411.502 2.859 40 0 HFABRO CC(C)C[C@@H](C(=O)NC[C@H](c1cccs1)[NH+](C)C)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000022687829 557767827 /nfs/dbraw/zinc/76/78/27/557767827.db2.gz BZXBUIDYQNGCMI-XWTMOSNGSA-N 1 0 417.575 2.833 40 0 HFABRO CN(c1ccccc1C(=O)NCCC[NH+]1CCCC1)S(=O)(=O)c1ccccc1 ZINC000010450127 558257572 /nfs/dbraw/zinc/25/75/72/558257572.db2.gz XCVINFXAECPKMN-UHFFFAOYSA-N 1 0 401.532 2.727 40 0 HFABRO Cc1nn(C)cc1C[N@@H+]1CCC[C@H](c2nc(C)c3c(n2)N(CC2CC2)C(=O)CC3)C1 ZINC000019741299 558262025 /nfs/dbraw/zinc/26/20/25/558262025.db2.gz KMRZDWFIJLZRNO-SFHVURJKSA-N 1 0 408.550 2.896 40 0 HFABRO Nc1n[nH]c2nc(C3CC[NH+](CC(=O)N4CCCCC4)CC3)cc(C(F)(F)F)c12 ZINC000019745068 558265686 /nfs/dbraw/zinc/26/56/86/558265686.db2.gz VEDRSHGEMQHJAJ-UHFFFAOYSA-N 1 0 410.444 2.751 40 0 HFABRO O=C(Cn1cc(NC(=O)c2ccc(F)cc2)cn1)N1CCCC[C@@H]1C[NH+]1CCCC1 ZINC000019749797 558269691 /nfs/dbraw/zinc/26/96/91/558269691.db2.gz UITKQCIIFSVXSQ-HXUWFJFHSA-N 1 0 413.497 2.751 40 0 HFABRO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH+]1CCC(Cc2nn(C)cc2C(N)=O)CC1 ZINC000019756612 558274561 /nfs/dbraw/zinc/27/45/61/558274561.db2.gz FXOPEKHEMUNJEO-UHFFFAOYSA-N 1 0 424.524 2.915 40 0 HFABRO O=C(C[N@@H+]1CC[C@H](c2cc(C(=O)Nc3nccs3)c3ccccc3n2)C1)N1CCC1 ZINC000019761035 558276304 /nfs/dbraw/zinc/27/63/04/558276304.db2.gz ATSHYZJHOKYSFV-HNNXBMFYSA-N 1 0 421.526 2.965 40 0 HFABRO COc1ccc(CCC(=O)N2CCC[C@H]2c2nc(C[NH+](C)C)cc(N(C)C)n2)cc1 ZINC000019760875 558276399 /nfs/dbraw/zinc/27/63/99/558276399.db2.gz DUTNKJICUIBEFH-FQEVSTJZSA-N 1 0 411.550 2.909 40 0 HFABRO CN(C)C(=O)C[N@@H+]1CC[C@@H](c2cc(C(=O)Nc3nccs3)c3ccccc3n2)C1 ZINC000019760975 558276450 /nfs/dbraw/zinc/27/64/50/558276450.db2.gz ZKNLIPZCWTUCMN-CQSZACIVSA-N 1 0 409.515 2.821 40 0 HFABRO COC[C@H](O)C[NH2+]Cc1cc2c(-c3cccc(F)c3)nn(-c3ccccc3)c2[nH]c1=O ZINC000012146452 558338055 /nfs/dbraw/zinc/33/80/55/558338055.db2.gz MQSNWVHIVFCMOO-LJQANCHMSA-N 1 0 422.460 2.617 40 0 HFABRO CCn1c2ccc(S(=O)(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc2oc1=O ZINC000012238864 558359425 /nfs/dbraw/zinc/35/94/25/558359425.db2.gz FPCBKXTVQSMMBC-UHFFFAOYSA-N 1 0 415.515 2.557 40 0 HFABRO Cn1c2ccc(S(=O)(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc2sc1=O ZINC000012238868 558359606 /nfs/dbraw/zinc/35/96/06/558359606.db2.gz IIQNDDUFFZYGJI-UHFFFAOYSA-N 1 0 417.556 2.543 40 0 HFABRO Cn1c2ccc(S(=O)(=O)N3CCCC[C@H]3C[NH+]3CCCCC3)cc2sc1=O ZINC000012239402 558359806 /nfs/dbraw/zinc/35/98/06/558359806.db2.gz RXQKHUWVNACGRI-HNNXBMFYSA-N 1 0 409.577 2.629 40 0 HFABRO O=c1ccc(C2CC2)nn1CC1(O)C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(F)cc1F ZINC000012366348 558388246 /nfs/dbraw/zinc/38/82/46/558388246.db2.gz PDPUJNBLBXOGHE-VSOVRNOCSA-N 1 0 401.457 2.957 40 0 HFABRO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@@H]1c1ccc(OCC)cc1 ZINC000020636796 558396182 /nfs/dbraw/zinc/39/61/82/558396182.db2.gz XFWNWTMHNMWJBT-NHCUHLMSSA-N 1 0 421.497 2.850 40 0 HFABRO [NH2+]=C(NC1=N[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)C(=O)N1)Nc1ccccc1 ZINC000020799126 558415130 /nfs/dbraw/zinc/41/51/30/558415130.db2.gz WYXOGWBTUGBAFD-ZDUSSCGKSA-N 1 0 419.272 2.813 40 0 HFABRO CC[C@@H](CN1CC[NH+](C)CC1)NC(=O)Cc1sc(C)nc1-c1ccc(OC)cc1 ZINC000022453073 558490277 /nfs/dbraw/zinc/49/02/77/558490277.db2.gz UCIWUQAFIWRWFY-SFHVURJKSA-N 1 0 416.591 2.812 40 0 HFABRO Cc1cccc(N(CC(=O)NCCC[NH+](C)C)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000013632160 558552510 /nfs/dbraw/zinc/55/25/10/558552510.db2.gz YWWNLUJSLXEMHO-UHFFFAOYSA-N 1 0 423.966 2.912 40 0 HFABRO CCOc1ccc([C@H](c2nnnn2Cc2cccs2)N2CC[NH+](CC)CC2)cc1 ZINC000035311172 558789702 /nfs/dbraw/zinc/78/97/02/558789702.db2.gz UBYVDXFYMAVZMI-HXUWFJFHSA-N 1 0 412.563 2.909 40 0 HFABRO CC[C@@H](C)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1([NH2+][C@H]2CCSC)C(=O)Nc2c1cccc2Cl ZINC000035375494 558790651 /nfs/dbraw/zinc/79/06/51/558790651.db2.gz XMNCZZGJRFMWAK-JTUDCMKOSA-N 1 0 421.950 2.612 40 0 HFABRO Cn1ccc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)C[N@@H+](C2CCCCC2)CC3)n1 ZINC000019290945 558863382 /nfs/dbraw/zinc/86/33/82/558863382.db2.gz MVTUHLUFEMJKBQ-HXUWFJFHSA-N 1 0 424.549 2.562 40 0 HFABRO O=C1CCC[C@]2(C[N@H+](Cc3cnc(N4CCCCC4)nc3)C[C@H]2c2ccncc2)N1 ZINC000019405426 558884888 /nfs/dbraw/zinc/88/48/88/558884888.db2.gz GXSHYPVIOLNWGA-NZQKXSOJSA-N 1 0 406.534 2.500 40 0 HFABRO CC(C)NC(=O)Cn1cc(C[N@@H+]2CCCC[C@H]2CN2CCOCC2)c2ccccc21 ZINC000019449933 558888459 /nfs/dbraw/zinc/88/84/59/558888459.db2.gz KIIWAJNTDAHMKO-NRFANRHFSA-N 1 0 412.578 2.853 40 0 HFABRO CC(C)c1cc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)C[N@H+](C(C)C)CC3)[nH]n1 ZINC000019451841 558889891 /nfs/dbraw/zinc/88/98/91/558889891.db2.gz FAMAZUJQSQWWGI-LJQANCHMSA-N 1 0 412.538 2.750 40 0 HFABRO COCCOc1ccc(C[N@@H+]2CCc3nc(C(C)C)[nH]c(=O)c3CC2)cc1OC ZINC000019453755 558890927 /nfs/dbraw/zinc/89/09/27/558890927.db2.gz BXQZAKLDGSBFRQ-UHFFFAOYSA-N 1 0 401.507 2.528 40 0 HFABRO CCCC(=O)N1CC[C@@H](c2nc3c(c(=O)[nH]2)C[N@H+](Cc2ccccc2OC)CC3)C1 ZINC000019501124 558899080 /nfs/dbraw/zinc/89/90/80/558899080.db2.gz LFCLFRRBCNJCSV-QGZVFWFLSA-N 1 0 410.518 2.865 40 0 HFABRO CC[NH+]1CCC(n2nccc2NC(=O)CN2C(=O)COc3c(Cl)cccc32)CC1 ZINC000019527055 558908116 /nfs/dbraw/zinc/90/81/16/558908116.db2.gz UISMZZHVWYINOJ-UHFFFAOYSA-N 1 0 417.897 2.557 40 0 HFABRO COc1cc(C[N@@H+]2CCc3nc(N4CCCC4)[nH]c(=O)c3CC2)ccc1OC(F)F ZINC000019550108 558914858 /nfs/dbraw/zinc/91/48/58/558914858.db2.gz GUTWLDJONLWFSS-UHFFFAOYSA-N 1 0 420.460 2.581 40 0 HFABRO COc1ccc(F)c([C@@H]2NC(=O)CC[C@H]2[NH2+]Cc2cc(OC)c(O)c(OC)c2)c1 ZINC000019552642 558916043 /nfs/dbraw/zinc/91/60/43/558916043.db2.gz MDHDXXGCUUONBM-UZLBHIALSA-N 1 0 404.438 2.667 40 0 HFABRO COc1ccc(C[N@@H+]2CCc3nc([C@@H]4CCN(C(=O)C5CCC5)C4)[nH]c(=O)c3C2)cc1 ZINC000019555543 558918234 /nfs/dbraw/zinc/91/82/34/558918234.db2.gz AXPMBBUJJZFBLP-GOSISDBHSA-N 1 0 422.529 2.865 40 0 HFABRO COc1cc(C)c(C[N@@H+]2CCC[C@H](c3cc(=O)[nH]c(N4CCOCC4)n3)C2)cc1C ZINC000019567319 558926698 /nfs/dbraw/zinc/92/66/98/558926698.db2.gz USNGWXMCOANATR-SFHVURJKSA-N 1 0 412.534 2.612 40 0 HFABRO COc1ccccc1C[N@@H+]1CCc2nc([C@H]3CCN(C(=O)C4CCC4)C3)[nH]c(=O)c2C1 ZINC000019570575 558929447 /nfs/dbraw/zinc/92/94/47/558929447.db2.gz QNQQOQOKVOAIHW-SFHVURJKSA-N 1 0 422.529 2.865 40 0 HFABRO Cc1cc(C)n(CC(=O)NC2CC[NH+](Cc3cc(-c4ccc(F)cc4)nn3C)CC2)n1 ZINC000019573445 558931466 /nfs/dbraw/zinc/93/14/66/558931466.db2.gz SNSNFPDEZWVDEI-UHFFFAOYSA-N 1 0 424.524 2.820 40 0 HFABRO CSc1ncc(C[N@@H+]2CCC[C@H](c3cc(=O)[nH]c(N4CCCCC4)n3)C2)cn1 ZINC000019574126 558931779 /nfs/dbraw/zinc/93/17/79/558931779.db2.gz WYECRBYHUKEYKS-INIZCTEOSA-N 1 0 400.552 2.652 40 0 HFABRO COCC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@H+](CC1CCCCC1)CC2 ZINC000019592837 558943845 /nfs/dbraw/zinc/94/38/45/558943845.db2.gz DZVFWHGFBYVIFC-IBGZPJMESA-N 1 0 402.539 2.821 40 0 HFABRO COc1ccc2c(c1)C=C(C[N@@H+]1CCc3nc(N4CCC[C@H](C)C4)[nH]c(=O)c3C1)CO2 ZINC000072347483 558944438 /nfs/dbraw/zinc/94/44/38/558944438.db2.gz FUUHYYVGNZRROZ-INIZCTEOSA-N 1 0 422.529 2.849 40 0 HFABRO COCc1ccc(OC)c(C[N@@H+]2CC[C@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)c1 ZINC000019594333 558945084 /nfs/dbraw/zinc/94/50/84/558945084.db2.gz BWEDLRZEKVFBTM-SFHVURJKSA-N 1 0 406.486 2.976 40 0 HFABRO CC(=O)N1CC[N@H+](Cc2ccc3[nH]ccc3c2)C[C@H](Cc2cc(N(C)C)ncn2)C1 ZINC000072355246 558952593 /nfs/dbraw/zinc/95/25/93/558952593.db2.gz FJEJFRPOXGHMSZ-IBGZPJMESA-N 1 0 406.534 2.547 40 0 HFABRO CN(C)C(=O)C[N@@H+]1CC[C@@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)n[nH]2)C1 ZINC000072371358 558958204 /nfs/dbraw/zinc/95/82/04/558958204.db2.gz TYLLMJXLPURBEJ-CQSZACIVSA-N 1 0 410.440 2.928 40 0 HFABRO Cc1nonc1CNC(=O)C1(Cc2cccc([C@@H]3CCC[N@@H+](C)C3)c2)CCOCC1 ZINC000072372237 558959532 /nfs/dbraw/zinc/95/95/32/558959532.db2.gz XGKVJLDKSLDIHP-HXUWFJFHSA-N 1 0 412.534 2.843 40 0 HFABRO CNC(=O)c1cnc(-c2ccccc2)nc1CCNC(=O)[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000019697304 558964915 /nfs/dbraw/zinc/96/49/15/558964915.db2.gz AYIZSEZTSRWWGH-OAQYLSRUSA-N 1 0 421.545 2.569 40 0 HFABRO CCc1ncc(C[N@@H+]2CCC[C@H](c3ccnc(Nc4cc(NC)ncn4)n3)C2)cn1 ZINC000072378083 558967365 /nfs/dbraw/zinc/96/73/65/558967365.db2.gz JXURKUSEKCEWRA-INIZCTEOSA-N 1 0 405.510 2.784 40 0 HFABRO CC(C)[C@H](CNC(=O)c1ccc(C2CCN(C(=O)c3ccccn3)CC2)nc1)[NH+](C)C ZINC000019708139 558970243 /nfs/dbraw/zinc/97/02/43/558970243.db2.gz WYYQWSIWAYELMI-QFIPXVFZSA-N 1 0 423.561 2.812 40 0 HFABRO CNc1nc([C@@H]2CCC[N@H+](C)C2)nc2c1CCN(C(=O)CCc1ccc(OC)cc1)C2 ZINC000019708862 558971498 /nfs/dbraw/zinc/97/14/98/558971498.db2.gz KQRYZQUMMQRXOA-GOSISDBHSA-N 1 0 423.561 2.854 40 0 HFABRO CNc1nc([C@@H]2CCC[N@H+](C)C2)nc2c1CN(C(=O)CCc1ccccc1OC)CC2 ZINC000019710327 558972155 /nfs/dbraw/zinc/97/21/55/558972155.db2.gz FWLDAFDVXJYBKS-GOSISDBHSA-N 1 0 423.561 2.854 40 0 HFABRO COc1ccccc1[C@H](CNC(=O)c1nc2ccccc2n(C)c1=O)[NH+]1CCCCC1 ZINC000019714963 558975373 /nfs/dbraw/zinc/97/53/73/558975373.db2.gz AZVGILQDBFSGGJ-FQEVSTJZSA-N 1 0 420.513 2.899 40 0 HFABRO C[C@H]1C[C@H]1C(=O)N1CCC[C@H](c2nc3c(c(=O)[nH]2)C[N@H+](Cc2cccs2)CC3)C1 ZINC000072399051 558976529 /nfs/dbraw/zinc/97/65/29/558976529.db2.gz GYIXNGBNPZDIMQ-YQQAZPJKSA-N 1 0 412.559 2.752 40 0 HFABRO CC[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)Cc2ccccc2Cl)CC1 ZINC000585106183 559028569 /nfs/dbraw/zinc/02/85/69/559028569.db2.gz VUQZLOHMPPDKCW-UHOSZYNNSA-N 1 0 417.981 2.968 40 0 HFABRO C[N@@H+]1Cc2cccc(-c3cnc4n3CCN(C(=O)c3ccc5c(c3)OCO5)CC4)c2C1 ZINC000585111201 559031672 /nfs/dbraw/zinc/03/16/72/559031672.db2.gz IUFBHDGASMXBME-UHFFFAOYSA-N 1 0 416.481 2.923 40 0 HFABRO NC(=O)c1sc2ncccc2c1[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000585182564 559070106 /nfs/dbraw/zinc/07/01/06/559070106.db2.gz RXHBKRQZNULGRV-HNNXBMFYSA-N 1 0 400.548 2.977 40 0 HFABRO CN1CC[C@@]2(CN(c3ncccn3)CC23CC[NH+](Cc2ccc(F)cc2)CC3)C1=O ZINC000096036359 559089938 /nfs/dbraw/zinc/08/99/38/559089938.db2.gz WIAHIKAZHNJJJM-HSZRJFAPSA-N 1 0 409.509 2.567 40 0 HFABRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(C(=O)N3CCCC3)CC2)c2ccccc21 ZINC000096052917 559092755 /nfs/dbraw/zinc/09/27/55/559092755.db2.gz YKMLYYCJHFGINR-LJQANCHMSA-N 1 0 412.578 2.791 40 0 HFABRO CC(C)C[N@@H+]1CC2(CCN(C(=O)Cc3ccsc3)CC2)[C@@]2(CCN(C)C2=O)C1 ZINC000096144196 559096474 /nfs/dbraw/zinc/09/64/74/559096474.db2.gz XDVASLYQRCFBQW-QFIPXVFZSA-N 1 0 403.592 2.720 40 0 HFABRO CCN1CC[C@@]2(C[N@H+](CCOC)CC23CCN(C(=O)Nc2ccccc2)CC3)C1=O ZINC000096144366 559096710 /nfs/dbraw/zinc/09/67/10/559096710.db2.gz RXHWNTHRSJIHGL-HSZRJFAPSA-N 1 0 414.550 2.501 40 0 HFABRO C[C@@H]1CN(C(=O)c2ccc3nnc([C@@H]4CC[N@H+](Cc5ccccc5)C4)n3c2)C[C@H](C)O1 ZINC000096156172 559100279 /nfs/dbraw/zinc/10/02/79/559100279.db2.gz JHWLUCMKLCBTBB-WSTZPKSXSA-N 1 0 419.529 2.968 40 0 HFABRO O=C(c1ccc(-n2cccc2)cc1)N1CCC[C@]2(C[C@@H](C[NH+]3CCOCC3)CO2)C1 ZINC000096228410 559102744 /nfs/dbraw/zinc/10/27/44/559102744.db2.gz CJLBPZUSUFAEMP-RDPSFJRHSA-N 1 0 409.530 2.821 40 0 HFABRO Cc1cnc(C(=O)N2Cc3ccccc3C3(CCN(CC[NH+]4CCCC4)CC3)C2)cn1 ZINC000096242491 559104109 /nfs/dbraw/zinc/10/41/09/559104109.db2.gz QSYWYNSZKOMWOD-UHFFFAOYSA-N 1 0 419.573 2.870 40 0 HFABRO O=C(NCc1cccnc1)[C@H]1Cn2ccnc2C2(CC[NH+](Cc3cccs3)CC2)O1 ZINC000096243818 559104955 /nfs/dbraw/zinc/10/49/55/559104955.db2.gz VNJVPYHHUPFOAL-LJQANCHMSA-N 1 0 423.542 2.546 40 0 HFABRO CCOc1ccccc1OC[C@H](O)C[N@H+](C)Cc1ccc(OC)c(OCCOC)c1 ZINC000585269963 559116072 /nfs/dbraw/zinc/11/60/72/559116072.db2.gz RCAQNXUCJQNKIH-LJQANCHMSA-N 1 0 419.518 2.991 40 0 HFABRO O=C(Cc1ccc(Cl)cc1)N1CC[C@@H](O)[C@](O)(C[NH2+]Cc2ccc(Cl)cc2)C1 ZINC000585289389 559122420 /nfs/dbraw/zinc/12/24/20/559122420.db2.gz FRLIQXZLPXCYRB-CTNGQTDRSA-N 1 0 423.340 2.650 40 0 HFABRO CC(C)(C)[C@H]1CC[C@](O)(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3ccc(F)cc3)C2)CC1 ZINC000585287594 559123136 /nfs/dbraw/zinc/12/31/36/559123136.db2.gz PGHNQXJRRJERHG-BPCBYJRWSA-N 1 0 409.542 2.970 40 0 HFABRO C[N@H+](Cc1ccc(OCc2ccccn2)cc1)C[C@]1(O)CCN(c2ncccn2)C1 ZINC000257210098 559282610 /nfs/dbraw/zinc/28/26/10/559282610.db2.gz BTDQYYYAYJOLQG-HSZRJFAPSA-N 1 0 405.502 2.524 40 0 HFABRO C[N@@H+](Cc1ccc(OCCN2CCCC2=O)cc1)C[C@H](O)COC1CCCCC1 ZINC000257311783 559286147 /nfs/dbraw/zinc/28/61/47/559286147.db2.gz UKZMULWUGNIHPA-FQEVSTJZSA-N 1 0 404.551 2.830 40 0 HFABRO C[N@@H+](Cc1ccc(OCC(=O)N2CCCC2)cc1)C[C@H](O)COC1CCCCC1 ZINC000257308799 559286210 /nfs/dbraw/zinc/28/62/10/559286210.db2.gz TYDIVHZHLBKLIX-FQEVSTJZSA-N 1 0 404.551 2.830 40 0 HFABRO C[N@@H+]1CC[C@H](COCc2ccccn2)CC12CN(C(=O)[C@H]1Cc3ccccc3O1)C2 ZINC000575402649 560546701 /nfs/dbraw/zinc/54/67/01/560546701.db2.gz DQYXUVZISYLKKV-PGRDOPGGSA-N 1 0 407.514 2.525 40 0 HFABRO C[N@@H+](Cc1cccnc1)C[C@H]1CCC2(CN(C(=O)[C@H]3Cc4ccccc4O3)C2)OC1 ZINC000575403344 560546903 /nfs/dbraw/zinc/54/69/03/560546903.db2.gz IJDBNMKEDOCCEK-DENIHFKCSA-N 1 0 407.514 2.525 40 0 HFABRO Cc1ccc2cc(CN(C[C@@H]3CCCO3)C(=S)NCCC[NH+](C)C)c(=O)[nH]c2c1 ZINC000004131677 560599739 /nfs/dbraw/zinc/59/97/39/560599739.db2.gz MLLHQODDWBGQQB-IBGZPJMESA-N 1 0 416.591 2.644 40 0 HFABRO Cc1cc(C)c2[nH]c(=O)c(CN(CC[NH+](C)C)C(=S)NC[C@@H]3CCCO3)cc2c1 ZINC000004133503 560600571 /nfs/dbraw/zinc/60/05/71/560600571.db2.gz BKKDVHUQPXCGAB-IBGZPJMESA-N 1 0 416.591 2.562 40 0 HFABRO Cc1cc(C)c2cc(CN(CC[NH+](C)C)C(=S)NC[C@H]3CCCO3)c(=O)[nH]c2c1 ZINC000004133529 560600619 /nfs/dbraw/zinc/60/06/19/560600619.db2.gz MHJGWLLQMSDNJY-GOSISDBHSA-N 1 0 416.591 2.562 40 0 HFABRO COc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccccc3)[C@H]2c2ccccc2)cc1 ZINC000409061945 560671814 /nfs/dbraw/zinc/67/18/14/560671814.db2.gz KICIQXYFUFVMLK-RUHLTXABSA-O 1 0 400.458 2.711 40 0 HFABRO CC(C)c1ccc(N(CC(=O)NCC[NH+](C)C)S(=O)(=O)c2ccccc2)cc1 ZINC000010111519 560763834 /nfs/dbraw/zinc/76/38/34/560763834.db2.gz ZSGVHDFOTRCBMU-UHFFFAOYSA-N 1 0 403.548 2.683 40 0 HFABRO CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)NCCC[NH+]1CCCC1 ZINC000010450115 560769793 /nfs/dbraw/zinc/76/97/93/560769793.db2.gz PAMZQELBIGFPHQ-UHFFFAOYSA-N 1 0 415.559 2.869 40 0 HFABRO COc1ccc(/C=C/C(=O)NC(=S)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000017088596 560863592 /nfs/dbraw/zinc/86/35/92/560863592.db2.gz SNPIRQABWUBFAG-LFYBBSHMSA-N 1 0 410.543 2.973 40 0 HFABRO C[C@H](C(=O)NCCC[NH+]1CCCCCC1)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000224123772 568570729 /nfs/dbraw/zinc/57/07/29/568570729.db2.gz LKTQPVPXDIFKDE-OAHLLOKOSA-N 1 0 417.522 2.502 40 0 HFABRO Cn1c2ccc(S(=O)(=O)NCc3cccc(C[NH+]4CCCC4)c3)cc2sc1=O ZINC000224641585 568590052 /nfs/dbraw/zinc/59/00/52/568590052.db2.gz CSIPUYLCPMVIHF-UHFFFAOYSA-N 1 0 417.556 2.674 40 0 HFABRO C[C@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)N(c1ccccc1)S(C)(=O)=O ZINC000224766914 568595900 /nfs/dbraw/zinc/59/59/00/568595900.db2.gz FXAYFJPVQZCWER-GOSISDBHSA-N 1 0 415.559 2.753 40 0 HFABRO CS(=O)(=O)c1ccc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000224850350 568600140 /nfs/dbraw/zinc/60/01/40/568600140.db2.gz XMYAZWGEDKWOSX-UHFFFAOYSA-N 1 0 422.572 2.555 40 0 HFABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)CN(Cc1ccc(C)cc1)S(C)(=O)=O ZINC000224860717 568600808 /nfs/dbraw/zinc/60/08/08/568600808.db2.gz PKHZAQKBLBNRFJ-HXUWFJFHSA-N 1 0 409.596 2.527 40 0 HFABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000225511440 568645069 /nfs/dbraw/zinc/64/50/69/568645069.db2.gz TUFXTSVONLHYHA-WOJBJXKFSA-N 1 0 421.607 2.858 40 0 HFABRO O=C(CN1CC[C@@]2(CCC[N@@H+]2Cc2ccccc2)[C@@H](O)C1)N1CCc2ccccc21 ZINC000257200660 568776273 /nfs/dbraw/zinc/77/62/73/568776273.db2.gz AEHSISWLJJLJBP-ZCYQVOJMSA-N 1 0 405.542 2.677 40 0 HFABRO CN(C)C(=O)[C@@]1(c2ccccn2)CCCN(C(=O)c2ccccc2C[NH+]2CCCC2)C1 ZINC000257210697 568779458 /nfs/dbraw/zinc/77/94/58/568779458.db2.gz BVSWJMIRTRTHPC-VWLOTQADSA-N 1 0 420.557 2.940 40 0 HFABRO c1cnc2c(c1)cccc2C[C@@H]1COCC[N@H+](Cc2ccnc(N3CCOCC3)n2)C1 ZINC000257217123 568780969 /nfs/dbraw/zinc/78/09/69/568780969.db2.gz CXOALVUVWGJASI-IBGZPJMESA-N 1 0 419.529 2.553 40 0 HFABRO c1cnc2c(c1)cccc2C[C@H]1COCC[N@H+](Cc2ccnc(N3CCOCC3)n2)C1 ZINC000257217124 568781023 /nfs/dbraw/zinc/78/10/23/568781023.db2.gz CXOALVUVWGJASI-LJQANCHMSA-N 1 0 419.529 2.553 40 0 HFABRO CN(C(=O)c1ccc(OCC[NH+]2CCCCC2)cc1)[C@@H]1CC[C@@H](n2ccnc2)[C@@H]1O ZINC000257232562 568785512 /nfs/dbraw/zinc/78/55/12/568785512.db2.gz GLJXSWKHGWUXEU-YPAWHYETSA-N 1 0 412.534 2.584 40 0 HFABRO CC(=O)Nc1ccc(C(=O)N2CCC[C@@](O)(C[NH+]3CCC(F)(F)CC3)CC2)cc1 ZINC000257247646 568789446 /nfs/dbraw/zinc/78/94/46/568789446.db2.gz IZXMJVQWDUOIIX-FQEVSTJZSA-N 1 0 409.477 2.733 40 0 HFABRO CC(=O)Nc1ccc(C(=O)N2CCC[C@](O)(C[NH+]3CCC(F)(F)CC3)CC2)cc1 ZINC000257247647 568789521 /nfs/dbraw/zinc/78/95/21/568789521.db2.gz IZXMJVQWDUOIIX-HXUWFJFHSA-N 1 0 409.477 2.733 40 0 HFABRO Cc1nccn1[C@@H]1CC[C@@H](N(C)C(=O)c2cccc(OCC[NH+]3CCCC3)c2)[C@H]1O ZINC000257314859 568808690 /nfs/dbraw/zinc/80/86/90/568808690.db2.gz UYVAIROIQVURQS-YPAWHYETSA-N 1 0 412.534 2.503 40 0 HFABRO C[N@H+](Cc1ccc(F)cc1)C[C@]1(O)CCCN(C(=O)Cc2ccc(CO)cc2)CC1 ZINC000257340833 568816192 /nfs/dbraw/zinc/81/61/92/568816192.db2.gz ZHRNWACTMGBFDZ-DEOSSOPVSA-N 1 0 414.521 2.736 40 0 HFABRO CC(=O)N1C[C@H](C(=O)Nc2cccc(F)c2)O[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000306125068 568887843 /nfs/dbraw/zinc/88/78/43/568887843.db2.gz CGEHQONXOYPJSU-FYYLOGMGSA-N 1 0 411.477 2.656 40 0 HFABRO O=C(NCc1ccccc1)c1cn2c(nc1=O)[C@@]1(CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000306126777 568889469 /nfs/dbraw/zinc/88/94/69/568889469.db2.gz FEZYZIOOXBADGG-RUZDIDTESA-N 1 0 414.509 2.721 40 0 HFABRO CC[C@@H](C)NC(=O)c1nnc2n1CC1(CC[NH+](Cc3ccc(F)cc3)CC1)COC2 ZINC000306130187 568892441 /nfs/dbraw/zinc/89/24/41/568892441.db2.gz IYWLIFKMVFWKBT-MRXNPFEDSA-N 1 0 415.513 2.758 40 0 HFABRO O=C1N(Cc2ccccc2)CCO[C@]12C[N@H+](Cc1cccnc1)C[C@H]2c1cccnc1 ZINC000306130360 568892737 /nfs/dbraw/zinc/89/27/37/568892737.db2.gz JDKBTWHNXDXAHP-ZCYQVOJMSA-N 1 0 414.509 2.874 40 0 HFABRO CC(C)n1cc(C[N@@H+]2C[C@@H]3Cn4c(nnc4C(=O)Nc4ccccc4)C[C@@H]3C2)cn1 ZINC000306131592 568893897 /nfs/dbraw/zinc/89/38/97/568893897.db2.gz KJJYIUYJPPTEJW-QZTJIDSGSA-N 1 0 405.506 2.612 40 0 HFABRO C[N@@H+]1CC[C@@H](COCc2cccnc2)CC12CN(C(=O)[C@@H]1Cc3ccccc3O1)C2 ZINC000306135258 568897330 /nfs/dbraw/zinc/89/73/30/568897330.db2.gz OLYVURFGGLJBQC-GCJKJVERSA-N 1 0 407.514 2.525 40 0 HFABRO O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1C[N@@H+](Cc3ccc4c(c3)OCO4)C[C@H]1C2 ZINC000306136342 568898207 /nfs/dbraw/zinc/89/82/07/568898207.db2.gz PQMUAVORWZQSIC-SJORKVTESA-N 1 0 417.469 2.563 40 0 HFABRO COC(=O)N1Cc2nnc(-c3cccnc3)n2C2(CC[NH+](Cc3ccsc3)CC2)C1 ZINC000306143801 568905260 /nfs/dbraw/zinc/90/52/60/568905260.db2.gz YNFWLIYKBVJAKG-UHFFFAOYSA-N 1 0 424.530 2.975 40 0 HFABRO CCOC[C@]1(C[NH3+])[C@@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218170013 568926903 /nfs/dbraw/zinc/92/69/03/568926903.db2.gz OUSLNOBMRLNRBX-PCCBWWKXSA-N 1 0 403.500 2.645 40 0 HFABRO CCOC[C@]1(C[NH3+])[C@@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218181710 568927260 /nfs/dbraw/zinc/92/72/60/568927260.db2.gz WITKHYUWSAJNMU-SLFFLAALSA-N 1 0 423.918 2.990 40 0 HFABRO Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(Br)cc3)[C@@]2(C[NH3+])CO)cc1 ZINC000218227488 568928442 /nfs/dbraw/zinc/92/84/42/568928442.db2.gz GFDFATLUFGQKDN-KZNAEPCWSA-N 1 0 410.333 2.635 40 0 HFABRO CC(C)(C)OC(=O)N[C@]1(C[NH3+])[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218660355 568942734 /nfs/dbraw/zinc/94/27/34/568942734.db2.gz IMWMOEVGGCHCBX-BBTUJRGHSA-N 1 0 420.506 2.988 40 0 HFABRO CCOC(=O)[C@]1(C[NH3+])[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218652292 568942743 /nfs/dbraw/zinc/94/27/43/568942743.db2.gz BTXJLVOOORJGIC-ZIFCJYIRSA-N 1 0 411.882 2.927 40 0 HFABRO C[NH+](C)CCCNc1nc(Nc2ccc(F)c(F)c2F)cc(-c2ccncc2)n1 ZINC000328989065 568971606 /nfs/dbraw/zinc/97/16/06/568971606.db2.gz IINQGMAHFBIVON-UHFFFAOYSA-N 1 0 402.424 2.907 40 0 HFABRO C[NH+](C)CCNc1nc(Nc2cccc(OC(F)(F)F)c2)cc(-c2ccccn2)n1 ZINC000329040751 568974366 /nfs/dbraw/zinc/97/43/66/568974366.db2.gz SEOKHOSMGLFFPI-UHFFFAOYSA-N 1 0 418.423 2.998 40 0 HFABRO C[NH+](C)CCNc1nc(Nc2cccc(Br)c2)cc(-c2cccnc2)n1 ZINC000329043041 568974402 /nfs/dbraw/zinc/97/44/02/568974402.db2.gz SPVHTJWSJFLAEM-UHFFFAOYSA-N 1 0 413.323 2.862 40 0 HFABRO C[NH+](C)CCNc1nc(Nc2cccc(Br)c2)cc(-c2ccncc2)n1 ZINC000329068968 568975596 /nfs/dbraw/zinc/97/55/96/568975596.db2.gz YSZLBCCQPPCCOY-UHFFFAOYSA-N 1 0 413.323 2.862 40 0 HFABRO O=C(NCCc1c[nH]cn1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000101493775 569013659 /nfs/dbraw/zinc/01/36/59/569013659.db2.gz MYLVTZNJYAHIHL-GASCZTMLSA-N 1 0 424.954 2.507 40 0 HFABRO c1ccc(C(c2ccccc2)[NH+]2CCN(Cc3nnnn3C[C@H]3CCCO3)CC2)cc1 ZINC000019369527 569030666 /nfs/dbraw/zinc/03/06/66/569030666.db2.gz ZAMHONVMVGWKOU-JOCHJYFZSA-N 1 0 418.545 2.759 40 0 HFABRO Cn1nc(C(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@@H]45)[C@@H]32)c2ccccc2c1=O ZINC000257198830 569058949 /nfs/dbraw/zinc/05/89/49/569058949.db2.gz JOOVBUDCBFQMDE-KXXHFCIOSA-N 1 0 418.541 2.969 40 0 HFABRO CC[NH+]1CCN(c2ccc(N)cc2NC(=O)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000226259763 569278643 /nfs/dbraw/zinc/27/86/43/569278643.db2.gz ZDNOGFZLZWRECI-UHFFFAOYSA-N 1 0 414.506 2.689 40 0 HFABRO c1cc(-c2cnc(N3CCOCC3)nc2[C@@H]2CCC[N@@H+](C[C@H]3CCOC3)C2)ccn1 ZINC000253588428 569318059 /nfs/dbraw/zinc/31/80/59/569318059.db2.gz BYXODLRNBQEJRG-UYAOXDASSA-N 1 0 409.534 2.591 40 0 HFABRO Cc1cc(Cl)ccc1N(CC(=O)NCCC[NH+](C)C)S(=O)(=O)c1ccccc1 ZINC000010111360 569342889 /nfs/dbraw/zinc/34/28/89/569342889.db2.gz VIZCWCMNUGEDIU-UHFFFAOYSA-N 1 0 423.966 2.912 40 0 HFABRO COc1ccccc1C[N@@H+]1CCC[C@H](c2nn(CCNC(C)=O)c3ncccc23)C1 ZINC000012219529 569344763 /nfs/dbraw/zinc/34/47/63/569344763.db2.gz NCCCWHSQAMPDHF-IBGZPJMESA-N 1 0 407.518 2.956 40 0 HFABRO CCC[NH+]1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)CC3CCCCC3)C1)C2=O ZINC000019699999 569347096 /nfs/dbraw/zinc/34/70/96/569347096.db2.gz IMVBGVBSMCANAC-IBGZPJMESA-N 1 0 418.582 2.744 40 0 HFABRO CCN(C(=O)CN(C)Cc1cc(N(C)C)nc([C@@H]2CCC[NH2+]C2)n1)c1cccc(C)c1 ZINC000019709743 569348120 /nfs/dbraw/zinc/34/81/20/569348120.db2.gz YDMXQJVXSMACOH-LJQANCHMSA-N 1 0 424.593 2.803 40 0 HFABRO CCN1CN(c2ccccc2)C2(CC[NH+](C[C@H]3COc4ccccc4O3)CC2)C1=O ZINC000073298105 569385483 /nfs/dbraw/zinc/38/54/83/569385483.db2.gz RCKWQESNRPYDDB-FQEVSTJZSA-N 1 0 407.514 2.987 40 0 HFABRO Cc1cccc(C)c1N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(c3ccccc3NC1=O)[N@H+]1CCC[C@@H]21 ZINC000009332547 569392374 /nfs/dbraw/zinc/39/23/74/569392374.db2.gz DANMZDFCDJOVND-GSRZOBFVSA-N 1 0 401.466 2.735 40 0 HFABRO COC(=O)c1ccc(Nc2cc(-c3ccccn3)nc(NCCC[NH+](C)C)n2)cc1 ZINC000328983325 571306770 /nfs/dbraw/zinc/30/67/70/571306770.db2.gz HGLDOLYUFBWNRA-UHFFFAOYSA-N 1 0 406.490 3.432 40 0 HFABRO