smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)N1CCN(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCCC4)CC1 ZINC000003279282 132263998 /nfs/dbraw/zinc/26/39/98/132263998.db2.gz PCVNRLPECJHLMR-UHFFFAOYSA-N 1 1 413.591 3.225 50 0 HGAAMO C[N@H+](CCSc1ccc(F)cc1)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000007360206 132324041 /nfs/dbraw/zinc/32/40/41/132324041.db2.gz SFXMBPFNYJKGDR-UHFFFAOYSA-N 1 1 403.523 3.325 50 0 HGAAMO C[N@@H+](CCSc1ccc(F)cc1)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000007360206 132324043 /nfs/dbraw/zinc/32/40/43/132324043.db2.gz SFXMBPFNYJKGDR-UHFFFAOYSA-N 1 1 403.523 3.325 50 0 HGAAMO O=C(C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1)N1CCN(c2ccccn2)CC1 ZINC000007554467 132325052 /nfs/dbraw/zinc/32/50/52/132325052.db2.gz ZBWIXZCTIYQNEP-SFHVURJKSA-N 1 1 421.570 3.220 50 0 HGAAMO Cc1ccc([C@@H]2[NH+]=C(N3CCN(c4ccccc4)CC3)Nc3nc(C)cc(=O)n32)cc1 ZINC000009264590 132337957 /nfs/dbraw/zinc/33/79/57/132337957.db2.gz JFWFDWVZIXKYIQ-JOCHJYFZSA-N 1 1 414.513 3.011 50 0 HGAAMO O[C@@H]1C[N@@H+](Cc2ccnc3ccccc23)CC[C@H]1N1CCN(c2ccccc2F)CC1 ZINC000011821483 132351112 /nfs/dbraw/zinc/35/11/12/132351112.db2.gz YTAFHWNYZIAPCP-JWQCQUIFSA-N 1 1 420.532 3.131 50 0 HGAAMO CCN1CC[NH+](Cc2ccc(CNC(=O)Cc3c(F)cccc3Cl)cc2)CC1 ZINC000032933061 521687946 /nfs/dbraw/zinc/68/79/46/521687946.db2.gz DTXSDARKRUCSOV-UHFFFAOYSA-N 1 1 403.929 3.476 50 0 HGAAMO CCN1CC[NH+](Cc2ccccc2CNC(=O)/C=C/c2cc(OC)ccc2OC)CC1 ZINC000032915638 521688552 /nfs/dbraw/zinc/68/85/52/521688552.db2.gz OCTSQGOPUDESMO-FMIVXFBMSA-N 1 1 423.557 3.171 50 0 HGAAMO CC[C@H](CNC(=O)COc1ccc(C(C)=O)cc1OC)[N@H+]1CCc2ccccc2C1 ZINC000032446210 522174013 /nfs/dbraw/zinc/17/40/13/522174013.db2.gz KOYDGEPONYNAKK-OAQYLSRUSA-N 1 1 410.514 3.230 50 0 HGAAMO C[N@H+]1CCCN(C(=O)c2csc(NC(=O)c3ccccc3C(F)(F)F)n2)CC1 ZINC000040355947 523807073 /nfs/dbraw/zinc/80/70/73/523807073.db2.gz RHBNPURUZTXBDV-UHFFFAOYSA-N 1 1 412.437 3.192 50 0 HGAAMO CN(C(=O)c1csc(NC(=O)c2ccc(Cl)cc2Cl)n1)[C@H]1CC[N@@H+](C)C1 ZINC000040355839 523963029 /nfs/dbraw/zinc/96/30/29/523963029.db2.gz KUPQQFWWEGBLJM-NSHDSACASA-N 1 1 413.330 3.478 50 0 HGAAMO COc1ccc2c(c1)C=C(CN1CC[N@@H+](Cc3cccs3)[C@H](CCO)C1)CO2 ZINC000043119838 525510665 /nfs/dbraw/zinc/51/06/65/525510665.db2.gz HXVQVSFPQOYDTP-LJQANCHMSA-N 1 1 400.544 3.101 50 0 HGAAMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cn(-c2ccccc2C(F)(F)F)nn1 ZINC000032816973 526922703 /nfs/dbraw/zinc/92/27/03/526922703.db2.gz AGGYPQMZOJXFGE-MRXNPFEDSA-N 1 1 415.419 3.290 50 0 HGAAMO NC(=O)[C@@H]1CN(c2nc(/C=C\c3ccccc3)nc3sc4c(c32)CCCC4)CC[NH2+]1 ZINC000040162379 526980037 /nfs/dbraw/zinc/98/00/37/526980037.db2.gz KVSCXPXXZPZVCV-MQNTZWLQSA-N 1 1 419.554 3.004 50 0 HGAAMO CN(C(=O)c1ccccc1N1CCOCC1)[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000011662685 536068796 /nfs/dbraw/zinc/06/87/96/536068796.db2.gz RGQMZRQRHIOMRL-FQEVSTJZSA-N 1 1 411.521 3.399 50 0 HGAAMO CN(C(=O)c1ccccc1N1CCOCC1)[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000011662685 536068799 /nfs/dbraw/zinc/06/87/99/536068799.db2.gz RGQMZRQRHIOMRL-FQEVSTJZSA-N 1 1 411.521 3.399 50 0 HGAAMO COC(=O)c1ccc(N2C(=O)C[C@H]([NH+]3CCC(Cc4ccccc4)CC3)C2=O)cc1 ZINC000001209567 557242680 /nfs/dbraw/zinc/24/26/80/557242680.db2.gz POQFTGFCSKRKML-NRFANRHFSA-N 1 1 406.482 3.060 50 0 HGAAMO Cc1cccc(-n2nc(C(=O)N(C)[C@H]3CC[N@@H+](C)C3)nc2CCc2ccccc2)c1 ZINC000034911811 557476577 /nfs/dbraw/zinc/47/65/77/557476577.db2.gz SMYYSHGBSFZZAE-NRFANRHFSA-N 1 1 403.530 3.137 50 0 HGAAMO COc1ccc(C[N@@H+]2CCC[C@H]2C(=O)Nc2ccc(OC)c(OC)c2)cc1OC ZINC000004862795 557607825 /nfs/dbraw/zinc/60/78/25/557607825.db2.gz AMJZAULPSPHFOB-KRWDZBQOSA-N 1 1 400.475 3.324 50 0 HGAAMO COc1ccc(C[N@H+]2CCC[C@H]2C(=O)Nc2ccc(OC)c(OC)c2)cc1OC ZINC000004862795 557607826 /nfs/dbraw/zinc/60/78/26/557607826.db2.gz AMJZAULPSPHFOB-KRWDZBQOSA-N 1 1 400.475 3.324 50 0 HGAAMO CCOC(=O)C1CC[NH+]([C@@H](c2cccc(F)c2)c2c(O)cc(C)n(CC)c2=O)CC1 ZINC000022697110 557783855 /nfs/dbraw/zinc/78/38/55/557783855.db2.gz OKAKUJLOYBYVDK-NRFANRHFSA-N 1 1 416.493 3.386 50 0 HGAAMO c1ccc(CC[N@H+]2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cc1 ZINC000019744629 558265216 /nfs/dbraw/zinc/26/52/16/558265216.db2.gz YDAQLLXUYXEECB-HSZRJFAPSA-N 1 1 407.558 3.240 50 0 HGAAMO COC[C@H]1CC[N@@H+](Cc2c(C(=O)N(C)CCc3ccccc3)nc3c(C)cccn23)C1 ZINC000011819754 558283043 /nfs/dbraw/zinc/28/30/43/558283043.db2.gz QIBLWPGWKMAYJU-NRFANRHFSA-N 1 1 420.557 3.426 50 0 HGAAMO COc1ccccc1OCC(=O)NC[C@H]1CCC[N@@H+](Cc2cccc(C(C)=O)c2)C1 ZINC000012001544 558308372 /nfs/dbraw/zinc/30/83/72/558308372.db2.gz UDELWFJCDJEDQO-HXUWFJFHSA-N 1 1 410.514 3.305 50 0 HGAAMO CN(C[C@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)c1cc[n+]([O-])cc1 ZINC000012005159 558308885 /nfs/dbraw/zinc/30/88/85/558308885.db2.gz DXLSWKOPJDJFKF-GOSISDBHSA-N 1 1 421.463 3.366 50 0 HGAAMO Cc1cccc(C(=O)N(CC[NH+](C)C)C[C@H]2CCCN(Cc3ccccc3F)C2)n1 ZINC000012024667 558309943 /nfs/dbraw/zinc/30/99/43/558309943.db2.gz ZRBUJLNHOOMJKX-FQEVSTJZSA-N 1 1 412.553 3.445 50 0 HGAAMO Cc1cc(C(=O)NCc2nnc3n2CC[N@@H+](Cc2cccc(Cl)c2)CC3)c(C)o1 ZINC000012028875 558310708 /nfs/dbraw/zinc/31/07/08/558310708.db2.gz MCKWUEIYWYFIFY-UHFFFAOYSA-N 1 1 413.909 3.130 50 0 HGAAMO Cc1cc(C(=O)NCc2nnc3n2CC[N@H+](Cc2cccc(Cl)c2)CC3)c(C)o1 ZINC000012028875 558310711 /nfs/dbraw/zinc/31/07/11/558310711.db2.gz MCKWUEIYWYFIFY-UHFFFAOYSA-N 1 1 413.909 3.130 50 0 HGAAMO C[C@H]1C[N@H+](CCC(=O)NCCCOc2cccnc2)Cc2cc(Cl)ccc2O1 ZINC000012056523 558316125 /nfs/dbraw/zinc/31/61/25/558316125.db2.gz ZVGDFZREQGWRKB-INIZCTEOSA-N 1 1 403.910 3.293 50 0 HGAAMO C[C@H]1C[N@@H+](CCC(=O)NCCCOc2cccnc2)Cc2cc(Cl)ccc2O1 ZINC000012056523 558316127 /nfs/dbraw/zinc/31/61/27/558316127.db2.gz ZVGDFZREQGWRKB-INIZCTEOSA-N 1 1 403.910 3.293 50 0 HGAAMO COc1cc(C[NH2+]Cc2ccccc2C)ccc1OC[C@H](O)CN1CCSCC1 ZINC000012076218 558319863 /nfs/dbraw/zinc/31/98/63/558319863.db2.gz NVSDCLGIZUGBBW-OAQYLSRUSA-N 1 1 416.587 3.082 50 0 HGAAMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cn(Cc2ccccc2F)nn1 ZINC000012090476 558323955 /nfs/dbraw/zinc/32/39/55/558323955.db2.gz NITYBTUYBMICJN-LJQANCHMSA-N 1 1 407.493 3.108 50 0 HGAAMO COc1cccc2c1OCC(C[N@@H+]1CCN(Cc3ccccc3F)[C@@H](CCO)C1)=C2 ZINC000020118987 558336745 /nfs/dbraw/zinc/33/67/45/558336745.db2.gz XROAHWPSGHPTKV-NRFANRHFSA-N 1 1 412.505 3.179 50 0 HGAAMO COc1cccc2c1OCC(C[N@H+]1CCN(Cc3ccccc3F)[C@@H](CCO)C1)=C2 ZINC000020118987 558336747 /nfs/dbraw/zinc/33/67/47/558336747.db2.gz XROAHWPSGHPTKV-NRFANRHFSA-N 1 1 412.505 3.179 50 0 HGAAMO COc1ccccc1N1CC[NH+](C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000020149097 558340151 /nfs/dbraw/zinc/34/01/51/558340151.db2.gz NHQBVHFUFXVOLW-QGZVFWFLSA-N 1 1 421.335 3.020 50 0 HGAAMO COc1ccccc1N1CCN([C@H]2CCC[N@@H+](Cc3ccc(NC(C)=O)cc3)C2)CC1 ZINC000020449828 558364817 /nfs/dbraw/zinc/36/48/17/558364817.db2.gz UOSHCDHVTQJRLY-QHCPKHFHSA-N 1 1 422.573 3.440 50 0 HGAAMO O=C(NCc1nnc2n1CC[N@H+](Cc1cc3ccccc3o1)CC2)c1cccc(F)c1 ZINC000020451117 558365570 /nfs/dbraw/zinc/36/55/70/558365570.db2.gz GJMUPPNCFLOTAC-UHFFFAOYSA-N 1 1 419.460 3.152 50 0 HGAAMO O=C(NCc1ccc(Cl)s1)[C@@H]1CCC[N@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000012299406 558369551 /nfs/dbraw/zinc/36/95/51/558369551.db2.gz UWOFXAOPZJVUGK-OAHLLOKOSA-N 1 1 409.983 3.131 50 0 HGAAMO O=C(NCCC[NH+]1CCOCC1)c1cc(-c2cccnc2)nc2ccc(Cl)cc21 ZINC000020479439 558375003 /nfs/dbraw/zinc/37/50/03/558375003.db2.gz LEYZJPLODCROEN-UHFFFAOYSA-N 1 1 410.905 3.402 50 0 HGAAMO CCCCn1c(CN(C)C[C@@H]2CCC[N@H+]2C)cnc1S(=O)(=O)C1CCCCC1 ZINC000020514628 558382672 /nfs/dbraw/zinc/38/26/72/558382672.db2.gz DYXRVFKRBMEWEH-SFHVURJKSA-N 1 1 410.628 3.316 50 0 HGAAMO Cc1nn(C)c(Cl)c1C[N@H+]1CCC[C@H](C(=O)Nc2cccc(-n3cccn3)c2)C1 ZINC000012387351 558396066 /nfs/dbraw/zinc/39/60/66/558396066.db2.gz CINXIDBRTUEDTE-INIZCTEOSA-N 1 1 412.925 3.418 50 0 HGAAMO C[NH+]1CCN(C(=O)CC[C@@H]2CCCN(C(=O)CCc3cccc(Cl)c3)C2)CC1 ZINC000020774802 558411830 /nfs/dbraw/zinc/41/18/30/558411830.db2.gz UNOMZCTXSUFABQ-IBGZPJMESA-N 1 1 405.970 3.065 50 0 HGAAMO CN(C(=O)COc1ncnc2ccccc21)[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012443152 558412996 /nfs/dbraw/zinc/41/29/96/558412996.db2.gz UQFDMQPYMVCOEN-FQEVSTJZSA-N 1 1 416.525 3.099 50 0 HGAAMO O=C(c1n[nH]c(=O)c2ccccc21)N1CC[C@]2(C1)CCC[N@@H+](CC1CCCCC1)C2 ZINC000012455440 558417022 /nfs/dbraw/zinc/41/70/22/558417022.db2.gz QFDXMROOQPLSTL-XMMPIXPASA-N 1 1 408.546 3.432 50 0 HGAAMO CCOC(=O)N1CCN([C@H]2CCC[N@H+](Cc3nc(-c4cccs4)oc3C)C2)CC1 ZINC000020877882 558419624 /nfs/dbraw/zinc/41/96/24/558419624.db2.gz QGGJOZXIBQOTJB-KRWDZBQOSA-N 1 1 418.563 3.450 50 0 HGAAMO CCOC(=O)N1CCN([C@H]2CCC[N@@H+](Cc3nc(-c4cccs4)oc3C)C2)CC1 ZINC000020877882 558419627 /nfs/dbraw/zinc/41/96/27/558419627.db2.gz QGGJOZXIBQOTJB-KRWDZBQOSA-N 1 1 418.563 3.450 50 0 HGAAMO CN(C(=O)CCc1ccc2c(c1)OCO2)[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012479267 558423135 /nfs/dbraw/zinc/42/31/35/558423135.db2.gz JUBFOHGVYKUDPH-NRFANRHFSA-N 1 1 406.526 3.438 50 0 HGAAMO O=C(NCC[C@@H]1C[C@@H]2C=C[C@H]1C2)c1coc(CN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000020992352 558426315 /nfs/dbraw/zinc/42/63/15/558426315.db2.gz LIBHYZVTZYJTEN-BHIFYINESA-N 1 1 420.557 3.325 50 0 HGAAMO Fc1ccccc1N1CCN([C@H]2CCC[N@@H+](Cc3cccn3-c3ncccn3)C2)CC1 ZINC000020998429 558427481 /nfs/dbraw/zinc/42/74/81/558427481.db2.gz MKCXSDICNCIYER-FQEVSTJZSA-N 1 1 420.536 3.193 50 0 HGAAMO Fc1ccccc1N1CC[NH+]([C@H]2CCCN(Cc3cccn3-c3ncccn3)C2)CC1 ZINC000020998429 558427484 /nfs/dbraw/zinc/42/74/84/558427484.db2.gz MKCXSDICNCIYER-FQEVSTJZSA-N 1 1 420.536 3.193 50 0 HGAAMO Cn1cc(C(=O)N2CCC[C@@H]([N@@H+](C)CCc3ccccc3)C2)c(=O)c2ccccc21 ZINC000012574186 558430385 /nfs/dbraw/zinc/43/03/85/558430385.db2.gz UMMQVTFIOPLQTA-HXUWFJFHSA-N 1 1 403.526 3.318 50 0 HGAAMO O=C(CCc1nc(-c2ccccc2)no1)N[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000012582900 558433112 /nfs/dbraw/zinc/43/31/12/558433112.db2.gz COWIOGCWOGYWEJ-NRFANRHFSA-N 1 1 404.514 3.493 50 0 HGAAMO Cc1ccsc1CN(C)C(=O)[C@H]1CCC[N@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000012715637 558454913 /nfs/dbraw/zinc/45/49/13/558454913.db2.gz BVAQZWMCOYRWRH-SFHVURJKSA-N 1 1 403.592 3.128 50 0 HGAAMO O=S(=O)(CCN1CC[NH+](Cc2csc3ccccc23)CC1)Oc1ccccc1 ZINC000022018956 558458373 /nfs/dbraw/zinc/45/83/73/558458373.db2.gz ALBVBVSSGYNXMX-UHFFFAOYSA-N 1 1 416.568 3.428 50 0 HGAAMO C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@H+](C)Cc1ccc(Br)cc1 ZINC000012994823 558498104 /nfs/dbraw/zinc/49/81/04/558498104.db2.gz OTYMULXFKMQSNV-NSHDSACASA-N 1 1 403.280 3.078 50 0 HGAAMO C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@@H+](C)Cc1ccc(Br)cc1 ZINC000012994823 558498107 /nfs/dbraw/zinc/49/81/07/558498107.db2.gz OTYMULXFKMQSNV-NSHDSACASA-N 1 1 403.280 3.078 50 0 HGAAMO Cc1ccc(NC(=O)CN2CC[NH+](CCC(=O)Nc3cccc(Cl)c3)CC2)cc1 ZINC000022930260 558523898 /nfs/dbraw/zinc/52/38/98/558523898.db2.gz LIUXWXDZILWTFU-UHFFFAOYSA-N 1 1 414.937 3.233 50 0 HGAAMO OCC[C@@H]1CN(Cc2cccn2-c2nccs2)CC[N@H+]1CCCc1ccccc1 ZINC000023373643 558553681 /nfs/dbraw/zinc/55/36/81/558553681.db2.gz RIOYQIWRUOWAMW-OAQYLSRUSA-N 1 1 410.587 3.435 50 0 HGAAMO OCC[C@H]1CN(Cc2cccn2-c2nccs2)CC[N@H+]1CCCc1ccccc1 ZINC000023373645 558553766 /nfs/dbraw/zinc/55/37/66/558553766.db2.gz RIOYQIWRUOWAMW-NRFANRHFSA-N 1 1 410.587 3.435 50 0 HGAAMO Cc1nn(C)c2nc(C)c(CCC(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)c(C)c12 ZINC000024969889 558623018 /nfs/dbraw/zinc/62/30/18/558623018.db2.gz ZICDVDAHKNXIOS-FQEVSTJZSA-N 1 1 405.546 3.217 50 0 HGAAMO Cc1cc(=O)c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1-c1ccc(Cl)cc1 ZINC000024974618 558623527 /nfs/dbraw/zinc/62/35/27/558623527.db2.gz KMLBGWLQIIRVPB-LJQANCHMSA-N 1 1 422.916 3.199 50 0 HGAAMO Cc1cc(=O)c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1-c1ccc(Cl)cc1 ZINC000024974618 558623528 /nfs/dbraw/zinc/62/35/28/558623528.db2.gz KMLBGWLQIIRVPB-LJQANCHMSA-N 1 1 422.916 3.199 50 0 HGAAMO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H](C)C(=O)N1CC(=O)Nc2ccccc21 ZINC000014142377 558625467 /nfs/dbraw/zinc/62/54/67/558625467.db2.gz DQZPAFRIRWFAND-KRWDZBQOSA-N 1 1 417.513 3.012 50 0 HGAAMO Cc1ccc2[nH]c(SCC(=O)NCC3([NH+]4CCOCC4)CCCCC3)nc2c1 ZINC000014638025 558662750 /nfs/dbraw/zinc/66/27/50/558662750.db2.gz CUASSZVMXNNQQY-UHFFFAOYSA-N 1 1 402.564 3.115 50 0 HGAAMO O=C(C[NH+]1CCC(NC(=O)c2ccccc2)CC1)N1CC=C(c2ccccc2)CC1 ZINC000014708387 558664446 /nfs/dbraw/zinc/66/44/46/558664446.db2.gz FORFPDHQZIQVQT-UHFFFAOYSA-N 1 1 403.526 3.197 50 0 HGAAMO COCCCNC(=O)[C@@H]1C[C@H](COc2cccc(F)c2)C[N@@H+](Cc2ccccc2)C1 ZINC000014743083 558667879 /nfs/dbraw/zinc/66/78/79/558667879.db2.gz LDPGIFLFMMMIQY-LEWJYISDSA-N 1 1 414.521 3.496 50 0 HGAAMO CC[N@@H+](C[C@@H]1CCCN(CCc2cccc(OC)c2)C1)C1CCN(C(C)=O)CC1 ZINC000014955740 558682379 /nfs/dbraw/zinc/68/23/79/558682379.db2.gz VFDSLGOGCBSIRD-JOCHJYFZSA-N 1 1 401.595 3.283 50 0 HGAAMO CSc1ncc(C[NH+]2CCC(n3nccc3NC(=O)Cc3ccccc3)CC2)cn1 ZINC000014969441 558686962 /nfs/dbraw/zinc/68/69/62/558686962.db2.gz UAQRDZRKWNDPHJ-UHFFFAOYSA-N 1 1 422.558 3.413 50 0 HGAAMO O=C(Nc1ccnn1C1CC[NH+](Cc2c(F)cccc2Cl)CC1)[C@@H]1CCOC1 ZINC000015062099 558705054 /nfs/dbraw/zinc/70/50/54/558705054.db2.gz HPXMUQJSAYWFOI-CQSZACIVSA-N 1 1 406.889 3.488 50 0 HGAAMO COc1ccc(CN2C[C@@H]3C[C@@H](c4ccc5nonc5c4)[N@H+]4CCC[C@@]34C2=O)cc1 ZINC000015062540 558705396 /nfs/dbraw/zinc/70/53/96/558705396.db2.gz QDIGQPAIIPLNNW-HYVJGQCMSA-N 1 1 404.470 3.169 50 0 HGAAMO CCn1cc(C[NH+]2CCC(Oc3cc(OC)ccc3C(=O)N3CCCC3)CC2)cn1 ZINC000015072631 558713795 /nfs/dbraw/zinc/71/37/95/558713795.db2.gz DTJXVHVRRWWOGF-UHFFFAOYSA-N 1 1 412.534 3.191 50 0 HGAAMO COc1cccc2c1OCC(C[N@@H+]1CCN(Cc3ccccc3F)[C@H](CCO)C1)=C2 ZINC000036379396 558799652 /nfs/dbraw/zinc/79/96/52/558799652.db2.gz XROAHWPSGHPTKV-OAQYLSRUSA-N 1 1 412.505 3.179 50 0 HGAAMO COc1cccc2c1OCC(C[N@H+]1CCN(Cc3ccccc3F)[C@H](CCO)C1)=C2 ZINC000036379396 558799653 /nfs/dbraw/zinc/79/96/53/558799653.db2.gz XROAHWPSGHPTKV-OAQYLSRUSA-N 1 1 412.505 3.179 50 0 HGAAMO COc1cccc(Nc2nc(N3CC[NH+](C)CC3)nc3c2cnn3-c2ccccc2)c1 ZINC000016916083 558809216 /nfs/dbraw/zinc/80/92/16/558809216.db2.gz LBDYYXDLHYAFIA-UHFFFAOYSA-N 1 1 415.501 3.320 50 0 HGAAMO COc1cc(OC)c(OC)cc1CN1CC[N@@H+](CC2CCCCC2)[C@H](CCO)C1 ZINC000039447052 558821437 /nfs/dbraw/zinc/82/14/37/558821437.db2.gz HEHRYADQWKJZGA-HXUWFJFHSA-N 1 1 406.567 3.161 50 0 HGAAMO Cc1cc2nc3sc(C(=O)NCCC[N@@H+]4CCC[C@@H](C)C4)cc(=O)n3c2cc1C ZINC000033009105 558828334 /nfs/dbraw/zinc/82/83/34/558828334.db2.gz IDONNBYIRNLICF-CQSZACIVSA-N 1 1 412.559 3.378 50 0 HGAAMO COc1ccc(N2C(=O)C[C@H]([NH+]3CCC(c4nc5ccccc5[nH]4)CC3)C2=O)cc1 ZINC000018179523 558832765 /nfs/dbraw/zinc/83/27/65/558832765.db2.gz ICBJBVHQOVSKEC-FQEVSTJZSA-N 1 1 404.470 3.083 50 0 HGAAMO Cc1cc(C)c(C[N@@H+]2CCc3nnc([C@@H](C)NC(=O)c4ccco4)n3CC2)cc1C ZINC000019225042 558852541 /nfs/dbraw/zinc/85/25/41/558852541.db2.gz ORXZERWSJWWWKB-GOSISDBHSA-N 1 1 407.518 3.346 50 0 HGAAMO O[C@@H](COc1ccc2ccccc2c1)C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019363101 558876502 /nfs/dbraw/zinc/87/65/02/558876502.db2.gz SRLSGOKXOOXOCE-JOCHJYFZSA-N 1 1 420.509 3.126 50 0 HGAAMO O=S(=O)(/C=C/c1ccccc1)N1CCC[C@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000055270653 558878041 /nfs/dbraw/zinc/87/80/41/558878041.db2.gz SOSGASBEBGCRDN-FOYGFLCZSA-N 1 1 411.571 3.274 50 0 HGAAMO Cc1ncoc1C(=O)N1CCC[C@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000055328045 558879287 /nfs/dbraw/zinc/87/92/87/558879287.db2.gz IXCLMQHBOOXVKP-SFHVURJKSA-N 1 1 422.451 3.429 50 0 HGAAMO COc1cn(-c2ccccc2)nc1C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000058158884 558904236 /nfs/dbraw/zinc/90/42/36/558904236.db2.gz TWLCJDXGEBWQMF-GOSISDBHSA-N 1 1 420.513 3.032 50 0 HGAAMO COc1cn(-c2ccccc2)nc1C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000058158884 558904238 /nfs/dbraw/zinc/90/42/38/558904238.db2.gz TWLCJDXGEBWQMF-GOSISDBHSA-N 1 1 420.513 3.032 50 0 HGAAMO COc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(C(N)=O)CC2)cc1Cl ZINC000058175577 558909463 /nfs/dbraw/zinc/90/94/63/558909463.db2.gz LRKOYXASIBWSDH-IBGZPJMESA-N 1 1 401.894 3.226 50 0 HGAAMO CCC(CC)[C@@H](CNC(=O)NCc1ccc(C[NH+](CC)CC)cc1)N1CCOCC1 ZINC000058175482 558909467 /nfs/dbraw/zinc/90/94/67/558909467.db2.gz XHQKGUSRVDUFFO-HSZRJFAPSA-N 1 1 418.626 3.465 50 0 HGAAMO NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3csc(Br)c3)cc2)C1 ZINC000058306542 558918209 /nfs/dbraw/zinc/91/82/09/558918209.db2.gz NRAIGUCVOCLSJB-ZDUSSCGKSA-N 1 1 422.348 3.460 50 0 HGAAMO COc1ccccc1C[C@@H]1CCC[N@H+]1CC(=O)N1CCc2cc(OC)c(OC)cc2C1 ZINC000058441234 558927625 /nfs/dbraw/zinc/92/76/25/558927625.db2.gz KABBWVBJPYNDIN-NRFANRHFSA-N 1 1 424.541 3.304 50 0 HGAAMO C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000060377484 558942557 /nfs/dbraw/zinc/94/25/57/558942557.db2.gz BFMPROPBLIXKCV-KRWDZBQOSA-N 1 1 421.545 3.027 50 0 HGAAMO C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000060377484 558942559 /nfs/dbraw/zinc/94/25/59/558942559.db2.gz BFMPROPBLIXKCV-KRWDZBQOSA-N 1 1 421.545 3.027 50 0 HGAAMO O=C(c1ccccc1C(F)(F)F)N1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC000072437543 558980652 /nfs/dbraw/zinc/98/06/52/558980652.db2.gz MFECYJXQZNFLCA-UHFFFAOYSA-N 1 1 405.424 3.058 50 0 HGAAMO COc1cc(C[N@H+](Cc2cc(=O)n3ccsc3n2)CC(C)C)cc(OC)c1OC ZINC000033068989 558981549 /nfs/dbraw/zinc/98/15/49/558981549.db2.gz DLBACOZQFPXJTE-UHFFFAOYSA-N 1 1 417.531 3.440 50 0 HGAAMO Cc1nc(-n2ccnc2)cc(N2CCN(C(=O)Nc3cccc(Cl)c3C)CC2)[nH+]1 ZINC000067613287 558989172 /nfs/dbraw/zinc/98/91/72/558989172.db2.gz NTPVHGOSQNEOCE-UHFFFAOYSA-N 1 1 411.897 3.287 50 0 HGAAMO CCC[NH+]1CCN(C(=O)c2coc(COc3ccc4sc(C)nc4c3)n2)CC1 ZINC000067675206 558991194 /nfs/dbraw/zinc/99/11/94/558991194.db2.gz WLIKWBDQPIDSBN-UHFFFAOYSA-N 1 1 400.504 3.340 50 0 HGAAMO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]C[C@H](O)COCc1ccccc1F ZINC000097141090 558997305 /nfs/dbraw/zinc/99/73/05/558997305.db2.gz PFUQRTJZTMYNFS-KNKQGSTJSA-N 1 1 400.538 3.449 50 0 HGAAMO C[N@H+]1CCCN(C(=O)c2ccc3c(c2)n(CC2CC2)c(=O)n3C2CCCCC2)CC1 ZINC000077407781 559004355 /nfs/dbraw/zinc/00/43/55/559004355.db2.gz QOTLPXPWGDMMCC-UHFFFAOYSA-N 1 1 410.562 3.496 50 0 HGAAMO CSCCCNC(=O)[C@@H]1CCC[N@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000082126117 559039793 /nfs/dbraw/zinc/03/97/93/559039793.db2.gz XZKXUVZETDEGOL-QGZVFWFLSA-N 1 1 416.591 3.378 50 0 HGAAMO O=C(NCCc1ccccc1)[C@@H]1CCC[N@H+](C2CCN(Cc3cscn3)CC2)C1 ZINC000082138752 559040658 /nfs/dbraw/zinc/04/06/58/559040658.db2.gz QIPOMCJCTYIHJG-HXUWFJFHSA-N 1 1 412.603 3.178 50 0 HGAAMO CN(Cc1ccccc1)C(=O)[C@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000082166729 559042063 /nfs/dbraw/zinc/04/20/63/559042063.db2.gz YFFBXGIVXPAUAC-QHCPKHFHSA-N 1 1 406.574 3.417 50 0 HGAAMO c1ccc2[nH]c(C[N@@H+]3C[C@@H](c4ccc5c(c4)OCO5)[C@@H]4[C@H]3C3CCN4CC3)nc2c1 ZINC000095366609 559080118 /nfs/dbraw/zinc/08/01/18/559080118.db2.gz MMBDBAFWFIEPDG-PKKBDPGCSA-N 1 1 402.498 3.354 50 0 HGAAMO c1ccc2[nH]c(C[N@H+]3C[C@@H](c4ccc5c(c4)OCO5)[C@@H]4[C@H]3C3CCN4CC3)nc2c1 ZINC000095366609 559080119 /nfs/dbraw/zinc/08/01/19/559080119.db2.gz MMBDBAFWFIEPDG-PKKBDPGCSA-N 1 1 402.498 3.354 50 0 HGAAMO CCn1cc(CN(Cc2ccncc2)CC2CC[NH+](C3CCN(C)CC3)CC2)c(C)n1 ZINC000095504599 559082998 /nfs/dbraw/zinc/08/29/98/559082998.db2.gz FTGAAAJDSGAANJ-UHFFFAOYSA-N 1 1 424.637 3.415 50 0 HGAAMO Cc1cc(CN(C)Cc2cccc(OC[C@H](O)C[N@@H+](C)C3CCCCC3)c2)[nH]n1 ZINC000095521427 559085245 /nfs/dbraw/zinc/08/52/45/559085245.db2.gz SBICQBCBQYDRTD-JOCHJYFZSA-N 1 1 400.567 3.354 50 0 HGAAMO Cc1cc(CN(C)Cc2cccc(OC[C@H](O)C[N@H+](C)C3CCCCC3)c2)n[nH]1 ZINC000095521427 559085247 /nfs/dbraw/zinc/08/52/47/559085247.db2.gz SBICQBCBQYDRTD-JOCHJYFZSA-N 1 1 400.567 3.354 50 0 HGAAMO Cc1cc(CN(C)Cc2cccc(OC[C@H](O)C[N@@H+](C)C3CCCCC3)c2)n[nH]1 ZINC000095521427 559085249 /nfs/dbraw/zinc/08/52/49/559085249.db2.gz SBICQBCBQYDRTD-JOCHJYFZSA-N 1 1 400.567 3.354 50 0 HGAAMO CCn1c(CN2CC[N@H+](Cc3ccc(OC)c(C)c3)[C@@H](CCO)C2)nc2ccccc21 ZINC000107100205 559164598 /nfs/dbraw/zinc/16/45/98/559164598.db2.gz MMPBOUQBHNHFKA-NRFANRHFSA-N 1 1 422.573 3.442 50 0 HGAAMO CCn1c(CN2CC[N@@H+](Cc3ccc(OC)c(C)c3)[C@@H](CCO)C2)nc2ccccc21 ZINC000107100205 559164600 /nfs/dbraw/zinc/16/46/00/559164600.db2.gz MMPBOUQBHNHFKA-NRFANRHFSA-N 1 1 422.573 3.442 50 0 HGAAMO CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000005068476 559240487 /nfs/dbraw/zinc/24/04/87/559240487.db2.gz GOKQVHHBOIENNV-KBPBESRZSA-N 1 1 417.506 3.421 50 0 HGAAMO COCCCN(C[C@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)c1cc(-c2ccncc2)n[nH]1 ZINC000409415101 559250972 /nfs/dbraw/zinc/25/09/72/559250972.db2.gz TYWNKCPILYIKAG-DENIHFKCSA-N 1 1 411.550 3.215 50 0 HGAAMO COCCCN(C[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1cc(-c2ccncc2)[nH]n1 ZINC000409415101 559250973 /nfs/dbraw/zinc/25/09/73/559250973.db2.gz TYWNKCPILYIKAG-DENIHFKCSA-N 1 1 411.550 3.215 50 0 HGAAMO COCCCN(C[C@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)c1cc(-c2ccncc2)[nH]n1 ZINC000409415101 559250974 /nfs/dbraw/zinc/25/09/74/559250974.db2.gz TYWNKCPILYIKAG-DENIHFKCSA-N 1 1 411.550 3.215 50 0 HGAAMO CCCCNC(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1cc(OC)ccc1OC ZINC000005184078 559290308 /nfs/dbraw/zinc/29/03/08/559290308.db2.gz QUMWUHGCJYLWBL-WTIAFYNJSA-N 1 1 404.551 3.288 50 0 HGAAMO CCCCNC(=O)C[N@H+]1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1cc(OC)ccc1OC ZINC000005184078 559290310 /nfs/dbraw/zinc/29/03/10/559290310.db2.gz QUMWUHGCJYLWBL-WTIAFYNJSA-N 1 1 404.551 3.288 50 0 HGAAMO CC[N@H+]1CCc2nc(-c3ccc(F)cc3)n(CC(=O)Nc3cccc(F)c3)c(=O)c2C1 ZINC000062007147 560566334 /nfs/dbraw/zinc/56/63/34/560566334.db2.gz SHMMPSSIXGLKKE-UHFFFAOYSA-N 1 1 424.451 3.205 50 0 HGAAMO CCOc1ccc(N2C(=O)C[C@H]([NH+]3CCC(C(=O)Nc4ccccc4)CC3)C2=O)cc1 ZINC000101490903 560795878 /nfs/dbraw/zinc/79/58/78/560795878.db2.gz PHFLYYXQQTWHEF-NRFANRHFSA-N 1 1 421.497 3.068 50 0 HGAAMO COCCN(C[C@H]1C[N@@H+](Cc2ccc(C)o2)C[C@@H]1c1cccc(F)c1)C(=O)COC ZINC000105050261 560860823 /nfs/dbraw/zinc/86/08/23/560860823.db2.gz RFSADAQIBLDOOY-DENIHFKCSA-N 1 1 418.509 3.064 50 0 HGAAMO Cc1nc(CSCCC(=O)Nc2ccc(C[NH+]3CCN(C)CC3)cc2)cs1 ZINC000046934097 560879490 /nfs/dbraw/zinc/87/94/90/560879490.db2.gz AGLMWOQNIRJHJL-UHFFFAOYSA-N 1 1 404.605 3.461 50 0 HGAAMO COc1ccc(OC)c(S(=O)(=O)N2CC[NH+]([C@H](C)CCc3ccccc3)CC2)c1 ZINC000048332466 568440140 /nfs/dbraw/zinc/44/01/40/568440140.db2.gz GMIKNWCUNYJBDY-GOSISDBHSA-N 1 1 418.559 3.031 50 0 HGAAMO CCc1c(C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cnn1-c1ccc(F)cc1 ZINC000024690556 568456827 /nfs/dbraw/zinc/45/68/27/568456827.db2.gz MHWRJUSVSOWJFG-IYBDPMFKSA-N 1 1 402.514 3.191 50 0 HGAAMO CCc1c(C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cnn1-c1ccc(F)cc1 ZINC000024690556 568456829 /nfs/dbraw/zinc/45/68/29/568456829.db2.gz MHWRJUSVSOWJFG-IYBDPMFKSA-N 1 1 402.514 3.191 50 0 HGAAMO CCOc1c(Br)cc(Br)cc1C[NH2+]CC(=O)N1CCCC1 ZINC000058007995 568499264 /nfs/dbraw/zinc/49/92/64/568499264.db2.gz OMUOQFVYQQBNGR-UHFFFAOYSA-N 1 1 420.145 3.322 50 0 HGAAMO CCOC(=O)C1C(C[NH+]2CCCCC2)=NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 ZINC000020214515 568594638 /nfs/dbraw/zinc/59/46/38/568594638.db2.gz WICKJHMWHQFEFQ-FQEVSTJZSA-N 1 1 401.507 3.131 50 0 HGAAMO CCOC(=O)C1=C(C[NH+]2CCCCC2)NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 ZINC000020214515 568594640 /nfs/dbraw/zinc/59/46/40/568594640.db2.gz WICKJHMWHQFEFQ-FQEVSTJZSA-N 1 1 401.507 3.131 50 0 HGAAMO CCOC(=O)C1C(C[NH2+]CCc2ccc(Cl)cc2)=NC(=O)N[C@H]1c1ccccc1 ZINC000020283122 568596714 /nfs/dbraw/zinc/59/67/14/568596714.db2.gz YQMGEGVFZQMBOJ-FQEVSTJZSA-N 1 1 413.905 3.343 50 0 HGAAMO COc1cccc(C(=O)N2CCN([C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)c1OC ZINC000095457068 568617973 /nfs/dbraw/zinc/61/79/73/568617973.db2.gz NJGANIVXBYATLN-OAQYLSRUSA-N 1 1 423.557 3.126 50 0 HGAAMO Brc1cc2c(cc1C[N@H+]1CCC[C@@H](Cn3cncn3)C1)OCCCO2 ZINC000095464606 568622602 /nfs/dbraw/zinc/62/26/02/568622602.db2.gz QLAZYAKDRMXELD-CQSZACIVSA-N 1 1 407.312 3.114 50 0 HGAAMO COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000225500094 568643792 /nfs/dbraw/zinc/64/37/92/568643792.db2.gz IMRPHRBFTKBQKT-HKUYNNGSSA-N 1 1 419.953 3.086 50 0 HGAAMO Cn1cccc1[C@@H](CNC(=O)c1ccc2c(c1)OCO2)[N@@H+]1CCc2ccccc2C1 ZINC000021151833 568672504 /nfs/dbraw/zinc/67/25/04/568672504.db2.gz BQICQMWZWGDDQU-OAQYLSRUSA-N 1 1 403.482 3.283 50 0 HGAAMO Cn1cccc1[C@@H](CNC(=O)c1ccc2c(c1)OCO2)[N@H+]1CCc2ccccc2C1 ZINC000021151833 568672507 /nfs/dbraw/zinc/67/25/07/568672507.db2.gz BQICQMWZWGDDQU-OAQYLSRUSA-N 1 1 403.482 3.283 50 0 HGAAMO CO[C@H](C[NH+]1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1)c1ccc(Cl)cc1 ZINC000225769735 568672834 /nfs/dbraw/zinc/67/28/34/568672834.db2.gz GICNUFWTFOYAJK-LVCYWYKZSA-N 1 1 407.986 3.150 50 0 HGAAMO Cc1cc(C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)ccc1NC(=O)CC(C)C ZINC000096006416 568682730 /nfs/dbraw/zinc/68/27/30/568682730.db2.gz ZRRZSLAUIGSMLI-JOCHJYFZSA-N 1 1 423.557 3.476 50 0 HGAAMO O=C(NCCC[NH+]1CCOCC1)c1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000021236319 568685772 /nfs/dbraw/zinc/68/57/72/568685772.db2.gz HOTUERJEVUBYEY-UHFFFAOYSA-N 1 1 404.514 3.051 50 0 HGAAMO O=S(=O)(c1ccc(-c2cccc(Cl)c2)cc1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000096099732 568690805 /nfs/dbraw/zinc/69/08/05/568690805.db2.gz RXSUKFQLJKHRLA-FQEVSTJZSA-N 1 1 420.962 3.227 50 0 HGAAMO CC[NH+]1CCN(c2nnc(-n3cccc3C(=O)Nc3ccccc3Cl)s2)CC1 ZINC000021535317 568711987 /nfs/dbraw/zinc/71/19/87/568711987.db2.gz KURCTTMIZKIREF-UHFFFAOYSA-N 1 1 416.938 3.376 50 0 HGAAMO CCN(CC)c1ncc2c(n1)CC[C@H](C(=O)N1CC[NH+](Cc3ccc(C)cc3)CC1)C2 ZINC000096310524 568724442 /nfs/dbraw/zinc/72/44/42/568724442.db2.gz GTFLXKWVACOJAV-NRFANRHFSA-N 1 1 421.589 3.081 50 0 HGAAMO CC[NH+]1CCN(C(=O)C2CCN(C(=O)c3cccnc3-c3ccccc3C)CC2)CC1 ZINC000021654488 568730947 /nfs/dbraw/zinc/73/09/47/568730947.db2.gz XDMVFVCSUDRZOA-UHFFFAOYSA-N 1 1 420.557 3.073 50 0 HGAAMO Cc1cc(N2CCC(NC(=O)c3ccnc(-c4ccccc4)c3N)CC2)nc(C)[nH+]1 ZINC000242140841 568732291 /nfs/dbraw/zinc/73/22/91/568732291.db2.gz WPTAZGNDYYPYPS-UHFFFAOYSA-N 1 1 402.502 3.136 50 0 HGAAMO O=C(COc1ccc2c(c1)oc(=O)c1c2CCCC1)NC[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000096343571 568736970 /nfs/dbraw/zinc/73/69/70/568736970.db2.gz SOZSZWOEIJUELM-VGOFRKELSA-N 1 1 424.541 3.431 50 0 HGAAMO Cc1oc2ccn(Cc3cccc(F)c3)c(=O)c2c1C(=O)N1CC[NH+](C(C)C)CC1 ZINC000096396510 568745048 /nfs/dbraw/zinc/74/50/48/568745048.db2.gz LYNFWUXMHPNECD-UHFFFAOYSA-N 1 1 411.477 3.257 50 0 HGAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccccc1-n1cnc2ccccc2c1=O ZINC000299754387 568782231 /nfs/dbraw/zinc/78/22/31/568782231.db2.gz FZXYMWKDMRGFDF-AVRDEDQJSA-N 1 1 416.525 3.380 50 0 biogenic HGAAMO [NH2+]=C1Nc2nc3cc4c(cc3n2[C@@H](c2ccccc2C(F)(F)F)N1)OCCCO4 ZINC000012507728 568839917 /nfs/dbraw/zinc/83/99/17/568839917.db2.gz FIWUNTLRDXBNFV-INIZCTEOSA-N 1 1 403.364 3.313 50 0 HGAAMO CCn1cnnc1C1CC[NH+](CC(=O)N[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000083843651 568918233 /nfs/dbraw/zinc/91/82/33/568918233.db2.gz VTALGHHRBMRFAH-AWEZNQCLSA-N 1 1 420.355 3.117 50 0 HGAAMO COc1cc(Br)c(OC)c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000012762259 568946546 /nfs/dbraw/zinc/94/65/46/568946546.db2.gz UHQVPVSYGVDKOS-HNNXBMFYSA-N 1 1 419.319 3.471 50 0 HGAAMO O=C(Nc1ccccc1OC(F)F)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000084535855 568950330 /nfs/dbraw/zinc/95/03/30/568950330.db2.gz RFSJONJVHKYTDY-IRXDYDNUSA-N 1 1 405.445 3.293 50 0 HGAAMO CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000012774026 568953263 /nfs/dbraw/zinc/95/32/63/568953263.db2.gz NSTCKFKJQWQKPD-IRLDBZIGSA-N 1 1 415.965 3.442 50 0 HGAAMO CN(Cc1ccc(Br)cc1)C(=O)C[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000012782643 568958447 /nfs/dbraw/zinc/95/84/47/568958447.db2.gz DPCBUEAUWPKQAF-UHFFFAOYSA-N 1 1 419.319 3.311 50 0 HGAAMO CN(Cc1ccc(Br)cc1)C(=O)C[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000012782643 568958448 /nfs/dbraw/zinc/95/84/48/568958448.db2.gz DPCBUEAUWPKQAF-UHFFFAOYSA-N 1 1 419.319 3.311 50 0 HGAAMO CC[N@@H+](CCCNC(=O)c1ccc2c(c1)nc1n(c2=O)CCCC1)Cc1ccccc1 ZINC000015677457 568965043 /nfs/dbraw/zinc/96/50/43/568965043.db2.gz VIGOCAUAERZYOF-UHFFFAOYSA-N 1 1 418.541 3.375 50 0 HGAAMO CC(=O)c1ccc(OC[C@@H](O)C[N@@H+](C)CCOc2ccc(Br)cc2)cc1 ZINC000007990813 568967090 /nfs/dbraw/zinc/96/70/90/568967090.db2.gz WLCFCMDYZWIYSC-SFHVURJKSA-N 1 1 422.319 3.402 50 0 HGAAMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCN(c3ncccn3)CC2)n1 ZINC000008149551 568977317 /nfs/dbraw/zinc/97/73/17/568977317.db2.gz OKKYPDUQJIUKOC-UHFFFAOYSA-N 1 1 411.579 3.267 50 0 HGAAMO COc1ccc2c(C)c(CCC(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)c(=O)oc2c1 ZINC000012808010 568980397 /nfs/dbraw/zinc/98/03/97/568980397.db2.gz RLVJVAAKZFIWAJ-LJQANCHMSA-N 1 1 420.509 3.433 50 0 HGAAMO O=C(C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)NCc1ccc2c(c1)OCO2 ZINC000008310346 568988386 /nfs/dbraw/zinc/98/83/86/568988386.db2.gz IINPMNIWOVOHMW-GOSISDBHSA-N 1 1 410.470 3.030 50 0 HGAAMO O=C(C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)NCc1ccc2c(c1)OCO2 ZINC000008310346 568988388 /nfs/dbraw/zinc/98/83/88/568988388.db2.gz IINPMNIWOVOHMW-GOSISDBHSA-N 1 1 410.470 3.030 50 0 HGAAMO CCOc1ccc(C[N@@H+]2CCN(Cc3c(OC)cccc3OC)C[C@H]2CCO)cc1 ZINC000104298013 569008214 /nfs/dbraw/zinc/00/82/14/569008214.db2.gz AKEAVYIGOLWGPU-HXUWFJFHSA-N 1 1 414.546 3.171 50 0 HGAAMO CCOc1ccc(C[N@H+]2CCN(Cc3c(OC)cccc3OC)C[C@H]2CCO)cc1 ZINC000104298013 569008215 /nfs/dbraw/zinc/00/82/15/569008215.db2.gz AKEAVYIGOLWGPU-HXUWFJFHSA-N 1 1 414.546 3.171 50 0 HGAAMO COc1ccc(C[N@H+]2CCN(Cc3cccn3-c3ccccn3)C[C@H]2CCO)cc1C ZINC000104321923 569008277 /nfs/dbraw/zinc/00/82/77/569008277.db2.gz VVZKSRRSLYHQRU-JOCHJYFZSA-N 1 1 420.557 3.258 50 0 HGAAMO CCOc1ccccc1C[N@@H+]1CCN(Cc2c(OC)cccc2OC)C[C@H]1CCO ZINC000104366268 569008451 /nfs/dbraw/zinc/00/84/51/569008451.db2.gz GNUOLBHRWKSCMV-HXUWFJFHSA-N 1 1 414.546 3.171 50 0 HGAAMO CCOc1ccccc1C[N@H+]1CCN(Cc2c(OC)cccc2OC)C[C@H]1CCO ZINC000104366268 569008452 /nfs/dbraw/zinc/00/84/52/569008452.db2.gz GNUOLBHRWKSCMV-HXUWFJFHSA-N 1 1 414.546 3.171 50 0 HGAAMO COc1ccc(C[N@H+]2CCN(Cc3cnn(C(C)C)c3)C[C@H]2CCO)c(C)c1C ZINC000104493118 569008906 /nfs/dbraw/zinc/00/89/06/569008906.db2.gz BORLEMRNDIWRSE-JOCHJYFZSA-N 1 1 400.567 3.158 50 0 HGAAMO Cc1cccc(OC[C@H](O)C[N@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c1 ZINC000012905288 569020939 /nfs/dbraw/zinc/02/09/39/569020939.db2.gz DLIONJIXNAEDCJ-GOSISDBHSA-N 1 1 409.452 3.361 50 0 HGAAMO C[C@@H]1C[N@H+](CCCNC(=O)c2cccc(NC(=O)c3cccs3)c2)C[C@H](C)O1 ZINC000012912225 569021850 /nfs/dbraw/zinc/02/18/50/569021850.db2.gz QDQHWLNSRKMVKL-IYBDPMFKSA-N 1 1 401.532 3.230 50 0 HGAAMO CCCCCNC(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1ccc2c(c1)OCO2 ZINC000006264166 569036183 /nfs/dbraw/zinc/03/61/83/569036183.db2.gz XFEVYGOFGKAHNI-YFXJRYMSSA-N 1 1 402.535 3.390 50 0 biogenic HGAAMO CCCCCNC(=O)C[N@H+]1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1ccc2c(c1)OCO2 ZINC000006264166 569036184 /nfs/dbraw/zinc/03/61/84/569036184.db2.gz XFEVYGOFGKAHNI-YFXJRYMSSA-N 1 1 402.535 3.390 50 0 biogenic HGAAMO CC(C)c1nc(S(=O)(=O)NC[C@H](c2csc3ccccc32)[NH+](C)C)cn1C ZINC000575622169 569038990 /nfs/dbraw/zinc/03/89/90/569038990.db2.gz XCUODIUPLNCPDI-MRXNPFEDSA-N 1 1 406.577 3.339 50 0 HGAAMO CCc1nc(-c2ccc(C)c(S(=O)(=O)N3CC[NH+](C4CCCCC4)CC3)c2)no1 ZINC000035556930 569044690 /nfs/dbraw/zinc/04/46/90/569044690.db2.gz CVTCPOROIDKDCH-UHFFFAOYSA-N 1 1 418.563 3.246 50 0 HGAAMO CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1C[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000239425860 569054370 /nfs/dbraw/zinc/05/43/70/569054370.db2.gz VJUALCDTAIBMKL-SJORKVTESA-N 1 1 404.580 3.319 50 0 HGAAMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)COc1ccc(N2CCCC2=O)cc1 ZINC000242178838 569054981 /nfs/dbraw/zinc/05/49/81/569054981.db2.gz XBHQIULKOZHLCJ-AUSIDOKSSA-N 1 1 421.541 3.219 50 0 HGAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@H]2CCC[N@@H+]21 ZINC000247838407 569057515 /nfs/dbraw/zinc/05/75/15/569057515.db2.gz OIQLTZDNZIKXLG-YDSTWLSQSA-N 1 1 421.884 3.080 50 0 HGAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000247838407 569057516 /nfs/dbraw/zinc/05/75/16/569057516.db2.gz OIQLTZDNZIKXLG-YDSTWLSQSA-N 1 1 421.884 3.080 50 0 HGAAMO C[N@H+](CC(=O)OCc1nc(-c2ccc(Br)s2)no1)[C@@H]1CCSC1 ZINC000089340036 569058685 /nfs/dbraw/zinc/05/86/85/569058685.db2.gz DUYMUEOMVWMSBW-SECBINFHSA-N 1 1 418.338 3.041 50 0 HGAAMO C[N@@H+](CC(=O)OCc1nc(-c2ccc(Br)s2)no1)[C@@H]1CCSC1 ZINC000089340036 569058686 /nfs/dbraw/zinc/05/86/86/569058686.db2.gz DUYMUEOMVWMSBW-SECBINFHSA-N 1 1 418.338 3.041 50 0 HGAAMO CCNC(=O)[C@H]1Cc2ccc(OC)cc2N2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@H]12 ZINC000035871742 569064059 /nfs/dbraw/zinc/06/40/59/569064059.db2.gz XZKSEUOVYCDAFR-RBBKRZOGSA-N 1 1 413.949 3.348 50 0 HGAAMO Cc1sc(-c2ccco2)nc1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000089556201 569070239 /nfs/dbraw/zinc/07/02/39/569070239.db2.gz BJTHURNOIMYEGL-QZTJIDSGSA-N 1 1 411.527 3.324 50 0 HGAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1csc2c1CCN(Cc1c(C)noc1C)C2 ZINC000426730374 569074130 /nfs/dbraw/zinc/07/41/30/569074130.db2.gz HHZPPVCWUVPQOM-INIZCTEOSA-N 1 1 402.564 3.125 50 0 HGAAMO CCCC(=O)OC[C@@H](O)C[N@@H+](Cc1ccc(OC)cc1)Cc1ccc2c(c1)OCO2 ZINC000036102346 569091841 /nfs/dbraw/zinc/09/18/41/569091841.db2.gz FNSTYBILEJPEBS-IBGZPJMESA-N 1 1 415.486 3.130 50 0 HGAAMO COc1ccccc1N1CCN(C(=O)C2=CC[N@@H+](Cc3cccc(F)c3)CC2)CC1 ZINC000064818081 569101254 /nfs/dbraw/zinc/10/12/54/569101254.db2.gz GLTNHAMBXNFIQP-UHFFFAOYSA-N 1 1 409.505 3.315 50 0 HGAAMO CC(C)CC[N@@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)C[C@H](O)COC(C)C ZINC000036159166 569102564 /nfs/dbraw/zinc/10/25/64/569102564.db2.gz FJTOHHBIBVKRFX-HNNXBMFYSA-N 1 1 407.580 3.107 50 0 HGAAMO CC(C)CC[N@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)C[C@H](O)COC(C)C ZINC000036159166 569102566 /nfs/dbraw/zinc/10/25/66/569102566.db2.gz FJTOHHBIBVKRFX-HNNXBMFYSA-N 1 1 407.580 3.107 50 0 HGAAMO Cn1c(C(=O)NCCC[N@H+]2CCc3ccccc3C2)cc2c1c1ccccc1oc2=O ZINC000064838952 569106429 /nfs/dbraw/zinc/10/64/29/569106429.db2.gz AKYLMNCDOIREKP-UHFFFAOYSA-N 1 1 415.493 3.463 50 0 HGAAMO CC(C)(C)C(=O)N1CC[NH+]([C@@H](C(=O)N2CCc3ccccc3C2)C2CCCC2)CC1 ZINC000036250631 569119841 /nfs/dbraw/zinc/11/98/41/569119841.db2.gz SVFWQBQOLAZTEW-JOCHJYFZSA-N 1 1 411.590 3.320 50 0 HGAAMO Cc1ccc(S(=O)(=O)c2ccc(N3CC[NH+](C4CCCCC4)CC3)nn2)cc1C ZINC000064943010 569127527 /nfs/dbraw/zinc/12/75/27/569127527.db2.gz QCEBULZXVAAHGX-UHFFFAOYSA-N 1 1 414.575 3.381 50 0 HGAAMO CC[N@@H+](CCCNC(=O)c1ccc2c(c1)NC(=O)[C@H]1CCCN21)Cc1ccccc1 ZINC000006804036 569130685 /nfs/dbraw/zinc/13/06/85/569130685.db2.gz VJXRWOONGPXEKZ-JOCHJYFZSA-N 1 1 406.530 3.250 50 0 HGAAMO NC(=O)C1CC[NH+](CC(=O)N2N=C(c3ccccc3Cl)C[C@@H]2c2ccccc2)CC1 ZINC000036342369 569142171 /nfs/dbraw/zinc/14/21/71/569142171.db2.gz KBWOKQMLSGJLTJ-OAQYLSRUSA-N 1 1 424.932 3.215 50 0 HGAAMO Cc1c(C(=O)NCC[N@@H+]2CCCC[C@@H]2C)sc2nc3n(c(=O)c12)CCCCC3 ZINC000006840739 569151468 /nfs/dbraw/zinc/15/14/68/569151468.db2.gz JBCAQHSIIBFDCD-AWEZNQCLSA-N 1 1 402.564 3.097 50 0 HGAAMO Cc1c(C(=O)NCCC[N@@H+]2CCC[C@@H](C)C2)sc2nc3n(c(=O)c12)CCCCC3 ZINC000006840759 569151485 /nfs/dbraw/zinc/15/14/85/569151485.db2.gz QZZCFAOGXKISFY-OAHLLOKOSA-N 1 1 416.591 3.345 50 0 HGAAMO O=C(NCCC[NH+]1CCOCC1)c1cccc(-c2cnc(NC3CCCCC3)nc2)c1 ZINC000065025814 569156498 /nfs/dbraw/zinc/15/64/98/569156498.db2.gz ISRWYTPXDSLHMJ-UHFFFAOYSA-N 1 1 423.561 3.340 50 0 HGAAMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Cn2cccc(C(F)(F)F)c2=O)C1 ZINC000036390730 569166038 /nfs/dbraw/zinc/16/60/38/569166038.db2.gz IMRUZDXJRLHIMC-INIZCTEOSA-N 1 1 421.463 3.415 50 0 HGAAMO CCn1cc(CC[NH+]2CCN(C(=O)c3ccc(N(C)C)cc3)CC2)c2cccnc21 ZINC000065164624 569189375 /nfs/dbraw/zinc/18/93/75/569189375.db2.gz GCGPBVDKCAGJEI-UHFFFAOYSA-N 1 1 405.546 3.123 50 0 HGAAMO C[C@H](Oc1ccccc1)C(=O)N1CCN(c2nc(C[NH+]3CCCCC3)cs2)CC1 ZINC000065200512 569193841 /nfs/dbraw/zinc/19/38/41/569193841.db2.gz GAAVFVWAZHFVFP-SFHVURJKSA-N 1 1 414.575 3.245 50 0 HGAAMO CC(C)N1c2ccc(C(=O)N3CCC[N@@H+](C)CC3)cc2Sc2ncccc2C1=O ZINC000065241411 569204049 /nfs/dbraw/zinc/20/40/49/569204049.db2.gz XFESKBREGCQNJV-UHFFFAOYSA-N 1 1 410.543 3.379 50 0 HGAAMO CCC[NH+]1CCN(C(=O)c2ccc3c(c2)Sc2ncccc2C(=O)N3CC)CC1 ZINC000065241325 569204089 /nfs/dbraw/zinc/20/40/89/569204089.db2.gz ZPGAYTSKXNYSOO-UHFFFAOYSA-N 1 1 410.543 3.381 50 0 HGAAMO COc1ccc2[nH]c(=O)c(CCC(=O)NCCC[N@H+]3CCc4ccccc4C3)cc2c1 ZINC000065245552 569205317 /nfs/dbraw/zinc/20/53/17/569205317.db2.gz WVXSDIVYVPPPMW-UHFFFAOYSA-N 1 1 419.525 3.446 50 0 HGAAMO C[C@@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000065609775 569237533 /nfs/dbraw/zinc/23/75/33/569237533.db2.gz FLAOMGQMEJREFG-PGRDOPGGSA-N 1 1 413.587 3.422 50 0 HGAAMO C[C@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000065609776 569237674 /nfs/dbraw/zinc/23/76/74/569237674.db2.gz FLAOMGQMEJREFG-XMSQKQJNSA-N 1 1 413.587 3.422 50 0 HGAAMO O=C(CN1CC[NH+](CCOc2ccccc2)CC1)Nc1ccccc1N1CCCCC1 ZINC000170607366 569244497 /nfs/dbraw/zinc/24/44/97/569244497.db2.gz JDSFKVKABRRNOB-UHFFFAOYSA-N 1 1 422.573 3.312 50 0 HGAAMO CCOc1ccc(C(F)(F)F)cc1NC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](CC)C1 ZINC000089949208 569269755 /nfs/dbraw/zinc/26/97/55/569269755.db2.gz KXPVXTLLUPVLAV-HIFRSBDPSA-N 1 1 403.445 3.413 50 0 HGAAMO Cc1ccc(NC(=O)C(=O)NCCCC[N@@H+]2CCO[C@H](c3ccccc3)C2)cc1F ZINC000017120976 569275142 /nfs/dbraw/zinc/27/51/42/569275142.db2.gz DQACSSAWCJIFCV-NRFANRHFSA-N 1 1 413.493 3.043 50 0 HGAAMO Cc1ccc(NC(=O)C(=O)NCCCC[N@H+]2CCO[C@H](c3ccccc3)C2)cc1F ZINC000017120976 569275143 /nfs/dbraw/zinc/27/51/43/569275143.db2.gz DQACSSAWCJIFCV-NRFANRHFSA-N 1 1 413.493 3.043 50 0 HGAAMO CCCOc1ccc(N2C(=O)C[C@@H](NNc3[nH+]cc(Cl)cc3Cl)C2=O)cc1 ZINC000002192846 569293908 /nfs/dbraw/zinc/29/39/08/569293908.db2.gz LQKSBSHAIBDPLM-OAHLLOKOSA-N 1 1 409.273 3.426 50 0 HGAAMO COc1ccccc1CCNC(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000007684607 569300698 /nfs/dbraw/zinc/30/06/98/569300698.db2.gz LTYZYMBOQRMZPG-HXUWFJFHSA-N 1 1 410.514 3.352 50 0 HGAAMO COc1ccccc1CCNC(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000007684607 569300699 /nfs/dbraw/zinc/30/06/99/569300699.db2.gz LTYZYMBOQRMZPG-HXUWFJFHSA-N 1 1 410.514 3.352 50 0 HGAAMO O=C(C[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)Nc1ccc2c(c1)CCC2 ZINC000007875160 569314998 /nfs/dbraw/zinc/31/49/98/569314998.db2.gz XZPHSDAZCAHNRO-UHFFFAOYSA-N 1 1 421.497 3.193 50 0 HGAAMO Cc1cccc(C(=O)N2CCC3(CC2)C[C@H](N2CC[NH+](CC(C)C)CC2)CCO3)c1 ZINC000581819764 569320763 /nfs/dbraw/zinc/32/07/63/569320763.db2.gz JQNWIGCOBKRELE-HSZRJFAPSA-N 1 1 413.606 3.422 50 0 HGAAMO COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000002259953 569324967 /nfs/dbraw/zinc/32/49/67/569324967.db2.gz FJARGXHWAJTUOG-CQSZACIVSA-N 1 1 407.470 3.348 50 0 HGAAMO COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000002259953 569324968 /nfs/dbraw/zinc/32/49/68/569324968.db2.gz FJARGXHWAJTUOG-CQSZACIVSA-N 1 1 407.470 3.348 50 0 HGAAMO CCOc1cc(/C=C\C(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)ccc1OC(F)F ZINC000253388792 569364960 /nfs/dbraw/zinc/36/49/60/569364960.db2.gz XOONOSBGFTWWMK-YPLUBFQTSA-N 1 1 424.488 3.413 50 0 HGAAMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2ccc(-c3noc(C(F)F)n3)cc2)C[C@@H](C)O1 ZINC000253417861 569367583 /nfs/dbraw/zinc/36/75/83/569367583.db2.gz QRKUIVMOYPLFHK-CHWSQXEVSA-N 1 1 408.449 3.292 50 0 HGAAMO Cc1cc(C)c2[nH]c(C)c(C[NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)c(=O)c2c1 ZINC000019793696 569430115 /nfs/dbraw/zinc/43/01/15/569430115.db2.gz JIUSBVUYCQJCIY-UHFFFAOYSA-N 1 1 419.525 3.500 50 0 HGAAMO CSc1cccc(NC(=O)[C@H](C)NC(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000079490460 569432479 /nfs/dbraw/zinc/43/24/79/569432479.db2.gz PQXOHICQHKFFOD-KRWDZBQOSA-N 1 1 412.559 3.263 50 0 HGAAMO Cc1ccccc1[C@H]1CC[N@@H+](CCNC(=O)CCCn2cnc3ccccc3c2=O)C1 ZINC000670473487 571101985 /nfs/dbraw/zinc/10/19/85/571101985.db2.gz BHDRXTPLOKKFIC-FQEVSTJZSA-N 1 1 418.541 3.091 50 0 HGAAMO C[C@@H]1C[C@@H](C)C[NH+](Cc2csc(NC(=O)C3CCN(C(=O)C4CC4)CC3)n2)C1 ZINC000040037706 571141672 /nfs/dbraw/zinc/14/16/72/571141672.db2.gz YMRQDVDTDGEMJU-HUUCEWRRSA-N 1 1 404.580 3.208 50 0 HGAAMO CCC(CC)[C@H](CNC(=O)Cc1c(F)c(F)c(F)c(F)c1F)[NH+]1CCOCC1 ZINC000040087042 571157536 /nfs/dbraw/zinc/15/75/36/571157536.db2.gz VSRCOOVRSWKURU-ZDUSSCGKSA-N 1 1 408.411 3.178 50 0 HGAAMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H]1CCCN(c2cnccn2)C1 ZINC000040112351 571170473 /nfs/dbraw/zinc/17/04/73/571170473.db2.gz KPIAYDSUOSVHKF-DENIHFKCSA-N 1 1 407.562 3.384 50 0 HGAAMO COc1ccc(C[N@@H+](C[C@@H](O)COCc2ccccc2)C[C@H]2CCCO2)cc1OC ZINC000245279023 571222330 /nfs/dbraw/zinc/22/23/30/571222330.db2.gz ATUKVMYQOHLSII-FGZHOGPDSA-N 1 1 415.530 3.263 50 0 HGAAMO Cc1ccc(-n2c(CC(=O)NCC[N@@H+]3CCCC[C@H]3C)c3[nH]cccc-3c2=O)cc1 ZINC000245279074 571222415 /nfs/dbraw/zinc/22/24/15/571222415.db2.gz BPYJVMITHDWYSX-WIYYLYMNSA-N 1 1 406.530 3.472 50 0 HGAAMO Cc1nn([C@@H](C)C(=O)NCC[N@H+]2CCCC[C@H]2C)c(=O)c2c3ccccc3sc21 ZINC000245338871 571225641 /nfs/dbraw/zinc/22/56/41/571225641.db2.gz PAAARZPLPHHPHR-ZBFHGGJFSA-N 1 1 412.559 3.471 50 0 HGAAMO Cc1cc(=O)n2c(n1)NC(N1CCC(Cc3ccccc3)CC1)=[NH+][C@@H]2c1cccnc1 ZINC000009264560 571243983 /nfs/dbraw/zinc/24/39/83/571243983.db2.gz NAIHLQLVBJLREU-QFIPXVFZSA-N 1 1 414.513 3.230 50 0 HGAAMO O=C(NCC1(c2ccc3c(c2)OCO3)CCOCC1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000070038159 571254712 /nfs/dbraw/zinc/25/47/12/571254712.db2.gz ZSJLHQBCNZFGAY-NRFANRHFSA-N 1 1 422.525 3.244 50 0 HGAAMO Cc1noc(C)c1S(=O)(=O)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000004365127 132275778 /nfs/dbraw/zinc/27/57/78/132275778.db2.gz SCUDOKYYIOYVIO-UHFFFAOYSA-N 1 1 406.895 3.004 50 0 HGAAMO CC(C)Sc1nc2c3c(sc2c(N2CC[NH+](CCO)CC2)n1)CC(C)(C)OC3 ZINC000020591312 519788516 /nfs/dbraw/zinc/78/85/16/519788516.db2.gz MCOFQWYAQMHBMP-UHFFFAOYSA-N 1 1 422.620 3.157 50 0 HGAAMO CC(C)c1ccc(C[NH+]2CCN(C(=O)C3CCN(c4ncccn4)CC3)CC2)cc1 ZINC000032928337 519836092 /nfs/dbraw/zinc/83/60/92/519836092.db2.gz ABEGBBIBPMIWIC-UHFFFAOYSA-N 1 1 407.562 3.161 50 0 HGAAMO CCOc1ccc([C@H]2CCC[N@@H+]2CC(=O)N(CCC(N)=O)c2ccc(F)cc2)cc1 ZINC000032773047 521272649 /nfs/dbraw/zinc/27/26/49/521272649.db2.gz NAWHXTYHZGMCPT-OAQYLSRUSA-N 1 1 413.493 3.270 50 0 HGAAMO CCOc1ccc([C@H]2CCC[N@H+]2CC(=O)N(CCC(N)=O)c2ccc(F)cc2)cc1 ZINC000032773047 521272655 /nfs/dbraw/zinc/27/26/55/521272655.db2.gz NAWHXTYHZGMCPT-OAQYLSRUSA-N 1 1 413.493 3.270 50 0 HGAAMO CCn1cc(CN2CCC[C@H]([N@@H+](C)CCc3ccc(OC)c(OC)c3)C2)c(C)n1 ZINC000020598781 523372633 /nfs/dbraw/zinc/37/26/33/523372633.db2.gz YYZIEBBJBGJZLY-NRFANRHFSA-N 1 1 400.567 3.368 50 0 HGAAMO Cc1cc(C)n([C@@H](C)CC(=O)NCC[NH+]2CCN(c3cc(Cl)ccc3C)CC2)n1 ZINC000020603288 524549459 /nfs/dbraw/zinc/54/94/59/524549459.db2.gz ZUUOKSJOXOIPQS-IBGZPJMESA-N 1 1 417.985 3.351 50 0 HGAAMO Cc1cccn2c(C[N@H+]3CC[C@H](c4ccc(F)cc4)C3)c(C(=O)N3CCOCC3)nc12 ZINC000020539497 525462872 /nfs/dbraw/zinc/46/28/72/525462872.db2.gz OXOKFEBQEJEQEY-IBGZPJMESA-N 1 1 422.504 3.244 50 0 HGAAMO O=C(CCCNC(=O)c1ccco1)N1CC[NH+](Cc2csc3ccccc23)CC1 ZINC000032757212 526442274 /nfs/dbraw/zinc/44/22/74/526442274.db2.gz PAWYICOQIGEQGG-UHFFFAOYSA-N 1 1 411.527 3.349 50 0 HGAAMO Cc1noc2nc(-c3cccs3)cc(C(=O)NC[C@H](C(C)C)[NH+]3CCOCC3)c12 ZINC000032298531 526677451 /nfs/dbraw/zinc/67/74/51/526677451.db2.gz LICGOGBMUZNDNV-QGZVFWFLSA-N 1 1 414.531 3.346 50 0 HGAAMO COc1ccc(-n2c(=O)c3c(nc2N2CC[NH+](C)CC2)sc2c3CCCCC2)cc1 ZINC000002365851 536550270 /nfs/dbraw/zinc/55/02/70/536550270.db2.gz NTPAWLKPCLLDPC-UHFFFAOYSA-N 1 1 424.570 3.477 50 0 HGAAMO COc1cccc(N2CC[N@@H+](CCc3cc(OC)c(OC)c(OC)c3)C[C@H]2C)c1 ZINC000005336089 537122503 /nfs/dbraw/zinc/12/25/03/537122503.db2.gz MIQBLSKRKGUUOS-QGZVFWFLSA-N 1 1 400.519 3.474 50 0 HGAAMO O=C(NCc1cccnc1)c1ccc(C[NH+]2CCN(c3ccccc3F)CC2)cc1 ZINC000034668386 557361981 /nfs/dbraw/zinc/36/19/81/557361981.db2.gz GUAXWFYHTKCVRZ-UHFFFAOYSA-N 1 1 404.489 3.473 50 0 HGAAMO COCCN(C[C@H]1C[N@@H+](Cc2cccs2)C[C@@H]1c1ccc(C)cc1)C(=O)COC ZINC000034740441 557443796 /nfs/dbraw/zinc/44/37/96/557443796.db2.gz IEUKMFGNDISNEL-IFMALSPDSA-N 1 1 416.587 3.394 50 0 HGAAMO CC[NH+]1CCN(C(=O)c2nc(CCc3ccccc3)n(-c3ccccc3C)n2)CC1 ZINC000034911863 557476571 /nfs/dbraw/zinc/47/65/71/557476571.db2.gz DQDAXFDXXHTICQ-UHFFFAOYSA-N 1 1 403.530 3.139 50 0 HGAAMO CCOC(=O)c1c(C)n(C)c2ccc(OC[C@@H](O)C[N@H+]3CCc4ccccc4C3)cc21 ZINC000009970621 557852434 /nfs/dbraw/zinc/85/24/34/557852434.db2.gz TUPOTXLSGDRCON-FQEVSTJZSA-N 1 1 422.525 3.461 50 0 HGAAMO CCOc1ccc(C[N@@H+]2CCN(Cc3ccc4nsnc4c3)C[C@@H]2CCO)cc1 ZINC000019740590 558261363 /nfs/dbraw/zinc/26/13/63/558261363.db2.gz DLSYUQVALNDSKU-IBGZPJMESA-N 1 1 412.559 3.159 50 0 HGAAMO CCOc1ccc(C[N@H+]2CCN(Cc3ccc4nsnc4c3)C[C@@H]2CCO)cc1 ZINC000019740590 558261364 /nfs/dbraw/zinc/26/13/64/558261364.db2.gz DLSYUQVALNDSKU-IBGZPJMESA-N 1 1 412.559 3.159 50 0 HGAAMO COc1ccc(C[N@H+]2CCN(Cc3cccn3-c3cccnc3)C[C@@H]2CCO)cc1C ZINC000019744949 558265537 /nfs/dbraw/zinc/26/55/37/558265537.db2.gz SZXXILOMQZVZDN-QHCPKHFHSA-N 1 1 420.557 3.258 50 0 HGAAMO CCCCn1c(CN(C)C[C@@H]2CCC[N@H+]2C)cnc1S(=O)(=O)CCCC(C)C ZINC000019770703 558279403 /nfs/dbraw/zinc/27/94/03/558279403.db2.gz VSWCEVUSQCXKGY-IBGZPJMESA-N 1 1 412.644 3.419 50 0 HGAAMO COc1ccc2ccccc2c1C[N@@H+]1CCc2nnc([C@H](C)NC(=O)C(C)C)n2CC1 ZINC000011839394 558285934 /nfs/dbraw/zinc/28/59/34/558285934.db2.gz COSSGTFHKRHDJQ-KRWDZBQOSA-N 1 1 421.545 3.331 50 0 HGAAMO O=C(COc1ccc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)cc1)N1CCCC1 ZINC000019831089 558291494 /nfs/dbraw/zinc/29/14/94/558291494.db2.gz YGMIHUNTWRRKAH-UHFFFAOYSA-N 1 1 423.582 3.181 50 0 HGAAMO O=C(NCc1ccon1)C1CC[NH+](C2CCN(CCCc3ccccc3)CC2)CC1 ZINC000011878605 558293007 /nfs/dbraw/zinc/29/30/07/558293007.db2.gz BJYNLSXUOMWHPQ-UHFFFAOYSA-N 1 1 410.562 3.100 50 0 HGAAMO C[N@H+](Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2)C[C@@H]1COCCO1 ZINC000011879148 558293605 /nfs/dbraw/zinc/29/36/05/558293605.db2.gz UYYXMDYYXMZJLO-OAQYLSRUSA-N 1 1 421.497 3.174 50 0 HGAAMO Cc1cnc(CNC(=O)c2cc(C[NH+]3CCC(Cc4ccccc4)CC3)on2)cn1 ZINC000012049770 558313557 /nfs/dbraw/zinc/31/35/57/558313557.db2.gz OYIIQNCEDSGJBY-UHFFFAOYSA-N 1 1 405.502 3.158 50 0 HGAAMO Cc1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)cc1N1CCNC1=O ZINC000012050361 558313871 /nfs/dbraw/zinc/31/38/71/558313871.db2.gz VCBRDUDKKNSQMY-QFIPXVFZSA-N 1 1 420.557 3.304 50 0 HGAAMO COc1ccc(CC[N@@H+](C)[C@@H]2CCCN(C3CSCCSC3)C2)cc1OC ZINC000020201402 558345577 /nfs/dbraw/zinc/34/55/77/558345577.db2.gz CRXHCHWDTCZWTH-GOSISDBHSA-N 1 1 410.649 3.491 50 0 HGAAMO COc1ccc(CCN(C)[C@@H]2CCC[N@@H+](C3CSCCSC3)C2)cc1OC ZINC000020201402 558345579 /nfs/dbraw/zinc/34/55/79/558345579.db2.gz CRXHCHWDTCZWTH-GOSISDBHSA-N 1 1 410.649 3.491 50 0 HGAAMO COc1ccc(CCN(C)[C@@H]2CCC[N@H+](C3CSCCSC3)C2)cc1OC ZINC000020201402 558345582 /nfs/dbraw/zinc/34/55/82/558345582.db2.gz CRXHCHWDTCZWTH-GOSISDBHSA-N 1 1 410.649 3.491 50 0 HGAAMO COc1ccc(C[N@@H+]2CCc3nnc([C@H](C)NC(=O)C(C)C)n3CC2)c2ccccc12 ZINC000012281202 558365204 /nfs/dbraw/zinc/36/52/04/558365204.db2.gz HSUIGNNTKNPLQR-KRWDZBQOSA-N 1 1 421.545 3.331 50 0 HGAAMO COc1ccccc1N1CCN([C@@H]2CCC[N@@H+](Cc3cccc4c3OCO4)C2)CC1 ZINC000020451278 558365762 /nfs/dbraw/zinc/36/57/62/558365762.db2.gz ZCUYOWCTAUUJJV-HXUWFJFHSA-N 1 1 409.530 3.211 50 0 HGAAMO COc1ccccc1N1CC[NH+]([C@@H]2CCCN(Cc3cccc4c3OCO4)C2)CC1 ZINC000020451278 558365764 /nfs/dbraw/zinc/36/57/64/558365764.db2.gz ZCUYOWCTAUUJJV-HXUWFJFHSA-N 1 1 409.530 3.211 50 0 HGAAMO O=C(CC[C@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000020455185 558369053 /nfs/dbraw/zinc/36/90/53/558369053.db2.gz VVISKCLLOHHJGG-HSZRJFAPSA-N 1 1 406.574 3.418 50 0 HGAAMO COC(=O)c1[nH]c2cccc(C)c2c1NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000020477330 558374409 /nfs/dbraw/zinc/37/44/09/558374409.db2.gz MTMZHFFEHIBSOB-UHFFFAOYSA-N 1 1 420.513 3.019 50 0 HGAAMO COc1cccc(C(=O)NC[C@H]2CCC[N@H+](Cc3nc4ccccc4[nH]3)C2)c1OC ZINC000012306229 558375012 /nfs/dbraw/zinc/37/50/12/558375012.db2.gz YUKDYGZZQZKMOO-MRXNPFEDSA-N 1 1 408.502 3.222 50 0 HGAAMO COc1cccc(C(=O)NC[C@H]2CCC[N@@H+](Cc3nc4ccccc4[nH]3)C2)c1OC ZINC000012306229 558375015 /nfs/dbraw/zinc/37/50/15/558375015.db2.gz YUKDYGZZQZKMOO-MRXNPFEDSA-N 1 1 408.502 3.222 50 0 HGAAMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3F)C2)cc1 ZINC000012307126 558375900 /nfs/dbraw/zinc/37/59/00/558375900.db2.gz PWORMTILDJAMSF-HXUWFJFHSA-N 1 1 420.488 3.375 50 0 HGAAMO CCN1CC[NH+](CCc2nc3cc(NC(=O)Nc4ccccc4)ccc3n2C)CC1 ZINC000020533486 558384577 /nfs/dbraw/zinc/38/45/77/558384577.db2.gz NSBQHSBWLSMRSV-UHFFFAOYSA-N 1 1 406.534 3.397 50 0 HGAAMO Cc1cccc(NC(=O)CN2CC[NH+](CCC(=O)Nc3ccccc3F)CC2)c1C ZINC000022930838 558397310 /nfs/dbraw/zinc/39/73/10/558397310.db2.gz YPDBDDCXJOTAFO-UHFFFAOYSA-N 1 1 412.509 3.027 50 0 HGAAMO O=C(Cc1cnc(-c2ccccc2F)s1)N1CC[NH+](CCc2ccncc2)CC1 ZINC000020677376 558400334 /nfs/dbraw/zinc/40/03/34/558400334.db2.gz BWBYDNLUEYIFAJ-UHFFFAOYSA-N 1 1 410.518 3.274 50 0 HGAAMO CN(Cc1cnc(N2CCOCC2)s1)[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000020782951 558413108 /nfs/dbraw/zinc/41/31/08/558413108.db2.gz RKDUHMLSVWGTNS-HXUWFJFHSA-N 1 1 412.603 3.043 50 0 HGAAMO COC(=O)c1ccc(-c2noc(C[NH+]3CCC(OCc4cccnc4)CC3)n2)cc1 ZINC000012460167 558419116 /nfs/dbraw/zinc/41/91/16/558419116.db2.gz AZTLTVCABQRSLY-UHFFFAOYSA-N 1 1 408.458 3.099 50 0 HGAAMO CCOC(=O)N1CCN([C@@H]2CCC[N@H+](Cc3nc(-c4cccs4)oc3C)C2)CC1 ZINC000020877880 558419682 /nfs/dbraw/zinc/41/96/82/558419682.db2.gz QGGJOZXIBQOTJB-QGZVFWFLSA-N 1 1 418.563 3.450 50 0 HGAAMO CCOC(=O)N1CCN([C@@H]2CCC[N@@H+](Cc3nc(-c4cccs4)oc3C)C2)CC1 ZINC000020877880 558419686 /nfs/dbraw/zinc/41/96/86/558419686.db2.gz QGGJOZXIBQOTJB-QGZVFWFLSA-N 1 1 418.563 3.450 50 0 HGAAMO CC(C)c1ccc(C[N@@H+]2CCc3nnc(CCNC(=O)c4ccco4)n3CC2)cc1 ZINC000020995873 558426872 /nfs/dbraw/zinc/42/68/72/558426872.db2.gz QCFQSCKROTWEHG-UHFFFAOYSA-N 1 1 407.518 3.025 50 0 HGAAMO Cc1ccccc1CNC(=O)c1coc(CN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000020996111 558426894 /nfs/dbraw/zinc/42/68/94/558426894.db2.gz LZIZLBSSLFDBJC-UHFFFAOYSA-N 1 1 404.514 3.231 50 0 HGAAMO O=C(CC[NH+]1CCOCC1)NCc1cccnc1Oc1cccc(C(F)(F)F)c1 ZINC000020997665 558427114 /nfs/dbraw/zinc/42/71/14/558427114.db2.gz SDPFQXUZPLYJBE-UHFFFAOYSA-N 1 1 409.408 3.231 50 0 HGAAMO Cc1nnc(CN(C)Cc2cccc(OC[C@H](O)C[N@@H+](C)C3CCCCC3)c2)o1 ZINC000012570744 558428675 /nfs/dbraw/zinc/42/86/75/558428675.db2.gz JMSBTZJZUREUFU-HXUWFJFHSA-N 1 1 402.539 3.014 50 0 HGAAMO OC[C@]1(Cc2cccc(Cl)c2)CCC[N@@H+](Cc2cnc(N3CCOCC3)s2)C1 ZINC000012588902 558435125 /nfs/dbraw/zinc/43/51/25/558435125.db2.gz PMABQWXAZVEHMT-NRFANRHFSA-N 1 1 421.994 3.450 50 0 HGAAMO CCOC(=O)C1(Cc2ccc(OC)cc2)CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC000012596765 558438209 /nfs/dbraw/zinc/43/82/09/558438209.db2.gz AVLAVVRMBHHQLZ-NRFANRHFSA-N 1 1 416.562 3.284 50 0 HGAAMO Cc1nn2c(nc(C(C)(C)C)cc2N2CC[NH+](CCO)CC2)c1-c1ccc(F)cc1 ZINC000021799290 558449897 /nfs/dbraw/zinc/44/98/97/558449897.db2.gz DATULTRLSXXEHF-UHFFFAOYSA-N 1 1 411.525 3.256 50 0 HGAAMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1c[nH]c(=S)n1-c1ccccc1 ZINC000021936206 558456126 /nfs/dbraw/zinc/45/61/26/558456126.db2.gz AXUQYEJTOOJQSL-UHFFFAOYSA-N 1 1 408.527 3.297 50 0 HGAAMO CCOC(=O)c1c(NC(=O)CN2CC[NH+](C)CC2)sc(C)c1-c1ccc(C)cc1 ZINC000022039105 558459619 /nfs/dbraw/zinc/45/96/19/558459619.db2.gz GVKKVMHBZNJMRU-UHFFFAOYSA-N 1 1 415.559 3.395 50 0 HGAAMO Cc1nn([C@@H](C)C(=O)N2CC[NH+](Cc3ccc(C)cc3)CC2)cc1Br ZINC000022418593 558488513 /nfs/dbraw/zinc/48/85/13/558488513.db2.gz JJVBUJQSGWNKHF-INIZCTEOSA-N 1 1 405.340 3.168 50 0 HGAAMO CCC(CC)[C@H](CNC(=O)c1cc(F)ccc1Br)[NH+]1CCOCC1 ZINC000022755756 558508144 /nfs/dbraw/zinc/50/81/44/558508144.db2.gz OBQMJIBEJIXEOK-KRWDZBQOSA-N 1 1 401.320 3.455 50 0 HGAAMO Cc1ccc(C[N@@H+]2CCN(Cc3cnn(-c4ccc(Cl)cc4)c3)C[C@@H]2CCO)o1 ZINC000022920208 558522589 /nfs/dbraw/zinc/52/25/89/558522589.db2.gz LRHUBNUJKCQTQJ-NRFANRHFSA-N 1 1 414.937 3.496 50 0 HGAAMO Cc1ccc(C[N@H+]2CCN(Cc3cnn(-c4ccc(Cl)cc4)c3)C[C@@H]2CCO)o1 ZINC000022920208 558522590 /nfs/dbraw/zinc/52/25/90/558522590.db2.gz LRHUBNUJKCQTQJ-NRFANRHFSA-N 1 1 414.937 3.496 50 0 HGAAMO CC(=O)c1ccc(N2CC[NH+](C[C@@H](O)CO[C@@H]3CCCc4ccccc43)CC2)cc1 ZINC000023409371 558557204 /nfs/dbraw/zinc/55/72/04/558557204.db2.gz OGWTUTVQGZESEI-ILBGXUMGSA-N 1 1 408.542 3.466 50 0 HGAAMO C[NH+]1CCN(CC(=O)Nc2ccc(Oc3ccc(Br)cc3)cc2)CC1 ZINC000023467761 558558975 /nfs/dbraw/zinc/55/89/75/558558975.db2.gz BFIYVULCTOOZBM-UHFFFAOYSA-N 1 1 404.308 3.427 50 0 HGAAMO O=C(Cc1ccc(-c2ccccc2)cc1)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000023894674 558580691 /nfs/dbraw/zinc/58/06/91/558580691.db2.gz HAABXJYDTDDAMY-UHFFFAOYSA-N 1 1 415.541 3.015 50 0 HGAAMO O=C(c1ccc(Cn2nnc3ccccc32)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000024045434 558586319 /nfs/dbraw/zinc/58/63/19/558586319.db2.gz NBMITWSRCRWIPR-UHFFFAOYSA-N 1 1 411.509 3.438 50 0 HGAAMO O=C(c1ccc(-c2nn[nH]n2)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000014141933 558625275 /nfs/dbraw/zinc/62/52/75/558625275.db2.gz QWRIHRGBBFFGMO-UHFFFAOYSA-N 1 1 424.508 3.414 50 0 HGAAMO CC(C)CC[C@H](C)[N@@H+](C[C@@H](O)COCc1ccco1)C[C@H](O)COCc1ccco1 ZINC000025051837 558628829 /nfs/dbraw/zinc/62/88/29/558628829.db2.gz GMVQJAPQQYZGFA-PCCBWWKXSA-N 1 1 423.550 3.455 50 0 HGAAMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000014184205 558629637 /nfs/dbraw/zinc/62/96/37/558629637.db2.gz WGDVCZQOANVJFO-JOCHJYFZSA-N 1 1 409.505 3.069 50 0 HGAAMO COc1ccc([C@@H]2CCCCC[N@H+]2C[C@@H](O)CN2C(=O)c3ccccc3C2=O)cc1 ZINC000025231751 558635367 /nfs/dbraw/zinc/63/53/67/558635367.db2.gz DHLQMQQQQLGETD-GCJKJVERSA-N 1 1 408.498 3.269 50 0 HGAAMO COc1ccc(C[N@@H+](C)CCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1OC ZINC000026901020 558666667 /nfs/dbraw/zinc/66/66/67/558666667.db2.gz RQGZAMNLOCUXOP-UHFFFAOYSA-N 1 1 415.509 3.014 50 0 HGAAMO O=C(COc1c(F)c(F)c(F)c(F)c1F)N1CC[NH+](Cc2ccccc2)CC1 ZINC000027020217 558668470 /nfs/dbraw/zinc/66/84/70/558668470.db2.gz JJWLTZVDVPXLMM-UHFFFAOYSA-N 1 1 400.347 3.105 50 0 HGAAMO Cc1nnc([C@@H](C)NC(=O)C2([N@@H+](C)CCc3ccccc3)Cc3ccccc3C2)[nH]1 ZINC000015073484 558714181 /nfs/dbraw/zinc/71/41/81/558714181.db2.gz QJZAKVKFNGNIQQ-QGZVFWFLSA-N 1 1 403.530 3.002 50 0 HGAAMO Cc1nc([C@@H](C)NC(=O)C2([N@H+](C)CCc3ccccc3)Cc3ccccc3C2)n[nH]1 ZINC000015073484 558714183 /nfs/dbraw/zinc/71/41/83/558714183.db2.gz QJZAKVKFNGNIQQ-QGZVFWFLSA-N 1 1 403.530 3.002 50 0 HGAAMO Cc1nc([C@@H](C)NC(=O)C2([N@@H+](C)CCc3ccccc3)Cc3ccccc3C2)n[nH]1 ZINC000015073484 558714186 /nfs/dbraw/zinc/71/41/86/558714186.db2.gz QJZAKVKFNGNIQQ-QGZVFWFLSA-N 1 1 403.530 3.002 50 0 HGAAMO O=C(CNC(=O)c1ccc2ccccc2c1)NCCC[N@H+]1CCc2ccccc2C1 ZINC000029840018 558722173 /nfs/dbraw/zinc/72/21/73/558722173.db2.gz OUBOMKAJMYSUAP-UHFFFAOYSA-N 1 1 401.510 3.134 50 0 HGAAMO CCS[C@@H]1CC[C@H]([N@@H+](C)CC(=O)NCc2ccccc2CN2CCCC2=O)C1 ZINC000072304991 558756785 /nfs/dbraw/zinc/75/67/85/558756785.db2.gz HHPIENICULYOPB-VQTJNVASSA-N 1 1 403.592 3.031 50 0 HGAAMO CCc1noc(-c2ccc(OCC(=O)N3CC[NH+](Cc4ccccc4)CC3)cc2)n1 ZINC000033012639 558759762 /nfs/dbraw/zinc/75/97/62/558759762.db2.gz WGLYZCDENRJZCV-UHFFFAOYSA-N 1 1 406.486 3.022 50 0 HGAAMO COC[C@H](C)[NH+]1CCN(CC(=O)c2cc(C)n(CCc3cccs3)c2C)CC1 ZINC000072308089 558767804 /nfs/dbraw/zinc/76/78/04/558767804.db2.gz SLJIXLIQBKHWPO-SFHVURJKSA-N 1 1 403.592 3.244 50 0 HGAAMO Cc1ccc([C@H](CNC(=O)COc2ccc(Cl)c(C)c2)N2CC[NH+](C)CC2)o1 ZINC000022938382 558770931 /nfs/dbraw/zinc/77/09/31/558770931.db2.gz CTLRSUYJRJLORX-IBGZPJMESA-N 1 1 405.926 3.034 50 0 HGAAMO CCOC(=O)c1sc2[nH]c([C@@H](C)[NH2+]Cc3ccc4c(c3)OCO4)nc(=O)c2c1C ZINC000034866244 558785931 /nfs/dbraw/zinc/78/59/31/558785931.db2.gz NNHRUDJXYMAGOO-LLVKDONJSA-N 1 1 415.471 3.049 50 0 HGAAMO CCOc1ccc(OCC[N@@H+]2CCCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000016427196 558790689 /nfs/dbraw/zinc/79/06/89/558790689.db2.gz FLSZPZMMHHDPQQ-UHFFFAOYSA-N 1 1 418.559 3.169 50 0 HGAAMO CCOc1ccc(OCC[N@H+]2CCCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000016427196 558790693 /nfs/dbraw/zinc/79/06/93/558790693.db2.gz FLSZPZMMHHDPQQ-UHFFFAOYSA-N 1 1 418.559 3.169 50 0 HGAAMO CCCC(=O)OC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(OC)c(OC)c1 ZINC000036095779 558797637 /nfs/dbraw/zinc/79/76/37/558797637.db2.gz YWZVMCXBNCBSLJ-HXUWFJFHSA-N 1 1 401.503 3.410 50 0 HGAAMO CCOc1ccc(NC2CC[NH+]([C@H]3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)cc1 ZINC000018217919 558833879 /nfs/dbraw/zinc/83/38/79/558833879.db2.gz LTAVZZWYYZPJAC-NRFANRHFSA-N 1 1 411.477 3.433 50 0 HGAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cccc(NC(=O)c2nnc(C)s2)c1 ZINC000033022598 558837750 /nfs/dbraw/zinc/83/77/50/558837750.db2.gz LBTDJUDERZWUQF-GOSISDBHSA-N 1 1 415.563 3.483 50 0 HGAAMO Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CCCc3ccccc3)C2)cc1N1CCNC1=O ZINC000067973848 558862277 /nfs/dbraw/zinc/86/22/77/558862277.db2.gz SUYVXNGDZUXXKL-JOCHJYFZSA-N 1 1 420.557 3.352 50 0 HGAAMO COC(=O)[C@]1(C)C[C@H](C(=O)N(C)Cc2ccncc2C)[C@H](c2ccccc2C)[N@H+]1C ZINC000055060817 558871316 /nfs/dbraw/zinc/87/13/16/558871316.db2.gz AQMJSPWBORZUGE-HFMPRLQTSA-N 1 1 409.530 3.282 50 0 HGAAMO CCCCN(C)C(=O)c1nc2ccccn2c1C[N@H+](C)Cc1ccc2nonc2c1 ZINC000055282997 558878447 /nfs/dbraw/zinc/87/84/47/558878447.db2.gz SZNDJOWNGZLERF-UHFFFAOYSA-N 1 1 406.490 3.375 50 0 HGAAMO CCCCN(C)C(=O)c1nc2ccccn2c1C[N@@H+](C)Cc1ccc2nonc2c1 ZINC000055282997 558878448 /nfs/dbraw/zinc/87/84/48/558878448.db2.gz SZNDJOWNGZLERF-UHFFFAOYSA-N 1 1 406.490 3.375 50 0 HGAAMO CCOc1cc(/C=C/C(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)ccc1OC(F)F ZINC000058017756 558895650 /nfs/dbraw/zinc/89/56/50/558895650.db2.gz XOONOSBGFTWWMK-PDFOZTTASA-N 1 1 424.488 3.413 50 0 HGAAMO COc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(C(N)=O)CC2)cc1Cl ZINC000058175575 558909512 /nfs/dbraw/zinc/90/95/12/558909512.db2.gz LRKOYXASIBWSDH-LJQANCHMSA-N 1 1 401.894 3.226 50 0 HGAAMO CC(C)N1C[C@@H](CCN2CC[NH+](C)CC2)C(c2ccccc2)(c2ccccc2)C1=O ZINC000071769348 558910897 /nfs/dbraw/zinc/91/08/97/558910897.db2.gz QVBQPQLUNIZAEJ-XMMPIXPASA-N 1 1 405.586 3.477 50 0 HGAAMO C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@H+]1CCC[C@H](C(=O)N(C)C)C1 ZINC000058215694 558912363 /nfs/dbraw/zinc/91/23/63/558912363.db2.gz FPJRZUDGFHBPHE-ICSRJNTNSA-N 1 1 409.530 3.393 50 0 HGAAMO CCc1ccc(C(=O)N2CCN(c3cc(-n4cnc(C)c4C)nc(C)[nH+]3)CC2)cc1 ZINC000072117357 558927245 /nfs/dbraw/zinc/92/72/45/558927245.db2.gz YPPPMHBUGQIBEB-UHFFFAOYSA-N 1 1 404.518 3.112 50 0 HGAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)CCc1nnc(C(=O)Nc2ccccc2)s1 ZINC000033061684 558955256 /nfs/dbraw/zinc/95/52/56/558955256.db2.gz IGXNEFKRKRNOKA-INIZCTEOSA-N 1 1 415.563 3.104 50 0 HGAAMO Cc1ncn(-c2cc(N3CCN(C(=O)Nc4ccccc4F)CC3)[nH+]c(C)n2)c1C ZINC000072437539 558980808 /nfs/dbraw/zinc/98/08/08/558980808.db2.gz PDEHIWVCCMQFAI-UHFFFAOYSA-N 1 1 409.469 3.081 50 0 HGAAMO Cc1cc(Br)ccc1NC(=O)CCc1nc(C2=CC[N@@H+](C)CC2)no1 ZINC000033069122 558983338 /nfs/dbraw/zinc/98/33/38/558983338.db2.gz FFSGNZAGNQZCQW-UHFFFAOYSA-N 1 1 405.296 3.431 50 0 HGAAMO O[C@@H](COc1ccc(-c2ccccc2)cc1)C[N@H+]1CCCN(c2ncccn2)CC1 ZINC000072405730 558984783 /nfs/dbraw/zinc/98/47/83/558984783.db2.gz VCNNPYADKSFNCF-JOCHJYFZSA-N 1 1 404.514 3.096 50 0 HGAAMO C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000022056406 558986044 /nfs/dbraw/zinc/98/60/44/558986044.db2.gz NHDGPRQUKLTQJY-NFBKMPQASA-N 1 1 407.558 3.077 50 0 HGAAMO Cc1[nH]c(=O)[nH]c(=O)c1C[N@H+]1CCC[C@@H](C(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000067757698 558992449 /nfs/dbraw/zinc/99/24/49/558992449.db2.gz FKXSSXUYNAYXFU-HXUWFJFHSA-N 1 1 403.482 3.134 50 0 HGAAMO C[N@@H+](CCCN1CC2(CCN(C(=O)c3ccccn3)CC2)OC1=O)C1CCCCC1 ZINC000077472273 559006670 /nfs/dbraw/zinc/00/66/70/559006670.db2.gz AKRGLMRXSXSKOG-UHFFFAOYSA-N 1 1 414.550 3.163 50 0 HGAAMO C/C=C/c1ccc(OC[C@@H](O)C[NH+]2CCN(c3ccccc3OC)CC2)c(OC)c1 ZINC000023115565 559012892 /nfs/dbraw/zinc/01/28/92/559012892.db2.gz GFJKXMLUPKKHHD-PDGUBNMISA-N 1 1 412.530 3.299 50 0 HGAAMO CCc1ccc(CN2CCC([N@H+]3CCC[C@H](C(=O)NCc4cccnc4)C3)CC2)nc1 ZINC000082100037 559038070 /nfs/dbraw/zinc/03/80/70/559038070.db2.gz KORZEEMCFFGFJK-QFIPXVFZSA-N 1 1 421.589 3.032 50 0 HGAAMO CC(C)SCCNC(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082107905 559038463 /nfs/dbraw/zinc/03/84/63/559038463.db2.gz FXBLNFVEWFWRIS-HXUWFJFHSA-N 1 1 404.624 3.016 50 0 HGAAMO O=C(C[N@@H+](C[C@H]1CCOC1)C1CC1)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000247726315 559077995 /nfs/dbraw/zinc/07/79/95/559077995.db2.gz CXIZJYGEFJRNDW-DYESRHJHSA-N 1 1 405.970 3.094 50 0 HGAAMO O=C([O-])CC[C@@H]1CN(c2cc[nH+]c3cc(Cl)ccc32)CC[C@@H]1[NH+]1CCOCC1 ZINC000095381046 559080554 /nfs/dbraw/zinc/08/05/54/559080554.db2.gz QEOMOJLCHAEBSX-BEFAXECRSA-N 1 1 403.910 3.280 50 0 HGAAMO Cc1c2ccccc2[nH]c1C[NH+]1CCC2(CC1)c1[nH]cnc1CCN2C(=O)C1CC1 ZINC000095498080 559081665 /nfs/dbraw/zinc/08/16/65/559081665.db2.gz BCMHHEBQPWADRF-UHFFFAOYSA-N 1 1 403.530 3.485 50 0 HGAAMO CC(C)OC(=O)N1CCC[C@H](CCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000095531175 559086807 /nfs/dbraw/zinc/08/68/07/559086807.db2.gz CGIMNVSEJYCUET-OAQYLSRUSA-N 1 1 401.551 3.368 50 0 HGAAMO C[NH+](C)Cc1cc(NC(=O)[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)ccn1 ZINC000408518010 559213008 /nfs/dbraw/zinc/21/30/08/559213008.db2.gz RPOOTBFHYSTGRY-GFCCVEGCSA-N 1 1 407.301 3.442 50 0 HGAAMO Cc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCCC[N@@H+]2CCC[C@@H](C)C2)o1 ZINC000005042775 559236088 /nfs/dbraw/zinc/23/60/88/559236088.db2.gz OTKOUSRRUMNYLV-QGZVFWFLSA-N 1 1 418.559 3.414 50 0 HGAAMO Cc1cc(CN2CCC(Oc3ccc(C(=O)NCc4ccncc4)cc3)CC2)n[nH]1 ZINC000011819529 559260466 /nfs/dbraw/zinc/26/04/66/559260466.db2.gz WANUQRALCYDLOV-UHFFFAOYSA-N 1 1 405.502 3.087 50 0 HGAAMO Cc1cc(C[NH+]2CCC(Oc3ccc(C(=O)NCc4ccncc4)cc3)CC2)[nH]n1 ZINC000011819529 559260468 /nfs/dbraw/zinc/26/04/68/559260468.db2.gz WANUQRALCYDLOV-UHFFFAOYSA-N 1 1 405.502 3.087 50 0 HGAAMO C/C=C(\C)C[N@@H+]1CCc2c(C(=O)N(C)[C@@H](C)c3ccco3)c(OC)cc(=O)n2CC1 ZINC000011980199 559269716 /nfs/dbraw/zinc/26/97/16/559269716.db2.gz KAOAQGGRUSKUAC-ZSUDGLGESA-N 1 1 413.518 3.107 50 0 HGAAMO C/C=C(\C)C[N@H+]1CCc2c(C(=O)N(C)[C@@H](C)c3ccco3)c(OC)cc(=O)n2CC1 ZINC000011980199 559269717 /nfs/dbraw/zinc/26/97/17/559269717.db2.gz KAOAQGGRUSKUAC-ZSUDGLGESA-N 1 1 413.518 3.107 50 0 HGAAMO O=S(=O)(c1ccc(C[NH2+]Cc2cccc(Cl)c2Cl)cc1)N1CCOCC1 ZINC000017317381 560708808 /nfs/dbraw/zinc/70/88/08/560708808.db2.gz NIUPWDCSGUAIMK-UHFFFAOYSA-N 1 1 415.342 3.304 50 0 HGAAMO CCCOc1ccc(N2C(=O)C[C@H]([N@H+](C)CCOc3ccc(OC)cc3)C2=O)cc1 ZINC000102930347 560836041 /nfs/dbraw/zinc/83/60/41/560836041.db2.gz ANYZULVYHULYRC-NRFANRHFSA-N 1 1 412.486 3.127 50 0 HGAAMO CCCOc1ccc(N2C(=O)C[C@H]([N@@H+](C)CCOc3ccc(OC)cc3)C2=O)cc1 ZINC000102930347 560836042 /nfs/dbraw/zinc/83/60/42/560836042.db2.gz ANYZULVYHULYRC-NRFANRHFSA-N 1 1 412.486 3.127 50 0 HGAAMO COc1cccc(CN2CCC[C@@]3(CC[N@H+](C4CCSCC4)C3)C2=O)c1OC ZINC000012198921 560891974 /nfs/dbraw/zinc/89/19/74/560891974.db2.gz ZQCJYOTYHQORMV-QFIPXVFZSA-N 1 1 404.576 3.414 50 0 HGAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(F)cc1I ZINC000048159035 568432187 /nfs/dbraw/zinc/43/21/87/568432187.db2.gz MYGOHTAMGUDKMN-LBPRGKRZSA-N 1 1 404.267 3.425 50 0 HGAAMO Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)N[C@H]3CC[N@H+](C4CC4)C3)c2)c1 ZINC000048274830 568435469 /nfs/dbraw/zinc/43/54/69/568435469.db2.gz CWTQTXBSHUKIMA-IBGZPJMESA-N 1 1 413.543 3.071 50 0 HGAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)c2ccc3c(c2)OCC(=O)N3)C1 ZINC000048333002 568439328 /nfs/dbraw/zinc/43/93/28/568439328.db2.gz OUXLBUFJDKKVCT-CALCHBBNSA-N 1 1 407.514 3.425 50 0 HGAAMO CCN1CC[NH+](Cc2ccc(CNC(=O)[C@H]3Cc4cc(Cl)ccc4O3)cc2)CC1 ZINC000048332089 568439993 /nfs/dbraw/zinc/43/99/93/568439993.db2.gz HSMPASCZKJJMEE-JOCHJYFZSA-N 1 1 413.949 3.097 50 0 HGAAMO O=C(C[NH+]1CCC(c2nc(-c3cccs3)no2)CC1)NCc1ccc(F)cc1 ZINC000049403605 568448394 /nfs/dbraw/zinc/44/83/94/568448394.db2.gz DUROKFKEWQBBDT-UHFFFAOYSA-N 1 1 400.479 3.433 50 0 HGAAMO CC[N@H+]1CCCN(c2ccc(C(=O)N3CCC[C@@H](C(=O)CC(C)C)C3)cn2)CC1 ZINC000216442967 568465472 /nfs/dbraw/zinc/46/54/72/568465472.db2.gz GKVPFXJJXRHYEN-HXUWFJFHSA-N 1 1 400.567 3.081 50 0 HGAAMO O=C(CCc1ccc2ccccc2c1)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000095393526 568604207 /nfs/dbraw/zinc/60/42/07/568604207.db2.gz KBFKQQPTOQNPCC-UHFFFAOYSA-N 1 1 415.537 3.233 50 0 HGAAMO CCOC(=O)C(C)(C)n1cc(NC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)cn1 ZINC000095423095 568607547 /nfs/dbraw/zinc/60/75/47/568607547.db2.gz FPNLXRHTAMVMIL-KRWDZBQOSA-N 1 1 416.497 3.171 50 0 HGAAMO COC(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@H](c3nc4cc(C)ccc4[nH]3)C2)cc1 ZINC000095446867 568612098 /nfs/dbraw/zinc/61/20/98/568612098.db2.gz GAGWEWFPICFKQA-KRWDZBQOSA-N 1 1 406.486 3.476 50 0 HGAAMO COC(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@H](c3nc4cc(C)ccc4[nH]3)C2)cc1 ZINC000095446867 568612099 /nfs/dbraw/zinc/61/20/99/568612099.db2.gz GAGWEWFPICFKQA-KRWDZBQOSA-N 1 1 406.486 3.476 50 0 HGAAMO CN(C)c1n[nH]c(C2CC[NH+](CC(=O)N(Cc3ccccc3)c3ccccc3)CC2)n1 ZINC000225844521 568680021 /nfs/dbraw/zinc/68/00/21/568680021.db2.gz WNTHQQAKLXKZRL-UHFFFAOYSA-N 1 1 418.545 3.284 50 0 HGAAMO CC[NH+]1CCN(C(=O)[C@@H]2CCc3sc(C(=O)N4CCCCCC4)cc3C2)CC1 ZINC000096398419 568747198 /nfs/dbraw/zinc/74/71/98/568747198.db2.gz SKSJNHWHTPCGRQ-QGZVFWFLSA-N 1 1 403.592 3.033 50 0 HGAAMO CCOc1ccc(NCc2cccn2-c2nnc(N3CC[NH+](CC)CC3)s2)cc1 ZINC000021880857 568757143 /nfs/dbraw/zinc/75/71/43/568757143.db2.gz DFSNMESWLCMESO-UHFFFAOYSA-N 1 1 412.563 3.482 50 0 HGAAMO CCOc1ccc([C@@H]2NC(=O)N=C(C[N@H+](CC)Cc3ccccc3)C2C(=O)OC)cc1 ZINC000057415324 568833775 /nfs/dbraw/zinc/83/37/75/568833775.db2.gz FXXYCVHHYBWJRP-QFIPXVFZSA-N 1 1 423.513 3.388 50 0 HGAAMO CCOc1ccc([C@@H]2NC(=O)N=C(C[N@@H+](CC)Cc3ccccc3)C2C(=O)OC)cc1 ZINC000057415324 568833777 /nfs/dbraw/zinc/83/37/77/568833777.db2.gz FXXYCVHHYBWJRP-QFIPXVFZSA-N 1 1 423.513 3.388 50 0 HGAAMO CCCOc1cc([C@@H]2NC(=[NH2+])Nc3nc4cc5c(cc4n32)OCCCO5)ccc1OC ZINC000012506561 568839254 /nfs/dbraw/zinc/83/92/54/568839254.db2.gz QYDVWMYWXCNIBC-HXUWFJFHSA-N 1 1 423.473 3.091 50 0 HGAAMO [NH2+]=C1Nc2nc3cc4c(cc3n2[C@H](c2ccccc2C(F)(F)F)N1)OCCCO4 ZINC000012507729 568839868 /nfs/dbraw/zinc/83/98/68/568839868.db2.gz FIWUNTLRDXBNFV-MRXNPFEDSA-N 1 1 403.364 3.313 50 0 HGAAMO CC(C)(C[NH+]1CCN(c2ccccc2)CC1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000057532413 568852403 /nfs/dbraw/zinc/85/24/03/568852403.db2.gz XKJYTQWQRQPBTC-UHFFFAOYSA-N 1 1 407.967 3.219 50 0 HGAAMO Cc1sc2nc(C)n(CCC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@@H]34)c(=O)c2c1C ZINC000230206175 568854861 /nfs/dbraw/zinc/85/48/61/568854861.db2.gz NPIOYZSTVVAYJO-ROUUACIJSA-N 1 1 416.591 3.154 50 0 biogenic HGAAMO O=C(CC[C@@H](O)c1ccc2c(c1)CCC(=O)N2)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000230283508 568857654 /nfs/dbraw/zinc/85/76/54/568857654.db2.gz WDJHVOIQPUXOTG-FYYLOGMGSA-N 1 1 421.541 3.166 50 0 HGAAMO Cc1ccccc1C[N@H+]1CCCN(CC(=O)Nc2ccc(Br)cn2)CC1 ZINC000030154155 568858406 /nfs/dbraw/zinc/85/84/06/568858406.db2.gz KRQHLJDHWIBVTH-UHFFFAOYSA-N 1 1 417.351 3.299 50 0 HGAAMO O=C(CCn1cncn1)N1CC[NH+](Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC000030180803 568858675 /nfs/dbraw/zinc/85/86/75/568858675.db2.gz FKKKUWDJXJPRRE-UHFFFAOYSA-N 1 1 415.950 3.395 50 0 HGAAMO CC[NH+]1CCN(C(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2OC)CC1 ZINC000058148884 568892432 /nfs/dbraw/zinc/89/24/32/568892432.db2.gz BGFYYGVCZDLWFK-UHFFFAOYSA-N 1 1 404.514 3.385 50 0 HGAAMO C[N@@H+](CCO)C1(CNC(=O)C2(c3cccc(Cl)c3)CCOCC2)CCCCC1 ZINC000083860960 568921427 /nfs/dbraw/zinc/92/14/27/568921427.db2.gz JFCSRLSTVPMUEF-UHFFFAOYSA-N 1 1 408.970 3.131 50 0 HGAAMO C[C@H](C(=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1)N1CC[NH+](C)CC1 ZINC000084037370 568933294 /nfs/dbraw/zinc/93/32/94/568933294.db2.gz WBZIJVNIWMSGIN-MRXNPFEDSA-N 1 1 403.473 3.453 50 0 HGAAMO COc1ccc([C@@H](O)C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)cc1OC ZINC000004028776 568934074 /nfs/dbraw/zinc/93/40/74/568934074.db2.gz RZTRQDYTALSTEQ-HOTGVXAUSA-N 1 1 401.459 3.094 50 0 biogenic HGAAMO COc1ccc([C@@H](O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)c(OC)c1 ZINC000004029311 568934324 /nfs/dbraw/zinc/93/43/24/568934324.db2.gz YLFOXWHTQSYROJ-SJORKVTESA-N 1 1 401.459 3.094 50 0 biogenic HGAAMO COc1ccc([C@@H](O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)c(OC)c1 ZINC000004029311 568934326 /nfs/dbraw/zinc/93/43/26/568934326.db2.gz YLFOXWHTQSYROJ-SJORKVTESA-N 1 1 401.459 3.094 50 0 biogenic HGAAMO Cc1cccc(CC(=O)N2CCc3c2ccc(-c2cn(C)c4nc[nH+]c(N)c24)c3F)n1 ZINC000096170461 568937863 /nfs/dbraw/zinc/93/78/63/568937863.db2.gz PRWSIEBRGXYXAJ-UHFFFAOYSA-N 1 1 416.460 3.192 50 0 in-vitro HGAAMO CS(=O)(=O)c1cccc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCCCC2)c1 ZINC000670461597 568951607 /nfs/dbraw/zinc/95/16/07/568951607.db2.gz XQGICRBUROXXAE-NRFANRHFSA-N 1 1 400.544 3.437 50 0 HGAAMO C[C@H]1C[C@H](C)C[NH+](Cc2csc(NC(=O)CNC(=O)c3ccc(F)cc3)n2)C1 ZINC000012783538 568958983 /nfs/dbraw/zinc/95/89/83/568958983.db2.gz GTMFEWMMAKUFHE-KBPBESRZSA-N 1 1 404.511 3.129 50 0 HGAAMO COc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(N(C)C)nc(C)[nH+]3)cc2)cc1 ZINC000015671319 568961986 /nfs/dbraw/zinc/96/19/86/568961986.db2.gz CEDPPICVUIXAGC-UHFFFAOYSA-N 1 1 413.503 3.404 50 0 HGAAMO Cc1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)sc2nc3n(c(=O)c12)CCCC3 ZINC000015675308 568963339 /nfs/dbraw/zinc/96/33/39/568963339.db2.gz AKTOLOBQRYPOPS-UHFFFAOYSA-N 1 1 414.575 3.193 50 0 HGAAMO C[N@@H+](CCNC(=O)C1CCN(c2nc3cccnc3s2)CC1)C1CCCCC1 ZINC000015770260 568997498 /nfs/dbraw/zinc/99/74/98/568997498.db2.gz GBTOYMMGOJLQIZ-UHFFFAOYSA-N 1 1 401.580 3.288 50 0 HGAAMO COc1ccc(-c2noc(NCCC[NH+]3CCN(c4ccccc4OC)CC3)n2)cc1 ZINC000015770785 568997954 /nfs/dbraw/zinc/99/79/54/568997954.db2.gz KTRUMBVPMNVMDS-UHFFFAOYSA-N 1 1 423.517 3.378 50 0 HGAAMO COc1cc(C[N@@H+]2CCN(Cc3cc(F)cc(F)c3)C[C@H]2CCO)cc(OC)c1 ZINC000104344449 569008298 /nfs/dbraw/zinc/00/82/98/569008298.db2.gz POMWRYDTFOJMAU-HXUWFJFHSA-N 1 1 406.473 3.051 50 0 HGAAMO COc1cc(C[N@H+]2CCN(Cc3cc(F)cc(F)c3)C[C@H]2CCO)cc(OC)c1 ZINC000104344449 569008299 /nfs/dbraw/zinc/00/82/99/569008299.db2.gz POMWRYDTFOJMAU-HXUWFJFHSA-N 1 1 406.473 3.051 50 0 HGAAMO COc1ccc(-c2noc(CN3CC[N@H+](C)[C@H](c4ccccc4)C3)n2)c(OC)c1OC ZINC000104474318 569008945 /nfs/dbraw/zinc/00/89/45/569008945.db2.gz AKKDMMNZCJKFKC-SFHVURJKSA-N 1 1 424.501 3.251 50 0 HGAAMO COc1ccc(-c2noc(CN3CC[N@@H+](C)[C@H](c4ccccc4)C3)n2)c(OC)c1OC ZINC000104474318 569008946 /nfs/dbraw/zinc/00/89/46/569008946.db2.gz AKKDMMNZCJKFKC-SFHVURJKSA-N 1 1 424.501 3.251 50 0 HGAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)CC2CCN(C(=O)NC3CCCCC3)CC2)C1 ZINC000035399194 569035252 /nfs/dbraw/zinc/03/52/52/569035252.db2.gz BWDFBEYUWNIGGL-LJQANCHMSA-N 1 1 406.615 3.369 50 0 HGAAMO CCCCNC(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000006264311 569036187 /nfs/dbraw/zinc/03/61/87/569036187.db2.gz ZGZBWUSZKAEWNH-LEOXJPRUSA-N 1 1 404.551 3.288 50 0 biogenic HGAAMO CCCCNC(=O)C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000006264311 569036188 /nfs/dbraw/zinc/03/61/88/569036188.db2.gz ZGZBWUSZKAEWNH-LEOXJPRUSA-N 1 1 404.551 3.288 50 0 biogenic HGAAMO CCOC(=O)c1c(NC(=O)[C@H]2COc3ccccc3O2)sc2c1CC[N@H+](CC)C2 ZINC000006325996 569043321 /nfs/dbraw/zinc/04/33/21/569043321.db2.gz RCJSIHMNXKPNJZ-MRXNPFEDSA-N 1 1 416.499 3.081 50 0 HGAAMO CCOC(=O)c1c(NC(=O)[C@H]2COc3ccccc3O2)sc2c1CC[N@@H+](CC)C2 ZINC000006325996 569043322 /nfs/dbraw/zinc/04/33/22/569043322.db2.gz RCJSIHMNXKPNJZ-MRXNPFEDSA-N 1 1 416.499 3.081 50 0 HGAAMO O=C([C@@H]1CO[C@@H]2C=CC=C[C@H]2O1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000239105282 569053984 /nfs/dbraw/zinc/05/39/84/569053984.db2.gz IDWULGNULPQONK-SMIHKQSGSA-N 1 1 416.521 3.199 50 0 HGAAMO Cc1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@@H+]1[C@@]21C(=O)Nc2c1cccc2Cl ZINC000035851761 569063012 /nfs/dbraw/zinc/06/30/12/569063012.db2.gz RXVQTQOBVYFGOD-DDOIHHOZSA-N 1 1 421.884 3.080 50 0 HGAAMO Cc1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@H+]1[C@@]21C(=O)Nc2c1cccc2Cl ZINC000035851761 569063013 /nfs/dbraw/zinc/06/30/13/569063013.db2.gz RXVQTQOBVYFGOD-DDOIHHOZSA-N 1 1 421.884 3.080 50 0 HGAAMO Cc1onc(-c2ccccn2)c1C(=O)NCC[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000064472229 569063562 /nfs/dbraw/zinc/06/35/62/569063562.db2.gz QCHIQIAGULZRBT-UHFFFAOYSA-N 1 1 419.529 3.214 50 0 HGAAMO COc1cccc(CN2CCC[C@]3(CC[N@@H+](CCc4ccccn4)C3)C2=O)c1OC ZINC000426397356 569072667 /nfs/dbraw/zinc/07/26/67/569072667.db2.gz HPBCIDUMMFSUEW-XMMPIXPASA-N 1 1 409.530 3.156 50 0 HGAAMO Cc1noc(C)c1CN1CCc2c(C(=O)NC[C@H]3CCCC[N@@H+]3C)csc2C1 ZINC000426399006 569072726 /nfs/dbraw/zinc/07/27/26/569072726.db2.gz JSPADKZMLQMGGD-MRXNPFEDSA-N 1 1 402.564 3.125 50 0 HGAAMO CC(C)c1ccc(C[N@H+]2CCC[C@@]3(CCN(C(=O)c4c[nH]c(=O)[nH]c4=O)C3)C2)cc1 ZINC000426517688 569073287 /nfs/dbraw/zinc/07/32/87/569073287.db2.gz XAUPJWVLLLAEQO-HSZRJFAPSA-N 1 1 410.518 3.140 50 0 HGAAMO COc1cc([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)N2CCCCC2)ccc1O ZINC000006641631 569079915 /nfs/dbraw/zinc/07/99/15/569079915.db2.gz WTNJGYFYMAQZAK-NMNUPHIUSA-N 1 1 402.535 3.081 50 0 HGAAMO C[N@@H+](CCNC(=O)CC1CCN(C(=O)NC2CCCCC2)CC1)Cc1ccccc1 ZINC000064847052 569108268 /nfs/dbraw/zinc/10/82/68/569108268.db2.gz WBFNRXMGVWBRSE-UHFFFAOYSA-N 1 1 414.594 3.379 50 0 HGAAMO CCN(CC)C(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2cc(F)cc(F)c2)CC1 ZINC000036250180 569119264 /nfs/dbraw/zinc/11/92/64/569119264.db2.gz LSMYWGIKKJUKSM-FQEVSTJZSA-N 1 1 407.505 3.150 50 0 HGAAMO O=C(CCCn1sc2ccccc2c1=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000006800198 569126861 /nfs/dbraw/zinc/12/68/61/569126861.db2.gz PKYHWRFFRNDWBE-UHFFFAOYSA-N 1 1 409.555 3.408 50 0 HGAAMO CC(C)CN(C[C@H]1C[N@H+](C[C@@H](O)Cc2ccccc2)CCO1)C(=O)c1ccccc1 ZINC000169681508 569127546 /nfs/dbraw/zinc/12/75/46/569127546.db2.gz GXWZEKSJKUWJKV-BJKOFHAPSA-N 1 1 410.558 3.089 50 0 HGAAMO CC(C)CN(C[C@H]1C[N@@H+](C[C@@H](O)Cc2ccccc2)CCO1)C(=O)c1ccccc1 ZINC000169681508 569127547 /nfs/dbraw/zinc/12/75/47/569127547.db2.gz GXWZEKSJKUWJKV-BJKOFHAPSA-N 1 1 410.558 3.089 50 0 HGAAMO Cc1ccc(C2=NN(C(=O)C[NH+]3CCC(C(N)=O)CC3)[C@@H](c3ccccc3)C2)c(C)c1 ZINC000036342611 569142142 /nfs/dbraw/zinc/14/21/42/569142142.db2.gz FIAUQEUMEMXCJO-HSZRJFAPSA-N 1 1 418.541 3.178 50 0 HGAAMO Cc1c(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)sc2nc3n(c(=O)c12)CCCCC3 ZINC000006840810 569151458 /nfs/dbraw/zinc/15/14/58/569151458.db2.gz QKEDEBDIPWVIFU-HNNXBMFYSA-N 1 1 416.591 3.487 50 0 HGAAMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Cn2cccc(C(F)(F)F)c2=O)C1 ZINC000036390729 569166005 /nfs/dbraw/zinc/16/60/05/569166005.db2.gz IMRUZDXJRLHIMC-MRXNPFEDSA-N 1 1 421.463 3.415 50 0 HGAAMO CCCC1N=NC(=S)N1CC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000036391054 569166725 /nfs/dbraw/zinc/16/67/25/569166725.db2.gz KRZIZIDSQWWGMX-MRXNPFEDSA-N 1 1 401.580 3.210 50 0 HGAAMO Cc1ccc(-c2cc3c(=O)n(Cc4noc(C[N@H+]5CCC[C@H](C)C5)n4)ccn3n2)cc1 ZINC000065235792 569202488 /nfs/dbraw/zinc/20/24/88/569202488.db2.gz MXVFOOUVDDMROY-KRWDZBQOSA-N 1 1 418.501 3.135 50 0 HGAAMO Cc1ccc(-c2cc3c(=O)n(Cc4noc(C[N@@H+]5CCC[C@H](C)C5)n4)ccn3n2)cc1 ZINC000065235792 569202490 /nfs/dbraw/zinc/20/24/90/569202490.db2.gz MXVFOOUVDDMROY-KRWDZBQOSA-N 1 1 418.501 3.135 50 0 HGAAMO Cc1oc2ncn(CC(C)C)c(=O)c2c1C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000065321306 569224245 /nfs/dbraw/zinc/22/42/45/569224245.db2.gz IHCHCIGNBFUBAD-UHFFFAOYSA-N 1 1 402.539 3.338 50 0 HGAAMO CC[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2c(C)oc3ncn(C)c(=O)c32)o1 ZINC000065329565 569224799 /nfs/dbraw/zinc/22/47/99/569224799.db2.gz ZJVPDFNRTRHKJR-HNNXBMFYSA-N 1 1 412.490 3.122 50 0 HGAAMO COc1cc(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)cnc1Br ZINC000170606403 569244383 /nfs/dbraw/zinc/24/43/83/569244383.db2.gz AZYGSGTZRYMKBT-CQSZACIVSA-N 1 1 404.308 3.199 50 0 HGAAMO COc1cc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cnc1Br ZINC000170606403 569244384 /nfs/dbraw/zinc/24/43/84/569244384.db2.gz AZYGSGTZRYMKBT-CQSZACIVSA-N 1 1 404.308 3.199 50 0 HGAAMO C[C@@H](NC(=O)C[NH+]1CCC(N2CCn3ccnc3C2)CC1)c1ccc2ccccc2c1 ZINC000089905130 569268226 /nfs/dbraw/zinc/26/82/26/569268226.db2.gz FRCZSYJKKOOQIY-LJQANCHMSA-N 1 1 417.557 3.194 50 0 HGAAMO CCOc1cc([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)N2CCCCC2)ccc1O ZINC000002100670 569281352 /nfs/dbraw/zinc/28/13/52/569281352.db2.gz NHZZGNAMAAEEJA-WUMKDDEVSA-N 1 1 416.562 3.472 50 0 HGAAMO COC(=O)c1cc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H]2c2ccsc2)cc(C(=O)OC)c1 ZINC000252452717 569286476 /nfs/dbraw/zinc/28/64/76/569286476.db2.gz YAULYIOEAXKKCI-ACJLOTCBSA-N 1 1 416.499 3.485 50 0 HGAAMO COC(=O)c1cc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H]2c2ccsc2)cc(C(=O)OC)c1 ZINC000252452717 569286477 /nfs/dbraw/zinc/28/64/77/569286477.db2.gz YAULYIOEAXKKCI-ACJLOTCBSA-N 1 1 416.499 3.485 50 0 HGAAMO COc1ccc([C@H]2CCC[N@@H+]2[C@H](C(=O)N2CCOCC2)c2ccccc2)c(OC)c1 ZINC000007741528 569306061 /nfs/dbraw/zinc/30/60/61/569306061.db2.gz IDKWMHUXCDHLCE-GGAORHGYSA-N 1 1 410.514 3.441 50 0 HGAAMO COc1ccc([C@H]2CCC[N@H+]2[C@H](C(=O)N2CCOCC2)c2ccccc2)c(OC)c1 ZINC000007741528 569306062 /nfs/dbraw/zinc/30/60/62/569306062.db2.gz IDKWMHUXCDHLCE-GGAORHGYSA-N 1 1 410.514 3.441 50 0 HGAAMO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2cc(OC)ccc2Br)c1 ZINC000253415679 569367126 /nfs/dbraw/zinc/36/71/26/569367126.db2.gz ARAUJUPFNXXRIU-LBPRGKRZSA-N 1 1 413.337 3.217 50 0 HGAAMO Cc1ccccc1-c1nnc(SCC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1C ZINC000019316927 569416378 /nfs/dbraw/zinc/41/63/78/569416378.db2.gz ZPMIWKSCESBFNY-IBGZPJMESA-N 1 1 421.570 3.273 50 0 HGAAMO Cc1ccc2c(=O)c(C[NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)c(C)[nH]c2c1C ZINC000019793695 569430101 /nfs/dbraw/zinc/43/01/01/569430101.db2.gz JBLNIUZMVUVVAJ-UHFFFAOYSA-N 1 1 419.525 3.500 50 0 HGAAMO CC[N@@H+]1CCC[C@H]1CNC(=O)COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000008879713 571131141 /nfs/dbraw/zinc/13/11/41/571131141.db2.gz QPFQUDVKEBEAJM-KRWDZBQOSA-N 1 1 422.481 3.145 50 0 biogenic HGAAMO CC[N@H+]1CCC[C@H]1CNC(=O)COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000008879713 571131142 /nfs/dbraw/zinc/13/11/42/571131142.db2.gz QPFQUDVKEBEAJM-KRWDZBQOSA-N 1 1 422.481 3.145 50 0 biogenic HGAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1cccc(OC[C@@H]2CCCO2)c1 ZINC000040047161 571143133 /nfs/dbraw/zinc/14/31/33/571143133.db2.gz INTLDAKPZALIEZ-NRFANRHFSA-N 1 1 402.535 3.009 50 0 HGAAMO O=C(C[N@@H+]1Cc2ccccc2[C@H](c2ccccc2)C1)N1CCN(c2ccccn2)CC1 ZINC000040051484 571145287 /nfs/dbraw/zinc/14/52/87/571145287.db2.gz QEZUQRBADUYNDU-DEOSSOPVSA-N 1 1 412.537 3.378 50 0 HGAAMO C[C@H](C(=O)N1CC(=O)Nc2ccccc21)[N@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000040063157 571148106 /nfs/dbraw/zinc/14/81/06/571148106.db2.gz IGCLSNFBECLUBW-CYBMUJFWSA-N 1 1 407.392 3.391 50 0 HGAAMO C[C@H](C(=O)N1CC(=O)Nc2ccccc21)[N@@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000040063157 571148108 /nfs/dbraw/zinc/14/81/08/571148108.db2.gz IGCLSNFBECLUBW-CYBMUJFWSA-N 1 1 407.392 3.391 50 0 HGAAMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)c3cncc(Br)c3)cc2)C[C@H](C)O1 ZINC000040087476 571157872 /nfs/dbraw/zinc/15/78/72/571157872.db2.gz ICRUAOLBKNCHLM-GASCZTMLSA-N 1 1 418.335 3.383 50 0 HGAAMO CCN1CC[NH+](Cc2ccccc2CNC(=O)CSc2ccccc2F)CC1 ZINC000040089840 571159722 /nfs/dbraw/zinc/15/97/22/571159722.db2.gz FHUVJRDKPBBOLD-UHFFFAOYSA-N 1 1 401.551 3.372 50 0 HGAAMO CN1CC[NH+](Cc2ccccc2CNC(=O)c2ccc(Br)cc2)CC1 ZINC000040089767 571159733 /nfs/dbraw/zinc/15/97/33/571159733.db2.gz CYPVDZMYROIHJT-UHFFFAOYSA-N 1 1 402.336 3.127 50 0 HGAAMO C[C@H]1CC(=O)Nc2ccccc2N1C(=O)C[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000008937950 571165667 /nfs/dbraw/zinc/16/56/67/571165667.db2.gz WLZNWZCIOKHQAD-KRWDZBQOSA-N 1 1 420.513 3.101 50 0 HGAAMO C[C@H](NC(=O)C[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)c1cccs1 ZINC000008943425 571169220 /nfs/dbraw/zinc/16/92/20/571169220.db2.gz JFZRYBGBWQVMNT-AWEZNQCLSA-N 1 1 415.515 3.005 50 0 HGAAMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1 ZINC000040112643 571170692 /nfs/dbraw/zinc/17/06/92/571170692.db2.gz GSEOVEAFEVUOJH-GOSISDBHSA-N 1 1 421.607 3.292 50 0 HGAAMO COc1cccc(C(=O)N2CC[NH+](CCn3ccnc3-c3ccccc3)CC2)c1OC ZINC000077158854 571311843 /nfs/dbraw/zinc/31/18/43/571311843.db2.gz OXSLEZBXIYMXOD-UHFFFAOYSA-N 1 1 420.513 3.025 50 0 HGAAMO CN1c2ccccc2[C@]2(C1=O)[C@@H](C(=O)NCc1ccccc1Cl)C[C@H]1CCC[N@H+]12 ZINC000057992422 571315455 /nfs/dbraw/zinc/31/54/55/571315455.db2.gz INHHSVFJVYCHNZ-JTUHZDRVSA-N 1 1 409.917 3.312 50 0 HGAAMO Cc1ccc2c(c1)N(C(=O)CCC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C[C@H](C)O2 ZINC000006798014 132317132 /nfs/dbraw/zinc/31/71/32/132317132.db2.gz CJWXNQKTDINBEM-ZCNNSNEGSA-N 1 1 415.578 3.373 50 0 HGAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCCNC(=O)CCC(=O)N1C[C@H](C)Oc2ccccc21 ZINC000006798335 132317255 /nfs/dbraw/zinc/31/72/55/132317255.db2.gz YTEQOHXBFOSWQV-OTWHNJEPSA-N 1 1 401.551 3.350 50 0 HGAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)CCC(=O)N1C[C@H](C)Oc2ccccc21 ZINC000006798319 132317266 /nfs/dbraw/zinc/31/72/66/132317266.db2.gz NTEYKFUGBCPPGP-RBUKOAKNSA-N 1 1 401.551 3.352 50 0 HGAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)CN1c2cc(C)ccc2O[C@@H](CC)C1=O ZINC000007991513 132326851 /nfs/dbraw/zinc/32/68/51/132326851.db2.gz SDAAHTTYDIXUBO-QUCCMNQESA-N 1 1 401.551 3.270 50 0 HGAAMO O=C(C[N@@H+]1CCc2sccc2[C@H]1c1ccccc1)N1CCN(c2ccccn2)CC1 ZINC000008327924 132329622 /nfs/dbraw/zinc/32/96/22/132329622.db2.gz UZBCMBLGMORPQU-XMMPIXPASA-N 1 1 418.566 3.439 50 0 HGAAMO O=C(C[N@H+]1CCc2sccc2[C@H]1c1ccccc1)N1CCN(c2ccccn2)CC1 ZINC000008327924 132329624 /nfs/dbraw/zinc/32/96/24/132329624.db2.gz UZBCMBLGMORPQU-XMMPIXPASA-N 1 1 418.566 3.439 50 0 HGAAMO CCC[N@@H+]1CCc2nc(NC(=O)c3ccc(S(=O)(=O)C(C)C)cc3)sc2C1 ZINC000056928529 519863889 /nfs/dbraw/zinc/86/38/89/519863889.db2.gz ZNYOZNAHWWEVBG-UHFFFAOYSA-N 1 1 407.561 3.346 50 0 HGAAMO CCC[N@H+]1CCc2nc(NC(=O)c3ccc(S(=O)(=O)C(C)C)cc3)sc2C1 ZINC000056928529 519863892 /nfs/dbraw/zinc/86/38/92/519863892.db2.gz ZNYOZNAHWWEVBG-UHFFFAOYSA-N 1 1 407.561 3.346 50 0 HGAAMO CCCCS(=O)(=O)Nc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000032923881 520940636 /nfs/dbraw/zinc/94/06/36/520940636.db2.gz GGSMGMCKJLCHMP-NRFANRHFSA-N 1 1 415.559 3.233 50 0 HGAAMO CCOc1ccc(CN2CC[N@@H+](Cc3cccc(-n4cccn4)c3)C[C@@H]2CCO)cc1 ZINC000020600678 520975482 /nfs/dbraw/zinc/97/54/82/520975482.db2.gz BMNYEVARHZZMNA-DEOSSOPVSA-N 1 1 420.557 3.340 50 0 HGAAMO CCOc1ccc(C[N@@H+]2CCN(Cc3cccc(-n4cccn4)c3)C[C@@H]2CCO)cc1 ZINC000020600678 520975487 /nfs/dbraw/zinc/97/54/87/520975487.db2.gz BMNYEVARHZZMNA-DEOSSOPVSA-N 1 1 420.557 3.340 50 0 HGAAMO CCOc1ccc(C[N@H+]2CCN(Cc3cccc(-n4cccn4)c3)C[C@@H]2CCO)cc1 ZINC000020600678 520975494 /nfs/dbraw/zinc/97/54/94/520975494.db2.gz BMNYEVARHZZMNA-DEOSSOPVSA-N 1 1 420.557 3.340 50 0 HGAAMO CN(C)C(=O)CSc1ccccc1C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000032911492 523997438 /nfs/dbraw/zinc/99/74/38/523997438.db2.gz SIGKCDQRXFTHQF-IBGZPJMESA-N 1 1 411.571 3.261 50 0 HGAAMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)OCC(=O)Nc3ccc(Cl)cn3)cc2)C[C@H](C)O1 ZINC000032936234 524990474 /nfs/dbraw/zinc/99/04/74/524990474.db2.gz CEBSLPIUNPNDQP-GASCZTMLSA-N 1 1 417.893 3.140 50 0 HGAAMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)OCC(=O)Nc3ccc(Cl)cn3)cc2)C[C@H](C)O1 ZINC000032936234 524990485 /nfs/dbraw/zinc/99/04/85/524990485.db2.gz CEBSLPIUNPNDQP-GASCZTMLSA-N 1 1 417.893 3.140 50 0 HGAAMO COc1cccc(C[N@H+]2CCN(Cc3c[nH]nc3-c3cccc(F)c3)C[C@@H]2CCO)c1 ZINC000020538669 525944210 /nfs/dbraw/zinc/94/42/10/525944210.db2.gz UXORMGYYTWOYNL-QFIPXVFZSA-N 1 1 424.520 3.293 50 0 HGAAMO O=C(CCNc1ncccn1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000045858028 526516185 /nfs/dbraw/zinc/51/61/85/526516185.db2.gz VABWRUMYTXNTCD-UHFFFAOYSA-N 1 1 401.514 3.212 50 0 HGAAMO Cc1noc2nc(-c3cccs3)cc(C(=O)NC[C@@H](C(C)C)[NH+]3CCOCC3)c12 ZINC000032298533 526678097 /nfs/dbraw/zinc/67/80/97/526678097.db2.gz LICGOGBMUZNDNV-KRWDZBQOSA-N 1 1 414.531 3.346 50 0 HGAAMO O=S(=O)(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cccc(OC(F)(F)F)c1 ZINC000043580909 527221349 /nfs/dbraw/zinc/22/13/49/527221349.db2.gz ZDDRGMVEGHQVHO-HNNXBMFYSA-N 1 1 404.410 3.294 50 0 HGAAMO Cc1ccc(C(=O)N(CC2CC2)C[C@@H]2C[N@H+](C[C@H](O)Cc3ccccc3)CCO2)cc1 ZINC000034691691 557372050 /nfs/dbraw/zinc/37/20/50/557372050.db2.gz VWPHGRZTSBAFER-RPBOFIJWSA-N 1 1 422.569 3.152 50 0 HGAAMO Cc1ccc(C(=O)N(CC2CC2)C[C@@H]2C[N@@H+](C[C@H](O)Cc3ccccc3)CCO2)cc1 ZINC000034691691 557372053 /nfs/dbraw/zinc/37/20/53/557372053.db2.gz VWPHGRZTSBAFER-RPBOFIJWSA-N 1 1 422.569 3.152 50 0 HGAAMO CCn1c(C)cc(O)c([C@H](c2ccc(F)cc2)[NH+]2CCN(c3ccccn3)CC2)c1=O ZINC000022697192 557784078 /nfs/dbraw/zinc/78/40/78/557784078.db2.gz MLJKRYXUERMMDU-QHCPKHFHSA-N 1 1 422.504 3.328 50 0 HGAAMO COc1ccc(CC(=O)NC[C@H]2CCC[N@@H+](Cc3cc(OC)cc(OC)c3)C2)cc1 ZINC000011661623 558265580 /nfs/dbraw/zinc/26/55/80/558265580.db2.gz YRXLBFVAAKEIJO-LJQANCHMSA-N 1 1 412.530 3.283 50 0 HGAAMO COc1cc(CN2CC[N@@H+](Cc3ccccc3C)[C@@H](CCO)C2)c(Cl)cc1O ZINC000019745046 558265702 /nfs/dbraw/zinc/26/57/02/558265702.db2.gz WLYWMDTZOYBQRW-IBGZPJMESA-N 1 1 404.938 3.431 50 0 HGAAMO CCOCc1cc(CN2CC[N@@H+](Cc3cccs3)[C@@H](CCO)C2)ccc1OC ZINC000019772242 558280379 /nfs/dbraw/zinc/28/03/79/558280379.db2.gz SCDIFYZTHJNLFX-FQEVSTJZSA-N 1 1 404.576 3.362 50 0 HGAAMO CCOC(=O)N1CCN([C@@H]2CCC[N@H+](C3CCN(c4ccccc4C)CC3)C2)CC1 ZINC000019789972 558282145 /nfs/dbraw/zinc/28/21/45/558282145.db2.gz VHBOTPHJYQYDNJ-JOCHJYFZSA-N 1 1 414.594 3.202 50 0 HGAAMO CCn1ccnc1CN1CCC(CCC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000011819842 558283088 /nfs/dbraw/zinc/28/30/88/558283088.db2.gz ZNGIECZDDRXLOS-QHCPKHFHSA-N 1 1 423.605 3.286 50 0 HGAAMO O=C(NCCc1cccnc1)[C@H]1CCC[N@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000011821295 558284530 /nfs/dbraw/zinc/28/45/30/558284530.db2.gz OLDKGFPERXMQMG-QHCPKHFHSA-N 1 1 406.574 3.117 50 0 HGAAMO CC(C)c1ccc(OC[C@@H](O)C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000019809735 558286492 /nfs/dbraw/zinc/28/64/92/558286492.db2.gz GSTPRBGSQIQSDD-NRFANRHFSA-N 1 1 412.530 3.096 50 0 HGAAMO Cc1ccc(OCC(=O)N2CC[NH+](Cc3ccccc3)CC2)c(Br)c1 ZINC000019920721 558307245 /nfs/dbraw/zinc/30/72/45/558307245.db2.gz ZRLPLQSXAAQQOI-UHFFFAOYSA-N 1 1 403.320 3.481 50 0 HGAAMO OCC[C@@H]1CN(Cc2c[nH]nc2-c2cccc(F)c2)CC[N@H+]1CCc1ccccc1 ZINC000020208023 558347134 /nfs/dbraw/zinc/34/71/34/558347134.db2.gz HPVYDAIYVOGLBM-HSZRJFAPSA-N 1 1 408.521 3.327 50 0 HGAAMO Cc1ccccc1C[N@@H+]1CCc2nnc([C@@H](C)NC(=O)CCc3ccccc3)n2CC1 ZINC000020454107 558368079 /nfs/dbraw/zinc/36/80/79/558368079.db2.gz MICGVKJMPMJJPE-HXUWFJFHSA-N 1 1 417.557 3.455 50 0 HGAAMO COc1cccc(C[N@H+]2CCC[C@@]3(CCN(C(=O)Cc4cccnc4)C3)C2)c1OC ZINC000012434557 558408330 /nfs/dbraw/zinc/40/83/30/558408330.db2.gz VTSLKVUVEHDOGS-XMMPIXPASA-N 1 1 409.530 3.156 50 0 HGAAMO Cc1cc(C)n2nc(C(=O)N(C)[C@@H]3CCC[N@H+](C4Cc5ccccc5C4)C3)cc2n1 ZINC000012438118 558409832 /nfs/dbraw/zinc/40/98/32/558409832.db2.gz GWRVKXZXQJHUBP-HXUWFJFHSA-N 1 1 403.530 3.050 50 0 HGAAMO C[NH+](C)CCN(C[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)c1cscn1 ZINC000012441701 558412424 /nfs/dbraw/zinc/41/24/24/558412424.db2.gz DHBAUQQQEMQLKY-KRWDZBQOSA-N 1 1 404.555 3.198 50 0 HGAAMO CCn1nc(C)c(C[N@H+]2CCC[C@@H](CNC(=O)c3cccc(OC)c3OC)C2)c1C ZINC000012459753 558418805 /nfs/dbraw/zinc/41/88/05/558418805.db2.gz RMXBSCWMKVOEDJ-SFHVURJKSA-N 1 1 414.550 3.179 50 0 HGAAMO CCOC(=O)C1(Cc2ccc(OC)cc2)CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC000012596770 558438183 /nfs/dbraw/zinc/43/81/83/558438183.db2.gz AVLAVVRMBHHQLZ-OAQYLSRUSA-N 1 1 416.562 3.284 50 0 HGAAMO Cc1nc(N2CCCC2)cc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)[nH+]1 ZINC000021793673 558449353 /nfs/dbraw/zinc/44/93/53/558449353.db2.gz FWAMWVQKLQPNKG-UHFFFAOYSA-N 1 1 419.451 3.366 50 0 HGAAMO CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000022038808 558459569 /nfs/dbraw/zinc/45/95/69/558459569.db2.gz YPTWRGJDQKNHPC-OAHLLOKOSA-N 1 1 401.532 3.166 50 0 HGAAMO C[C@@H]1C[C@@H](C)C[NH+](Cc2csc(NC(=O)c3cccc(CS(C)(=O)=O)c3)n2)C1 ZINC000022295076 558477014 /nfs/dbraw/zinc/47/70/14/558477014.db2.gz IFFXFOMOZVGDEG-HUUCEWRRSA-N 1 1 421.588 3.418 50 0 HGAAMO OCC[C@@H]1CN(Cc2ccc(Oc3ncccn3)cc2)CC[N@H+]1CCc1ccccc1 ZINC000022932832 558485880 /nfs/dbraw/zinc/48/58/80/558485880.db2.gz JWKRBUIXPMHKTO-HSZRJFAPSA-N 1 1 418.541 3.380 50 0 HGAAMO Cc1ccc(NC(=O)CN2CC[NH+](CCC(=O)Nc3ccccc3Cl)CC2)cc1 ZINC000022932448 558488148 /nfs/dbraw/zinc/48/81/48/558488148.db2.gz DRISHEZCHOVQKL-UHFFFAOYSA-N 1 1 414.937 3.233 50 0 HGAAMO COc1ccccc1NC(=O)CC[NH+]1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000023005435 558529938 /nfs/dbraw/zinc/52/99/38/558529938.db2.gz BVAMPHRJYXZWBU-UHFFFAOYSA-N 1 1 401.894 3.135 50 0 HGAAMO C[C@H](CC(=O)NCCC[NH+]1CCOCC1)CC(=O)Nc1cccc(Cl)c1Cl ZINC000023157226 558539921 /nfs/dbraw/zinc/53/99/21/558539921.db2.gz WCEBUCOZJYKVJE-CQSZACIVSA-N 1 1 416.349 3.187 50 0 HGAAMO CCOC(=O)[C@H]1CCC[N@H+](Cc2c(C(=O)N3CCCCC3)nc3c(C)cccn23)C1 ZINC000013594228 558546683 /nfs/dbraw/zinc/54/66/83/558546683.db2.gz JFJJNKMAEJGIAZ-SFHVURJKSA-N 1 1 412.534 3.044 50 0 HGAAMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2c(C(=O)N3CCCCC3)nc3c(C)cccn23)C1 ZINC000013594228 558546684 /nfs/dbraw/zinc/54/66/84/558546684.db2.gz JFJJNKMAEJGIAZ-SFHVURJKSA-N 1 1 412.534 3.044 50 0 HGAAMO CCc1cc2c(CN3CC[NH+](Cc4ccc5c(c4)CCO5)CC3)cc(=O)oc2cc1O ZINC000023303291 558548344 /nfs/dbraw/zinc/54/83/44/558548344.db2.gz NNGAAYWORPQSKB-UHFFFAOYSA-N 1 1 420.509 3.314 50 0 HGAAMO Cc1ccc(C[N@@H+]2CCN(Cc3ccc(Oc4ncccn4)cc3)C[C@@H]2CCO)o1 ZINC000023361404 558552613 /nfs/dbraw/zinc/55/26/13/558552613.db2.gz GWLDZMLPKZMHBH-FQEVSTJZSA-N 1 1 408.502 3.239 50 0 HGAAMO Cc1ccc(C[N@H+]2CCN(Cc3ccc(Oc4ncccn4)cc3)C[C@@H]2CCO)o1 ZINC000023361404 558552616 /nfs/dbraw/zinc/55/26/16/558552616.db2.gz GWLDZMLPKZMHBH-FQEVSTJZSA-N 1 1 408.502 3.239 50 0 HGAAMO Cc1ccccc1C(=O)N1CCC[C@@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000023373357 558553771 /nfs/dbraw/zinc/55/37/71/558553771.db2.gz OTHSHJCTNDLCOZ-OAQYLSRUSA-N 1 1 421.541 3.146 50 0 HGAAMO O[C@@H](COc1cccc(Br)c1)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000023386864 558556228 /nfs/dbraw/zinc/55/62/28/558556228.db2.gz YCSAQCSWONFMLP-MRXNPFEDSA-N 1 1 409.299 3.150 50 0 HGAAMO c1nn(-c2ccccc2)c2ncnc(NCc3ccccc3C[NH+]3CCOCC3)c12 ZINC000024528341 558600350 /nfs/dbraw/zinc/60/03/50/558600350.db2.gz KUXIAYFVGPDVQU-UHFFFAOYSA-N 1 1 400.486 3.260 50 0 HGAAMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000014184206 558629613 /nfs/dbraw/zinc/62/96/13/558629613.db2.gz WGDVCZQOANVJFO-QFIPXVFZSA-N 1 1 409.505 3.069 50 0 HGAAMO CCOC(=O)c1c(NC(=O)Cc2ccccc2OC)sc2c1CC[N@H+](CC)C2 ZINC000014197533 558634257 /nfs/dbraw/zinc/63/42/57/558634257.db2.gz LELNFHZSNUSLHM-UHFFFAOYSA-N 1 1 402.516 3.493 50 0 HGAAMO CCOC(=O)c1c(NC(=O)Cc2ccccc2OC)sc2c1CC[N@@H+](CC)C2 ZINC000014197533 558634259 /nfs/dbraw/zinc/63/42/59/558634259.db2.gz LELNFHZSNUSLHM-UHFFFAOYSA-N 1 1 402.516 3.493 50 0 HGAAMO COC(=O)c1cccc(OC[C@@H](O)C[N@@H+](C)Cc2ccc(Br)s2)c1 ZINC000014242191 558644740 /nfs/dbraw/zinc/64/47/40/558644740.db2.gz MIRLZTZRMBWKQZ-ZDUSSCGKSA-N 1 1 414.321 3.169 50 0 HGAAMO CC(C)[C@H](CNC(=O)COc1ccc2c(c1)CCC(=O)N2)[N@H+]1CCc2ccccc2C1 ZINC000025919244 558652336 /nfs/dbraw/zinc/65/23/36/558652336.db2.gz XIQBCAATYUFTMC-QHCPKHFHSA-N 1 1 421.541 3.149 50 0 HGAAMO Cc1nc(C[N@@H+](C)[C@@H]2CCc3c(c(C(=O)N(C)C)nn3Cc3ccccc3)C2)cs1 ZINC000014750804 558670862 /nfs/dbraw/zinc/67/08/62/558670862.db2.gz OFHGEUNMAFUTMB-LJQANCHMSA-N 1 1 423.586 3.387 50 0 HGAAMO Cc1nc(C[N@H+](C)[C@@H]2CCc3c(c(C(=O)N(C)C)nn3Cc3ccccc3)C2)cs1 ZINC000014750804 558670864 /nfs/dbraw/zinc/67/08/64/558670864.db2.gz OFHGEUNMAFUTMB-LJQANCHMSA-N 1 1 423.586 3.387 50 0 HGAAMO O=C(C[N@@H+]1CCCN(C(=O)Cc2ccc(-c3ccccc3)cc2)CC1)N1CCCC1 ZINC000028092187 558691167 /nfs/dbraw/zinc/69/11/67/558691167.db2.gz AHLNRJZOGBYAQC-UHFFFAOYSA-N 1 1 405.542 3.053 50 0 HGAAMO O=C(C[N@H+]1CCCN(C(=O)Cc2ccc(-c3ccccc3)cc2)CC1)N1CCCC1 ZINC000028092187 558691170 /nfs/dbraw/zinc/69/11/70/558691170.db2.gz AHLNRJZOGBYAQC-UHFFFAOYSA-N 1 1 405.542 3.053 50 0 HGAAMO CCc1ccc(CNc2nc(C)c(-c3ccn(CC[NH+]4CCOCC4)n3)s2)o1 ZINC000014992481 558695033 /nfs/dbraw/zinc/69/50/33/558695033.db2.gz JIZJYSLZRVPZGU-UHFFFAOYSA-N 1 1 401.536 3.415 50 0 HGAAMO O=c1c2c3c(sc2ncn1CCCc1ccccc1)C[C@H]([NH+]1CCOCC1)CC3 ZINC000014995936 558696110 /nfs/dbraw/zinc/69/61/10/558696110.db2.gz YEXHKXDXTRMEIY-GOSISDBHSA-N 1 1 409.555 3.280 50 0 HGAAMO CC1(C)C[C@@H](NC(=O)c2ccc(C[N@@H+]3CC=C(c4ccccc4)CC3)[nH]c2=O)CCO1 ZINC000014997649 558696600 /nfs/dbraw/zinc/69/66/00/558696600.db2.gz JKZWXJRTRKUVNM-FQEVSTJZSA-N 1 1 421.541 3.352 50 0 HGAAMO O=C(c1cc[n+]([O-])cc1)N(Cc1cccnc1)C[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000015073261 558714145 /nfs/dbraw/zinc/71/41/45/558714145.db2.gz OAVRBYLSNJTOEZ-OAQYLSRUSA-N 1 1 408.546 3.402 50 0 HGAAMO Cc1ccc(C(=O)N(CC[NH+](C)C)C[C@H]2CCCN(Cc3ccccc3F)C2)cn1 ZINC000015073246 558714163 /nfs/dbraw/zinc/71/41/63/558714163.db2.gz NVBQNHPPQBNHHE-FQEVSTJZSA-N 1 1 412.553 3.445 50 0 HGAAMO Cc1n[nH]c(C)c1CNC(=O)C1([N@@H+](C)CCc2ccccc2)Cc2ccccc2C1 ZINC000015075333 558715899 /nfs/dbraw/zinc/71/58/99/558715899.db2.gz PFLYKNJETZJSQZ-UHFFFAOYSA-N 1 1 402.542 3.355 50 0 HGAAMO COC(=O)c1ccccc1N(C)C(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000029597763 558717714 /nfs/dbraw/zinc/71/77/14/558717714.db2.gz CZBYGWGJJIWQTM-GOSISDBHSA-N 1 1 410.470 3.044 50 0 HGAAMO COC(=O)c1ccccc1N(C)C(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000029597763 558717716 /nfs/dbraw/zinc/71/77/16/558717716.db2.gz CZBYGWGJJIWQTM-GOSISDBHSA-N 1 1 410.470 3.044 50 0 HGAAMO O=C(Nc1ccc2c(c1)OCCO2)C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000030955310 558746966 /nfs/dbraw/zinc/74/69/66/558746966.db2.gz ZSUXBDFZLBVWON-UHFFFAOYSA-N 1 1 420.469 3.359 50 0 HGAAMO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000015996922 558765774 /nfs/dbraw/zinc/76/57/74/558765774.db2.gz GDODBXYULPSREU-QPXQOZNCSA-N 1 1 421.884 3.080 50 0 HGAAMO COc1ccc(Cl)cc1C(=O)N1CCN(c2cc(N3CCCC3)nc(C)[nH+]2)CC1 ZINC000033318266 558766401 /nfs/dbraw/zinc/76/64/01/558766401.db2.gz FVEPAIGZKDTWEP-UHFFFAOYSA-N 1 1 415.925 3.010 50 0 HGAAMO CC(C)c1nnc(CCC(=O)Nc2ccc3c(ccn3CC[NH+]3CCOCC3)c2)o1 ZINC000072309557 558773522 /nfs/dbraw/zinc/77/35/22/558773522.db2.gz HEPOALKBODFAMI-UHFFFAOYSA-N 1 1 411.506 3.051 50 0 HGAAMO Cc1cc2[nH]c(C(=O)Nc3ccc4c(c3)OCCO4)c(C[NH+]3CCOCC3)c2s1 ZINC000097938006 558820225 /nfs/dbraw/zinc/82/02/25/558820225.db2.gz YKNRTJPGCVHQLP-UHFFFAOYSA-N 1 1 413.499 3.394 50 0 HGAAMO CCOc1cccc(C[N@@H+]2CCN(Cc3cc(OC)cc(OC)c3)[C@H](CCO)C2)c1 ZINC000039442086 558821201 /nfs/dbraw/zinc/82/12/01/558821201.db2.gz RZTRHLYKZRZVCO-OAQYLSRUSA-N 1 1 414.546 3.171 50 0 HGAAMO CCOc1cccc(C[N@H+]2CCN(Cc3cc(OC)cc(OC)c3)[C@H](CCO)C2)c1 ZINC000039442086 558821204 /nfs/dbraw/zinc/82/12/04/558821204.db2.gz RZTRHLYKZRZVCO-OAQYLSRUSA-N 1 1 414.546 3.171 50 0 HGAAMO Cc1cc(-n2cccn2)ccc1C[N@H+]1CCN(Cc2ccc(F)cc2)[C@H](CCO)C1 ZINC000039442762 558821226 /nfs/dbraw/zinc/82/12/26/558821226.db2.gz QKGQLIQDIGCLKK-XMMPIXPASA-N 1 1 408.521 3.389 50 0 HGAAMO COc1cc(CN2CC[N@H+](Cc3ccc(F)cc3)[C@H](CCO)C2)cc(Cl)c1O ZINC000039532021 558822235 /nfs/dbraw/zinc/82/22/35/558822235.db2.gz GMVOZDVFWRWNLB-GOSISDBHSA-N 1 1 408.901 3.262 50 0 HGAAMO COc1cc(CN2CC[N@@H+](Cc3ccc(F)cc3)[C@H](CCO)C2)cc(Cl)c1O ZINC000039532021 558822238 /nfs/dbraw/zinc/82/22/38/558822238.db2.gz GMVOZDVFWRWNLB-GOSISDBHSA-N 1 1 408.901 3.262 50 0 HGAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(NC(=O)c2nnc(C)s2)cc1 ZINC000033011034 558830353 /nfs/dbraw/zinc/83/03/53/558830353.db2.gz CWOUGMLLEKDPQI-GOSISDBHSA-N 1 1 415.563 3.483 50 0 HGAAMO CCc1nnc(C(=O)Nc2ccc(C(=O)NCCC[N@H+]3CCCC[C@H]3C)cc2)s1 ZINC000033011433 558830810 /nfs/dbraw/zinc/83/08/10/558830810.db2.gz COVMAPPMBNIEJE-OAHLLOKOSA-N 1 1 415.563 3.347 50 0 HGAAMO CCc1nnc(C(=O)Nc2cccc(C(=O)NCCC[N@H+]3CCCC[C@H]3C)c2)s1 ZINC000033022454 558837509 /nfs/dbraw/zinc/83/75/09/558837509.db2.gz PGBNIWXEDNSPBU-OAHLLOKOSA-N 1 1 415.563 3.347 50 0 HGAAMO Cc1ccccc1N1CCN([C@H]2CCC[N@@H+](Cc3ccccc3OCCO)C2)CC1 ZINC000019225640 558852522 /nfs/dbraw/zinc/85/25/22/558852522.db2.gz OACFHPBAJZERBO-QHCPKHFHSA-N 1 1 409.574 3.153 50 0 HGAAMO Cc1ccccc1N1CC[NH+]([C@H]2CCCN(Cc3ccccc3OCCO)C2)CC1 ZINC000019225640 558852524 /nfs/dbraw/zinc/85/25/24/558852524.db2.gz OACFHPBAJZERBO-QHCPKHFHSA-N 1 1 409.574 3.153 50 0 HGAAMO COC(=O)c1ccc(C[N@H+]2CCC[C@@H](N3CCN(c4ccccc4OC)CC3)C2)cc1 ZINC000019229304 558853485 /nfs/dbraw/zinc/85/34/85/558853485.db2.gz VKPJUOMFHQUOIV-JOCHJYFZSA-N 1 1 423.557 3.268 50 0 HGAAMO COC(=O)c1ccc(CN2CCC[C@@H]([NH+]3CCN(c4ccccc4OC)CC3)C2)cc1 ZINC000019229304 558853486 /nfs/dbraw/zinc/85/34/86/558853486.db2.gz VKPJUOMFHQUOIV-JOCHJYFZSA-N 1 1 423.557 3.268 50 0 HGAAMO C[N@@H+](CCCNC(=O)C1CCN(c2nc3ccccc3[nH]2)CC1)Cc1ccccc1 ZINC000033071000 558866190 /nfs/dbraw/zinc/86/61/90/558866190.db2.gz NTCLUZFYUKBKBT-UHFFFAOYSA-N 1 1 405.546 3.418 50 0 HGAAMO O=C1C[C@H](N2CC[NH+](Cc3ccccc3)CC2)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000019313419 558866965 /nfs/dbraw/zinc/86/69/65/558866965.db2.gz HBZKWEAMRHBBTG-IBGZPJMESA-N 1 1 418.324 3.443 50 0 HGAAMO CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2nnc(-c3cccc(Br)c3)o2)C1 ZINC000060361070 558887578 /nfs/dbraw/zinc/88/75/78/558887578.db2.gz YSDFCNHIWOWXMQ-AWEZNQCLSA-N 1 1 421.339 3.483 50 0 HGAAMO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2nnc(-c3cccc(Br)c3)o2)C1 ZINC000060361070 558887580 /nfs/dbraw/zinc/88/75/80/558887580.db2.gz YSDFCNHIWOWXMQ-AWEZNQCLSA-N 1 1 421.339 3.483 50 0 HGAAMO CCCNC(=O)C1CC[NH+](Cc2cc(=O)n3c(-c4ccccc4)csc3n2)CC1 ZINC000058005805 558894493 /nfs/dbraw/zinc/89/44/93/558894493.db2.gz XWLUXMCFWYDBPP-UHFFFAOYSA-N 1 1 410.543 3.161 50 0 HGAAMO O=C1N(CCc2ccccc2)CCC[C@]1(O)C[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000071278746 558896488 /nfs/dbraw/zinc/89/64/88/558896488.db2.gz BIHVQGPQYMXOCS-VWLOTQADSA-N 1 1 403.526 3.122 50 0 HGAAMO Cc1ccc(NC(=O)NC[C@H](C(C)C)[N@H+]2CCc3ccccc3C2)cc1-n1cnnn1 ZINC000058134106 558900636 /nfs/dbraw/zinc/90/06/36/558900636.db2.gz DCCIOTALCKLVBY-JOCHJYFZSA-N 1 1 419.533 3.175 50 0 HGAAMO CCN1CC[NH+](CCCNC(=O)c2ccc(N3CCc4ccccc4C3)cc2)CC1 ZINC000058218448 558912980 /nfs/dbraw/zinc/91/29/80/558912980.db2.gz LYCDGKCCVFNSNZ-UHFFFAOYSA-N 1 1 406.574 3.007 50 0 HGAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)Cn2nc(-c3ccc(Cl)cc3)ccc2=O)C1 ZINC000004709569 558913693 /nfs/dbraw/zinc/91/36/93/558913693.db2.gz SXSVIGHWCIPZNZ-CALCHBBNSA-N 1 1 416.953 3.048 50 0 HGAAMO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)COc3ccccc3Cl)cc2)C1 ZINC000058326805 558919809 /nfs/dbraw/zinc/91/98/09/558919809.db2.gz HOKAXCTUVWSATM-MRXNPFEDSA-N 1 1 401.894 3.055 50 0 HGAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)NC[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000058420989 558925819 /nfs/dbraw/zinc/92/58/19/558925819.db2.gz AJCXIVMPVNOVMF-IBGZPJMESA-N 1 1 410.537 3.400 50 0 HGAAMO COc1cccc(CN2CCC[C@]3(CC[N@@H+](Cc4cccc(O)c4)C3)C2=O)c1OC ZINC000072473229 558983604 /nfs/dbraw/zinc/98/36/04/558983604.db2.gz ZGHNUVHHEDNXMJ-XMMPIXPASA-N 1 1 410.514 3.424 50 0 HGAAMO CC(C)n1nccc1NC(=O)[C@H](C)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000096833080 558988780 /nfs/dbraw/zinc/98/87/80/558988780.db2.gz OGFYQBICYXFNEW-KRWDZBQOSA-N 1 1 419.957 3.141 50 0 HGAAMO C[NH+]1CCN(C(=O)CC[C@@H]2CCCN(C(=O)CCCc3ccc(Cl)cc3)C2)CC1 ZINC000067678330 558991346 /nfs/dbraw/zinc/99/13/46/558991346.db2.gz QJTVGCXMEAVFND-FQEVSTJZSA-N 1 1 419.997 3.456 50 0 HGAAMO C[NH+]1CCN(C(=O)CC[C@H]2CCCN(C(=O)CCCc3ccc(Cl)cc3)C2)CC1 ZINC000067678333 558991391 /nfs/dbraw/zinc/99/13/91/558991391.db2.gz QJTVGCXMEAVFND-HXUWFJFHSA-N 1 1 419.997 3.456 50 0 HGAAMO C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](C[NH+]4CCN(Cc5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000022456923 558995201 /nfs/dbraw/zinc/99/52/01/558995201.db2.gz WRMKBSBJQCLVBI-VTQYNGMESA-N 1 1 424.585 3.089 50 0 biogenic HGAAMO O=C(c1ccc(F)cc1Cl)N1CCN(c2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC000077136019 558999523 /nfs/dbraw/zinc/99/95/23/558999523.db2.gz PFQYFUMARAEYJZ-UHFFFAOYSA-N 1 1 403.889 3.222 50 0 HGAAMO CCn1ccnc1CN1CC[N@@H+](CCC(=O)Nc2ccccc2SC)C[C@@H]1C ZINC000072268112 559000040 /nfs/dbraw/zinc/00/00/40/559000040.db2.gz GSOHWYJYLXPOSS-KRWDZBQOSA-N 1 1 401.580 3.160 50 0 HGAAMO COc1ccc(CN2CC[N@H+](Cc3cccn3-c3ccccn3)C[C@@H]2CCO)c(F)c1 ZINC000077383583 559003206 /nfs/dbraw/zinc/00/32/06/559003206.db2.gz QTWXWSVLEIWZRJ-FQEVSTJZSA-N 1 1 424.520 3.089 50 0 HGAAMO COc1ccc(CN2CC[N@@H+](Cc3cccn3-c3ccccn3)C[C@@H]2CCO)c(F)c1 ZINC000077383583 559003209 /nfs/dbraw/zinc/00/32/09/559003209.db2.gz QTWXWSVLEIWZRJ-FQEVSTJZSA-N 1 1 424.520 3.089 50 0 HGAAMO Cc1ccc(CN(C)C(=O)[C@@H]2CCC[N@H+](C3CCN(Cc4cccnc4)CC3)C2)o1 ZINC000082087904 559036885 /nfs/dbraw/zinc/03/68/85/559036885.db2.gz MVXFUUDKCXSEBL-OAQYLSRUSA-N 1 1 410.562 3.318 50 0 HGAAMO Cc1ccc(CN2CCC([N@H+]3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)cc1 ZINC000082155616 559041362 /nfs/dbraw/zinc/04/13/62/559041362.db2.gz YFCGPJQKBUBSJX-QFIPXVFZSA-N 1 1 406.574 3.383 50 0 HGAAMO Cc1cccc(CNC(=O)[C@H]2CCC[N@H+](C3CCN(Cc4ccncc4)CC3)C2)c1 ZINC000092065585 559075402 /nfs/dbraw/zinc/07/54/02/559075402.db2.gz KLDSEUKDVOFQIH-QHCPKHFHSA-N 1 1 406.574 3.383 50 0 HGAAMO CC1(C)COC2(OC1)c1ccccc1N(CN1CC[NH+](Cc3ccccc3)CC1)C2=O ZINC000023469543 559176333 /nfs/dbraw/zinc/17/63/33/559176333.db2.gz WEDKWEKPMQUFHQ-UHFFFAOYSA-N 1 1 421.541 3.034 50 0 HGAAMO CCn1c(=O)cc(SCC(=O)NCC[N@@H+](C)Cc2ccccc2)c2ccccc21 ZINC000004936723 559211860 /nfs/dbraw/zinc/21/18/60/559211860.db2.gz QMKMRTFVVRXRMG-UHFFFAOYSA-N 1 1 409.555 3.362 50 0 HGAAMO Cc1oc2c(c1C(=O)NCC[N@@H+](Cc1ccco1)C1CCCC1)C1=NCCN1C=N2 ZINC000100695982 559257088 /nfs/dbraw/zinc/25/70/88/559257088.db2.gz YRAAXLJVJFVKTK-UHFFFAOYSA-N 1 1 409.490 3.091 50 0 HGAAMO Cc1cccc(CN2CCC[C@]3(CC[N@@H+](CCC(=O)NCc4ccco4)C3)C2=O)c1 ZINC000426434189 559271421 /nfs/dbraw/zinc/27/14/21/559271421.db2.gz ZSICNUPYCPGDQN-XMMPIXPASA-N 1 1 409.530 3.109 50 0 HGAAMO CCOC(=O)C1=C(C[N@H+]2CCCC[C@H]2C)N(CC)C(=O)N[C@@H]1c1cccc(OC)c1 ZINC000104938038 560856975 /nfs/dbraw/zinc/85/69/75/560856975.db2.gz HBNKXLQEHLNBGD-IIBYNOLFSA-N 1 1 415.534 3.473 50 0 HGAAMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@H]1CCCN(c2cnccn2)C1 ZINC000105663186 560876860 /nfs/dbraw/zinc/87/68/60/560876860.db2.gz KPIAYDSUOSVHKF-UGKGYDQZSA-N 1 1 407.562 3.384 50 0 HGAAMO CCCCCNC(=O)C1CC[NH+](Cn2c(=O)oc3cc(Br)ccc32)CC1 ZINC000048289155 568434889 /nfs/dbraw/zinc/43/48/89/568434889.db2.gz CNDOHFOHMCAVMW-UHFFFAOYSA-N 1 1 424.339 3.333 50 0 HGAAMO Cc1csc(=O)n1CCC(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000048310830 568436807 /nfs/dbraw/zinc/43/68/07/568436807.db2.gz DUSBFTNATILSSL-CALCHBBNSA-N 1 1 401.576 3.403 50 0 HGAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)C3CCN(C(=O)C4CC4)CC3)cc2)C1 ZINC000048310743 568436824 /nfs/dbraw/zinc/43/68/24/568436824.db2.gz ORQHBCOWTMCPRX-KDURUIRLSA-N 1 1 411.590 3.429 50 0 HGAAMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H]1CC(=O)N(c2cccc(C)c2C)C1 ZINC000048354996 568441433 /nfs/dbraw/zinc/44/14/33/568441433.db2.gz ZLUAIEKKKZPBCU-HXUWFJFHSA-N 1 1 402.498 3.467 50 0 HGAAMO COc1ccc2c(c1)oc(C)c(Oc1ccc(C(=O)N3CC[NH+](C)CC3)cc1)c2=O ZINC000012322533 568471383 /nfs/dbraw/zinc/47/13/83/568471383.db2.gz GPMWXIQGWRUIPX-UHFFFAOYSA-N 1 1 408.454 3.290 50 0 HGAAMO CN(Cc1cnc(S(=O)(=O)CC2CC2)n1CC1CCCCC1)C[C@@H]1CCC[N@H+]1C ZINC000019939618 568586009 /nfs/dbraw/zinc/58/60/09/568586009.db2.gz NHXDBAMXTZLTOO-FQEVSTJZSA-N 1 1 422.639 3.173 50 0 HGAAMO CC[NH+]1CCN([C@@H](c2cccs2)[C@H](C)NC(=O)c2ccc(N(C)C)cc2)CC1 ZINC000020288189 568597472 /nfs/dbraw/zinc/59/74/72/568597472.db2.gz SSSXZWJNTZOQTN-LAUBAEHRSA-N 1 1 400.592 3.311 50 0 HGAAMO COc1ccccc1-c1nn(Cc2ccccc2)cc1C[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000095430324 568608921 /nfs/dbraw/zinc/60/89/21/568608921.db2.gz GJEDYGZJJYVTSN-IBGZPJMESA-N 1 1 404.514 3.304 50 0 HGAAMO O=C(C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1)NCc1cccc(COCc2ccco2)c1 ZINC000095962941 568670339 /nfs/dbraw/zinc/67/03/39/568670339.db2.gz FDIWBQRVDSFBEW-FQEVSTJZSA-N 1 1 408.502 3.215 50 0 HGAAMO O=C(C[N@H+]1CCC[C@H](c2ncc[nH]2)C1)NCc1cccc(COCc2ccco2)c1 ZINC000095962941 568670343 /nfs/dbraw/zinc/67/03/43/568670343.db2.gz FDIWBQRVDSFBEW-FQEVSTJZSA-N 1 1 408.502 3.215 50 0 HGAAMO C[C@@H]1CN(Cc2ccc(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc2)C[C@@H](C)O1 ZINC000229550531 568714584 /nfs/dbraw/zinc/71/45/84/568714584.db2.gz YFRVCXMULMTCAR-REHUZNOOSA-N 1 1 407.558 3.300 50 0 HGAAMO CC(C)C(=O)N1CCC[C@H](C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC000229892784 568715780 /nfs/dbraw/zinc/71/57/80/568715780.db2.gz WSZFFFSGSCYSLE-VABKMULXSA-N 1 1 411.590 3.394 50 0 HGAAMO C[C@@H]1C[NH+](C[C@@H](O)COc2ccc(Br)cc2Br)C[C@@H](C)O1 ZINC000012420331 568720355 /nfs/dbraw/zinc/72/03/55/568720355.db2.gz ZNGPEHWUSWLOND-NQBHXWOUSA-N 1 1 423.145 3.061 50 0 HGAAMO CCOC(=O)/C=C\c1ccc(NC(=O)NCC2([NH+]3CCOCC3)CCCCC2)cc1 ZINC000096307204 568723670 /nfs/dbraw/zinc/72/36/70/568723670.db2.gz DQHVPSDOEKQZAE-FLIBITNWSA-N 1 1 415.534 3.420 50 0 HGAAMO CCc1cc(=O)oc2cc(C)cc(OCC(=O)NC[C@H]3CCC[N@H+]4CCCC[C@H]34)c12 ZINC000096343553 568736895 /nfs/dbraw/zinc/73/68/95/568736895.db2.gz ZGEOFWSOSHNWQY-RTBURBONSA-N 1 1 412.530 3.423 50 0 HGAAMO O=C([C@@H]1CC(=O)Nc2ccccc21)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000055426993 568774991 /nfs/dbraw/zinc/77/49/91/568774991.db2.gz AVIAPODHKXHWHP-HXUWFJFHSA-N 1 1 400.482 3.005 50 0 HGAAMO COc1ccc(OC)c(NC(=O)[C@H]2C[C@@H]3CCC[N@H+]3[C@@]23c2cc(C)ccc2NC3=O)c1 ZINC000057129017 568824272 /nfs/dbraw/zinc/82/42/72/568824272.db2.gz ZKYPGKMQMPADBH-MBSHLRGSSA-N 1 1 421.497 3.283 50 0 HGAAMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)NC[C@@H]3CCN(c4ccc(F)cc4)C3)cc2)CCO1 ZINC000057276025 568825653 /nfs/dbraw/zinc/82/56/53/568825653.db2.gz XENKPUXFDKZHFZ-QUCCMNQESA-N 1 1 411.521 3.303 50 0 HGAAMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NC[C@@H]3CCN(c4ccc(F)cc4)C3)cc2)CCO1 ZINC000057276025 568825655 /nfs/dbraw/zinc/82/56/55/568825655.db2.gz XENKPUXFDKZHFZ-QUCCMNQESA-N 1 1 411.521 3.303 50 0 HGAAMO C[N@H+](CCCn1c(=O)c2cc(N3CCOCC3)ccc2[nH]c1=S)Cc1ccccc1 ZINC000002976060 568832560 /nfs/dbraw/zinc/83/25/60/568832560.db2.gz KMXJQFIWLWMRQL-UHFFFAOYSA-N 1 1 424.570 3.418 50 0 HGAAMO C[N@@H+](CCCn1c(=O)c2cc(N3CCOCC3)ccc2[nH]c1=S)Cc1ccccc1 ZINC000002976060 568832563 /nfs/dbraw/zinc/83/25/63/568832563.db2.gz KMXJQFIWLWMRQL-UHFFFAOYSA-N 1 1 424.570 3.418 50 0 HGAAMO CCCC[N@@H+](C)CCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3[nH]c2=S)cc1 ZINC000003010398 568838110 /nfs/dbraw/zinc/83/81/10/568838110.db2.gz RGUFEWYBOMUQDL-UHFFFAOYSA-N 1 1 424.570 3.439 50 0 HGAAMO CC[NH+]1CCN(c2ccccc2NS(=O)(=O)c2ccccc2Br)CC1 ZINC000012541909 568848769 /nfs/dbraw/zinc/84/87/69/568848769.db2.gz GFKMRUHFOJZOMT-UHFFFAOYSA-N 1 1 424.364 3.392 50 0 HGAAMO Cc1sc2nc(C)n(CCC(=O)NC[C@H]3CCC[N@H+]4CCCC[C@@H]34)c(=O)c2c1C ZINC000230206181 568854988 /nfs/dbraw/zinc/85/49/88/568854988.db2.gz NPIOYZSTVVAYJO-MSOLQXFVSA-N 1 1 416.591 3.154 50 0 biogenic HGAAMO O=C(c1cccc(I)c1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000057766469 568860234 /nfs/dbraw/zinc/86/02/34/568860234.db2.gz UVNMUVASNQMJSI-UHFFFAOYSA-N 1 1 420.294 3.292 50 0 HGAAMO COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)c1C ZINC000012599664 568869734 /nfs/dbraw/zinc/86/97/34/568869734.db2.gz VIBBHCIGAAZPIA-IAGOWNOFSA-N 1 1 411.502 3.340 50 0 HGAAMO COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)c1C ZINC000012599664 568869737 /nfs/dbraw/zinc/86/97/37/568869737.db2.gz VIBBHCIGAAZPIA-IAGOWNOFSA-N 1 1 411.502 3.340 50 0 HGAAMO CCOC(=O)c1cnn(-c2cccc(C)c2C)c1C[N@@H+]1CCC[C@@H](c2nncn2C)C1 ZINC000299790089 568875836 /nfs/dbraw/zinc/87/58/36/568875836.db2.gz AUBHGELYUZUVIA-GOSISDBHSA-N 1 1 422.533 3.174 50 0 HGAAMO CCOC(=O)c1cnn(-c2cccc(C)c2C)c1C[N@H+]1CCC[C@@H](c2nncn2C)C1 ZINC000299790089 568875837 /nfs/dbraw/zinc/87/58/37/568875837.db2.gz AUBHGELYUZUVIA-GOSISDBHSA-N 1 1 422.533 3.174 50 0 HGAAMO CCOC(=O)C1C(C[NH+]2CCC(C)CC2)=NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 ZINC000058038527 568879295 /nfs/dbraw/zinc/87/92/95/568879295.db2.gz KYMYARLYBUMKHS-NRFANRHFSA-N 1 1 415.534 3.377 50 0 HGAAMO CCOC(=O)C1=C(C[NH+]2CCC(C)CC2)NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 ZINC000058038527 568879296 /nfs/dbraw/zinc/87/92/96/568879296.db2.gz KYMYARLYBUMKHS-NRFANRHFSA-N 1 1 415.534 3.377 50 0 HGAAMO C[NH+]1CCN(NC(C(=O)Nc2ccc(F)cc2)(c2ccccc2)c2ccccc2)CC1 ZINC000019170614 568882196 /nfs/dbraw/zinc/88/21/96/568882196.db2.gz MQGOIVVBZJLXEQ-UHFFFAOYSA-N 1 1 418.516 3.460 50 0 HGAAMO C[C@H](NC(=O)C[N@@H+]1CC[C@H](OCc2ccccn2)C1)c1ccc(Br)cc1 ZINC000084651511 568954569 /nfs/dbraw/zinc/95/45/69/568954569.db2.gz XLSVBPMETYPGAH-KXBFYZLASA-N 1 1 418.335 3.312 50 0 HGAAMO C[C@H](NC(=O)C[N@H+]1CC[C@H](OCc2ccccn2)C1)c1ccc(Br)cc1 ZINC000084651511 568954570 /nfs/dbraw/zinc/95/45/70/568954570.db2.gz XLSVBPMETYPGAH-KXBFYZLASA-N 1 1 418.335 3.312 50 0 HGAAMO C[C@@H](NC(=O)C[N@@H+]1CC[C@H](OCc2ccccn2)C1)c1ccc(Br)cc1 ZINC000084651512 568954622 /nfs/dbraw/zinc/95/46/22/568954622.db2.gz XLSVBPMETYPGAH-BEFAXECRSA-N 1 1 418.335 3.312 50 0 HGAAMO C[C@@H](NC(=O)C[N@H+]1CC[C@H](OCc2ccccn2)C1)c1ccc(Br)cc1 ZINC000084651512 568954624 /nfs/dbraw/zinc/95/46/24/568954624.db2.gz XLSVBPMETYPGAH-BEFAXECRSA-N 1 1 418.335 3.312 50 0 HGAAMO CCCCN(C)C(=O)C1CC[NH+](Cc2nc(-c3ccc(OC)c(OC)c3)no2)CC1 ZINC000015726327 568978190 /nfs/dbraw/zinc/97/81/90/568978190.db2.gz KUQKKGUITXLGEL-UHFFFAOYSA-N 1 1 416.522 3.224 50 0 HGAAMO CCCN1CCN(c2nnc(-n3cccc3C[NH2+]Cc3ccc(C)cc3)s2)CC1 ZINC000015728195 568979257 /nfs/dbraw/zinc/97/92/57/568979257.db2.gz BDZSPQWNWJTYCH-UHFFFAOYSA-N 1 1 410.591 3.459 50 0 HGAAMO COc1ccc2[nH]c(C[N@@H+]3CCN(Cc4cccc(C)n4)[C@H](CCO)C3)c(C)c2c1 ZINC000104409721 569008711 /nfs/dbraw/zinc/00/87/11/569008711.db2.gz PKWVCJOVOQWBIA-HXUWFJFHSA-N 1 1 408.546 3.257 50 0 HGAAMO COc1ccc2[nH]c(C[N@H+]3CCN(Cc4cccc(C)n4)[C@H](CCO)C3)c(C)c2c1 ZINC000104409721 569008712 /nfs/dbraw/zinc/00/87/12/569008712.db2.gz PKWVCJOVOQWBIA-HXUWFJFHSA-N 1 1 408.546 3.257 50 0 HGAAMO COc1ccc2[nH]c(CN3CC[N@H+](Cc4cccc(C)n4)[C@H](CCO)C3)c(C)c2c1 ZINC000104409721 569008713 /nfs/dbraw/zinc/00/87/13/569008713.db2.gz PKWVCJOVOQWBIA-HXUWFJFHSA-N 1 1 408.546 3.257 50 0 HGAAMO COc1ccc2[nH]c(CN3CC[N@@H+](Cc4cccc(C)n4)[C@H](CCO)C3)c(C)c2c1 ZINC000104409721 569008714 /nfs/dbraw/zinc/00/87/14/569008714.db2.gz PKWVCJOVOQWBIA-HXUWFJFHSA-N 1 1 408.546 3.257 50 0 HGAAMO CCOc1ccccc1C[N@@H+]1CCN(Cc2ccc3nsnc3c2)C[C@H]1CCO ZINC000104496103 569008865 /nfs/dbraw/zinc/00/88/65/569008865.db2.gz ZJNNUZSBMIYMJT-LJQANCHMSA-N 1 1 412.559 3.159 50 0 HGAAMO CCOc1ccccc1C[N@H+]1CCN(Cc2ccc3nsnc3c2)C[C@H]1CCO ZINC000104496103 569008866 /nfs/dbraw/zinc/00/88/66/569008866.db2.gz ZJNNUZSBMIYMJT-LJQANCHMSA-N 1 1 412.559 3.159 50 0 HGAAMO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000016001843 569025474 /nfs/dbraw/zinc/02/54/74/569025474.db2.gz OIQLTZDNZIKXLG-DDOIHHOZSA-N 1 1 421.884 3.080 50 0 HGAAMO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016001843 569025475 /nfs/dbraw/zinc/02/54/75/569025475.db2.gz OIQLTZDNZIKXLG-DDOIHHOZSA-N 1 1 421.884 3.080 50 0 HGAAMO C[NH+](C)[C@@H](CNS(=O)(=O)c1cccc2nsnc21)c1cc2ccccc2o1 ZINC000575619402 569038754 /nfs/dbraw/zinc/03/87/54/569038754.db2.gz DRIIFOWIJRXYCS-AWEZNQCLSA-N 1 1 402.501 3.019 50 0 HGAAMO C[C@H](NC(=O)[C@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)c1ccccc1)c1ccccc1 ZINC000035485235 569039720 /nfs/dbraw/zinc/03/97/20/569039720.db2.gz ZGJVNRUSVAJNSC-GKVQRAMASA-N 1 1 413.521 3.436 50 0 biogenic HGAAMO CCOc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)cc1 ZINC000229376149 569040443 /nfs/dbraw/zinc/04/04/43/569040443.db2.gz HPRPVFJLAFAMSV-QZTJIDSGSA-N 1 1 410.518 3.466 50 0 HGAAMO CCOc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)cc1 ZINC000229376149 569040444 /nfs/dbraw/zinc/04/04/44/569040444.db2.gz HPRPVFJLAFAMSV-QZTJIDSGSA-N 1 1 410.518 3.466 50 0 HGAAMO CCOC(=O)c1c(NC(=O)[C@@H]2COc3ccccc3O2)sc2c1CC[N@H+](CC)C2 ZINC000006325993 569043336 /nfs/dbraw/zinc/04/33/36/569043336.db2.gz RCJSIHMNXKPNJZ-INIZCTEOSA-N 1 1 416.499 3.081 50 0 HGAAMO CCOC(=O)c1c(NC(=O)[C@@H]2COc3ccccc3O2)sc2c1CC[N@@H+](CC)C2 ZINC000006325993 569043337 /nfs/dbraw/zinc/04/33/37/569043337.db2.gz RCJSIHMNXKPNJZ-INIZCTEOSA-N 1 1 416.499 3.081 50 0 HGAAMO CCS(=O)(=O)c1ccc(NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000462257829 569052868 /nfs/dbraw/zinc/05/28/68/569052868.db2.gz JPYYPXAXVLDHOX-JXFKEZNVSA-N 1 1 401.532 3.122 50 0 HGAAMO COc1ccccc1C(=O)N1CCN(c2nc(Nc3ccccc3)cc(C)[nH+]2)CC1 ZINC000064450167 569062747 /nfs/dbraw/zinc/06/27/47/569062747.db2.gz JRBDXXAYBQRWRH-UHFFFAOYSA-N 1 1 403.486 3.500 50 0 HGAAMO O=C(NCc1ccco1)[C@H]1Cc2ccccc2N2CC[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000035869746 569063882 /nfs/dbraw/zinc/06/38/82/569063882.db2.gz DMJVILRMVFFLMO-UPVQGACJSA-N 1 1 401.510 3.459 50 0 HGAAMO O=C(C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000006551946 569065187 /nfs/dbraw/zinc/06/51/87/569065187.db2.gz VZRZWBFGPKVRJF-RBUKOAKNSA-N 1 1 419.591 3.312 50 0 HGAAMO CCc1ccc(CN2CCc3c(C(=O)N4CC[N@H+]5CCC[C@@H]5C4)csc3C2)nc1 ZINC000426428212 569072981 /nfs/dbraw/zinc/07/29/81/569072981.db2.gz CVIAXYSFQGJOEG-LJQANCHMSA-N 1 1 410.587 3.184 50 0 HGAAMO CN(C)C(=O)c1cncc(N2CC[C@@]3(C2)CCC[N@@H+](CCCc2ccccc2)C3)n1 ZINC000426604504 569073616 /nfs/dbraw/zinc/07/36/16/569073616.db2.gz NDTWOSQVJOWJPY-DEOSSOPVSA-N 1 1 407.562 3.104 50 0 HGAAMO O=C(C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1F)C2=O)N1CCCCCC1 ZINC000426707422 569073998 /nfs/dbraw/zinc/07/39/98/569073998.db2.gz LNQRQQDQLYGXNA-HSZRJFAPSA-N 1 1 401.526 3.043 50 0 HGAAMO CC[C@@H](C)[N@@H+](CCNC(=O)Cn1c(=O)c2cccn2c2cccnc21)C1CCCCC1 ZINC000006797306 569125243 /nfs/dbraw/zinc/12/52/43/569125243.db2.gz KNZGPMCAJOGTBJ-GOSISDBHSA-N 1 1 423.561 3.199 50 0 HGAAMO O=C(NCc1ccco1)[C@@H]1Cc2ccccc2N2CC[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000169678841 569126470 /nfs/dbraw/zinc/12/64/70/569126470.db2.gz DMJVILRMVFFLMO-VWNXMTODSA-N 1 1 401.510 3.459 50 0 HGAAMO CCOc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2C(=O)CN2CC[NH+](C)CC2)cc1 ZINC000036344097 569142539 /nfs/dbraw/zinc/14/25/39/569142539.db2.gz HJWMHJGMOFEKKN-XMMPIXPASA-N 1 1 420.557 3.319 50 0 HGAAMO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N2CCN(c3cccc(C)c3)CC2)cc1OC ZINC000036397102 569170220 /nfs/dbraw/zinc/17/02/20/569170220.db2.gz HRKLQSMLMAHAJX-JOCHJYFZSA-N 1 1 423.557 3.498 50 0 HGAAMO COc1ccc([C@H]2CCC[N@H+]2CC(=O)N2CCN(c3cccc(C)c3)CC2)cc1OC ZINC000036397102 569170221 /nfs/dbraw/zinc/17/02/21/569170221.db2.gz HRKLQSMLMAHAJX-JOCHJYFZSA-N 1 1 423.557 3.498 50 0 HGAAMO CCc1ccc(-n2nnc(C(=O)N3CC[NH+](C(C)C)CC3)c2-c2ccncc2)cc1 ZINC000065083225 569172797 /nfs/dbraw/zinc/17/27/97/569172797.db2.gz MZGRGHOHWJPCHJ-UHFFFAOYSA-N 1 1 404.518 3.058 50 0 HGAAMO C[C@@H](Oc1ccccc1)C(=O)N1CCN(c2nc(C[NH+]3CCCCC3)cs2)CC1 ZINC000065200514 569193866 /nfs/dbraw/zinc/19/38/66/569193866.db2.gz GAAVFVWAZHFVFP-GOSISDBHSA-N 1 1 414.575 3.245 50 0 HGAAMO c1ccc(CC2CC[NH+](Cc3nc(-c4ccc(N5CCOCC5)nc4)no3)CC2)cc1 ZINC000065216307 569197637 /nfs/dbraw/zinc/19/76/37/569197637.db2.gz ALURAEHKEJTLDD-UHFFFAOYSA-N 1 1 419.529 3.423 50 0 HGAAMO CCc1ccc(NC(=O)[C@H](CCSC)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000036550282 569199185 /nfs/dbraw/zinc/19/91/85/569199185.db2.gz SFAJBHFFAZTTBJ-LEWJYISDSA-N 1 1 411.571 3.140 50 0 HGAAMO Cc1ccc(-c2nnc(N3CCC(C(=O)NCC[N@@H+]4CCCC[C@H]4C)CC3)o2)cc1 ZINC000065229624 569200528 /nfs/dbraw/zinc/20/05/28/569200528.db2.gz RVTDJHZMJBGEOD-GOSISDBHSA-N 1 1 411.550 3.252 50 0 HGAAMO CC[C@@H]1CCCC[N@@H+]1Cc1nc(Cn2ccn3nc(-c4ccccc4)cc3c2=O)no1 ZINC000065235943 569202494 /nfs/dbraw/zinc/20/24/94/569202494.db2.gz KRINSYFFWQSDSX-GOSISDBHSA-N 1 1 418.501 3.359 50 0 HGAAMO CC[C@@H]1CCCC[N@H+]1Cc1nc(Cn2ccn3nc(-c4ccccc4)cc3c2=O)no1 ZINC000065235943 569202496 /nfs/dbraw/zinc/20/24/96/569202496.db2.gz KRINSYFFWQSDSX-GOSISDBHSA-N 1 1 418.501 3.359 50 0 HGAAMO Cc1ccc(-c2cc3c(=O)n(Cc4noc(C[NH+]5CCCCCC5)n4)ccn3n2)cc1 ZINC000065235807 569202530 /nfs/dbraw/zinc/20/25/30/569202530.db2.gz BIBJQZJXULPDGI-UHFFFAOYSA-N 1 1 418.501 3.279 50 0 HGAAMO CCCC[NH+]1CCN(C(=O)c2nc3csc(C)c3c(N3CCSCC3)n2)CC1 ZINC000065283415 569216461 /nfs/dbraw/zinc/21/64/61/569216461.db2.gz LMKCMZJXDBLSQO-UHFFFAOYSA-N 1 1 419.620 3.111 50 0 HGAAMO Cc1cccc(CC(=O)N2CCC[N@@H+]([C@@H]3CCN(Cc4ccc(F)cc4)C3=O)CC2)c1 ZINC000065293327 569218377 /nfs/dbraw/zinc/21/83/77/569218377.db2.gz JTIDMDHWGAWBIT-HSZRJFAPSA-N 1 1 423.532 3.012 50 0 HGAAMO Cc1cccc(CC(=O)N2CCC[N@H+]([C@@H]3CCN(Cc4ccc(F)cc4)C3=O)CC2)c1 ZINC000065293327 569218378 /nfs/dbraw/zinc/21/83/78/569218378.db2.gz JTIDMDHWGAWBIT-HSZRJFAPSA-N 1 1 423.532 3.012 50 0 HGAAMO CC[N@@H+](CCNC(=O)c1c(C)oc2ncn(CC(C)C)c(=O)c21)Cc1ccccc1 ZINC000065329764 569224970 /nfs/dbraw/zinc/22/49/70/569224970.db2.gz YLWHONUIGNFSNZ-UHFFFAOYSA-N 1 1 410.518 3.206 50 0 HGAAMO CCOCN(C(=O)C[N@H+](C)Cc1ccc(C(=O)NC)cc1)c1c(C)cccc1CC ZINC000170598208 569242374 /nfs/dbraw/zinc/24/23/74/569242374.db2.gz MKKOUKZTSARLNV-UHFFFAOYSA-N 1 1 411.546 3.376 50 0 HGAAMO CCOCN(C(=O)C[N@@H+](C)Cc1ccc(C(=O)NC)cc1)c1c(C)cccc1CC ZINC000170598208 569242375 /nfs/dbraw/zinc/24/23/75/569242375.db2.gz MKKOUKZTSARLNV-UHFFFAOYSA-N 1 1 411.546 3.376 50 0 HGAAMO O[C@H](COCc1cccs1)C[N@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000089774529 569263789 /nfs/dbraw/zinc/26/37/89/569263789.db2.gz KRLFBOVKRHFLTK-SOLBZPMBSA-N 1 1 401.450 3.452 50 0 HGAAMO COc1cccc(C(=O)N2CCN(c3nc(Nc4ccccc4)cc(C)[nH+]3)CC2)c1 ZINC000017012506 569271576 /nfs/dbraw/zinc/27/15/76/569271576.db2.gz XKAXLDMOFUVLLG-UHFFFAOYSA-N 1 1 403.486 3.500 50 0 HGAAMO C[N@@H+](CCCNC(=O)c1ccc2c(c1)NC(=O)[C@@H]1CCCCN21)Cc1ccccc1 ZINC000037416025 569298238 /nfs/dbraw/zinc/29/82/38/569298238.db2.gz LMSMFUWRRRGJAP-QFIPXVFZSA-N 1 1 406.530 3.250 50 0 HGAAMO COc1ccc([C@@H]2CCC[N@@H+]2[C@H](C(=O)N2CCOCC2)c2ccccc2)c(OC)c1 ZINC000007741522 569306002 /nfs/dbraw/zinc/30/60/02/569306002.db2.gz IDKWMHUXCDHLCE-GMAHTHKFSA-N 1 1 410.514 3.441 50 0 HGAAMO COc1ccc([C@@H]2CCC[N@H+]2[C@H](C(=O)N2CCOCC2)c2ccccc2)c(OC)c1 ZINC000007741522 569306003 /nfs/dbraw/zinc/30/60/03/569306003.db2.gz IDKWMHUXCDHLCE-GMAHTHKFSA-N 1 1 410.514 3.441 50 0 HGAAMO C[NH+](C)[C@H](CNC(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccccc1Cl ZINC000007797976 569311197 /nfs/dbraw/zinc/31/11/97/569311197.db2.gz GYAFSFYQZSTHCZ-LJQANCHMSA-N 1 1 413.905 3.135 50 0 HGAAMO C[N@H+](CC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl)Cc1ccccc1 ZINC000013060761 569408357 /nfs/dbraw/zinc/40/83/57/569408357.db2.gz PXSXNEBDGQQVJF-UHFFFAOYSA-N 1 1 421.950 3.195 50 0 HGAAMO C[N@@H+](CC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl)Cc1ccccc1 ZINC000013060761 569408359 /nfs/dbraw/zinc/40/83/59/569408359.db2.gz PXSXNEBDGQQVJF-UHFFFAOYSA-N 1 1 421.950 3.195 50 0 HGAAMO Cc1ccccc1-c1nnc(SCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1C ZINC000019316924 569416369 /nfs/dbraw/zinc/41/63/69/569416369.db2.gz ZPMIWKSCESBFNY-LJQANCHMSA-N 1 1 421.570 3.273 50 0 HGAAMO CCOC(=O)C1=C(C[NH+]2CCCCC2)NC(=O)N[C@@H]1c1cccc(Br)c1 ZINC000067286151 571064479 /nfs/dbraw/zinc/06/44/79/571064479.db2.gz AQJIMNLYALWSOI-QGZVFWFLSA-N 1 1 422.323 3.106 50 0 HGAAMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cn2nnc3ccccc32)cc1 ZINC000008748401 571111505 /nfs/dbraw/zinc/11/15/05/571111505.db2.gz DUTGNIFFJWTTDD-JOCHJYFZSA-N 1 1 411.509 3.484 50 0 HGAAMO O=c1[nH]c(CN2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)nc2ccccc21 ZINC000008754118 571112991 /nfs/dbraw/zinc/11/29/91/571112991.db2.gz USJDWGAWESCKID-UHFFFAOYSA-N 1 1 405.889 3.447 50 0 HGAAMO COc1ccc(CCNC(=O)[C@H](C)[N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1 ZINC000040018038 571139125 /nfs/dbraw/zinc/13/91/25/571139125.db2.gz ZATLQMOVZNBWCC-ICSRJNTNSA-N 1 1 409.530 3.093 50 0 HGAAMO C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)[N@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000040063155 571147746 /nfs/dbraw/zinc/14/77/46/571147746.db2.gz IGCLSNFBECLUBW-ZDUSSCGKSA-N 1 1 407.392 3.391 50 0 HGAAMO C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)[N@@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000040063155 571147749 /nfs/dbraw/zinc/14/77/49/571147749.db2.gz IGCLSNFBECLUBW-ZDUSSCGKSA-N 1 1 407.392 3.391 50 0 HGAAMO C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000040068009 571148617 /nfs/dbraw/zinc/14/86/17/571148617.db2.gz DUTYGXGZYPVEPZ-GOSISDBHSA-N 1 1 404.518 3.028 50 0 HGAAMO CC(C)[C@@H](CNC(=O)Cc1cc2ccccc2[nH]c1=O)[N@H+]1CCc2ccccc2C1 ZINC000040108713 571167986 /nfs/dbraw/zinc/16/79/86/571167986.db2.gz WEJQGGKTVFFGTQ-HSZRJFAPSA-N 1 1 403.526 3.270 50 0 HGAAMO Cc1ccn2c(c1)ncc(C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)c2=O ZINC000040112387 571170540 /nfs/dbraw/zinc/17/05/40/571170540.db2.gz MTMVIXWUJMOLRX-GOSISDBHSA-N 1 1 404.514 3.307 50 0 HGAAMO CCN1CC[NH+](Cc2ccc(CNC(=O)c3ccc(Br)o3)cc2)CC1 ZINC000040115679 571173451 /nfs/dbraw/zinc/17/34/51/571173451.db2.gz ZPDVLHWLJAJNAJ-UHFFFAOYSA-N 1 1 406.324 3.110 50 0 HGAAMO Clc1cnc(N2CC[NH+](CCCc3nnnn3-c3ccccc3)CC2)c(Cl)c1 ZINC000040153622 571200929 /nfs/dbraw/zinc/20/09/29/571200929.db2.gz JMAWXGRQQZNNDJ-UHFFFAOYSA-N 1 1 418.332 3.119 50 0 HGAAMO Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000040157496 571204198 /nfs/dbraw/zinc/20/41/98/571204198.db2.gz ULHQWPFYUULQNQ-FQEVSTJZSA-N 1 1 408.477 3.230 50 0 HGAAMO Cc1cccc(-n2c(CC(=O)NCC[N@@H+]3CCCC[C@H]3C)c3[nH]cccc-3c2=O)c1 ZINC000245279454 571222264 /nfs/dbraw/zinc/22/22/64/571222264.db2.gz FQVWUWPKZYEKMO-WIYYLYMNSA-N 1 1 406.530 3.472 50 0 HGAAMO C=C1C(NCCC[N@@H+]2CCc3ccccc3C2)=NS(=O)(=O)C1c1ccc(F)cc1 ZINC000009268502 571244252 /nfs/dbraw/zinc/24/42/52/571244252.db2.gz IXKWXWHJIFCLAN-UHFFFAOYSA-N 1 1 413.518 3.337 50 0 HGAAMO C=C1C(NCCC[N@H+]2CCc3ccccc3C2)=NS(=O)(=O)C1c1ccc(F)cc1 ZINC000009268502 571244253 /nfs/dbraw/zinc/24/42/53/571244253.db2.gz IXKWXWHJIFCLAN-UHFFFAOYSA-N 1 1 413.518 3.337 50 0 HGAAMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)CCCn2nnc(-c3ccccc3)n2)C1 ZINC000069929038 571250039 /nfs/dbraw/zinc/25/00/39/571250039.db2.gz QFUNEIXGZALZOI-NQIIRXRSSA-N 1 1 404.518 3.072 50 0 HGAAMO Cc1c(C(=O)N2CCCCC2)nnn1-c1cccc2c1CC[N@H+](Cc1cccnc1)C2 ZINC000069976533 571252390 /nfs/dbraw/zinc/25/23/90/571252390.db2.gz DLZSGGOALPWCPO-UHFFFAOYSA-N 1 1 416.529 3.155 50 0 HGAAMO Cc1c(C(=O)N2CCCCC2)nnn1-c1cccc2c1CC[N@@H+](Cc1cccnc1)C2 ZINC000069976533 571252392 /nfs/dbraw/zinc/25/23/92/571252392.db2.gz DLZSGGOALPWCPO-UHFFFAOYSA-N 1 1 416.529 3.155 50 0 HGAAMO Cc1cccc(NC(=O)C[NH+]2CCC(c3nn(C)c(=O)n3-c3ccccc3)CC2)c1C ZINC000077100630 571311418 /nfs/dbraw/zinc/31/14/18/571311418.db2.gz PMILRHSPOZGROI-UHFFFAOYSA-N 1 1 419.529 3.006 50 0 HGAAMO Cc1ccc2c(c1)N(C(=O)CCC(=O)NCCC[N@H+](C)Cc1ccccc1)CCO2 ZINC000006798169 132317146 /nfs/dbraw/zinc/31/71/46/132317146.db2.gz IVABEDKSPPNMPM-UHFFFAOYSA-N 1 1 409.530 3.139 50 0 HGAAMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCN(c4ncccn4)CC3)c2c1C ZINC000007985808 132326542 /nfs/dbraw/zinc/32/65/42/132326542.db2.gz LLXBPYQMMDCORY-UHFFFAOYSA-N 1 1 409.563 3.021 50 0 HGAAMO CC(C)NS(=O)(=O)c1ccc(N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)nc1 ZINC000032869715 519733300 /nfs/dbraw/zinc/73/33/00/519733300.db2.gz IMOQSYDTZHDOIW-UHFFFAOYSA-N 1 1 422.982 3.134 50 0 HGAAMO CCOc1ccccc1C[N@@H+]1CCN(Cc2c(OC)cccc2OC)C[C@@H]1CCO ZINC000020598470 521484192 /nfs/dbraw/zinc/48/41/92/521484192.db2.gz GNUOLBHRWKSCMV-FQEVSTJZSA-N 1 1 414.546 3.171 50 0 HGAAMO CCOc1ccccc1C[N@H+]1CCN(Cc2c(OC)cccc2OC)C[C@@H]1CCO ZINC000020598470 521484203 /nfs/dbraw/zinc/48/42/03/521484203.db2.gz GNUOLBHRWKSCMV-FQEVSTJZSA-N 1 1 414.546 3.171 50 0 HGAAMO CC[C@H](CNC(=O)COc1ccc(N2CCCC2=O)cc1)[N@H+]1CCc2ccccc2C1 ZINC000032446978 522174646 /nfs/dbraw/zinc/17/46/46/522174646.db2.gz RYFKJFPKRQPHLX-OAQYLSRUSA-N 1 1 421.541 3.145 50 0 HGAAMO C[N@@H+](CCCNC(=O)C[C@H](NC(N)=O)c1ccc(Cl)cc1)Cc1ccccc1 ZINC000032765973 522759772 /nfs/dbraw/zinc/75/97/72/522759772.db2.gz DCROPYHRIPZRNY-IBGZPJMESA-N 1 1 402.926 3.078 50 0 HGAAMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Cn1ncc2ccccc2c1=O ZINC000032930758 524114388 /nfs/dbraw/zinc/11/43/88/524114388.db2.gz VSDPFXCDPOVPLZ-GOSISDBHSA-N 1 1 404.514 3.087 50 0 HGAAMO COc1ccccc1N1C(=O)C[C@H]([N@H+](C)Cc2ccc(Br)cc2)C1=O ZINC000032771847 524535433 /nfs/dbraw/zinc/53/54/33/524535433.db2.gz KQNXEKYREFQCNM-INIZCTEOSA-N 1 1 403.276 3.222 50 0 HGAAMO COc1ccccc1N1C(=O)C[C@H]([N@@H+](C)Cc2ccc(Br)cc2)C1=O ZINC000032771847 524535443 /nfs/dbraw/zinc/53/54/43/524535443.db2.gz KQNXEKYREFQCNM-INIZCTEOSA-N 1 1 403.276 3.222 50 0 HGAAMO C[C@H]1C[NH+](Cc2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc2)C[C@H](C)O1 ZINC000032824521 524615145 /nfs/dbraw/zinc/61/51/45/524615145.db2.gz PAZYSRJQVVYRPR-OALUTQOASA-N 1 1 411.521 3.397 50 0 HGAAMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000032873758 526923429 /nfs/dbraw/zinc/92/34/29/526923429.db2.gz SQLQDFGOPBPPBE-RBBKRZOGSA-N 1 1 409.505 3.069 50 0 HGAAMO O=S1(=O)CC[C@@H]([NH2+]Cc2ccc(Sc3ccc(Br)cc3)o2)C1 ZINC000041155249 527309018 /nfs/dbraw/zinc/30/90/18/527309018.db2.gz RQCUEAIAVUGFGA-GFCCVEGCSA-N 1 1 402.335 3.470 50 0 HGAAMO COC(=O)c1ccc(N2C(=O)C[C@H](Nc3ccc([NH+]4CCCCC4)cc3)C2=O)cc1 ZINC000004317807 536727894 /nfs/dbraw/zinc/72/78/94/536727894.db2.gz QHCIBKYFTWOUML-FQEVSTJZSA-N 1 1 407.470 3.208 50 0 HGAAMO CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CCc3sccc3[C@H]2c2ccccc2C)CC1 ZINC000034830312 557465962 /nfs/dbraw/zinc/46/59/62/557465962.db2.gz NHZCYZIPAKKYQU-HTAPYJJXSA-N 1 1 411.571 3.083 50 0 HGAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000034787685 557469487 /nfs/dbraw/zinc/46/94/87/557469487.db2.gz YYBCAPJTSZAVGP-QHCPKHFHSA-N 1 1 423.582 3.085 50 0 HGAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000034787685 557469489 /nfs/dbraw/zinc/46/94/89/557469489.db2.gz YYBCAPJTSZAVGP-QHCPKHFHSA-N 1 1 423.582 3.085 50 0 HGAAMO Cc1ccccc1-n1nc(C(=O)N2CCC[N@H+](C)CC2)nc1CCc1ccccc1 ZINC000034911938 557478365 /nfs/dbraw/zinc/47/83/65/557478365.db2.gz NHJKVZYIJQYYKO-UHFFFAOYSA-N 1 1 403.530 3.139 50 0 HGAAMO CCOC(=O)C1CC[NH+]([C@H](c2cccc(F)c2)c2c(O)cc(C)n(CC)c2=O)CC1 ZINC000022697113 557783869 /nfs/dbraw/zinc/78/38/69/557783869.db2.gz OKAKUJLOYBYVDK-OAQYLSRUSA-N 1 1 416.493 3.386 50 0 HGAAMO O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCC[N@@H+](Cc2cccc3c2OCO3)C1 ZINC000011763040 558273652 /nfs/dbraw/zinc/27/36/52/558273652.db2.gz ZYKDWGBQVYZCJV-GOSISDBHSA-N 1 1 404.470 3.452 50 0 HGAAMO CN(C[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1)C(=O)c1cc2ncccn2n1 ZINC000011813138 558277657 /nfs/dbraw/zinc/27/76/57/558277657.db2.gz DGBVGTAJULVXNW-SFHVURJKSA-N 1 1 411.937 3.409 50 0 HGAAMO O=C(CCN1Cc2ccccc2C1=O)N[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000011812747 558277771 /nfs/dbraw/zinc/27/77/71/558277771.db2.gz FBRJCAPTTZBUNR-JOCHJYFZSA-N 1 1 405.542 3.246 50 0 HGAAMO Cc1nnc(SCC(=O)N(C)[C@H]2CCC[N@@H+](CCCc3ccccc3)C2)s1 ZINC000011817107 558280451 /nfs/dbraw/zinc/28/04/51/558280451.db2.gz PLMPLYWZHZISJP-SFHVURJKSA-N 1 1 404.605 3.494 50 0 HGAAMO COc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)Cc2ccccc2OCCO)C1 ZINC000011817856 558281198 /nfs/dbraw/zinc/28/11/98/558281198.db2.gz QQABBQIJPJJSTC-NRFANRHFSA-N 1 1 412.574 3.453 50 0 HGAAMO CCCCOc1ccc(N2C(=O)C[C@H](N3CC[NH+](Cc4ccccc4)CC3)C2=O)cc1 ZINC000019830678 558291436 /nfs/dbraw/zinc/29/14/36/558291436.db2.gz LSJZXGBTQFCYAN-QHCPKHFHSA-N 1 1 421.541 3.315 50 0 HGAAMO O=C1C[C@@H]([NH+]2CCC(c3nc4ccccc4o3)CC2)C(=O)N1Cc1ccc(F)cc1 ZINC000019874759 558299991 /nfs/dbraw/zinc/29/99/91/558299991.db2.gz HPCYJYGCLKPKIL-LJQANCHMSA-N 1 1 407.445 3.474 50 0 HGAAMO CC1(C)[C@@H]2C[C@H]1C(C[N@@H+]1CCc3nnc(CNC(=O)c4cccc(F)c4)n3CC1)=CC2 ZINC000011974836 558305590 /nfs/dbraw/zinc/30/55/90/558305590.db2.gz MCTKULCGGMFTRV-ICSRJNTNSA-N 1 1 423.536 3.198 50 0 HGAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cnn(-c2nccc(-c3ccco3)n2)c1C(C)C ZINC000012021366 558309407 /nfs/dbraw/zinc/30/94/07/558309407.db2.gz JMKIPCJLHUDXNZ-MRXNPFEDSA-N 1 1 408.506 3.260 50 0 HGAAMO COc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)c(OC)c1OC ZINC000012074058 558318962 /nfs/dbraw/zinc/31/89/62/558318962.db2.gz XEBUQDKFTYTZPA-MRXNPFEDSA-N 1 1 402.466 3.246 50 0 HGAAMO COc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)c(OC)c1OC ZINC000012074058 558318965 /nfs/dbraw/zinc/31/89/65/558318965.db2.gz XEBUQDKFTYTZPA-MRXNPFEDSA-N 1 1 402.466 3.246 50 0 HGAAMO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020010751 558318941 /nfs/dbraw/zinc/31/89/41/558318941.db2.gz GJJCJDOUTRSIIN-UHFFFAOYSA-N 1 1 400.832 3.208 50 0 HGAAMO Cc1ccc(C(=O)N/C(=C\c2cn(C)c3ccccc23)C(=O)N2CC[NH+](C)CC2)cc1 ZINC000020130192 558337038 /nfs/dbraw/zinc/33/70/38/558337038.db2.gz HVRDVCOGGAADRA-JWGURIENSA-N 1 1 416.525 3.032 50 0 HGAAMO O=C(CC[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000020455183 558368971 /nfs/dbraw/zinc/36/89/71/558368971.db2.gz VVISKCLLOHHJGG-QHCPKHFHSA-N 1 1 406.574 3.418 50 0 HGAAMO COc1cccc(C[N@H+]2CCC[C@]3(CCN(C(=O)Cc4cccnc4)C3)C2)c1OC ZINC000012434558 558408308 /nfs/dbraw/zinc/40/83/08/558408308.db2.gz VTSLKVUVEHDOGS-DEOSSOPVSA-N 1 1 409.530 3.156 50 0 HGAAMO COc1ccc(C2(C(=O)N3CC[NH+](Cc4ccccc4)CC3)CCOCC2)cc1OC ZINC000020745452 558410237 /nfs/dbraw/zinc/41/02/37/558410237.db2.gz RZFIVGLQXNEWAG-UHFFFAOYSA-N 1 1 424.541 3.096 50 0 HGAAMO CC[N@H+]1CC[C@@]2(CCN(C(=O)c3cc(COc4ccc(OC)cc4Cl)on3)C2)C1 ZINC000020782457 558413185 /nfs/dbraw/zinc/41/31/85/558413185.db2.gz WFKGSRXNBDAVLQ-OAQYLSRUSA-N 1 1 419.909 3.474 50 0 HGAAMO COc1ccc(CN2CC[N@@H+](Cc3cccc4ncccc34)C[C@@H]2CCO)c(F)c1 ZINC000020918922 558423491 /nfs/dbraw/zinc/42/34/91/558423491.db2.gz YCIZPUQTUOGMNB-FQEVSTJZSA-N 1 1 409.505 3.451 50 0 HGAAMO COCc1ccc(C(=O)N2CCC[C@@H]([N@@H+](C)CCc3ccc(OC)c(OC)c3)C2)o1 ZINC000012480083 558423500 /nfs/dbraw/zinc/42/35/00/558423500.db2.gz RMBWUOXJLHEIHR-GOSISDBHSA-N 1 1 416.518 3.222 50 0 HGAAMO CCOC(=O)N1CCC([N@H+]2CCC[C@@H](N3CCN(c4ccccc4F)CC3)C2)CC1 ZINC000020998814 558427973 /nfs/dbraw/zinc/42/79/73/558427973.db2.gz GMITWXVQCDFGJM-HXUWFJFHSA-N 1 1 418.557 3.033 50 0 HGAAMO CC(=O)c1ccc(OCC(=O)N(C)[C@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)cc1 ZINC000012587290 558434410 /nfs/dbraw/zinc/43/44/10/558434410.db2.gz MQEGRJPBVVGYOE-QFIPXVFZSA-N 1 1 406.526 3.358 50 0 HGAAMO O=C(C[NH+]1CCC(C(=O)NCc2ccccc2)CC1)Nc1ccc(F)c(Cl)c1 ZINC000012803552 558472717 /nfs/dbraw/zinc/47/27/17/558472717.db2.gz PATGLHVKHJFOKU-UHFFFAOYSA-N 1 1 403.885 3.446 50 0 HGAAMO COc1ccc2[nH]c(C[N@@H+]3CCN(Cc4cccc(C)n4)[C@@H](CCO)C3)c(C)c2c1 ZINC000022913269 558520295 /nfs/dbraw/zinc/52/02/95/558520295.db2.gz PKWVCJOVOQWBIA-FQEVSTJZSA-N 1 1 408.546 3.257 50 0 HGAAMO COc1ccc2[nH]c(C[N@H+]3CCN(Cc4cccc(C)n4)[C@@H](CCO)C3)c(C)c2c1 ZINC000022913269 558520298 /nfs/dbraw/zinc/52/02/98/558520298.db2.gz PKWVCJOVOQWBIA-FQEVSTJZSA-N 1 1 408.546 3.257 50 0 HGAAMO COc1ccc2[nH]c(CN3CC[N@H+](Cc4cccc(C)n4)[C@@H](CCO)C3)c(C)c2c1 ZINC000022913269 558520301 /nfs/dbraw/zinc/52/03/01/558520301.db2.gz PKWVCJOVOQWBIA-FQEVSTJZSA-N 1 1 408.546 3.257 50 0 HGAAMO COc1ccc2[nH]c(CN3CC[N@@H+](Cc4cccc(C)n4)[C@@H](CCO)C3)c(C)c2c1 ZINC000022913269 558520305 /nfs/dbraw/zinc/52/03/05/558520305.db2.gz PKWVCJOVOQWBIA-FQEVSTJZSA-N 1 1 408.546 3.257 50 0 HGAAMO CN(Cc1ccccc1)C(=O)c1nc2ccccn2c1CNCC[NH+]1CCCCC1 ZINC000022918403 558522135 /nfs/dbraw/zinc/52/21/35/558522135.db2.gz MISWEQSMSSCYJI-UHFFFAOYSA-N 1 1 405.546 3.182 50 0 HGAAMO CCOc1cccc(C[N@@H+]2CCN(Cc3cc(OC)cc(OC)c3)[C@@H](CCO)C2)c1 ZINC000022919246 558522302 /nfs/dbraw/zinc/52/23/02/558522302.db2.gz RZTRHLYKZRZVCO-NRFANRHFSA-N 1 1 414.546 3.171 50 0 HGAAMO CCOc1cccc(C[N@H+]2CCN(Cc3cc(OC)cc(OC)c3)[C@@H](CCO)C2)c1 ZINC000022919246 558522304 /nfs/dbraw/zinc/52/23/04/558522304.db2.gz RZTRHLYKZRZVCO-NRFANRHFSA-N 1 1 414.546 3.171 50 0 HGAAMO COc1cc(CN2CC[N@@H+](Cc3ccccc3C)[C@@H](CCO)C2)cc(OC)c1OC ZINC000022919699 558522523 /nfs/dbraw/zinc/52/25/23/558522523.db2.gz FJMWVTHKRMVVLX-NRFANRHFSA-N 1 1 414.546 3.090 50 0 HGAAMO C[C@H](NC(=O)C[NH+]1CCC(NC(=O)c2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000023147538 558538398 /nfs/dbraw/zinc/53/83/98/558538398.db2.gz WMTKEULAVGEMOF-HNNXBMFYSA-N 1 1 401.457 3.036 50 0 HGAAMO COc1ccc(CC[N@@H+](C)[C@@H]2CCCN(Cc3cnc(SC)nc3)C2)cc1OC ZINC000023360920 558552078 /nfs/dbraw/zinc/55/20/78/558552078.db2.gz GMOFKHYKGKAIBL-LJQANCHMSA-N 1 1 416.591 3.355 50 0 HGAAMO COc1ccc(C[N@@H+]2CCC[C@H](N3CCN(c4ccccc4OC)CC3)C2)cc1O ZINC000023374289 558554112 /nfs/dbraw/zinc/55/41/12/558554112.db2.gz VIPLJIXTOPZJKT-FQEVSTJZSA-N 1 1 411.546 3.196 50 0 HGAAMO COc1ccc(C[N@H+]2CCC[C@H](N3CCN(c4ccccc4OC)CC3)C2)cc1O ZINC000023374289 558554115 /nfs/dbraw/zinc/55/41/15/558554115.db2.gz VIPLJIXTOPZJKT-FQEVSTJZSA-N 1 1 411.546 3.196 50 0 HGAAMO CC(C)Oc1ccc(Cc2c(O)nc(NCCC[NH+]3CCCCC3)[nH]c2=O)cc1 ZINC000013765184 558591284 /nfs/dbraw/zinc/59/12/84/558591284.db2.gz WOHPVJNFGBRUTD-UHFFFAOYSA-N 1 1 400.523 3.141 50 0 HGAAMO C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[NH+]1CCC(c2nc3ccccc3o2)CC1 ZINC000025049850 558628565 /nfs/dbraw/zinc/62/85/65/558628565.db2.gz LGVAATYSXZBGLQ-ZDUSSCGKSA-N 1 1 405.458 3.204 50 0 HGAAMO C[C@H](C(=O)N1CCc2ccccc21)[NH+]1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000025151408 558632896 /nfs/dbraw/zinc/63/28/96/558632896.db2.gz HQHCRXGUDVIGEE-QGZVFWFLSA-N 1 1 420.509 3.330 50 0 HGAAMO CCOC(=O)c1cccc(OC[C@H](O)C[N@H+](C)Cc2nc3ccccc3s2)c1 ZINC000025233640 558635198 /nfs/dbraw/zinc/63/51/98/558635198.db2.gz VMIKLJFXRFKUNR-MRXNPFEDSA-N 1 1 400.500 3.345 50 0 HGAAMO CCOC(=O)c1cccc(OC[C@H](O)C[N@@H+](C)Cc2nc3ccccc3s2)c1 ZINC000025233640 558635201 /nfs/dbraw/zinc/63/52/01/558635201.db2.gz VMIKLJFXRFKUNR-MRXNPFEDSA-N 1 1 400.500 3.345 50 0 HGAAMO COc1ccc(C[N@H+](CC(=O)N2CCN(Cc3ccccc3F)CC2)C2CC2)cc1 ZINC000014242644 558645146 /nfs/dbraw/zinc/64/51/46/558645146.db2.gz ZBAMLRWSMGBTJT-UHFFFAOYSA-N 1 1 411.521 3.143 50 0 HGAAMO COc1ccc(C[N@@H+](CC(=O)N2CCN(Cc3ccccc3F)CC2)C2CC2)cc1 ZINC000014242644 558645147 /nfs/dbraw/zinc/64/51/47/558645147.db2.gz ZBAMLRWSMGBTJT-UHFFFAOYSA-N 1 1 411.521 3.143 50 0 HGAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1ccc(OCc2ccncc2)cc1 ZINC000027580183 558675552 /nfs/dbraw/zinc/67/55/52/558675552.db2.gz UEBNLYUJLHVPEX-UHFFFAOYSA-N 1 1 409.530 3.426 50 0 HGAAMO O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCC[N@H+](C2CSCCSC2)C1 ZINC000014960643 558683811 /nfs/dbraw/zinc/68/38/11/558683811.db2.gz REAILMZJOYCTSJ-INIZCTEOSA-N 1 1 402.589 3.371 50 0 HGAAMO CCOC(=O)N1CC[NH+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)CC1 ZINC000028843713 558705906 /nfs/dbraw/zinc/70/59/06/558705906.db2.gz CGYRFSISXUMITF-FQEVSTJZSA-N 1 1 401.532 3.118 50 0 HGAAMO CC[NH+](CC)C[C@@H](O)COc1cc(CNCc2ccc(F)c(F)c2)ccc1OC ZINC000015070293 558712310 /nfs/dbraw/zinc/71/23/10/558712310.db2.gz WMPZMBPQYNXOHO-GOSISDBHSA-N 1 1 408.489 3.345 50 0 HGAAMO O[C@@H]1C[N@@H+](Cc2c[nH]c3ccccc23)CC[C@H]1N1CCN(c2ccccc2F)CC1 ZINC000015071302 558712975 /nfs/dbraw/zinc/71/29/75/558712975.db2.gz QJBRHXQVKBBJFK-DNQXCXABSA-N 1 1 408.521 3.064 50 0 HGAAMO CC(C)c1ccc(C[NH+]2CCN(C(=O)[C@H]3CCCN(c4cnccn4)C3)CC2)cc1 ZINC000029756735 558720130 /nfs/dbraw/zinc/72/01/30/558720130.db2.gz TWCVUASOKCYSPT-QFIPXVFZSA-N 1 1 407.562 3.161 50 0 HGAAMO CSCc1nc2ccccc2n1CC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000029882778 558723236 /nfs/dbraw/zinc/72/32/36/558723236.db2.gz PBKSNGURQDZYMX-UHFFFAOYSA-N 1 1 424.570 3.048 50 0 HGAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)Cn1nnc(-c2ccccc2Cl)n1 ZINC000015276319 558730052 /nfs/dbraw/zinc/73/00/52/558730052.db2.gz SSDCVOWMGCLSRS-FXAWDEMLSA-N 1 1 422.920 3.136 50 0 HGAAMO COc1ccc(-c2noc(C[N@@H+]3CCC[C@H](C(=O)NCCC(C)C)C3)n2)cc1OC ZINC000015726095 558750849 /nfs/dbraw/zinc/75/08/49/558750849.db2.gz UCSHNHTXWQDSLZ-KRWDZBQOSA-N 1 1 416.522 3.128 50 0 HGAAMO COc1ccc(-c2noc(C[N@H+]3CCC[C@H](C(=O)NCCC(C)C)C3)n2)cc1OC ZINC000015726095 558750853 /nfs/dbraw/zinc/75/08/53/558750853.db2.gz UCSHNHTXWQDSLZ-KRWDZBQOSA-N 1 1 416.522 3.128 50 0 HGAAMO Cc1nc(N2CCCC2)cc(N2CCN(C(=O)Nc3cc(F)cc(F)c3)CC2)[nH+]1 ZINC000033326789 558766912 /nfs/dbraw/zinc/76/69/12/558766912.db2.gz QWRBRYNXAIILIP-UHFFFAOYSA-N 1 1 402.449 3.018 50 0 HGAAMO O=C(NCc1nc(CN2CC[NH+](Cc3cccs3)CC2)cs1)c1ccccc1 ZINC000072309049 558771866 /nfs/dbraw/zinc/77/18/66/558771866.db2.gz AZTFVKWNSNHEFP-UHFFFAOYSA-N 1 1 412.584 3.452 50 0 HGAAMO COc1ccc2c(c1)C=C(CN1CC[N@@H+](CC3CCCCC3)[C@H](CCO)C1)CO2 ZINC000039510520 558821902 /nfs/dbraw/zinc/82/19/02/558821902.db2.gz IIMSVDZEPGIUPE-JOCHJYFZSA-N 1 1 400.563 3.420 50 0 HGAAMO CCOc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(Nc4ccc(OC)cc4)CC3)C2=O)cc1 ZINC000018271434 558835195 /nfs/dbraw/zinc/83/51/95/558835195.db2.gz GQVKCKLTBQDGMN-JOCHJYFZSA-N 1 1 423.513 3.302 50 0 HGAAMO Cc1nnc(C(=O)Nc2cccc(C(=O)NCCC[N@H+](C)C3CCCCC3)c2)s1 ZINC000033022640 558838046 /nfs/dbraw/zinc/83/80/46/558838046.db2.gz RKRJUPONRDWSTJ-UHFFFAOYSA-N 1 1 415.563 3.483 50 0 HGAAMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(OC)cc2OC)C1 ZINC000046030433 558839354 /nfs/dbraw/zinc/83/93/54/558839354.db2.gz VOVOVZUFWRNSMP-MRXNPFEDSA-N 1 1 400.523 3.174 50 0 HGAAMO O=S(=O)(Cc1ccccc1)NC[C@@H]1CCC[N@@H+](Cc2ccc(O)c(Cl)c2)C1 ZINC000019148835 558847103 /nfs/dbraw/zinc/84/71/03/558847103.db2.gz GABIVWRTHQRHRT-SFHVURJKSA-N 1 1 408.951 3.377 50 0 HGAAMO O=S(=O)(Cc1ccccc1)NC[C@@H]1CCC[N@H+](Cc2ccc(O)c(Cl)c2)C1 ZINC000019148835 558847104 /nfs/dbraw/zinc/84/71/04/558847104.db2.gz GABIVWRTHQRHRT-SFHVURJKSA-N 1 1 408.951 3.377 50 0 HGAAMO Cc1nc(NCCNC(=O)Nc2ccc3ccccc3c2)cc(N2CCOCC2)[nH+]1 ZINC000049422545 558849029 /nfs/dbraw/zinc/84/90/29/558849029.db2.gz DCVJBTHNQUVWKX-UHFFFAOYSA-N 1 1 406.490 3.008 50 0 HGAAMO Cc1cccc(C[N@@H+]2CCc3nnc([C@@H](CC(C)C)NC(=O)c4ccco4)n3CC2)n1 ZINC000019300263 558866155 /nfs/dbraw/zinc/86/61/55/558866155.db2.gz QRNPODXUUVTTFS-LJQANCHMSA-N 1 1 422.533 3.150 50 0 HGAAMO COc1ccc(CCN2C(=O)O[C@@H]3C[N@@H+](Cc4cccc5cnccc54)C[C@@H]32)cc1 ZINC000055211564 558876235 /nfs/dbraw/zinc/87/62/35/558876235.db2.gz CGSNQLGTCLSWKO-XZOQPEGZSA-N 1 1 403.482 3.491 50 0 HGAAMO COc1ccc(CCN2C(=O)O[C@@H]3C[N@H+](Cc4cccc5cnccc54)C[C@@H]32)cc1 ZINC000055211564 558876237 /nfs/dbraw/zinc/87/62/37/558876237.db2.gz CGSNQLGTCLSWKO-XZOQPEGZSA-N 1 1 403.482 3.491 50 0 HGAAMO CC(C)NC(=O)Nc1ccccc1C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000058148689 558902288 /nfs/dbraw/zinc/90/22/88/558902288.db2.gz NDFXDLLMZVQVLD-GOSISDBHSA-N 1 1 424.545 3.367 50 0 HGAAMO CC(C)NC(=O)Nc1ccccc1C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000058148689 558902291 /nfs/dbraw/zinc/90/22/91/558902291.db2.gz NDFXDLLMZVQVLD-GOSISDBHSA-N 1 1 424.545 3.367 50 0 HGAAMO O=C(NCc1ccc2c(c1)OCO2)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000058245628 558914512 /nfs/dbraw/zinc/91/45/12/558914512.db2.gz RBOIYKOLPCYNFS-UHFFFAOYSA-N 1 1 422.485 3.024 50 0 HGAAMO CCOC(=O)c1cnn(-c2cccc(NC(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)c2)c1C ZINC000058344938 558921142 /nfs/dbraw/zinc/92/11/42/558921142.db2.gz NGKRZSJVLWQIOY-WOJBJXKFSA-N 1 1 411.506 3.106 50 0 HGAAMO COc1ccccc1N1CCN([C@H]2CCC[N@H+](C3CSCCSC3)C2)CC1 ZINC000019595243 558946182 /nfs/dbraw/zinc/94/61/82/558946182.db2.gz MZPUUJJAWPNVAV-SFHVURJKSA-N 1 1 407.649 3.130 50 0 HGAAMO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1nnc(C(=O)Nc2cccc(Cl)c2)s1 ZINC000033060346 558954801 /nfs/dbraw/zinc/95/48/01/558954801.db2.gz FXVGIJXRKWVMLM-GFCCVEGCSA-N 1 1 407.927 3.048 50 0 HGAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1nnc(C(=O)Nc2cccc(Cl)c2)s1 ZINC000033060346 558954805 /nfs/dbraw/zinc/95/48/05/558954805.db2.gz FXVGIJXRKWVMLM-GFCCVEGCSA-N 1 1 407.927 3.048 50 0 HGAAMO Clc1cccc(Cl)c1Cc1noc(CC[NH+]2CCN(c3ncccn3)CC2)n1 ZINC000072406256 558986717 /nfs/dbraw/zinc/98/67/17/558986717.db2.gz LDYKUWRMVHVLBV-UHFFFAOYSA-N 1 1 419.316 3.122 50 0 HGAAMO COc1cc(C[NH2+]CC2(N[C@@H](C)c3ccccc3)CCOCC2)cc2c1OCCO2 ZINC000097002585 558987597 /nfs/dbraw/zinc/98/75/97/558987597.db2.gz DSWFZCRDDVWXDO-SFHVURJKSA-N 1 1 412.530 3.456 50 0 HGAAMO CN1CCN(c2ccc(NC(=O)C3CC[NH+](Cc4ccc(F)cc4)CC3)cc2)CC1 ZINC000067622121 558989886 /nfs/dbraw/zinc/98/98/86/558989886.db2.gz HTCOFZDUIZTBKR-UHFFFAOYSA-N 1 1 410.537 3.428 50 0 HGAAMO CN(Cc1cnccn1)C(=O)c1cc(C[NH+]2CCC(Cc3ccccc3)CC2)on1 ZINC000067726169 558991893 /nfs/dbraw/zinc/99/18/93/558991893.db2.gz RXOHVKOWCOHRIX-UHFFFAOYSA-N 1 1 405.502 3.192 50 0 HGAAMO CN(Cc1nccn1C)C(=O)c1cc(C[NH+]2CCC(Cc3ccccc3)CC2)on1 ZINC000067855120 558994014 /nfs/dbraw/zinc/99/40/14/558994014.db2.gz XRQGIDLVOVHZTP-UHFFFAOYSA-N 1 1 407.518 3.135 50 0 HGAAMO CC(C)CC(=O)[C@H]1CCCN(C(=O)c2ccc(N3CC[N@@H+](C)C(C)(C)C3)nc2)C1 ZINC000067947762 558994901 /nfs/dbraw/zinc/99/49/01/558994901.db2.gz BHTWQSPJLJEGQZ-IBGZPJMESA-N 1 1 400.567 3.079 50 0 HGAAMO O=C(Nc1ccc(-c2cc[nH]n2)cc1)[C@@H]1CCC[N@@H+](Cc2cccc3nonc32)C1 ZINC000077351997 559001962 /nfs/dbraw/zinc/00/19/62/559001962.db2.gz QNHQWFLMPKTTDX-QGZVFWFLSA-N 1 1 402.458 3.464 50 0 HGAAMO O=C(Nc1ccc(-c2cc[nH]n2)cc1)[C@H]1CCC[N@@H+](Cc2cccc3nonc32)C1 ZINC000077351996 559002003 /nfs/dbraw/zinc/00/20/03/559002003.db2.gz QNHQWFLMPKTTDX-KRWDZBQOSA-N 1 1 402.458 3.464 50 0 HGAAMO Cc1cccc(C)c1N1C(=O)C[C@H]([NH+]2CCC(C(=O)Nc3ccccc3)CC2)C1=O ZINC000096924939 559013057 /nfs/dbraw/zinc/01/30/57/559013057.db2.gz MDGDOIWAOLMCHL-FQEVSTJZSA-N 1 1 405.498 3.286 50 0 HGAAMO Cc1ccnc(CNC(=O)[C@H]2CCC[N@H+](C3CCN(CCc4ccccc4)CC3)C2)c1 ZINC000082125559 559039632 /nfs/dbraw/zinc/03/96/32/559039632.db2.gz GVJRZZDRGZSQTC-QHCPKHFHSA-N 1 1 420.601 3.425 50 0 HGAAMO COC1CCN(C(=O)[C@@H]2CCC[N@H+](C3CCN(CCc4ccccc4)CC3)C2)CC1 ZINC000082155912 559041390 /nfs/dbraw/zinc/04/13/90/559041390.db2.gz JCLQTTLFLWFVIG-JOCHJYFZSA-N 1 1 413.606 3.043 50 0 HGAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1cn(C)c(=O)c2c1c1ccccc1n2C ZINC000004787801 559064275 /nfs/dbraw/zinc/06/42/75/559064275.db2.gz OUCDQKULCAYKRW-KRWDZBQOSA-N 1 1 408.546 3.415 50 0 HGAAMO Cc1nc2cc(OCc3nc(C(=O)N(C)C[C@H]4CC[N@@H+](C)C4)co3)ccc2s1 ZINC000091416795 559071527 /nfs/dbraw/zinc/07/15/27/559071527.db2.gz UPPITVSSPAIALS-AWEZNQCLSA-N 1 1 400.504 3.195 50 0 HGAAMO OCC[C@@H]1C[N@H+](Cc2cc(F)ccc2-n2cccn2)CCN1Cc1ccc(F)cc1 ZINC000091427547 559071540 /nfs/dbraw/zinc/07/15/40/559071540.db2.gz LDLLCOAPKUJZFB-JOCHJYFZSA-N 1 1 412.484 3.219 50 0 HGAAMO OCC[C@@H]1C[N@@H+](Cc2cc(F)ccc2-n2cccn2)CCN1Cc1ccc(F)cc1 ZINC000091427547 559071542 /nfs/dbraw/zinc/07/15/42/559071542.db2.gz LDLLCOAPKUJZFB-JOCHJYFZSA-N 1 1 412.484 3.219 50 0 HGAAMO OCC[C@@H]1CN(Cc2cc(F)ccc2-n2cccn2)CC[N@@H+]1Cc1ccc(F)cc1 ZINC000091427547 559071543 /nfs/dbraw/zinc/07/15/43/559071543.db2.gz LDLLCOAPKUJZFB-JOCHJYFZSA-N 1 1 412.484 3.219 50 0 HGAAMO OCC[C@@H]1CN(Cc2cc(F)ccc2-n2cccn2)CC[N@H+]1Cc1ccc(F)cc1 ZINC000091427547 559071545 /nfs/dbraw/zinc/07/15/45/559071545.db2.gz LDLLCOAPKUJZFB-JOCHJYFZSA-N 1 1 412.484 3.219 50 0 HGAAMO COCC(=O)NCc1cc2n(n1)CCC[N@H+](Cc1ccc(C3CCCC3)s1)C2 ZINC000091933300 559074677 /nfs/dbraw/zinc/07/46/77/559074677.db2.gz LAIMOIIBSMFVCL-UHFFFAOYSA-N 1 1 402.564 3.271 50 0 HGAAMO COCC(=O)NCc1cc2n(n1)CCC[N@@H+](Cc1ccc(C3CCCC3)s1)C2 ZINC000091933300 559074679 /nfs/dbraw/zinc/07/46/79/559074679.db2.gz LAIMOIIBSMFVCL-UHFFFAOYSA-N 1 1 402.564 3.271 50 0 HGAAMO O=C(C1CC1)N1CCc2[nH]cnc2C12CC[NH+](Cc1cc(F)cc(Cl)c1)CC2 ZINC000095516774 559084539 /nfs/dbraw/zinc/08/45/39/559084539.db2.gz VSZHHKPBALWKIE-UHFFFAOYSA-N 1 1 402.901 3.488 50 0 HGAAMO COC(=O)c1ccc(N2C(=O)C[C@@H](Nc3ccc([NH+]4CCCCC4)cc3)C2=O)cc1 ZINC000101129451 559143507 /nfs/dbraw/zinc/14/35/07/559143507.db2.gz QHCIBKYFTWOUML-HXUWFJFHSA-N 1 1 407.470 3.208 50 0 HGAAMO Cc1oc(-c2ccc(C)cc2)nc1C[S@@](=O)CC(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000005058069 559238364 /nfs/dbraw/zinc/23/83/64/559238364.db2.gz VGIOORNWHGPWLE-ADKRDUOOSA-N 1 1 417.575 3.198 50 0 HGAAMO Cc1oc(-c2ccc(C)cc2)nc1C[S@@](=O)CC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000005058069 559238366 /nfs/dbraw/zinc/23/83/66/559238366.db2.gz VGIOORNWHGPWLE-ADKRDUOOSA-N 1 1 417.575 3.198 50 0 HGAAMO CCOc1cc(C[N@H+](CC(=O)NC(=O)NC(C)(C)C)C2CC2)ccc1OC(F)F ZINC000024216730 559278879 /nfs/dbraw/zinc/27/88/79/559278879.db2.gz FDIBRICZCZCURG-UHFFFAOYSA-N 1 1 413.465 3.275 50 0 HGAAMO CCOc1cc(C[N@@H+](CC(=O)NC(=O)NC(C)(C)C)C2CC2)ccc1OC(F)F ZINC000024216730 559278880 /nfs/dbraw/zinc/27/88/80/559278880.db2.gz FDIBRICZCZCURG-UHFFFAOYSA-N 1 1 413.465 3.275 50 0 HGAAMO N=c1c2c(ncn1CCC[NH+]1CCOCC1)Oc1cc(O)ccc1[C@@H]2c1ccccc1 ZINC000005219256 560544130 /nfs/dbraw/zinc/54/41/30/560544130.db2.gz QRNMKPDJCRZKOT-NRFANRHFSA-N 1 1 418.497 3.076 50 0 HGAAMO C[NH+]1CCN(c2ccc(-c3ccc(NC(=O)c4ccc(F)cc4F)cc3)nn2)CC1 ZINC000005259444 560553697 /nfs/dbraw/zinc/55/36/97/560553697.db2.gz NADZFLOOGPWRGT-UHFFFAOYSA-N 1 1 409.440 3.426 50 0 HGAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)Cn1ccc2c1cccc2OC ZINC000409414728 560723298 /nfs/dbraw/zinc/72/32/98/560723298.db2.gz VNKJYWAHPZPDPP-PZJWPPBQSA-N 1 1 413.562 3.389 50 0 biogenic HGAAMO COCCCN(C[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)c1cc(-c2cccnc2)n[nH]1 ZINC000409415108 560723447 /nfs/dbraw/zinc/72/34/47/560723447.db2.gz TZXOHCPJFHMULX-UGKGYDQZSA-N 1 1 411.550 3.215 50 0 HGAAMO COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)c1cc(-c2cccnc2)[nH]n1 ZINC000409415108 560723448 /nfs/dbraw/zinc/72/34/48/560723448.db2.gz TZXOHCPJFHMULX-UGKGYDQZSA-N 1 1 411.550 3.215 50 0 HGAAMO COCCCN(C[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)c1cc(-c2cccnc2)[nH]n1 ZINC000409415108 560723449 /nfs/dbraw/zinc/72/34/49/560723449.db2.gz TZXOHCPJFHMULX-UGKGYDQZSA-N 1 1 411.550 3.215 50 0 HGAAMO COc1cc2c(cc1OC)-c1n[nH]c(C(=O)N(C)C[C@H]3CCC[N@H+]4CCCC[C@H]34)c1C2 ZINC000409415208 560723592 /nfs/dbraw/zinc/72/35/92/560723592.db2.gz WYONCSJRVNDSTA-DNVCBOLYSA-N 1 1 424.545 3.335 50 0 HGAAMO COc1cc2c(cc1OC)-c1[nH]nc(C(=O)N(C)C[C@H]3CCC[N@@H+]4CCCC[C@H]34)c1C2 ZINC000409415208 560723593 /nfs/dbraw/zinc/72/35/93/560723593.db2.gz WYONCSJRVNDSTA-DNVCBOLYSA-N 1 1 424.545 3.335 50 0 HGAAMO COc1cc2c(cc1OC)-c1[nH]nc(C(=O)N(C)C[C@H]3CCC[N@H+]4CCCC[C@H]34)c1C2 ZINC000409415208 560723595 /nfs/dbraw/zinc/72/35/95/560723595.db2.gz WYONCSJRVNDSTA-DNVCBOLYSA-N 1 1 424.545 3.335 50 0 HGAAMO O=C1Nc2ccccc2[C@@]12[C@@H]1C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]1[C@H]1CCC[N@H+]12 ZINC000018167060 560780617 /nfs/dbraw/zinc/78/06/17/560780617.db2.gz MKPIBSLBSTYPPT-ZUVQJFRASA-N 1 1 423.472 3.271 50 0 HGAAMO CCN([C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc2c(c1)C(=O)OC2 ZINC000106132599 560884812 /nfs/dbraw/zinc/88/48/12/560884812.db2.gz ZRNZAWGGLVDCSL-VQIMIIECSA-N 1 1 414.527 3.203 50 0 HGAAMO O=C(Nc1ccccc1OC(F)F)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000107357553 560896242 /nfs/dbraw/zinc/89/62/42/560896242.db2.gz RFSJONJVHKYTDY-SJORKVTESA-N 1 1 405.445 3.293 50 0 HGAAMO CCc1nn2c(nc(C[N@H+](CCOC)Cc3ccc(C(C)C)cc3)cc2=O)s1 ZINC000046032530 568424615 /nfs/dbraw/zinc/42/46/15/568424615.db2.gz FNCAKUDCAJUMQK-UHFFFAOYSA-N 1 1 400.548 3.485 50 0 HGAAMO CCc1nn2c(nc(C[N@@H+](CCOC)Cc3ccc(C(C)C)cc3)cc2=O)s1 ZINC000046032530 568424617 /nfs/dbraw/zinc/42/46/17/568424617.db2.gz FNCAKUDCAJUMQK-UHFFFAOYSA-N 1 1 400.548 3.485 50 0 HGAAMO C[N@H+]1CCCN(c2ccc(CNC(=O)Cc3csc(-c4ccccc4)n3)cn2)CC1 ZINC000048263886 568433775 /nfs/dbraw/zinc/43/37/75/568433775.db2.gz MQZAZYHMUATQOG-UHFFFAOYSA-N 1 1 421.570 3.206 50 0 HGAAMO COc1ccccc1N(CCC(N)=O)C(=O)C[N@H+]1CCC[C@H]1CCc1ccccc1 ZINC000048362344 568441611 /nfs/dbraw/zinc/44/16/11/568441611.db2.gz BEENQSLUEJMGCT-FQEVSTJZSA-N 1 1 409.530 3.001 50 0 HGAAMO Cc1nc2c(c(=O)n1CC(=O)Nc1c(F)cccc1F)C[N@@H+](Cc1ccccc1)CC2 ZINC000049400849 568447619 /nfs/dbraw/zinc/44/76/19/568447619.db2.gz BXGLMOMNAZBRCY-UHFFFAOYSA-N 1 1 424.451 3.027 50 0 HGAAMO COC(=O)C[C@@H](c1ccc(O)c(Cl)c1)c1oc(C[NH+]2CCCCC2)cc(=O)c1O ZINC000218267748 568477081 /nfs/dbraw/zinc/47/70/81/568477081.db2.gz WDTJSXQKSJZPOT-HNNXBMFYSA-N 1 1 421.877 3.385 50 0 HGAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1cccc(NC(=O)c2nnc(C3CC3)s2)c1 ZINC000033023054 568510457 /nfs/dbraw/zinc/51/04/57/568510457.db2.gz OAWNUHNYLWSKDH-AWEZNQCLSA-N 1 1 413.547 3.272 50 0 HGAAMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(F)cc1Br ZINC000024178659 568510989 /nfs/dbraw/zinc/51/09/89/568510989.db2.gz HQXKJOSXHXHTLB-UHFFFAOYSA-N 1 1 407.283 3.350 50 0 HGAAMO COc1cc(CCC(=O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)ccc1O ZINC000020111802 568588854 /nfs/dbraw/zinc/58/88/54/568588854.db2.gz UYUWUIMYTRYHCC-QGZVFWFLSA-N 1 1 413.470 3.259 50 0 biogenic HGAAMO COc1cc(CCC(=O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)ccc1O ZINC000020111802 568588857 /nfs/dbraw/zinc/58/88/57/568588857.db2.gz UYUWUIMYTRYHCC-QGZVFWFLSA-N 1 1 413.470 3.259 50 0 biogenic HGAAMO CC[NH+]1CCN([C@H](c2cccs2)[C@H](C)NC(=O)c2cccc(OC)c2OC)CC1 ZINC000020288089 568597625 /nfs/dbraw/zinc/59/76/25/568597625.db2.gz JGRZWCOBOHKORQ-JXFKEZNVSA-N 1 1 417.575 3.262 50 0 HGAAMO Cc1nc2cc(C)ccn2c1CN1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000095457013 568617871 /nfs/dbraw/zinc/61/78/71/568617871.db2.gz RLBCKEDDZGXSGE-HSZRJFAPSA-N 1 1 403.574 3.343 50 0 HGAAMO CCCN(C)c1ccc(C(=O)N2CCC(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000095459672 568619733 /nfs/dbraw/zinc/61/97/33/568619733.db2.gz GXAGBJXVYCQLHZ-WOJBJXKFSA-N 1 1 417.594 3.263 50 0 HGAAMO C[N@@H+](Cc1nccn1CC(F)(F)F)C[C@H]1C(=O)Nc2cc(Br)ccc21 ZINC000095467798 568624788 /nfs/dbraw/zinc/62/47/88/568624788.db2.gz FDPNFVAZXKZZJI-GFCCVEGCSA-N 1 1 417.229 3.376 50 0 HGAAMO C[N@H+](Cc1nccn1CC(F)(F)F)C[C@H]1C(=O)Nc2cc(Br)ccc21 ZINC000095467798 568624792 /nfs/dbraw/zinc/62/47/92/568624792.db2.gz FDPNFVAZXKZZJI-GFCCVEGCSA-N 1 1 417.229 3.376 50 0 HGAAMO Cc1[nH+]c2n(c1CCNC(=O)C1CCN(C(=O)/C=C/c3ccccc3)CC1)CCCC2 ZINC000040158052 568626755 /nfs/dbraw/zinc/62/67/55/568626755.db2.gz HOZYQXLEIORNIP-ZHACJKMWSA-N 1 1 420.557 3.139 50 0 HGAAMO C[C@@H](NC(=O)N1CC[NH+](Cc2ccccc2)CC1)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000095477485 568631190 /nfs/dbraw/zinc/63/11/90/568631190.db2.gz AMLHYRIRWRPIKV-QGZVFWFLSA-N 1 1 405.502 3.022 50 0 HGAAMO COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000225500061 568643718 /nfs/dbraw/zinc/64/37/18/568643718.db2.gz IMRPHRBFTKBQKT-PKOBYXMFSA-N 1 1 419.953 3.086 50 0 HGAAMO CCc1ccccc1N1C[C@H](c2nc3ccccc3n2CC[NH+]2CCOCC2)CC1=O ZINC000021171713 568676317 /nfs/dbraw/zinc/67/63/17/568676317.db2.gz CSWPOZVWBHDAKV-HXUWFJFHSA-N 1 1 418.541 3.451 50 0 HGAAMO CC[C@@H]1CN(c2nc(-c3cccnc3)nc3c2CCC3)[C@@H](CC)C[N@H+]1CC(C)(C)O ZINC000225813500 568676765 /nfs/dbraw/zinc/67/67/65/568676765.db2.gz UWQIHHBJNYMFNJ-MOPGFXCFSA-N 1 1 409.578 3.477 50 0 HGAAMO CC[NH+]1CCN(c2nnc(-n3cccc3C(=O)Nc3ccc(Cl)cc3)s2)CC1 ZINC000021535319 568711950 /nfs/dbraw/zinc/71/19/50/568711950.db2.gz VEHIEEYMSGIAJW-UHFFFAOYSA-N 1 1 416.938 3.376 50 0 HGAAMO O=C(c1n[nH]c(=O)c2ccccc21)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000021548728 568714107 /nfs/dbraw/zinc/71/41/07/568714107.db2.gz FNRDYAPVHPWWSZ-UHFFFAOYSA-N 1 1 422.488 3.451 50 0 HGAAMO COc1ccc(-c2noc(NCCC[NH+]3CCN(Cc4ccccc4)CC3)n2)cc1 ZINC000021630441 568725000 /nfs/dbraw/zinc/72/50/00/568725000.db2.gz RVDSGOZONJRGIE-UHFFFAOYSA-N 1 1 407.518 3.365 50 0 HGAAMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1nc2ccc(Br)cn2n1 ZINC000241897199 568731968 /nfs/dbraw/zinc/73/19/68/568731968.db2.gz TWMBTLSHCFKSGI-AWEZNQCLSA-N 1 1 418.295 3.042 50 0 HGAAMO O=C(Cn1cnc2c(c1=O)CC[N@H+](Cc1ccccc1)C2)Nc1ccccc1Cl ZINC000021658470 568734937 /nfs/dbraw/zinc/73/49/37/568734937.db2.gz BQWCYSGEQXLQFV-UHFFFAOYSA-N 1 1 408.889 3.094 50 0 HGAAMO O=C(Cn1cnc2c(c1=O)CC[N@@H+](Cc1ccccc1)C2)Nc1ccccc1Cl ZINC000021658470 568734938 /nfs/dbraw/zinc/73/49/38/568734938.db2.gz BQWCYSGEQXLQFV-UHFFFAOYSA-N 1 1 408.889 3.094 50 0 HGAAMO Cc1ccc(-n2c(CC(=O)NCC[N@@H+]3CCCC[C@@H]3C)c3[nH]cccc-3c2=O)cc1 ZINC000096386976 568743760 /nfs/dbraw/zinc/74/37/60/568743760.db2.gz BPYJVMITHDWYSX-GHTZIAJQSA-N 1 1 406.530 3.472 50 0 HGAAMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Cc2csc(-c3ccccc3Cl)n2)C1 ZINC000028015183 568777497 /nfs/dbraw/zinc/77/74/97/568777497.db2.gz AGMJGNUMKLYFTO-INIZCTEOSA-N 1 1 407.967 3.479 50 0 HGAAMO Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@H+]1[C@]21C(=O)Nc2ccccc21 ZINC000230200168 568854764 /nfs/dbraw/zinc/85/47/64/568854764.db2.gz VOPLWFGSMDFFHN-FAODYONGSA-N 1 1 421.884 3.080 50 0 HGAAMO CCOC(=O)c1sc2ncnc(NCC(C)(C)[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c2c1C ZINC000012598685 568869392 /nfs/dbraw/zinc/86/93/92/568869392.db2.gz JWKGELGXBMFBEC-BETUJISGSA-N 1 1 406.552 3.476 50 0 HGAAMO Cc1cccnc1CN1CCN(C(=O)[C@H]2C[C@@H](c3ccccc3)[N@H+]3CCC[C@H]23)CC1 ZINC000299760042 568873113 /nfs/dbraw/zinc/87/31/13/568873113.db2.gz UHVIMNDYUXEVHH-QTJGBDASSA-N 1 1 404.558 3.260 50 0 HGAAMO CC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]3CCC[N@H+]3[C@@]23c2ccccc2N(C)C3=O)cc1 ZINC000057992326 568873214 /nfs/dbraw/zinc/87/32/14/568873214.db2.gz DRDWZWPEMFPULX-WXVUKLJWSA-N 1 1 403.482 3.184 50 0 HGAAMO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1C)c1ccco1 ZINC000057997195 568873305 /nfs/dbraw/zinc/87/33/05/568873305.db2.gz APABDUIOSONVQI-GOSISDBHSA-N 1 1 419.547 3.076 50 0 HGAAMO CCC(C)(C)C1CCC2(CC1)NC(=O)N(C[C@H](O)C[N@@H+](C)Cc1ccccc1)C2=O ZINC000058167327 568895522 /nfs/dbraw/zinc/89/55/22/568895522.db2.gz BVCLBYHIMDQNRW-ITGJCUMNSA-N 1 1 415.578 3.396 50 0 HGAAMO COc1cc(OC)c(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc1Br ZINC000001321356 568914611 /nfs/dbraw/zinc/91/46/11/568914611.db2.gz KHNQWCJGAIVEJQ-UONOGXRCSA-N 1 1 419.319 3.247 50 0 biogenic HGAAMO COc1cc(OC)c(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc1Br ZINC000001321356 568914612 /nfs/dbraw/zinc/91/46/12/568914612.db2.gz KHNQWCJGAIVEJQ-UONOGXRCSA-N 1 1 419.319 3.247 50 0 biogenic HGAAMO COCC[N@@H+](C)CC[C@H](NC(=O)C(=O)Nc1ccc(Cl)cc1F)c1ccccc1 ZINC000083859401 568921404 /nfs/dbraw/zinc/92/14/04/568921404.db2.gz WTGNMFGTFPEIHA-SFHVURJKSA-N 1 1 421.900 3.243 50 0 HGAAMO COc1ccc(CNC(=O)CCCC(=O)OC[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000004043242 568936062 /nfs/dbraw/zinc/93/60/62/568936062.db2.gz QRWUGCNJJASTRA-PZJWPPBQSA-N 1 1 402.535 3.289 50 0 biogenic HGAAMO C[C@H]1C[C@H](C)C[NH+](Cc2csc(NC(=O)CNC(=O)c3ccccc3F)n2)C1 ZINC000012783522 568959046 /nfs/dbraw/zinc/95/90/46/568959046.db2.gz LAFDFCSACUHLBD-KBPBESRZSA-N 1 1 404.511 3.129 50 0 HGAAMO CC(=O)c1ccc(OC[C@H](O)C[N@@H+](C)CCOc2ccc(Br)cc2)cc1 ZINC000007990812 568967043 /nfs/dbraw/zinc/96/70/43/568967043.db2.gz WLCFCMDYZWIYSC-GOSISDBHSA-N 1 1 422.319 3.402 50 0 HGAAMO O=C(C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)NC(=O)NC1CCCCC1 ZINC000008310456 568988717 /nfs/dbraw/zinc/98/87/17/568988717.db2.gz IGUSXKUKOYDCFT-GOSISDBHSA-N 1 1 401.507 3.143 50 0 HGAAMO O=C(C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)NC(=O)NC1CCCCC1 ZINC000008310456 568988718 /nfs/dbraw/zinc/98/87/18/568988718.db2.gz IGUSXKUKOYDCFT-GOSISDBHSA-N 1 1 401.507 3.143 50 0 HGAAMO C[C@@H](NC(=O)c1ccco1)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020668257 569008101 /nfs/dbraw/zinc/00/81/01/569008101.db2.gz KEMQXXLYVNUAAE-LJQANCHMSA-N 1 1 417.509 3.332 50 0 HGAAMO COc1cccc(C[N@@H+](C[C@@H](O)COC(C)C)C[C@H]2CC(c3ccccc3)=NO2)c1 ZINC000245330408 569009885 /nfs/dbraw/zinc/00/98/85/569009885.db2.gz YFXVDJMYIPCDOF-FYYLOGMGSA-N 1 1 412.530 3.476 50 0 HGAAMO CN1CC[N@@H+](CCCNC(=O)Nc2cccnc2N2CCCC2)[C@@H](c2ccccc2)C1 ZINC000229752883 569040613 /nfs/dbraw/zinc/04/06/13/569040613.db2.gz CWLKTVFRLWZGIY-JOCHJYFZSA-N 1 1 422.577 3.182 50 0 HGAAMO C[N@@H+]1CCN(CCCNC(=O)Nc2cccnc2N2CCCC2)[C@@H](c2ccccc2)C1 ZINC000229752883 569040614 /nfs/dbraw/zinc/04/06/14/569040614.db2.gz CWLKTVFRLWZGIY-JOCHJYFZSA-N 1 1 422.577 3.182 50 0 HGAAMO C[N@H+]1CCN(CCCNC(=O)Nc2cccnc2N2CCCC2)[C@@H](c2ccccc2)C1 ZINC000229752883 569040615 /nfs/dbraw/zinc/04/06/15/569040615.db2.gz CWLKTVFRLWZGIY-JOCHJYFZSA-N 1 1 422.577 3.182 50 0 HGAAMO C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000239402893 569054287 /nfs/dbraw/zinc/05/42/87/569054287.db2.gz RGMFWZJLWGHHAD-QRVBRYPASA-N 1 1 419.591 3.310 50 0 HGAAMO Cc1noc(C)c1CN1CCc2c(C(=O)N3CC[NH+](C(C)C)CC3)csc2C1 ZINC000426535004 569073408 /nfs/dbraw/zinc/07/34/08/569073408.db2.gz BDJUJZIWAYWPFJ-UHFFFAOYSA-N 1 1 402.564 3.077 50 0 HGAAMO CC[NH+]1CCN(C(=O)C[C@@H]2COc3cc(C)ccc3N2Cc2ccc(F)cc2)CC1 ZINC000064663568 569079752 /nfs/dbraw/zinc/07/97/52/569079752.db2.gz DOUPPUMMMOUJOF-OAQYLSRUSA-N 1 1 411.521 3.456 50 0 HGAAMO COc1ccc(C[N@@H+](C[C@H](O)COc2ccccc2)C[C@H]2CCCO2)cc1OC ZINC000036096049 569090096 /nfs/dbraw/zinc/09/00/96/569090096.db2.gz NOVNBTNIEHSDQI-PZJWPPBQSA-N 1 1 401.503 3.125 50 0 HGAAMO COC[C@H](O)C[N@H+](Cc1cccc(OC)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146718 569098782 /nfs/dbraw/zinc/09/87/82/569098782.db2.gz UUDXGXBJKSEZEV-CTNGQTDRSA-N 1 1 418.921 3.351 50 0 HGAAMO CCC[N@@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C[C@H](O)COC(C)(C)C ZINC000036158669 569102354 /nfs/dbraw/zinc/10/23/54/569102354.db2.gz FXAADRSBDNQCAZ-AWEZNQCLSA-N 1 1 407.580 3.251 50 0 HGAAMO CCC[N@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C[C@H](O)COC(C)(C)C ZINC000036158669 569102356 /nfs/dbraw/zinc/10/23/56/569102356.db2.gz FXAADRSBDNQCAZ-AWEZNQCLSA-N 1 1 407.580 3.251 50 0 HGAAMO COC[C@@H](O)C[N@H+](Cc1nc(=O)c2c(-c3cc(C)ccc3C)csc2[nH]1)C(C)C ZINC000036207098 569109633 /nfs/dbraw/zinc/10/96/33/569109633.db2.gz TWVCPAPIROLDAS-INIZCTEOSA-N 1 1 415.559 3.486 50 0 HGAAMO COC[C@@H](O)C[N@@H+](Cc1nc(=O)c2c(-c3cc(C)ccc3C)csc2[nH]1)C(C)C ZINC000036207098 569109634 /nfs/dbraw/zinc/10/96/34/569109634.db2.gz TWVCPAPIROLDAS-INIZCTEOSA-N 1 1 415.559 3.486 50 0 HGAAMO CCN(CC)C(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)c2cc(F)cc(F)c2)CC1 ZINC000036250179 569119188 /nfs/dbraw/zinc/11/91/88/569119188.db2.gz LSMYWGIKKJUKSM-HXUWFJFHSA-N 1 1 407.505 3.150 50 0 HGAAMO Cc1ccc(C(=O)NCCC[N@H+](C)Cc2ccccc2)cc1-n1nnc2cccnc21 ZINC000064925624 569122825 /nfs/dbraw/zinc/12/28/25/569122825.db2.gz ATVMITLQOQANNG-UHFFFAOYSA-N 1 1 414.513 3.376 50 0 HGAAMO Cc1nn(-c2ccc(C)cc2)c(C)c1S(=O)(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000064947016 569129234 /nfs/dbraw/zinc/12/92/34/569129234.db2.gz YEONVTRHQXZUEY-UHFFFAOYSA-N 1 1 416.591 3.437 50 0 HGAAMO Cc1c(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)sc2nc3n(c(=O)c12)CCCC3 ZINC000006841219 569151889 /nfs/dbraw/zinc/15/18/89/569151889.db2.gz WYLZUJWSIQMIJV-CQSZACIVSA-N 1 1 402.564 3.097 50 0 HGAAMO Cc1ccc2ncc(C(=O)NCc3ccccc3C[N@@H+]3CCCC[C@H]3C)c(=O)n2c1 ZINC000036394104 569168082 /nfs/dbraw/zinc/16/80/82/569168082.db2.gz MNJGNKMXCLGFMG-GOSISDBHSA-N 1 1 404.514 3.307 50 0 HGAAMO COc1ccccc1C(=O)N1CCN(c2nc(C[NH+]3CCC(C)CC3)cs2)CC1 ZINC000065200597 569193779 /nfs/dbraw/zinc/19/37/79/569193779.db2.gz MTBPGNBPNGXKAP-UHFFFAOYSA-N 1 1 414.575 3.346 50 0 HGAAMO CCCN1c2ccc(C(=O)N3CC[NH+](CC)CC3)cc2Sc2ncccc2C1=O ZINC000065241384 569204062 /nfs/dbraw/zinc/20/40/62/569204062.db2.gz LECYBSQRXBTJDV-UHFFFAOYSA-N 1 1 410.543 3.381 50 0 HGAAMO Cc1onc(-c2ccccc2Cl)c1C(=O)NCCNc1cc(N(C)C)[nH+]c(C)n1 ZINC000036708046 569222016 /nfs/dbraw/zinc/22/20/16/569222016.db2.gz DIBSCELXHFIIJO-UHFFFAOYSA-N 1 1 414.897 3.310 50 0 HGAAMO CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000065585907 569236472 /nfs/dbraw/zinc/23/64/72/569236472.db2.gz IKPGIWCZSXJBSX-ISKFKSNPSA-N 1 1 407.558 3.220 50 0 HGAAMO CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000089791050 569266207 /nfs/dbraw/zinc/26/62/07/569266207.db2.gz IXXGBLUGLVDKAX-YADHBBJMSA-N 1 1 411.521 3.361 50 0 HGAAMO Cc1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCO[C@@H](c3ccccc3)C2)cc1Cl ZINC000017120508 569275000 /nfs/dbraw/zinc/27/50/00/569275000.db2.gz SCQLSVAJRYDKOH-HXUWFJFHSA-N 1 1 415.921 3.167 50 0 HGAAMO Cc1ccc(NC(=O)C(=O)NCCC[N@H+]2CCO[C@@H](c3ccccc3)C2)cc1Cl ZINC000017120508 569275001 /nfs/dbraw/zinc/27/50/01/569275001.db2.gz SCQLSVAJRYDKOH-HXUWFJFHSA-N 1 1 415.921 3.167 50 0 HGAAMO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000252444094 569285900 /nfs/dbraw/zinc/28/59/00/569285900.db2.gz LXQILKMADAEJFZ-QAPCUYQASA-N 1 1 401.507 3.142 50 0 HGAAMO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000252444094 569285901 /nfs/dbraw/zinc/28/59/01/569285901.db2.gz LXQILKMADAEJFZ-QAPCUYQASA-N 1 1 401.507 3.142 50 0 HGAAMO FC(F)(F)c1cccc(N2CCN(C3CC[NH+](Cc4ccncc4)CC3)CC2)n1 ZINC000252505746 569291195 /nfs/dbraw/zinc/29/11/95/569291195.db2.gz VTJVDWHNPFGUPI-UHFFFAOYSA-N 1 1 405.468 3.282 50 0 HGAAMO C[N@@H+]1CC[C@@H](NC(=O)C2CCN(CC(F)(F)F)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000252517603 569292292 /nfs/dbraw/zinc/29/22/92/569292292.db2.gz MLCKUKIHEVTQGA-IAGOWNOFSA-N 1 1 403.876 3.476 50 0 HGAAMO C[N@H+]1CC[C@@H](NC(=O)C2CCN(CC(F)(F)F)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000252517603 569292293 /nfs/dbraw/zinc/29/22/93/569292293.db2.gz MLCKUKIHEVTQGA-IAGOWNOFSA-N 1 1 403.876 3.476 50 0 HGAAMO CCOC(=O)c1c(NC(=O)Cc2ccc(OC)cc2)sc2c1CC[N@H+](CC)C2 ZINC000007614060 569295663 /nfs/dbraw/zinc/29/56/63/569295663.db2.gz KFTGDOURFDYCQI-UHFFFAOYSA-N 1 1 402.516 3.493 50 0 HGAAMO CCOC(=O)c1c(NC(=O)Cc2ccc(OC)cc2)sc2c1CC[N@@H+](CC)C2 ZINC000007614060 569295665 /nfs/dbraw/zinc/29/56/65/569295665.db2.gz KFTGDOURFDYCQI-UHFFFAOYSA-N 1 1 402.516 3.493 50 0 HGAAMO Cn1cccc1[C@H]1CCC[N@@H+]1CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000007854848 569314724 /nfs/dbraw/zinc/31/47/24/569314724.db2.gz GKDDWKHOCGDESI-GOSISDBHSA-N 1 1 418.423 3.400 50 0 HGAAMO Cn1cccc1[C@H]1CCC[N@H+]1CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000007854848 569314726 /nfs/dbraw/zinc/31/47/26/569314726.db2.gz GKDDWKHOCGDESI-GOSISDBHSA-N 1 1 418.423 3.400 50 0 HGAAMO COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000002259952 569325048 /nfs/dbraw/zinc/32/50/48/569325048.db2.gz FJARGXHWAJTUOG-AWEZNQCLSA-N 1 1 407.470 3.348 50 0 HGAAMO COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000002259952 569325050 /nfs/dbraw/zinc/32/50/50/569325050.db2.gz FJARGXHWAJTUOG-AWEZNQCLSA-N 1 1 407.470 3.348 50 0 HGAAMO CC[N@H+]1CCCC[C@@H]1CNC(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000253424170 569368101 /nfs/dbraw/zinc/36/81/01/569368101.db2.gz BJPFRDAMCPEPAV-OAHLLOKOSA-N 1 1 422.327 3.173 50 0 HGAAMO Cc1[nH+]ccn1CC(=O)N1CCC(c2noc(-c3cc(-c4cccs4)[nH]n3)n2)CC1 ZINC000253473238 569381571 /nfs/dbraw/zinc/38/15/71/569381571.db2.gz SYZQMBIHFXYQBD-UHFFFAOYSA-N 1 1 423.502 3.099 50 0 HGAAMO CC1(C)CC2(CCO1)N1CC3(c4ccccc4)C[NH+]2CC(c2ccccc2)(C1)C3O ZINC000019331556 569419894 /nfs/dbraw/zinc/41/98/94/569419894.db2.gz HWFRSDMYEVVOHZ-UHFFFAOYSA-N 1 1 404.554 3.153 50 0 biogenic HGAAMO O=C(C[N@H+](Cc1cccc(OCC(F)(F)F)c1)C[C@@H]1CCCO1)N1CCCC1 ZINC000078947838 569421961 /nfs/dbraw/zinc/42/19/61/569421961.db2.gz USHULLUKQOCIKX-SFHVURJKSA-N 1 1 400.441 3.231 50 0 HGAAMO O=C(C[N@@H+](Cc1cccc(OCC(F)(F)F)c1)C[C@@H]1CCCO1)N1CCCC1 ZINC000078947838 569421963 /nfs/dbraw/zinc/42/19/63/569421963.db2.gz USHULLUKQOCIKX-SFHVURJKSA-N 1 1 400.441 3.231 50 0 HGAAMO COc1ccc2oc(C)c(C(=O)NCC[NH+]3CCN(c4ccc(F)cc4)CC3)c2c1 ZINC000078960966 569422231 /nfs/dbraw/zinc/42/22/31/569422231.db2.gz MNDNNOJSLGTWNA-UHFFFAOYSA-N 1 1 411.477 3.441 50 0 HGAAMO O=C(Nc1cccc(OC(F)F)c1)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000078975212 569422801 /nfs/dbraw/zinc/42/28/01/569422801.db2.gz SJZWHCIWHXUESG-QFBILLFUSA-N 1 1 405.445 3.293 50 0 HGAAMO CCC[N@H+]1CCc2nc(SCC(=O)Nc3ccc(F)cc3Cl)[nH]c(=O)c2C1 ZINC000067291904 571068250 /nfs/dbraw/zinc/06/82/50/571068250.db2.gz CIEFVDNCKSODGF-UHFFFAOYSA-N 1 1 410.902 3.474 50 0 HGAAMO C[N@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccccc1N1CCCC1 ZINC000008710735 571105120 /nfs/dbraw/zinc/10/51/20/571105120.db2.gz PFQJXSFJVYQWON-UHFFFAOYSA-N 1 1 408.546 3.194 50 0 HGAAMO C[N@@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccccc1N1CCCC1 ZINC000008710735 571105123 /nfs/dbraw/zinc/10/51/23/571105123.db2.gz PFQJXSFJVYQWON-UHFFFAOYSA-N 1 1 408.546 3.194 50 0 HGAAMO C[C@@H]1C[C@H](C)C[N@@H+](Cc2csc(NC(=O)C3CCN(C(=O)C4CC4)CC3)n2)C1 ZINC000040037701 571141638 /nfs/dbraw/zinc/14/16/38/571141638.db2.gz YMRQDVDTDGEMJU-GASCZTMLSA-N 1 1 404.580 3.208 50 0 HGAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2csc(NC(=O)C3CCN(C(=O)C4CC4)CC3)n2)C1 ZINC000040037701 571141641 /nfs/dbraw/zinc/14/16/41/571141641.db2.gz YMRQDVDTDGEMJU-GASCZTMLSA-N 1 1 404.580 3.208 50 0 HGAAMO FC(F)Sc1ccc(NC(=S)NC[C@@H]([C@@H]2CCOC2)[NH+]2CCOCC2)cc1 ZINC000040050377 571144054 /nfs/dbraw/zinc/14/40/54/571144054.db2.gz GYHBUUZKNHNCTJ-CJNGLKHVSA-N 1 1 417.547 3.025 50 0 HGAAMO COc1ccc([C@@H]2CCCCC[N@H+]2C[C@H](O)CN2C(=O)c3ccccc3C2=O)cc1 ZINC000040051358 571145342 /nfs/dbraw/zinc/14/53/42/571145342.db2.gz DHLQMQQQQLGETD-AVRDEDQJSA-N 1 1 408.498 3.269 50 0 HGAAMO CN1CC[NH+](Cc2ccccc2CNC(=O)c2cc(Br)ccc2F)CC1 ZINC000040089782 571159799 /nfs/dbraw/zinc/15/97/99/571159799.db2.gz KAORVXYWGABRTN-UHFFFAOYSA-N 1 1 420.326 3.266 50 0 HGAAMO CC(C)[C@H](CNC(=O)Cc1cc2ccccc2[nH]c1=O)[N@H+]1CCc2ccccc2C1 ZINC000040108714 571168159 /nfs/dbraw/zinc/16/81/59/571168159.db2.gz WEJQGGKTVFFGTQ-QHCPKHFHSA-N 1 1 403.526 3.270 50 0 HGAAMO Cc1nc2cc(F)ccc2cc1C(=O)NCc1ccc(N2CCC[N@H+](C)CC2)nc1 ZINC000040152046 571199811 /nfs/dbraw/zinc/19/98/11/571199811.db2.gz GFYRCJLBHIYMBB-UHFFFAOYSA-N 1 1 407.493 3.149 50 0 HGAAMO CCC[N@@H+]1CCc2c(sc(NC(=O)c3ccc4c(c3)OCO4)c2C(=O)OC)C1 ZINC000009174684 571234262 /nfs/dbraw/zinc/23/42/62/571234262.db2.gz LQLWMXVQNPCPNM-UHFFFAOYSA-N 1 1 402.472 3.284 50 0 HGAAMO CCC[N@H+]1CCc2c(sc(NC(=O)c3ccc4c(c3)OCO4)c2C(=O)OC)C1 ZINC000009174684 571234264 /nfs/dbraw/zinc/23/42/64/571234264.db2.gz LQLWMXVQNPCPNM-UHFFFAOYSA-N 1 1 402.472 3.284 50 0 HGAAMO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@@H+]2[C@@]32C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000009282115 571244714 /nfs/dbraw/zinc/24/47/14/571244714.db2.gz ZUBDDXQNELUVSP-QPXQOZNCSA-N 1 1 421.884 3.080 50 0 HGAAMO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@H+]2[C@@]32C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000009282115 571244715 /nfs/dbraw/zinc/24/47/15/571244715.db2.gz ZUBDDXQNELUVSP-QPXQOZNCSA-N 1 1 421.884 3.080 50 0 HGAAMO C[N@@H+](CCNC(=O)c1ccc(NC(=O)C2=CSCCO2)cc1)Cc1ccccc1 ZINC000009738081 571283162 /nfs/dbraw/zinc/28/31/62/571283162.db2.gz MWPMAMUZNKMJMJ-UHFFFAOYSA-N 1 1 411.527 3.092 50 0 HGAAMO CCOC(=O)CN(C(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000010053944 571294629 /nfs/dbraw/zinc/29/46/29/571294629.db2.gz XDTFZOSJVYFGDK-FQEVSTJZSA-N 1 1 424.497 3.191 50 0 HGAAMO CCOC(=O)CN(C(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000010053944 571294631 /nfs/dbraw/zinc/29/46/31/571294631.db2.gz XDTFZOSJVYFGDK-FQEVSTJZSA-N 1 1 424.497 3.191 50 0 HGAAMO COc1ccccc1Oc1nc(N2CCN(C)CC2)nc2c1C[N@@H+](CC(C)C)CC2 ZINC000034755621 571316550 /nfs/dbraw/zinc/31/65/50/571316550.db2.gz MCOREGYTAWPSRY-UHFFFAOYSA-N 1 1 411.550 3.043 50 0 HGAAMO FC(F)(F)c1ccc(N2CC[NH+](C[C@H]3CN(Cc4ccccc4)CCO3)CC2)nc1 ZINC000004324557 132275457 /nfs/dbraw/zinc/27/54/57/132275457.db2.gz NXPVHLBNNYVZNP-FQEVSTJZSA-N 1 1 420.479 3.123 50 0 HGAAMO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC(=O)N2CCN(c3cccc(C)c3)CC2)c1 ZINC000010055980 132344866 /nfs/dbraw/zinc/34/48/66/132344866.db2.gz ISNTYDQFILSAGH-QHCPKHFHSA-N 1 1 423.557 3.498 50 0 HGAAMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC(=O)N2CCN(c3cccc(C)c3)CC2)c1 ZINC000010055980 132344867 /nfs/dbraw/zinc/34/48/67/132344867.db2.gz ISNTYDQFILSAGH-QHCPKHFHSA-N 1 1 423.557 3.498 50 0 HGAAMO CC(C)(C)c1cc(N2CC[NH+](CCO)CC2)n2ncc(-c3ccccc3Cl)c2n1 ZINC000020567328 519001835 /nfs/dbraw/zinc/00/18/35/519001835.db2.gz UWDYXSODJJDRPG-UHFFFAOYSA-N 1 1 413.953 3.462 50 0 HGAAMO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1ccco1 ZINC000044514947 522021172 /nfs/dbraw/zinc/02/11/72/522021172.db2.gz HIYYAWKLQNEKLU-CJNGLKHVSA-N 1 1 409.408 3.070 50 0 HGAAMO C[N@H+]1CCCN(C(=O)c2csc(NC(=O)c3ccc(Cl)c(Cl)c3)n2)CC1 ZINC000040355527 523807428 /nfs/dbraw/zinc/80/74/28/523807428.db2.gz YRWDKENDGDTVLI-UHFFFAOYSA-N 1 1 413.330 3.480 50 0 HGAAMO Cc1cc(C(=O)NCc2nnc3n2CC[N@H+](Cc2cc(C)cc(C)c2)CC3)c(C)o1 ZINC000020599568 524112986 /nfs/dbraw/zinc/11/29/86/524112986.db2.gz ZPCRCIGUUXKJEA-UHFFFAOYSA-N 1 1 407.518 3.093 50 0 HGAAMO COc1ccc2c(CN3CC[NH+](Cc4ccc5c(c4)CCO5)CC3)cc(=O)oc2c1 ZINC000022805885 525502313 /nfs/dbraw/zinc/50/23/13/525502313.db2.gz HTOGDPLMSMCVJO-UHFFFAOYSA-N 1 1 406.482 3.054 50 0 HGAAMO COc1ccc2c(c1)C=C(CN1CC[N@@H+](CC3CCCCC3)[C@@H](CCO)C1)CO2 ZINC000020256634 525511621 /nfs/dbraw/zinc/51/16/21/525511621.db2.gz IIMSVDZEPGIUPE-QFIPXVFZSA-N 1 1 400.563 3.420 50 0 HGAAMO Cc1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c(Br)c1 ZINC000045809534 525573945 /nfs/dbraw/zinc/57/39/45/525573945.db2.gz YOSNYRLKJLHUIQ-AWEZNQCLSA-N 1 1 403.367 3.400 50 0 HGAAMO CCCNC(=O)c1ccc(CSc2nc(Cl)cc(N3CC[NH+](C)CC3)n2)cc1 ZINC000004355822 535126372 /nfs/dbraw/zinc/12/63/72/535126372.db2.gz UKOPMNMERNNYNS-UHFFFAOYSA-N 1 1 419.982 3.314 50 0 HGAAMO Cc1cccc(-n2nc(C(=O)N(C)[C@@H]3CC[N@@H+](C)C3)nc2CCc2ccccc2)c1 ZINC000034911809 557476630 /nfs/dbraw/zinc/47/66/30/557476630.db2.gz SMYYSHGBSFZZAE-OAQYLSRUSA-N 1 1 403.530 3.137 50 0 HGAAMO CCn1c(C)cc(O)c([C@@H](c2ccncc2)[NH+]2CCN(c3ccc(F)cc3)CC2)c1=O ZINC000022697523 557784265 /nfs/dbraw/zinc/78/42/65/557784265.db2.gz AOMNRYCKUKOPOB-HSZRJFAPSA-N 1 1 422.504 3.328 50 0 HGAAMO C[C@@H](NC(=S)NCCc1ccccc1)[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000022803252 557824699 /nfs/dbraw/zinc/82/46/99/557824699.db2.gz SOIWUPYQCIVMPD-YLJYHZDGSA-N 1 1 402.633 3.132 50 0 HGAAMO C[C@@H](NC(=S)NCCc1ccccc1)[C@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000022803252 557824701 /nfs/dbraw/zinc/82/47/01/557824701.db2.gz SOIWUPYQCIVMPD-YLJYHZDGSA-N 1 1 402.633 3.132 50 0 HGAAMO CCCCn1c(CN(C)C[C@H]2CCC[N@H+]2C)cnc1S(=O)(=O)CCCC(C)C ZINC000019770704 558279372 /nfs/dbraw/zinc/27/93/72/558279372.db2.gz VSWCEVUSQCXKGY-LJQANCHMSA-N 1 1 412.644 3.419 50 0 HGAAMO O=C(NCc1cccnc1)C1CC[NH+](C2CCN(C3Cc4ccccc4C3)CC2)CC1 ZINC000011817138 558280313 /nfs/dbraw/zinc/28/03/13/558280313.db2.gz BMNTYELERDRIFP-UHFFFAOYSA-N 1 1 418.585 3.042 50 0 HGAAMO O=C(NCc1cccnc1)C1CCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)CC1 ZINC000011817138 558280316 /nfs/dbraw/zinc/28/03/16/558280316.db2.gz BMNTYELERDRIFP-UHFFFAOYSA-N 1 1 418.585 3.042 50 0 HGAAMO O=C1C[C@@H]([NH+]2CCC(c3nc4ccccc4o3)CC2)C(=O)N1c1ccc2c(c1)OCO2 ZINC000019877413 558300196 /nfs/dbraw/zinc/30/01/96/558300196.db2.gz HTSDPHWVIHALKR-QGZVFWFLSA-N 1 1 419.437 3.068 50 0 HGAAMO Cc1ccccc1Nc1nc(N)nc(CN2CC[NH+](C/C=C/c3ccccc3)CC2)n1 ZINC000019899251 558304607 /nfs/dbraw/zinc/30/46/07/558304607.db2.gz OUNDWOABGLRZBE-YRNVUSSQSA-N 1 1 415.545 3.337 50 0 HGAAMO Nc1nc(CN2CC[NH+](Cc3ccccc3)CC2)nc(Nc2ccc(Cl)cc2)n1 ZINC000019944432 558314526 /nfs/dbraw/zinc/31/45/26/558314526.db2.gz HLVRISRDJZRVIJ-UHFFFAOYSA-N 1 1 409.925 3.169 50 0 HGAAMO O=C(C[C@H](c1ccccc1)c1cc(Cl)ccc1O)NCCC[NH+]1CCOCC1 ZINC000020001425 558317908 /nfs/dbraw/zinc/31/79/08/558317908.db2.gz RAJZCWMYQBWRSA-LJQANCHMSA-N 1 1 402.922 3.406 50 0 HGAAMO CCCCc1nc2sc3c(ncnc3N3CC[NH+](CCO)CC3)c2c2c1CCC2 ZINC000020392035 558359002 /nfs/dbraw/zinc/35/90/02/558359002.db2.gz XIAKGSLQAPIKIT-UHFFFAOYSA-N 1 1 411.575 3.185 50 0 HGAAMO CC(C)C[C@H](NC(=O)c1cccnc1)c1nnc2n1CC[N@H+](Cc1ccsc1)CC2 ZINC000012278815 558364669 /nfs/dbraw/zinc/36/46/69/558364669.db2.gz RSORIAPCDYRQLJ-IBGZPJMESA-N 1 1 424.574 3.310 50 0 HGAAMO CC(C)CCn1cnc2sc3c(c2c1=O)CC[C@@H]([N@@H+](C)CCc1cnn(C)c1)C3 ZINC000012282203 558365316 /nfs/dbraw/zinc/36/53/16/558365316.db2.gz GGEOKEFSTSQWNR-QGZVFWFLSA-N 1 1 413.591 3.269 50 0 HGAAMO O=C(NCc1ccccn1)[C@@H]1CCC[N@H+](C2CCN(C/C=C/c3ccco3)CC2)C1 ZINC000012432780 558407077 /nfs/dbraw/zinc/40/70/77/558407077.db2.gz JBSGARXCPPRYIW-BTZGUFSASA-N 1 1 408.546 3.181 50 0 HGAAMO CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCCN(C(=O)CCn2cc[nH+]c2C)C1 ZINC000012434007 558407780 /nfs/dbraw/zinc/40/77/80/558407780.db2.gz VPMSJCFIOZATBY-QHCPKHFHSA-N 1 1 413.518 3.005 50 0 HGAAMO CCCCc1nc(C[N@@H+]2CCC[C@@H](CNC(=O)COc3ccccc3OC)C2)c[nH]1 ZINC000012447555 558414880 /nfs/dbraw/zinc/41/48/80/558414880.db2.gz ZLQQBEVLPWPDDU-SFHVURJKSA-N 1 1 414.550 3.168 50 0 HGAAMO CCCCc1nc(C[N@H+]2CCC[C@@H](CNC(=O)COc3ccccc3OC)C2)c[nH]1 ZINC000012447555 558414882 /nfs/dbraw/zinc/41/48/82/558414882.db2.gz ZLQQBEVLPWPDDU-SFHVURJKSA-N 1 1 414.550 3.168 50 0 HGAAMO O=C(c1n[nH]c(=O)c2ccccc21)N1CC[C@@]2(C1)CCC[N@@H+](CC1CCCCC1)C2 ZINC000012455442 558417134 /nfs/dbraw/zinc/41/71/34/558417134.db2.gz QFDXMROOQPLSTL-DEOSSOPVSA-N 1 1 408.546 3.432 50 0 HGAAMO COc1cccc(C[N@H+]2CCC[C@@]3(CCN(C(=O)c4cscn4)C3)C2)c1OC ZINC000012459181 558418827 /nfs/dbraw/zinc/41/88/27/558418827.db2.gz WERVGHFRZOCHGG-OAQYLSRUSA-N 1 1 401.532 3.289 50 0 HGAAMO c1cc(C[N@@H+]2CCC[C@H](N3CCN(c4ccccc4)CC3)C2)n(-c2ncccn2)c1 ZINC000020911348 558422048 /nfs/dbraw/zinc/42/20/48/558422048.db2.gz JZJOOTSJQWXPTR-QFIPXVFZSA-N 1 1 402.546 3.054 50 0 HGAAMO c1cc(C[N@H+]2CCC[C@H](N3CCN(c4ccccc4)CC3)C2)n(-c2ncccn2)c1 ZINC000020911348 558422053 /nfs/dbraw/zinc/42/20/53/558422053.db2.gz JZJOOTSJQWXPTR-QFIPXVFZSA-N 1 1 402.546 3.054 50 0 HGAAMO COc1ccccc1CCN1CCC[C@H](C[N@H+](C)Cc2ccc(OCCO)cc2)C1 ZINC000012507416 558424052 /nfs/dbraw/zinc/42/40/52/558424052.db2.gz JNHNCCGROFQABS-JOCHJYFZSA-N 1 1 412.574 3.453 50 0 HGAAMO COc1ccccc1CCN1CCC[C@H](C[N@@H+](C)Cc2ccc(OCCO)cc2)C1 ZINC000012507416 558424055 /nfs/dbraw/zinc/42/40/55/558424055.db2.gz JNHNCCGROFQABS-JOCHJYFZSA-N 1 1 412.574 3.453 50 0 HGAAMO COc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)Cc2ccc(OCCO)cc2)C1 ZINC000012507416 558424057 /nfs/dbraw/zinc/42/40/57/558424057.db2.gz JNHNCCGROFQABS-JOCHJYFZSA-N 1 1 412.574 3.453 50 0 HGAAMO COc1ccccc1CC[N@H+]1CCC[C@H](CN(C)Cc2ccc(OCCO)cc2)C1 ZINC000012507416 558424060 /nfs/dbraw/zinc/42/40/60/558424060.db2.gz JNHNCCGROFQABS-JOCHJYFZSA-N 1 1 412.574 3.453 50 0 HGAAMO CC(=O)c1ccc(OCC(=O)N(C)[C@@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)cc1 ZINC000012587283 558434312 /nfs/dbraw/zinc/43/43/12/558434312.db2.gz MQEGRJPBVVGYOE-JOCHJYFZSA-N 1 1 406.526 3.358 50 0 HGAAMO CCN(C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1)C(=O)c1snnc1C ZINC000012593894 558436828 /nfs/dbraw/zinc/43/68/28/558436828.db2.gz FMPFSGXFGITNEB-GOSISDBHSA-N 1 1 402.564 3.272 50 0 HGAAMO O=C(c1ccc(-n2cnc3ccccc3c2=O)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000021706773 558446218 /nfs/dbraw/zinc/44/62/18/558446218.db2.gz KYALXGHVRLBZNP-UHFFFAOYSA-N 1 1 424.504 3.344 50 0 HGAAMO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@@H+]2CCNC(=O)CC2)cc1F ZINC000012748843 558458862 /nfs/dbraw/zinc/45/88/62/558458862.db2.gz GZFMOWWKXOFRER-UHFFFAOYSA-N 1 1 408.477 3.317 50 0 HGAAMO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@H+]2CCNC(=O)CC2)cc1F ZINC000012748843 558458864 /nfs/dbraw/zinc/45/88/64/558458864.db2.gz GZFMOWWKXOFRER-UHFFFAOYSA-N 1 1 408.477 3.317 50 0 HGAAMO O=C(CN1CC[NH+](Cc2cccs2)CC1)NCc1ccccc1OC(F)(F)F ZINC000022849050 558516490 /nfs/dbraw/zinc/51/64/90/558516490.db2.gz PEGXGDIWGOZEOO-UHFFFAOYSA-N 1 1 413.465 3.081 50 0 HGAAMO Cc1ccc([C@H](CNC(=O)c2cc(=O)c3cc(C)cc(C)c3o2)N2CC[NH+](C)CC2)o1 ZINC000022938448 558527480 /nfs/dbraw/zinc/52/74/80/558527480.db2.gz WFENAPWDOVMPKA-IBGZPJMESA-N 1 1 423.513 3.030 50 0 HGAAMO CCc1ccc(C[N@H+]2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)o1 ZINC000023375004 558554416 /nfs/dbraw/zinc/55/44/16/558554416.db2.gz CABYTVMWCWYOSE-HXUWFJFHSA-N 1 1 411.546 3.353 50 0 HGAAMO CCc1ccc(CN2CCC[C@@H]([NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)o1 ZINC000023375004 558554419 /nfs/dbraw/zinc/55/44/19/558554419.db2.gz CABYTVMWCWYOSE-HXUWFJFHSA-N 1 1 411.546 3.353 50 0 HGAAMO Cc1sc2nc(-c3cccs3)nc(N(C)CC(=O)N3CC[NH+](C)CC3)c2c1C ZINC000023956208 558582400 /nfs/dbraw/zinc/58/24/00/558582400.db2.gz KPNPEMVARYZQJJ-UHFFFAOYSA-N 1 1 415.588 3.247 50 0 HGAAMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)NCc2ccc(OC(F)(F)F)cc2)C[C@H](C)O1 ZINC000024970824 558623144 /nfs/dbraw/zinc/62/31/44/558623144.db2.gz KBUWGHGYYRLVIY-OKILXGFUSA-N 1 1 403.445 3.272 50 0 HGAAMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)NCc2ccc(OC(F)(F)F)cc2)C[C@H](C)O1 ZINC000024970824 558623145 /nfs/dbraw/zinc/62/31/45/558623145.db2.gz KBUWGHGYYRLVIY-OKILXGFUSA-N 1 1 403.445 3.272 50 0 HGAAMO O=C1CC[C@@H]([N@H+]2CC[C@@H]3CCCC[C@H]3C2)CCN1CCS(=O)(=O)c1ccccc1 ZINC000014880698 558675988 /nfs/dbraw/zinc/67/59/88/558675988.db2.gz APIRVROOOUCCJO-PCCBWWKXSA-N 1 1 418.603 3.354 50 0 HGAAMO O=C(CCN1CCCCCC1=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccc(F)cc1)C2 ZINC000014947907 558680084 /nfs/dbraw/zinc/68/00/84/558680084.db2.gz RYEFXUWACAHGQY-XMMPIXPASA-N 1 1 415.553 3.433 50 0 HGAAMO CN(Cc1ccc2nonc2c1)Cc1ccccc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000014958579 558683158 /nfs/dbraw/zinc/68/31/58/558683158.db2.gz YBYSRDDDEJNUGY-HXUWFJFHSA-N 1 1 410.518 3.080 50 0 HGAAMO COc1ccccc1CN1C[C@@H]2C[C@@H](c3ccc4nonc4c3)[N@H+]3CCC[C@@]23C1=O ZINC000014965643 558685708 /nfs/dbraw/zinc/68/57/08/558685708.db2.gz DBRJCNRHVUNZTA-NYDSKATKSA-N 1 1 404.470 3.169 50 0 HGAAMO C[C@@H](NC(=O)CCc1ccccc1)c1nnc2n1CC[N@H+](Cc1cccc(F)c1)CC2 ZINC000014993596 558695240 /nfs/dbraw/zinc/69/52/40/558695240.db2.gz XRWGNKRKECJCRD-GOSISDBHSA-N 1 1 421.520 3.286 50 0 HGAAMO CCOC(=O)[C@@H](c1ccc(Cl)cc1)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000028693624 558703686 /nfs/dbraw/zinc/70/36/86/558703686.db2.gz HSGTZIBYSYCMMA-NHCUHLMSSA-N 1 1 402.922 3.295 50 0 HGAAMO O=C(c1cc[n+]([O-])cc1)N(Cc1cccnc1)C[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000015073262 558714152 /nfs/dbraw/zinc/71/41/52/558714152.db2.gz OAVRBYLSNJTOEZ-NRFANRHFSA-N 1 1 408.546 3.402 50 0 HGAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000029838255 558722021 /nfs/dbraw/zinc/72/20/21/558722021.db2.gz MRHBRWOVQMYAAB-LJQANCHMSA-N 1 1 411.933 3.258 50 0 HGAAMO Cc1ccccc1C(=O)N1CCC(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000030029474 558726461 /nfs/dbraw/zinc/72/64/61/558726461.db2.gz VRDVPNZMNPXSPW-HSZRJFAPSA-N 1 1 405.542 3.363 50 0 HGAAMO Cc1ccccc1C(=O)N1CCC(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000030029474 558726464 /nfs/dbraw/zinc/72/64/64/558726464.db2.gz VRDVPNZMNPXSPW-HSZRJFAPSA-N 1 1 405.542 3.363 50 0 HGAAMO C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000030029708 558726470 /nfs/dbraw/zinc/72/64/70/558726470.db2.gz POGNYJALLLGSEA-AVCOGWMQSA-N 1 1 409.574 3.223 50 0 HGAAMO C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000030029708 558726473 /nfs/dbraw/zinc/72/64/73/558726473.db2.gz POGNYJALLLGSEA-AVCOGWMQSA-N 1 1 409.574 3.223 50 0 HGAAMO C[N@@H+]1CCN(C(=O)COc2ccc(F)cc2Br)[C@@H](c2ccccc2)C1 ZINC000030029380 558726509 /nfs/dbraw/zinc/72/65/09/558726509.db2.gz PSUNUYPOIOGHQJ-QGZVFWFLSA-N 1 1 407.283 3.482 50 0 HGAAMO C[N@H+]1CCN(C(=O)COc2ccc(F)cc2Br)[C@@H](c2ccccc2)C1 ZINC000030029380 558726511 /nfs/dbraw/zinc/72/65/11/558726511.db2.gz PSUNUYPOIOGHQJ-QGZVFWFLSA-N 1 1 407.283 3.482 50 0 HGAAMO CCOc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(C(=O)Nc4ccccc4)CC3)C2=O)cc1 ZINC000015470171 558740710 /nfs/dbraw/zinc/74/07/10/558740710.db2.gz PHFLYYXQQTWHEF-OAQYLSRUSA-N 1 1 421.497 3.068 50 0 HGAAMO COc1cccc2c1OCC(CN1CC[N@H+](Cc3ccsc3)[C@H](CCO)C1)=C2 ZINC000039445859 558821361 /nfs/dbraw/zinc/82/13/61/558821361.db2.gz KBZOBWVKCUSVEX-HXUWFJFHSA-N 1 1 400.544 3.101 50 0 HGAAMO COc1cccc2c1OCC(CN1CC[N@@H+](Cc3ccsc3)[C@H](CCO)C1)=C2 ZINC000039445859 558821362 /nfs/dbraw/zinc/82/13/62/558821362.db2.gz KBZOBWVKCUSVEX-HXUWFJFHSA-N 1 1 400.544 3.101 50 0 HGAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(NC(=O)c2nnc(C)s2)cc1 ZINC000033011036 558830413 /nfs/dbraw/zinc/83/04/13/558830413.db2.gz CWOUGMLLEKDPQI-SFHVURJKSA-N 1 1 415.563 3.483 50 0 HGAAMO O=S(=O)(Cc1ccccc1)NC[C@H]1CCC[N@@H+](Cc2cccn2-c2cccnc2)C1 ZINC000019147099 558846849 /nfs/dbraw/zinc/84/68/49/558846849.db2.gz ZADSHUVCSUUFDS-OAQYLSRUSA-N 1 1 424.570 3.204 50 0 HGAAMO COc1cc(OC)c(OC)cc1CN1CC[N@@H+](CC2CCCCC2)[C@@H](CCO)C1 ZINC000019226667 558852844 /nfs/dbraw/zinc/85/28/44/558852844.db2.gz HEHRYADQWKJZGA-FQEVSTJZSA-N 1 1 406.567 3.161 50 0 HGAAMO C[C@@H]1c2cccn2CCN1C(=O)c1coc(CN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000067982683 558862509 /nfs/dbraw/zinc/86/25/09/558862509.db2.gz GVOUSXXJSZLKMR-LJQANCHMSA-N 1 1 419.529 3.011 50 0 HGAAMO Cn1cc(C[N@@H+](C)Cc2ccc3nsnc3c2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000055099273 558872234 /nfs/dbraw/zinc/87/22/34/558872234.db2.gz MZAQEHXILVWCJB-UHFFFAOYSA-N 1 1 407.499 3.495 50 0 HGAAMO O=C(C[N@@H+](C[C@@H]1CCOC1)C1CC1)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000058147604 558902229 /nfs/dbraw/zinc/90/22/29/558902229.db2.gz CXIZJYGEFJRNDW-UWJYYQICSA-N 1 1 405.970 3.094 50 0 HGAAMO Cc1ccc(C(=O)NCc2ccc(N3CCC[N@H+](C)CC3)nc2)cc1-n1cccc1 ZINC000058194894 558910757 /nfs/dbraw/zinc/91/07/57/558910757.db2.gz BVTMFVHNTPRNGZ-UHFFFAOYSA-N 1 1 403.530 3.253 50 0 HGAAMO CCC(CC)[C@H](CNC(=O)COc1ccc(C(F)(F)F)cc1)[NH+]1CCOCC1 ZINC000059010033 558931541 /nfs/dbraw/zinc/93/15/41/558931541.db2.gz URWUUCLCQBKMSF-SFHVURJKSA-N 1 1 402.457 3.337 50 0 HGAAMO Cc1ccc(NC(=O)c2nnc(C(=O)NCCC[N@H+](C)Cc3ccccc3)s2)cc1 ZINC000033060420 558954887 /nfs/dbraw/zinc/95/48/87/558954887.db2.gz FAHMUOOBNANFER-UHFFFAOYSA-N 1 1 423.542 3.351 50 0 HGAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)CCc1nnc(C(=O)Nc2ccccc2)s1 ZINC000033061681 558955264 /nfs/dbraw/zinc/95/52/64/558955264.db2.gz IGXNEFKRKRNOKA-MRXNPFEDSA-N 1 1 415.563 3.104 50 0 HGAAMO Cc1ccccc1-c1cccc(C[N@H+]2C[C@H](n3cnnn3)C[C@H]2C(=O)NCC(C)C)c1 ZINC000064015404 558961600 /nfs/dbraw/zinc/96/16/00/558961600.db2.gz VFUQKOJKZRTLKR-GGAORHGYSA-N 1 1 418.545 3.236 50 0 HGAAMO Cc1ccccc1-c1cccc(C[N@@H+]2C[C@H](n3cnnn3)C[C@H]2C(=O)NCC(C)C)c1 ZINC000064015404 558961602 /nfs/dbraw/zinc/96/16/02/558961602.db2.gz VFUQKOJKZRTLKR-GGAORHGYSA-N 1 1 418.545 3.236 50 0 HGAAMO Cc1ccc2cc(C[N@H+]3C[C@H](O)[C@@H](N4CCOCC4)C3)c(-c3cccs3)nc2c1 ZINC000072435794 558980134 /nfs/dbraw/zinc/98/01/34/558980134.db2.gz DKHSMNZQDBQONT-SFTDATJTSA-N 1 1 409.555 3.149 50 0 HGAAMO O[C@H](COc1ccc(-c2ccccc2)cc1)C[N@H+]1CCCN(c2ncccn2)CC1 ZINC000072405731 558984845 /nfs/dbraw/zinc/98/48/45/558984845.db2.gz VCNNPYADKSFNCF-QFIPXVFZSA-N 1 1 404.514 3.096 50 0 HGAAMO C[N@@H+](CCCN1CC2(CCN(C(=O)c3ccoc3)CC2)OC1=O)C1CCCCC1 ZINC000077342812 559001863 /nfs/dbraw/zinc/00/18/63/559001863.db2.gz HSJLNWBYFPMZHQ-UHFFFAOYSA-N 1 1 403.523 3.361 50 0 HGAAMO Cc1ccc(C[N@@H+](C)Cc2ccc(C(=O)NCc3cnc4ccccc4c3)c(=O)[nH]2)o1 ZINC000077344111 559002030 /nfs/dbraw/zinc/00/20/30/559002030.db2.gz LJHZHJHYHSLHRQ-UHFFFAOYSA-N 1 1 416.481 3.387 50 0 HGAAMO Cc1ccc(C[N@H+](C)Cc2ccc(C(=O)NCc3cnc4ccccc4c3)c(=O)[nH]2)o1 ZINC000077344111 559002031 /nfs/dbraw/zinc/00/20/31/559002031.db2.gz LJHZHJHYHSLHRQ-UHFFFAOYSA-N 1 1 416.481 3.387 50 0 HGAAMO CSc1ncc(C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)n1-c1ccccc1 ZINC000023193932 559032176 /nfs/dbraw/zinc/03/21/76/559032176.db2.gz UEZHXIUOVMZKCW-UHFFFAOYSA-N 1 1 421.570 3.146 50 0 HGAAMO Cc1cc(CNC(=O)[C@@H]2CCC[N@H+](C3CCN(CCc4ccccc4)CC3)C2)on1 ZINC000082092667 559037135 /nfs/dbraw/zinc/03/71/35/559037135.db2.gz YLGQQFPJSOXTNR-OAQYLSRUSA-N 1 1 410.562 3.018 50 0 HGAAMO O=C(NCc1ccccn1)[C@@H]1CCC[N@H+](C2CCN(Cc3cccc(F)c3)CC2)C1 ZINC000082107377 559038551 /nfs/dbraw/zinc/03/85/51/559038551.db2.gz BQKIZIWWPUWSOU-HXUWFJFHSA-N 1 1 410.537 3.214 50 0 HGAAMO O=C(NCc1ccccn1)[C@@H]1CCC[N@H+](C2CCN(c3ncccc3Cl)CC2)C1 ZINC000082120722 559039348 /nfs/dbraw/zinc/03/93/48/559039348.db2.gz SLOKDVHTWBVQOC-QGZVFWFLSA-N 1 1 413.953 3.127 50 0 HGAAMO CC(C)(C)COC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082134881 559040019 /nfs/dbraw/zinc/04/00/19/559040019.db2.gz CCGZJGHUGLPNFC-GOSISDBHSA-N 1 1 416.566 3.057 50 0 HGAAMO O=C(NCc1cccnc1)[C@@H]1CCC[N@H+](C2CCN(Cc3cccc(F)c3)CC2)C1 ZINC000082128711 559040044 /nfs/dbraw/zinc/04/00/44/559040044.db2.gz ORLQQHXUGLFOET-OAQYLSRUSA-N 1 1 410.537 3.214 50 0 HGAAMO COC(=O)COCC[NH+]1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000087724198 559062181 /nfs/dbraw/zinc/06/21/81/559062181.db2.gz BYCHNMFDSQCCDD-JOCHJYFZSA-N 1 1 402.922 3.237 50 0 in-vitro HGAAMO O=C([C@@H]1CCC[N@H+](C2CCN(c3nc4ccccc4o3)CC2)C1)N1CCSCC1 ZINC000091270181 559070804 /nfs/dbraw/zinc/07/08/04/559070804.db2.gz BCRUKWCUAVWQCA-QGZVFWFLSA-N 1 1 414.575 3.084 50 0 HGAAMO O=C([C@@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1)N1CCC(F)(F)CC1 ZINC000091635776 559072641 /nfs/dbraw/zinc/07/26/41/559072641.db2.gz HLFMBMYUMFUQTH-LJQANCHMSA-N 1 1 406.521 3.016 50 0 HGAAMO O=C(C1CC1)N1CCc2nc[nH]c2C12CC[NH+](Cc1cccc3ncccc13)CC2 ZINC000095498332 559081755 /nfs/dbraw/zinc/08/17/55/559081755.db2.gz OQADLSRMNGROSH-UHFFFAOYSA-N 1 1 401.514 3.244 50 0 HGAAMO Cc1nc(CC(=O)N2C[C@@H](c3cc(F)cc(F)c3)[C@@H]3[C@H]2C2CC[NH+]3CC2)cs1 ZINC000095508714 559083463 /nfs/dbraw/zinc/08/34/63/559083463.db2.gz DMVFAENNLGXBQQ-CEWLAPEOSA-N 1 1 403.498 3.361 50 0 HGAAMO COCCN(C[C@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)c1cc(-c2ccsc2)n[nH]1 ZINC000409413124 559250449 /nfs/dbraw/zinc/25/04/49/559250449.db2.gz DBXANTGRDZMASA-OXQOHEQNSA-N 1 1 402.564 3.491 50 0 HGAAMO COCCN(C[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1cc(-c2ccsc2)[nH]n1 ZINC000409413124 559250451 /nfs/dbraw/zinc/25/04/51/559250451.db2.gz DBXANTGRDZMASA-OXQOHEQNSA-N 1 1 402.564 3.491 50 0 HGAAMO COCCN(C[C@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)c1cc(-c2ccsc2)[nH]n1 ZINC000409413124 559250453 /nfs/dbraw/zinc/25/04/53/559250453.db2.gz DBXANTGRDZMASA-OXQOHEQNSA-N 1 1 402.564 3.491 50 0 HGAAMO CCc1[nH+]ccn1CCC(=O)N1CC[C@@]2(C1)CCCN(Cc1cccc(C)c1)C2=O ZINC000426489342 559271867 /nfs/dbraw/zinc/27/18/67/559271867.db2.gz IYJHXCYXDGQBNM-XMMPIXPASA-N 1 1 408.546 3.185 50 0 HGAAMO N=c1c2c(ncn1CCC[NH+]1CCOCC1)Oc1cc(O)ccc1[C@H]2c1ccccc1 ZINC000005219255 560544151 /nfs/dbraw/zinc/54/41/51/560544151.db2.gz QRNMKPDJCRZKOT-OAQYLSRUSA-N 1 1 418.497 3.076 50 0 HGAAMO Cc1ccc(C(=O)N(CC2CC2)C[C@@H]2C[N@H+](C[C@@H](O)Cc3ccccc3)CCO2)cc1 ZINC000105038876 560860431 /nfs/dbraw/zinc/86/04/31/560860431.db2.gz VWPHGRZTSBAFER-DQEYMECFSA-N 1 1 422.569 3.152 50 0 HGAAMO Cc1ccc(C(=O)N(CC2CC2)C[C@@H]2C[N@@H+](C[C@@H](O)Cc3ccccc3)CCO2)cc1 ZINC000105038876 560860432 /nfs/dbraw/zinc/86/04/32/560860432.db2.gz VWPHGRZTSBAFER-DQEYMECFSA-N 1 1 422.569 3.152 50 0 HGAAMO C[NH+](C)[C@@H](CNC(=O)c1oc2ccccc2c1CSc1nc[nH]n1)c1ccco1 ZINC000006497302 560875124 /nfs/dbraw/zinc/87/51/24/560875124.db2.gz AVFUIHYAOQWGBP-HNNXBMFYSA-N 1 1 411.487 3.469 50 0 HGAAMO COc1ccc(C[N@H+](C)Cc2cc(=O)n3nc(C(C)(C)C)sc3n2)cc1OC ZINC000046032374 568424755 /nfs/dbraw/zinc/42/47/55/568424755.db2.gz GNMWFHJZVSXWRY-UHFFFAOYSA-N 1 1 402.520 3.098 50 0 HGAAMO COc1ccc(C[N@@H+](C)Cc2cc(=O)n3nc(C(C)(C)C)sc3n2)cc1OC ZINC000046032374 568424756 /nfs/dbraw/zinc/42/47/56/568424756.db2.gz GNMWFHJZVSXWRY-UHFFFAOYSA-N 1 1 402.520 3.098 50 0 HGAAMO CN1CC[N@@H+](CCCNC(=O)Nc2cccnc2N2CCCC2)[C@H](c2ccccc2)C1 ZINC000048235239 568432807 /nfs/dbraw/zinc/43/28/07/568432807.db2.gz CWLKTVFRLWZGIY-QFIPXVFZSA-N 1 1 422.577 3.182 50 0 HGAAMO C[N@@H+]1CCN(CCCNC(=O)Nc2cccnc2N2CCCC2)[C@H](c2ccccc2)C1 ZINC000048235239 568432808 /nfs/dbraw/zinc/43/28/08/568432808.db2.gz CWLKTVFRLWZGIY-QFIPXVFZSA-N 1 1 422.577 3.182 50 0 HGAAMO C[N@H+]1CCN(CCCNC(=O)Nc2cccnc2N2CCCC2)[C@H](c2ccccc2)C1 ZINC000048235239 568432809 /nfs/dbraw/zinc/43/28/09/568432809.db2.gz CWLKTVFRLWZGIY-QFIPXVFZSA-N 1 1 422.577 3.182 50 0 HGAAMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccccc1OC(F)(F)F)c1cccc(F)c1 ZINC000048314950 568438067 /nfs/dbraw/zinc/43/80/67/568438067.db2.gz ICMRNXCOUQZEOQ-AWEZNQCLSA-N 1 1 406.401 3.306 50 0 HGAAMO COc1cccc([C@H](CNS(=O)(=O)c2ccccc2OC(F)(F)F)[NH+](C)C)c1 ZINC000048325212 568438594 /nfs/dbraw/zinc/43/85/94/568438594.db2.gz NVPARFHGOXSQJB-HNNXBMFYSA-N 1 1 418.437 3.175 50 0 HGAAMO Cc1ccc(NC(=O)Cn2cnc3c(c2=O)C[N@@H+](Cc2ccccc2)CC3)cc1C ZINC000049400708 568447666 /nfs/dbraw/zinc/44/76/66/568447666.db2.gz BULKRDXGSFHDBO-UHFFFAOYSA-N 1 1 402.498 3.057 50 0 HGAAMO Cc1ccc(NC(=O)Cn2c(C)nc3c(c2=O)C[N@@H+](Cc2ccccc2)CC3)cc1F ZINC000049400788 568447678 /nfs/dbraw/zinc/44/76/78/568447678.db2.gz NZBVZXKXPBBGHR-UHFFFAOYSA-N 1 1 420.488 3.196 50 0 HGAAMO CCN1CC[NH+](CCCNC(=O)c2cc3c(s2)c2cc(C)ccc2oc3=O)CC1 ZINC000020286366 568596948 /nfs/dbraw/zinc/59/69/48/568596948.db2.gz WCHPRLDDQKMSRS-UHFFFAOYSA-N 1 1 413.543 3.074 50 0 HGAAMO C[C@H]1C[N@@H+](CCOc2ccc(CCNC(=O)Cc3ccc4c(c3)OCO4)cc2)C[C@H]1C ZINC000095460122 568620029 /nfs/dbraw/zinc/62/00/29/568620029.db2.gz QRIHZMYOWSLACY-KDURUIRLSA-N 1 1 424.541 3.283 50 0 HGAAMO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2cccc3c4c([nH]c32)CCCC4)CC1 ZINC000040118811 568620396 /nfs/dbraw/zinc/62/03/96/568620396.db2.gz LSQOUDSPRQKELY-UHFFFAOYSA-N 1 1 410.562 3.063 50 0 HGAAMO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2cccc3c4c([nH]c32)CCCC4)CC1 ZINC000040118811 568620399 /nfs/dbraw/zinc/62/03/99/568620399.db2.gz LSQOUDSPRQKELY-UHFFFAOYSA-N 1 1 410.562 3.063 50 0 HGAAMO CCOCCC[N@H+]1CC[C@@H](N2C(=O)CN(Cc3ccc(Cl)cc3)C2=O)[C@H](C)C1 ZINC000225456921 568639604 /nfs/dbraw/zinc/63/96/04/568639604.db2.gz UCENJBIKSGKDRS-VQIMIIECSA-N 1 1 407.942 3.241 50 0 HGAAMO COC(=O)c1scc(C)c1S(=O)(=O)N1c2ccc(C)cc2[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000225465659 568640475 /nfs/dbraw/zinc/64/04/75/568640475.db2.gz SUXDCCIDDJIEFD-WBVHZDCISA-N 1 1 420.556 3.148 50 0 HGAAMO Cc1ccc(NC(=S)N2CCC([N@@H+](C)CCN3CCOCC3)CC2)cc1Cl ZINC000020733901 568640915 /nfs/dbraw/zinc/64/09/15/568640915.db2.gz MRJYLQHWNYBNOS-UHFFFAOYSA-N 1 1 411.015 3.074 50 0 HGAAMO Cc1ccccc1[C@H]1CC[N@@H+](CCNC(=O)c2cn(CCc3ccccc3)nn2)C1 ZINC000012385352 568672780 /nfs/dbraw/zinc/67/27/80/568672780.db2.gz IKJGTXNGDNHISC-NRFANRHFSA-N 1 1 403.530 3.049 50 0 HGAAMO CCc1ccc(NC(=O)c2cccn2-c2nnc(N3CC[NH+](CC)CC3)s2)cc1 ZINC000021535339 568711731 /nfs/dbraw/zinc/71/17/31/568711731.db2.gz OKLCPMSJFQLQMK-UHFFFAOYSA-N 1 1 410.547 3.285 50 0 HGAAMO CC(C)C(=O)N1CCC[C@H](C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC000229892772 568715739 /nfs/dbraw/zinc/71/57/39/568715739.db2.gz WSZFFFSGSCYSLE-RJGXRXQPSA-N 1 1 411.590 3.394 50 0 HGAAMO CCOC(=O)C1C(C[NH2+]CCc2ccc(OCC)cc2)=NC(=O)N[C@H]1c1ccccc1 ZINC000085993821 568745116 /nfs/dbraw/zinc/74/51/16/568745116.db2.gz IFYDJSOVZBAADG-QFIPXVFZSA-N 1 1 423.513 3.089 50 0 HGAAMO Cc1ccc(N2CC[C@H](C(=O)N3CC[NH+](Cc4ccccc4)CC3)C2=O)c(Cl)c1 ZINC000096493801 568755147 /nfs/dbraw/zinc/75/51/47/568755147.db2.gz LCEQDDVJRHLJHS-LJQANCHMSA-N 1 1 411.933 3.346 50 0 HGAAMO CCN1CC[NH+](CCCNC(=O)c2cc(-c3cccnc3)nc3ccccc32)CC1 ZINC000021934562 568761905 /nfs/dbraw/zinc/76/19/05/568761905.db2.gz UHTRFFGUWQZBBB-UHFFFAOYSA-N 1 1 403.530 3.054 50 0 HGAAMO COc1ccc(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)cc1Br ZINC000022462473 568768360 /nfs/dbraw/zinc/76/83/60/568768360.db2.gz RULYDXQZVYEDAL-UHFFFAOYSA-N 1 1 411.340 3.223 50 0 HGAAMO COc1ccc(C[N@@H+](C)[C@H](C)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1F ZINC000097165332 568769655 /nfs/dbraw/zinc/76/96/55/568769655.db2.gz UYRPIEQFMVTQOZ-MRXNPFEDSA-N 1 1 422.522 3.048 50 0 HGAAMO C[N@@H+](CCCNC(=O)[C@@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1)Cc1ccccc1 ZINC000002954385 568829710 /nfs/dbraw/zinc/82/97/10/568829710.db2.gz JNTFYRHEOIIQQV-QGZVFWFLSA-N 1 1 417.912 3.470 50 0 HGAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)C1 ZINC000230171789 568853924 /nfs/dbraw/zinc/85/39/24/568853924.db2.gz ZTFOQFMVYLFUOG-JQVVWYNYSA-N 1 1 423.557 3.422 50 0 HGAAMO C[C@H]1CCc2c(sc3nc(CC[NH+]4CCN(c5nccs5)CC4)nc(N)c23)C1 ZINC000057727624 568858797 /nfs/dbraw/zinc/85/87/97/568858797.db2.gz ARVGIAJOQNZZRA-ZDUSSCGKSA-N 1 1 414.604 3.220 50 0 HGAAMO CC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]3CCC[N@H+]3[C@@]23c2ccccc2N(C)C3=O)cc1 ZINC000057992331 568873152 /nfs/dbraw/zinc/87/31/52/568873152.db2.gz DRDWZWPEMFPULX-WWEVIYMKSA-N 1 1 403.482 3.184 50 0 HGAAMO CCCCCNC(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1ccc2c(c1)OCO2 ZINC000504499885 568882861 /nfs/dbraw/zinc/88/28/61/568882861.db2.gz XFEVYGOFGKAHNI-OFAXGOBFSA-N 1 1 402.535 3.390 50 0 biogenic HGAAMO CCCCCNC(=O)C[N@H+]1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1ccc2c(c1)OCO2 ZINC000504499885 568882862 /nfs/dbraw/zinc/88/28/62/568882862.db2.gz XFEVYGOFGKAHNI-OFAXGOBFSA-N 1 1 402.535 3.390 50 0 biogenic HGAAMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)NCCc2ccc(C(F)(F)F)cc2)C[C@H](C)O1 ZINC000031028501 568909114 /nfs/dbraw/zinc/90/91/14/568909114.db2.gz SBCPCLSIMQJXIT-GASCZTMLSA-N 1 1 401.473 3.435 50 0 HGAAMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)NCCc2ccc(C(F)(F)F)cc2)C[C@H](C)O1 ZINC000031028501 568909117 /nfs/dbraw/zinc/90/91/17/568909117.db2.gz SBCPCLSIMQJXIT-GASCZTMLSA-N 1 1 401.473 3.435 50 0 HGAAMO COc1c(C)c[nH+]c(CN2CC[NH+]([C@H](C(=O)[O-])c3c[nH]c4ccc(C)cc43)CC2)c1C ZINC000031809658 568932292 /nfs/dbraw/zinc/93/22/92/568932292.db2.gz WSKUZRUFSNHTNW-QFIPXVFZSA-N 1 1 422.529 3.440 50 0 HGAAMO CCCOc1ccc(N2C(=O)C[C@@H]([N@H+](C)CCOc3ccc(OC)cc3)C2=O)cc1 ZINC000012761401 568945775 /nfs/dbraw/zinc/94/57/75/568945775.db2.gz ANYZULVYHULYRC-OAQYLSRUSA-N 1 1 412.486 3.127 50 0 HGAAMO CCCOc1ccc(N2C(=O)C[C@@H]([N@@H+](C)CCOc3ccc(OC)cc3)C2=O)cc1 ZINC000012761401 568945777 /nfs/dbraw/zinc/94/57/77/568945777.db2.gz ANYZULVYHULYRC-OAQYLSRUSA-N 1 1 412.486 3.127 50 0 HGAAMO O=C(NCc1ccccc1)NC1(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000084539223 568950745 /nfs/dbraw/zinc/95/07/45/568950745.db2.gz PKYKLNWTWLLCQH-QFIPXVFZSA-N 1 1 420.557 3.189 50 0 HGAAMO C[C@@H]1C[C@@H](C)C[NH+](Cc2csc(NC(=O)CNC(=O)c3ccc(F)cc3)n2)C1 ZINC000012783525 568959138 /nfs/dbraw/zinc/95/91/38/568959138.db2.gz GTMFEWMMAKUFHE-ZIAGYGMSSA-N 1 1 404.511 3.129 50 0 HGAAMO Cc1ccc(Nc2cc(N3CCN(S(=O)(=O)c4ccccc4)CC3)nc(C)[nH+]2)cc1 ZINC000015671309 568961898 /nfs/dbraw/zinc/96/18/98/568961898.db2.gz QZTURIWBZMFHMC-UHFFFAOYSA-N 1 1 423.542 3.348 50 0 HGAAMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000007988585 568965960 /nfs/dbraw/zinc/96/59/60/568965960.db2.gz PSGVWFZBBWVYHK-QFIPXVFZSA-N 1 1 406.530 3.321 50 0 HGAAMO C[NH+]1CCN(C(=O)CCCN2c3cc(Cl)ccc3Oc3ncccc3C2=O)CC1 ZINC000015680106 568966932 /nfs/dbraw/zinc/96/69/32/568966932.db2.gz ACXSHCOVQRQUFD-UHFFFAOYSA-N 1 1 414.893 3.042 50 0 HGAAMO C[N@H+](CC(=O)N1CCN(c2ccc(O)cc2)CC1)Cc1ccccc1N1CCCCC1 ZINC000008157277 568978620 /nfs/dbraw/zinc/97/86/20/568978620.db2.gz ZBXWRBPPNZOCOX-UHFFFAOYSA-N 1 1 422.573 3.163 50 0 HGAAMO C[N@@H+](CC(=O)N1CCN(c2ccc(O)cc2)CC1)Cc1ccccc1N1CCCCC1 ZINC000008157277 568978621 /nfs/dbraw/zinc/97/86/21/568978621.db2.gz ZBXWRBPPNZOCOX-UHFFFAOYSA-N 1 1 422.573 3.163 50 0 HGAAMO CCCC[N@@H+](CC)CCCNC(=O)[C@H]1CCCN(c2nnc(-n3cccc3)s2)C1 ZINC000015728122 568978891 /nfs/dbraw/zinc/97/88/91/568978891.db2.gz GDACXZNUWBPJJF-SFHVURJKSA-N 1 1 418.611 3.174 50 0 HGAAMO C[N@@H+](CCNC(=O)C1CCN(c2nc3cccnc3s2)CC1)Cc1ccccc1 ZINC000015770215 568997532 /nfs/dbraw/zinc/99/75/32/568997532.db2.gz HOIUXAJFZYHNNA-UHFFFAOYSA-N 1 1 409.559 3.156 50 0 HGAAMO Cc1ccccc1C[N@H+]1CCN(Cc2cnn(-c3ccc(F)cc3)c2)C[C@H]1CCO ZINC000104339098 569008319 /nfs/dbraw/zinc/00/83/19/569008319.db2.gz NOCNTCCVEKQEMY-XMMPIXPASA-N 1 1 408.521 3.389 50 0 HGAAMO C[N@H+](CCC(=O)NC(=O)NC1CCCC1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000012855621 569010995 /nfs/dbraw/zinc/01/09/95/569010995.db2.gz YECKCJDULBZNLJ-UHFFFAOYSA-N 1 1 415.321 3.022 50 0 HGAAMO C[N@@H+](CCC(=O)NC(=O)NC1CCCC1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000012855621 569010996 /nfs/dbraw/zinc/01/09/96/569010996.db2.gz YECKCJDULBZNLJ-UHFFFAOYSA-N 1 1 415.321 3.022 50 0 HGAAMO C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)C[N@H+](C)CCOc1cccc(Cl)c1 ZINC000012857373 569011228 /nfs/dbraw/zinc/01/12/28/569011228.db2.gz VPIJQKMNDCXPOJ-OAHLLOKOSA-N 1 1 401.894 3.415 50 0 HGAAMO C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)C[N@@H+](C)CCOc1cccc(Cl)c1 ZINC000012857373 569011229 /nfs/dbraw/zinc/01/12/29/569011229.db2.gz VPIJQKMNDCXPOJ-OAHLLOKOSA-N 1 1 401.894 3.415 50 0 HGAAMO COc1ccc([C@@H]([NH2+]CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c2ccccc2)cc1 ZINC000053517370 569031196 /nfs/dbraw/zinc/03/11/96/569031196.db2.gz COGBXHHBFDGVEV-QFIPXVFZSA-N 1 1 402.454 3.183 50 0 HGAAMO C[C@H](NC(=O)C[N@@H+]1CC[C@@H](OCc2ccccn2)C1)c1ccc(Br)cc1 ZINC000229885986 569040714 /nfs/dbraw/zinc/04/07/14/569040714.db2.gz XLSVBPMETYPGAH-HNAYVOBHSA-N 1 1 418.335 3.312 50 0 HGAAMO C[C@H](NC(=O)C[N@H+]1CC[C@@H](OCc2ccccn2)C1)c1ccc(Br)cc1 ZINC000229885986 569040715 /nfs/dbraw/zinc/04/07/15/569040715.db2.gz XLSVBPMETYPGAH-HNAYVOBHSA-N 1 1 418.335 3.312 50 0 HGAAMO Cc1sc(-c2ccco2)nc1C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000089556202 569070215 /nfs/dbraw/zinc/07/02/15/569070215.db2.gz BJTHURNOIMYEGL-MSOLQXFVSA-N 1 1 411.527 3.324 50 0 HGAAMO CC[N@@H+](C)[C@H](C)CCNC(=O)c1csc2c1CCN(Cc1c(C)noc1C)C2 ZINC000426599568 569073628 /nfs/dbraw/zinc/07/36/28/569073628.db2.gz LCINTPSDAUCYQF-CQSZACIVSA-N 1 1 404.580 3.371 50 0 HGAAMO O=C(C[NH+]1CCC(c2nc3ccccc3s2)CC1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000006654513 569082851 /nfs/dbraw/zinc/08/28/51/569082851.db2.gz RDSNFBQLLUUIHA-UHFFFAOYSA-N 1 1 407.499 3.284 50 0 HGAAMO COc1ccc(C[N@@H+](C[C@H](O)COCc2ccccc2)C[C@@H]2CCCO2)cc1OC ZINC000036096051 569090344 /nfs/dbraw/zinc/09/03/44/569090344.db2.gz ATUKVMYQOHLSII-VXKWHMMOSA-N 1 1 415.530 3.263 50 0 HGAAMO CC(C)COC[C@H](O)C[N@@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)CC(C)C ZINC000036156546 569101611 /nfs/dbraw/zinc/10/16/11/569101611.db2.gz SPVWJFKNMSUSIS-MRXNPFEDSA-N 1 1 421.607 3.355 50 0 HGAAMO CC(C)COC[C@H](O)C[N@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)CC(C)C ZINC000036156546 569101612 /nfs/dbraw/zinc/10/16/12/569101612.db2.gz SPVWJFKNMSUSIS-MRXNPFEDSA-N 1 1 421.607 3.355 50 0 HGAAMO COc1ccc([C@H]2CC(c3cc(C)ccc3C)=NN2C(=O)CN2CC[NH+](C)CC2)cc1 ZINC000036345150 569143088 /nfs/dbraw/zinc/14/30/88/569143088.db2.gz YPBJYJRTVMPGNN-XMMPIXPASA-N 1 1 420.557 3.237 50 0 HGAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)CN1c2ccccc2Oc2ncccc2C1=O ZINC000006878016 569164816 /nfs/dbraw/zinc/16/48/16/569164816.db2.gz WEDBGCBQRJXTRD-KRWDZBQOSA-N 1 1 408.502 3.215 50 0 HGAAMO CCN1CC[NH+](CCCNc2ccc(-c3nc(-c4cccc(F)c4)no3)cn2)CC1 ZINC000065097932 569176637 /nfs/dbraw/zinc/17/66/37/569176637.db2.gz BUPRKWLWEHQSLK-UHFFFAOYSA-N 1 1 410.497 3.377 50 0 HGAAMO C[N@H+](Cc1nc(Cn2ccn3nc(-c4cccs4)cc3c2=O)no1)C1CCCCC1 ZINC000065236006 569202560 /nfs/dbraw/zinc/20/25/60/569202560.db2.gz VCMKKQUVAGXTJY-UHFFFAOYSA-N 1 1 424.530 3.420 50 0 HGAAMO C[N@@H+](Cc1nc(Cn2ccn3nc(-c4cccs4)cc3c2=O)no1)C1CCCCC1 ZINC000065236006 569202562 /nfs/dbraw/zinc/20/25/62/569202562.db2.gz VCMKKQUVAGXTJY-UHFFFAOYSA-N 1 1 424.530 3.420 50 0 HGAAMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C(=O)N(C)c2ccc(F)c(F)c2)C1 ZINC000065503833 569232956 /nfs/dbraw/zinc/23/29/56/569232956.db2.gz HCQYGAKIBBMVLJ-MRXNPFEDSA-N 1 1 415.484 3.476 50 0 HGAAMO Cc1ccc(S(=O)(=O)Nc2ccccc2C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1Cl ZINC000170617463 569248103 /nfs/dbraw/zinc/24/81/03/569248103.db2.gz WKTKYHZZBCQFOY-MRXNPFEDSA-N 1 1 421.950 3.147 50 0 HGAAMO C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1CC(=O)NCC1(c2ccccc2)CCC1 ZINC000089920320 569268739 /nfs/dbraw/zinc/26/87/39/569268739.db2.gz DRKLJUVPZCDKQZ-OALUTQOASA-N 1 1 415.578 3.460 50 0 HGAAMO C[C@H]1C[NH+](C(C)(C)CNC(=O)c2ccc(-c3noc(C(F)F)n3)cc2)C[C@H](C)O1 ZINC000253417864 569367594 /nfs/dbraw/zinc/36/75/94/569367594.db2.gz QRKUIVMOYPLFHK-STQMWFEESA-N 1 1 408.449 3.292 50 0 HGAAMO O=C(Cn1nc(C(F)F)c2c1CCC2)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000054992642 569375991 /nfs/dbraw/zinc/37/59/91/569375991.db2.gz LGZYSMIYCRLFCD-QGZVFWFLSA-N 1 1 415.488 3.233 50 0 HGAAMO COc1ccc([C@H](O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)c(OC)c1 ZINC000012660522 569402609 /nfs/dbraw/zinc/40/26/09/569402609.db2.gz YLFOXWHTQSYROJ-IAGOWNOFSA-N 1 1 401.459 3.094 50 0 biogenic HGAAMO COc1ccc([C@H](O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)c(OC)c1 ZINC000012660522 569402610 /nfs/dbraw/zinc/40/26/10/569402610.db2.gz YLFOXWHTQSYROJ-IAGOWNOFSA-N 1 1 401.459 3.094 50 0 biogenic HGAAMO C[C@H]1C[C@H](NC(=O)c2cccc(C(=O)N3CCCC3)n2)CC[N@H+]1Cc1ccccc1 ZINC000079025238 569424787 /nfs/dbraw/zinc/42/47/87/569424787.db2.gz NORMPTKZHRTKHA-AZUAARDMSA-N 1 1 406.530 3.101 50 0 HGAAMO C[C@@H]1C[C@H](NC(=O)c2cccc(C(=O)N3CCCC3)n2)CC[N@H+]1Cc1ccccc1 ZINC000079025234 569424792 /nfs/dbraw/zinc/42/47/92/569424792.db2.gz NORMPTKZHRTKHA-UYAOXDASSA-N 1 1 406.530 3.101 50 0 HGAAMO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)CN2C(=O)COc3ccccc32)c1 ZINC000079073967 569426924 /nfs/dbraw/zinc/42/69/24/569426924.db2.gz WDCLZSZIWJOWGD-UHFFFAOYSA-N 1 1 409.530 3.350 50 0 HGAAMO C[C@H]([NH2+]Cc1cnn([C@@]2(C)CCS(=O)(=O)C2)c1)c1ccccc1Br ZINC000079108808 569427797 /nfs/dbraw/zinc/42/77/97/569427797.db2.gz HYNKILQJRBXKIG-GUYCJALGSA-N 1 1 412.353 3.030 50 0 HGAAMO O=C(CCc1nc2cc(Br)cnc2[nH]1)NC[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000079191726 569429365 /nfs/dbraw/zinc/42/93/65/569429365.db2.gz HDCXFIQASNQSDD-BBRMVZONSA-N 1 1 420.355 3.034 50 0 biogenic HGAAMO CC[N@@H+]1CCC[C@@H]1CNC(=O)COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000008879708 571131053 /nfs/dbraw/zinc/13/10/53/571131053.db2.gz QPFQUDVKEBEAJM-QGZVFWFLSA-N 1 1 422.481 3.145 50 0 biogenic HGAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000008879708 571131055 /nfs/dbraw/zinc/13/10/55/571131055.db2.gz QPFQUDVKEBEAJM-QGZVFWFLSA-N 1 1 422.481 3.145 50 0 biogenic HGAAMO COc1cc(CCC2CC[NH+](CC(=O)Nc3cc(C)nn3C)CC2)cc(OC)c1 ZINC000040039004 571142001 /nfs/dbraw/zinc/14/20/01/571142001.db2.gz NBOISIOQXVACHZ-UHFFFAOYSA-N 1 1 400.523 3.029 50 0 HGAAMO C[N@@H+]1CCN(C(=O)Nc2ccc(C(=O)NCC(F)(F)F)cc2)[C@H](c2ccccc2)C1 ZINC000040104965 571165695 /nfs/dbraw/zinc/16/56/95/571165695.db2.gz PZVUDGXJTOANRM-SFHVURJKSA-N 1 1 420.435 3.499 50 0 HGAAMO C[N@H+]1CCN(C(=O)Nc2ccc(C(=O)NCC(F)(F)F)cc2)[C@H](c2ccccc2)C1 ZINC000040104965 571165697 /nfs/dbraw/zinc/16/56/97/571165697.db2.gz PZVUDGXJTOANRM-SFHVURJKSA-N 1 1 420.435 3.499 50 0 HGAAMO CCCn1nc(C(=O)NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)ccc1=O ZINC000040107179 571167549 /nfs/dbraw/zinc/16/75/49/571167549.db2.gz QNMRGGQESAZUQE-HXUWFJFHSA-N 1 1 422.554 3.244 50 0 HGAAMO CCCn1nc(C(=O)NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)ccc1=O ZINC000040107179 571167552 /nfs/dbraw/zinc/16/75/52/571167552.db2.gz QNMRGGQESAZUQE-HXUWFJFHSA-N 1 1 422.554 3.244 50 0 HGAAMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1 ZINC000040112645 571170866 /nfs/dbraw/zinc/17/08/66/571170866.db2.gz GSEOVEAFEVUOJH-SFHVURJKSA-N 1 1 421.607 3.292 50 0 HGAAMO Cc1[nH+]c2n(c1CCNS(=O)(=O)c1ccc(Br)c(C)c1)CCCC2 ZINC000040158368 571204882 /nfs/dbraw/zinc/20/48/82/571204882.db2.gz XAIOCOUZUTYXMN-UHFFFAOYSA-N 1 1 412.353 3.120 50 0 HGAAMO CC[N@H+]1CCC[C@@H]1CNc1nc(-c2ccc3c(c2)CCCN3S(C)(=O)=O)cs1 ZINC000069378610 571224726 /nfs/dbraw/zinc/22/47/26/571224726.db2.gz ZKHNCMVQSOSSNY-QGZVFWFLSA-N 1 1 420.604 3.419 50 0 HGAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(NC(=O)C2=CSCCO2)cc1 ZINC000009738055 571283130 /nfs/dbraw/zinc/28/31/30/571283130.db2.gz XUYMKXJKSYGOHY-MRXNPFEDSA-N 1 1 403.548 3.224 50 0 HGAAMO O=C(c1ccc(F)cc1)N1CCC[C@H](N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC000034676498 571316367 /nfs/dbraw/zinc/31/63/67/571316367.db2.gz GYVSINOAXGPJNT-QFIPXVFZSA-N 1 1 411.521 3.127 50 0 HGAAMO O=C(c1ccc(F)cc1)N1CCC[C@H]([NH+]2CCN(CCOc3ccccc3)CC2)C1 ZINC000034676498 571316368 /nfs/dbraw/zinc/31/63/68/571316368.db2.gz GYVSINOAXGPJNT-QFIPXVFZSA-N 1 1 411.521 3.127 50 0 HGAAMO Cc1ccc(-n2nc(C(=O)NCC[C@H]3CCC[N@@H+]3C)nc2Cc2ccccc2)cc1 ZINC000034911178 571316712 /nfs/dbraw/zinc/31/67/12/571316712.db2.gz FKNHMMCUZISHIH-HXUWFJFHSA-N 1 1 403.530 3.381 50 0 HGAAMO O=C(C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1)N1CC(=O)Nc2ccccc21 ZINC000008249070 132329075 /nfs/dbraw/zinc/32/90/75/132329075.db2.gz KUKHFRSBPSQBDQ-HNNXBMFYSA-N 1 1 406.511 3.461 50 0 HGAAMO O=C(C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1)N1CC(=O)Nc2ccccc21 ZINC000008249070 132329077 /nfs/dbraw/zinc/32/90/77/132329077.db2.gz KUKHFRSBPSQBDQ-HNNXBMFYSA-N 1 1 406.511 3.461 50 0 HGAAMO C[N@@H+](CCc1ccccc1)[C@@H]1CCCN(C(=O)c2cccc(N3CCOCC3)c2)C1 ZINC000011936883 132352425 /nfs/dbraw/zinc/35/24/25/132352425.db2.gz UPRWDFFFWPSTNP-XMMPIXPASA-N 1 1 407.558 3.302 50 0 HGAAMO CCOC(=O)[C@H]1CCCC[N@@H+]1C1CCN(c2nc(C)c3ccc(OC)cc3n2)CC1 ZINC000012099018 132353963 /nfs/dbraw/zinc/35/39/63/132353963.db2.gz LYJBVCUEYINOST-OAQYLSRUSA-N 1 1 412.534 3.333 50 0 HGAAMO CCOC(=O)[C@H]1CCCC[N@H+]1C1CCN(c2nc(C)c3ccc(OC)cc3n2)CC1 ZINC000012099018 132353965 /nfs/dbraw/zinc/35/39/65/132353965.db2.gz LYJBVCUEYINOST-OAQYLSRUSA-N 1 1 412.534 3.333 50 0 HGAAMO Cc1cc(Nc2ccccc2)nc(N2CCN(S(=O)(=O)c3ccccc3)CC2)[nH+]1 ZINC000017012912 132464803 /nfs/dbraw/zinc/46/48/03/132464803.db2.gz NSTPCUZKAJPGOE-UHFFFAOYSA-N 1 1 409.515 3.040 50 0 HGAAMO CCOc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N(CCC(N)=O)c2ccc(F)cc2)cc1 ZINC000032773046 521246710 /nfs/dbraw/zinc/24/67/10/521246710.db2.gz NAWHXTYHZGMCPT-NRFANRHFSA-N 1 1 413.493 3.270 50 0 HGAAMO CCOc1ccc([C@@H]2CCC[N@H+]2CC(=O)N(CCC(N)=O)c2ccc(F)cc2)cc1 ZINC000032773046 521246722 /nfs/dbraw/zinc/24/67/22/521246722.db2.gz NAWHXTYHZGMCPT-NRFANRHFSA-N 1 1 413.493 3.270 50 0 HGAAMO CCOC(=O)c1ccc(S(=O)(=O)NC[C@@H](c2ccc(CC)cc2)[NH+](C)C)cc1 ZINC000040161407 521529128 /nfs/dbraw/zinc/52/91/28/521529128.db2.gz ORAZKKZKTFXFLA-FQEVSTJZSA-N 1 1 404.532 3.007 50 0 HGAAMO CCN1CC[NH+](CCCNC(=O)c2c3ccccc3nnc2-c2ccc(C)cc2)CC1 ZINC000032952928 521681630 /nfs/dbraw/zinc/68/16/30/521681630.db2.gz TXXUMTFDJBEZAU-UHFFFAOYSA-N 1 1 417.557 3.363 50 0 HGAAMO COc1ccc(-c2n[nH]cc2CN2CC[N@@H+](Cc3ccccc3)[C@@H](CCO)C2)cc1 ZINC000020539208 523183064 /nfs/dbraw/zinc/18/30/64/523183064.db2.gz GQEKMTJEVCMSGA-QFIPXVFZSA-N 1 1 406.530 3.154 50 0 HGAAMO Cc1ccccc1C[NH+]1CCN(C(=O)C[C@@H](NC(N)=O)c2ccc(Cl)cc2)CC1 ZINC000032676110 525144169 /nfs/dbraw/zinc/14/41/69/525144169.db2.gz FPGLTVQFCZRYMB-HXUWFJFHSA-N 1 1 414.937 3.092 50 0 HGAAMO CC(=O)c1ccc(N2CCN(C(=O)C[N@@H+](C)[C@@H](C)c3cccs3)CC2)c(F)c1 ZINC000010057002 534847759 /nfs/dbraw/zinc/84/77/59/534847759.db2.gz WERHZYXIMFGBLH-HNNXBMFYSA-N 1 1 403.523 3.431 50 0 HGAAMO CC(=O)c1ccc(N2CCN(C(=O)C[N@H+](C)[C@@H](C)c3cccs3)CC2)c(F)c1 ZINC000010057002 534847768 /nfs/dbraw/zinc/84/77/68/534847768.db2.gz WERHZYXIMFGBLH-HNNXBMFYSA-N 1 1 403.523 3.431 50 0 HGAAMO Cc1ccc(-c2noc(COc3ccccc3C(=O)N3CCC[N@H+](C)CC3)n2)cc1 ZINC000032579161 525879832 /nfs/dbraw/zinc/87/98/32/525879832.db2.gz WAPOWHOOXSIBBT-UHFFFAOYSA-N 1 1 406.486 3.402 50 0 HGAAMO Cc1csc(=O)n1CCC(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000048353693 526308268 /nfs/dbraw/zinc/30/82/68/526308268.db2.gz LGIIMXNWEOVPLT-CALCHBBNSA-N 1 1 401.576 3.403 50 0 HGAAMO O=C(/C=C/c1ccc2c(c1)OCCCO2)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000029716242 527620079 /nfs/dbraw/zinc/62/00/79/527620079.db2.gz LTWRWQFGDIXRSA-VQHVLOKHSA-N 1 1 408.498 3.010 50 0 HGAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)CN1C(=O)/C(=C\c2ccc(F)cc2)Oc2ccccc21 ZINC000004932644 535561281 /nfs/dbraw/zinc/56/12/81/535561281.db2.gz ADIQCXUDMWODBV-VZMFNRANSA-N 1 1 423.488 3.193 50 0 HGAAMO O=C(COc1ccccc1)Nc1ccc(N2CCC[N@@H+](Cc3cccnc3)CC2)nc1 ZINC000034681994 557384006 /nfs/dbraw/zinc/38/40/06/557384006.db2.gz FCMWBLOSMFOPHR-UHFFFAOYSA-N 1 1 417.513 3.206 50 0 HGAAMO COc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(c4nc5ccccc5[nH]4)CC3)C2=O)cc1 ZINC000004171669 557523831 /nfs/dbraw/zinc/52/38/31/557523831.db2.gz ICBJBVHQOVSKEC-HXUWFJFHSA-N 1 1 404.470 3.083 50 0 HGAAMO O=C(Cn1ncc2c1-c1ccccc1OC2)NCCC[N@H+]1CCc2ccccc2C1 ZINC000006805320 557722558 /nfs/dbraw/zinc/72/25/58/557722558.db2.gz XWOJUZYEXNCZTE-UHFFFAOYSA-N 1 1 402.498 3.007 50 0 HGAAMO O=C(CC[NH+]1CCN(CC(=O)Nc2cccc(F)c2)CC1)Nc1cccc(Cl)c1 ZINC000022912674 558258540 /nfs/dbraw/zinc/25/85/40/558258540.db2.gz UKXQHMLRYJNFKH-UHFFFAOYSA-N 1 1 418.900 3.064 50 0 HGAAMO COc1ccc(C[N@H+]2CCN(Cc3cccn3-c3ccccn3)C[C@@H]2CCO)cc1C ZINC000019745947 558266066 /nfs/dbraw/zinc/26/60/66/558266066.db2.gz VVZKSRRSLYHQRU-QFIPXVFZSA-N 1 1 420.557 3.258 50 0 HGAAMO O=C(NCc1cccc(Cl)c1)[C@H]1CCC[N@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000011662287 558266200 /nfs/dbraw/zinc/26/62/00/558266200.db2.gz SPYWYYBLZKFCTR-SFHVURJKSA-N 1 1 403.954 3.069 50 0 HGAAMO COc1ccc(CN(C)Cc2ccc(C)o2)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000011763032 558273616 /nfs/dbraw/zinc/27/36/16/558273616.db2.gz LYUHHTWOWFGBMW-FQEVSTJZSA-N 1 1 402.535 3.454 50 0 HGAAMO O=C(CCN1Cc2ccccc2C1=O)N[C@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000011812745 558277764 /nfs/dbraw/zinc/27/77/64/558277764.db2.gz FBRJCAPTTZBUNR-QFIPXVFZSA-N 1 1 405.542 3.246 50 0 HGAAMO O=C(NCc1ccco1)[C@H]1CCC[N@@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC000011816660 558280144 /nfs/dbraw/zinc/28/01/44/558280144.db2.gz YRHDHHNMVDMXQF-NRFANRHFSA-N 1 1 407.558 3.240 50 0 HGAAMO O=C(NCc1ccco1)[C@H]1CCC[N@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC000011816660 558280145 /nfs/dbraw/zinc/28/01/45/558280145.db2.gz YRHDHHNMVDMXQF-NRFANRHFSA-N 1 1 407.558 3.240 50 0 HGAAMO CCn1ccnc1C[N@H+]1CC[C@@]2(C1)CCCN(Cc1cc(OC)ccc1F)C2=O ZINC000011818940 558282049 /nfs/dbraw/zinc/28/20/49/558282049.db2.gz HAZXGSRKGXRAOD-JOCHJYFZSA-N 1 1 400.498 3.065 50 0 HGAAMO Cc1cc(C)c2c(c1)[nH]c(C)c(C[NH+]1CCN(Cc3ccc4c(c3)OCO4)CC1)c2=O ZINC000019793545 558283829 /nfs/dbraw/zinc/28/38/29/558283829.db2.gz RREGMPQZKRUJGE-UHFFFAOYSA-N 1 1 419.525 3.500 50 0 HGAAMO COc1ccc(C[N@H+]2CCC[C@](CO)(Cc3ccc(F)cc3)C2)cc1Cn1cncn1 ZINC000011843327 558288210 /nfs/dbraw/zinc/28/82/10/558288210.db2.gz IPMGMRFWCUYKHZ-DEOSSOPVSA-N 1 1 424.520 3.291 50 0 HGAAMO C[N@H+](Cc1ccccc1)[C@H]1CC(=O)N(c2ccc(I)cc2)C1=O ZINC000019832333 558291989 /nfs/dbraw/zinc/29/19/89/558291989.db2.gz UXYHRWKZHDJGPW-INIZCTEOSA-N 1 1 420.250 3.055 50 0 HGAAMO C[N@@H+](Cc1ccccc1)[C@H]1CC(=O)N(c2ccc(I)cc2)C1=O ZINC000019832333 558291993 /nfs/dbraw/zinc/29/19/93/558291993.db2.gz UXYHRWKZHDJGPW-INIZCTEOSA-N 1 1 420.250 3.055 50 0 HGAAMO C[N@H+](Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2)C[C@H]1COCCO1 ZINC000011879149 558293668 /nfs/dbraw/zinc/29/36/68/558293668.db2.gz UYYXMDYYXMZJLO-NRFANRHFSA-N 1 1 421.497 3.174 50 0 HGAAMO O=C([C@@H]1CO[C@@H]2C=CC=C[C@@H]2O1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019897272 558303686 /nfs/dbraw/zinc/30/36/86/558303686.db2.gz IDWULGNULPQONK-SGNDLWITSA-N 1 1 416.521 3.199 50 0 HGAAMO COc1ccccc1-n1cc(C[N@@H+]2CCC(=O)N(Cc3ccccc3C)CC2)cn1 ZINC000011995746 558306577 /nfs/dbraw/zinc/30/65/77/558306577.db2.gz GIQXCZWYRCYHEV-UHFFFAOYSA-N 1 1 404.514 3.424 50 0 HGAAMO Cn1cc(C[N@H+]2CCCC[C@@H]2CCn2cccn2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000012058453 558316784 /nfs/dbraw/zinc/31/67/84/558316784.db2.gz BVJVZPTVNUYKSP-HXUWFJFHSA-N 1 1 407.518 3.500 50 0 HGAAMO CN(C[C@@H]1CCCC[N@H+]1C)C(=O)c1cn(C(c2ccccc2)c2ccccc2)nn1 ZINC000012073661 558318650 /nfs/dbraw/zinc/31/86/50/558318650.db2.gz ALYPXKQQURDNET-NRFANRHFSA-N 1 1 403.530 3.472 50 0 HGAAMO Cn1cc(CN2CC[N@@H+](C)C[C@@H]2c2ccccc2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000020167680 558343050 /nfs/dbraw/zinc/34/30/50/558343050.db2.gz YBQQSYPSBGZGQB-OAQYLSRUSA-N 1 1 404.514 3.347 50 0 HGAAMO CC(C)CN1C[C@H](OCc2ccncc2)C[N@H+](Cc2c[nH]c3ccccc23)CC1=O ZINC000020210837 558347538 /nfs/dbraw/zinc/34/75/38/558347538.db2.gz LCICVUVHINHETH-OAQYLSRUSA-N 1 1 406.530 3.449 50 0 HGAAMO CC(C)CN1C[C@H](OCc2ccncc2)C[N@@H+](Cc2c[nH]c3ccccc23)CC1=O ZINC000020210837 558347539 /nfs/dbraw/zinc/34/75/39/558347539.db2.gz LCICVUVHINHETH-OAQYLSRUSA-N 1 1 406.530 3.449 50 0 HGAAMO CC(C)CN1C[C@@H](OCc2ccncc2)C[N@H+](Cc2c[nH]c3ccccc23)CC1=O ZINC000020210833 558347543 /nfs/dbraw/zinc/34/75/43/558347543.db2.gz LCICVUVHINHETH-NRFANRHFSA-N 1 1 406.530 3.449 50 0 HGAAMO CC(C)CN1C[C@@H](OCc2ccncc2)C[N@@H+](Cc2c[nH]c3ccccc23)CC1=O ZINC000020210833 558347544 /nfs/dbraw/zinc/34/75/44/558347544.db2.gz LCICVUVHINHETH-NRFANRHFSA-N 1 1 406.530 3.449 50 0 HGAAMO CC(C)(C)c1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)C[NH+]2CCC(O)CC2)cc1 ZINC000012203334 558351918 /nfs/dbraw/zinc/35/19/18/558351918.db2.gz IEXUPHZICUGSIS-NRFANRHFSA-N 1 1 410.562 3.120 50 0 HGAAMO O=C(NCCC[N@@H+]1CCC[C@H](O)C1)c1ccc2oc(CCc3ccccc3)nc2c1 ZINC000012206007 558352735 /nfs/dbraw/zinc/35/27/35/558352735.db2.gz FULQXJOPRRRVSN-FQEVSTJZSA-N 1 1 407.514 3.190 50 0 HGAAMO C[NH+]1CCN(C(=O)[C@@H](NC(=O)C2CCCCC2)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000020352000 558356847 /nfs/dbraw/zinc/35/68/47/558356847.db2.gz BODPZWLRXFVIBB-ZNKOEICNSA-N 1 1 401.595 3.042 50 0 HGAAMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]2CCC(=O)N(Cc3ccccc3F)C2)cc1 ZINC000012307127 558375983 /nfs/dbraw/zinc/37/59/83/558375983.db2.gz PWORMTILDJAMSF-FQEVSTJZSA-N 1 1 420.488 3.375 50 0 HGAAMO O=C(CC[C@@H]1CCC[N@@H+](CCCn2cccn2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000012386037 558394760 /nfs/dbraw/zinc/39/47/60/558394760.db2.gz OVGYMZPLVPTRBU-DEOSSOPVSA-N 1 1 423.605 3.110 50 0 HGAAMO CC(C)Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)CN(C)Cc3ccncc3)C2)cc1 ZINC000012449308 558415856 /nfs/dbraw/zinc/41/58/56/558415856.db2.gz PEKRERLKFYTKKO-XMMPIXPASA-N 1 1 408.590 3.493 50 0 HGAAMO CCOc1ccc(C[N@@H+]2CCC[C@@H](N3CCN(c4ccccc4)CC3)C2)cc1CO ZINC000020869283 558418375 /nfs/dbraw/zinc/41/83/75/558418375.db2.gz NSNGXEOAIWSEHE-XMMPIXPASA-N 1 1 409.574 3.364 50 0 HGAAMO CCOc1ccc(C[N@H+]2CCC[C@@H](N3CCN(c4ccccc4)CC3)C2)cc1CO ZINC000020869283 558418377 /nfs/dbraw/zinc/41/83/77/558418377.db2.gz NSNGXEOAIWSEHE-XMMPIXPASA-N 1 1 409.574 3.364 50 0 HGAAMO O=C1N(C2Cc3ccccc3C2)C[C@@H]2C[C@@H](c3cccc4c3OCO4)[N@H+]3CCC[C@@]123 ZINC000012458770 558418498 /nfs/dbraw/zinc/41/84/98/558418498.db2.gz DWCGDRRZFGJLTM-HMHJJOSWSA-N 1 1 402.494 3.321 50 0 HGAAMO Cc1ccc(C[N@@H+]2CCc3nnc([C@H](C)NC(=O)CCc4ccccc4)n3CC2)o1 ZINC000020908438 558421832 /nfs/dbraw/zinc/42/18/32/558421832.db2.gz KFKCGYAQBWHEFJ-SFHVURJKSA-N 1 1 407.518 3.048 50 0 HGAAMO COCc1ccc(C(=O)N2CCC[C@H]([N@@H+](C)CCc3ccc(OC)c(OC)c3)C2)o1 ZINC000012480089 558423400 /nfs/dbraw/zinc/42/34/00/558423400.db2.gz RMBWUOXJLHEIHR-SFHVURJKSA-N 1 1 416.518 3.222 50 0 HGAAMO CCn1nc(C)c(CN2CC[N@@H+](Cc3ccc(OC)c(C)c3C)[C@@H](CCO)C2)c1C ZINC000020996404 558426758 /nfs/dbraw/zinc/42/67/58/558426758.db2.gz JRIMTWFYGWITJW-QFIPXVFZSA-N 1 1 414.594 3.214 50 0 HGAAMO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+](CCCn3cccn3)C2)c(OC)c1 ZINC000012589690 558435336 /nfs/dbraw/zinc/43/53/36/558435336.db2.gz KIJRJTCGSKMUFB-IBGZPJMESA-N 1 1 414.550 3.099 50 0 HGAAMO CN(C(=O)CCN1Cc2ccccc2C1=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000012596557 558437891 /nfs/dbraw/zinc/43/78/91/558437891.db2.gz PWCFBMZKSNMTAQ-QFIPXVFZSA-N 1 1 405.542 3.198 50 0 HGAAMO Cc1nc(N2CCCC2)cc(N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)[nH+]1 ZINC000021793669 558449308 /nfs/dbraw/zinc/44/93/08/558449308.db2.gz MSEUIRCPELBISB-UHFFFAOYSA-N 1 1 419.451 3.366 50 0 HGAAMO CCOC(=O)c1c(C)c(C)sc1NC(=O)CNC[C@H](c1ccccc1)[NH+](C)C ZINC000022029734 558458981 /nfs/dbraw/zinc/45/89/81/558458981.db2.gz RSTCGKXBBFMXMS-QGZVFWFLSA-N 1 1 403.548 3.373 50 0 HGAAMO C[C@@H]1C[C@H](C)C[N@@H+](Cc2csc(NC(=O)c3ccc4c(c3)OCC(=O)N4)n2)C1 ZINC000022296696 558476999 /nfs/dbraw/zinc/47/69/99/558476999.db2.gz BGSVFLARCJCLSQ-BETUJISGSA-N 1 1 400.504 3.204 50 0 HGAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2csc(NC(=O)c3ccc4c(c3)OCC(=O)N4)n2)C1 ZINC000022296696 558477002 /nfs/dbraw/zinc/47/70/02/558477002.db2.gz BGSVFLARCJCLSQ-BETUJISGSA-N 1 1 400.504 3.204 50 0 HGAAMO Cc1cc(C)c(C)c(S(=O)(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)c1C ZINC000012997331 558498976 /nfs/dbraw/zinc/49/89/76/558498976.db2.gz BSJIEPHTIVJKQS-UHFFFAOYSA-N 1 1 402.560 3.231 50 0 HGAAMO Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1 ZINC000013071322 558511474 /nfs/dbraw/zinc/51/14/74/558511474.db2.gz FMLRSPICFWMISW-KRWDZBQOSA-N 1 1 403.548 3.013 50 0 HGAAMO Cc1cccc(CNC(=O)c2coc(CN3CC[NH+](Cc4ccccc4)CC3)n2)c1 ZINC000022851210 558516826 /nfs/dbraw/zinc/51/68/26/558516826.db2.gz JSYCDWZFSFOEIS-UHFFFAOYSA-N 1 1 404.514 3.231 50 0 HGAAMO C[C@H](C(=O)NCc1cccs1)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000022931672 558524436 /nfs/dbraw/zinc/52/44/36/558524436.db2.gz XWMMHLGNZCWZIO-MRXNPFEDSA-N 1 1 407.967 3.103 50 0 HGAAMO O=C(c1nc2ccccn2c1CN1CCC[N@@H+](Cc2cccs2)CC1)N1CCCC1 ZINC000023192477 558541951 /nfs/dbraw/zinc/54/19/51/558541951.db2.gz JININNFMWKCWIZ-UHFFFAOYSA-N 1 1 423.586 3.340 50 0 HGAAMO COc1ccccc1OCC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(F)c(OC)c2)C1 ZINC000023310933 558548664 /nfs/dbraw/zinc/54/86/64/558548664.db2.gz DJTVJPDIVOHVIK-GOSISDBHSA-N 1 1 416.493 3.250 50 0 HGAAMO C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[NH+]1CCC(c2nc3ccccc3o2)CC1 ZINC000025049845 558628554 /nfs/dbraw/zinc/62/85/54/558628554.db2.gz LGVAATYSXZBGLQ-CYBMUJFWSA-N 1 1 405.458 3.204 50 0 HGAAMO CC(C)c1ccc(CN(C(=O)C2CC[NH+]([C@H]3CCS(=O)(=O)C3)CC2)C2CC2)cc1 ZINC000025052932 558628982 /nfs/dbraw/zinc/62/89/82/558628982.db2.gz LOXGOXVDOZUNIH-QFIPXVFZSA-N 1 1 418.603 3.200 50 0 HGAAMO COc1ccc([C@H]2CCCCC[N@H+]2C[C@@H](O)CN2C(=O)c3ccccc3C2=O)cc1 ZINC000025231756 558635249 /nfs/dbraw/zinc/63/52/49/558635249.db2.gz DHLQMQQQQLGETD-XMSQKQJNSA-N 1 1 408.498 3.269 50 0 HGAAMO COc1ccc(Br)c(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000014229106 558639483 /nfs/dbraw/zinc/63/94/83/558639483.db2.gz JHNNLWUVDBJHQI-UHFFFAOYSA-N 1 1 419.319 3.220 50 0 HGAAMO Cc1csc(C[N@@H+](C)[C@H]2CCc3c(c(C(=O)N(C)Cc4ccco4)nn3C)C2)n1 ZINC000014741235 558666843 /nfs/dbraw/zinc/66/68/43/558666843.db2.gz SHDBRXLGRIPMIY-HNNXBMFYSA-N 1 1 413.547 3.040 50 0 HGAAMO Cc1csc(C[N@H+](C)[C@H]2CCc3c(c(C(=O)N(C)Cc4ccco4)nn3C)C2)n1 ZINC000014741235 558666846 /nfs/dbraw/zinc/66/68/46/558666846.db2.gz SHDBRXLGRIPMIY-HNNXBMFYSA-N 1 1 413.547 3.040 50 0 HGAAMO Cc1csc(C[N@@H+](C)[C@@H]2CCc3c(c(C(=O)N(C)Cc4ccco4)nn3C)C2)n1 ZINC000014741234 558666872 /nfs/dbraw/zinc/66/68/72/558666872.db2.gz SHDBRXLGRIPMIY-OAHLLOKOSA-N 1 1 413.547 3.040 50 0 HGAAMO Cc1csc(C[N@H+](C)[C@@H]2CCc3c(c(C(=O)N(C)Cc4ccco4)nn3C)C2)n1 ZINC000014741234 558666874 /nfs/dbraw/zinc/66/68/74/558666874.db2.gz SHDBRXLGRIPMIY-OAHLLOKOSA-N 1 1 413.547 3.040 50 0 HGAAMO COC(=O)c1ccc([C@@H]2C[C@H]3CN(Cc4cccc(OC)c4)C(=O)[C@]34CCC[N@@H+]24)cc1 ZINC000014968564 558686583 /nfs/dbraw/zinc/68/65/83/558686583.db2.gz OROIRTDEIUFPBO-XTJBDQBJSA-N 1 1 420.509 3.420 50 0 HGAAMO CCc1ccc(C[N@@H+]2CCc3nnc(CCNC(=O)c4ccc(C)cc4)n3CC2)cc1 ZINC000014993972 558695511 /nfs/dbraw/zinc/69/55/11/558695511.db2.gz UWQIFWMUCCGNDE-UHFFFAOYSA-N 1 1 417.557 3.180 50 0 HGAAMO C[C@H](CNC(=O)CC[N@H+]1Cc2cc(Cl)ccc2O[C@H](C)C1)Oc1cccnc1 ZINC000015005478 558699074 /nfs/dbraw/zinc/69/90/74/558699074.db2.gz LCJJXAOQEGOAQA-HZPDHXFCSA-N 1 1 403.910 3.292 50 0 HGAAMO C[C@H](CNC(=O)CC[N@@H+]1Cc2cc(Cl)ccc2O[C@H](C)C1)Oc1cccnc1 ZINC000015005478 558699077 /nfs/dbraw/zinc/69/90/77/558699077.db2.gz LCJJXAOQEGOAQA-HZPDHXFCSA-N 1 1 403.910 3.292 50 0 HGAAMO Cc1cc(C(=O)N2CCC[C@@H]([NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)n[nH]1 ZINC000015064961 558707803 /nfs/dbraw/zinc/70/78/03/558707803.db2.gz YNVNVXZNRZSITG-GOSISDBHSA-N 1 1 421.467 3.164 50 0 HGAAMO COc1cc(Cl)c(C[N@H+]2CCC[C@@H](CCC(=O)N3CCOCC3)C2)cc1OC ZINC000015070774 558712577 /nfs/dbraw/zinc/71/25/77/558712577.db2.gz DVYJVDIJGUOFMH-INIZCTEOSA-N 1 1 410.942 3.208 50 0 HGAAMO O=C(NC[C@H]([C@H]1CCOC1)[NH+]1CCOCC1)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000029733919 558719455 /nfs/dbraw/zinc/71/94/55/558719455.db2.gz MHCGKCBYLOCQDA-KMDXXIMOSA-N 1 1 423.557 3.007 50 0 HGAAMO C[C@@H](NC(=O)Cc1cccc2ccccc21)C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000030029400 558726424 /nfs/dbraw/zinc/72/64/24/558726424.db2.gz CZHMCTYIYXQCGY-NTKDMRAZSA-N 1 1 415.537 3.402 50 0 HGAAMO C[C@@H](NC(=O)Cc1cccc2ccccc21)C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000030029400 558726427 /nfs/dbraw/zinc/72/64/27/558726427.db2.gz CZHMCTYIYXQCGY-NTKDMRAZSA-N 1 1 415.537 3.402 50 0 HGAAMO CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000030363056 558729271 /nfs/dbraw/zinc/72/92/71/558729271.db2.gz PVELFWISLGOPJC-OAQYLSRUSA-N 1 1 413.949 3.269 50 0 HGAAMO Cc1nc2nc(-c3ccc(C(C)(C)C)cc3)nn2c(C)c1CC(=O)N1CC[NH+](C)CC1 ZINC000035477092 558792622 /nfs/dbraw/zinc/79/26/22/558792622.db2.gz VUWICNHTCQXEQW-UHFFFAOYSA-N 1 1 420.561 3.022 50 0 HGAAMO C[C@@H]1C[N@H+](CCC(=O)NC[C@@H](c2cccnc2)N2CCCCC2)Cc2ccccc2O1 ZINC000039354752 558820156 /nfs/dbraw/zinc/82/01/56/558820156.db2.gz FGSJMNRARDTAIL-OFNKIYASSA-N 1 1 422.573 3.398 50 0 HGAAMO C[C@@H]1C[N@@H+](CCC(=O)NC[C@@H](c2cccnc2)N2CCCCC2)Cc2ccccc2O1 ZINC000039354752 558820158 /nfs/dbraw/zinc/82/01/58/558820158.db2.gz FGSJMNRARDTAIL-OFNKIYASSA-N 1 1 422.573 3.398 50 0 HGAAMO CCC(=O)[C@H]1CCCN(C(=O)CC[N@@H+]2Cc3cc(OC)ccc3O[C@H](CC)C2)C1 ZINC000039356638 558820164 /nfs/dbraw/zinc/82/01/64/558820164.db2.gz RQPWPQYXTUEVJW-PKOBYXMFSA-N 1 1 402.535 3.276 50 0 HGAAMO CCC(=O)[C@H]1CCCN(C(=O)CC[N@H+]2Cc3cc(OC)ccc3O[C@H](CC)C2)C1 ZINC000039356638 558820166 /nfs/dbraw/zinc/82/01/66/558820166.db2.gz RQPWPQYXTUEVJW-PKOBYXMFSA-N 1 1 402.535 3.276 50 0 HGAAMO COc1cc(Cl)cc(CN2CC[N@H+](Cc3cccs3)[C@H](CCO)C2)c1OC ZINC000039447944 558821562 /nfs/dbraw/zinc/82/15/62/558821562.db2.gz WOPDDJFGNYICDY-QGZVFWFLSA-N 1 1 410.967 3.488 50 0 HGAAMO COc1cc(Cl)cc(CN2CC[N@@H+](Cc3cccs3)[C@H](CCO)C2)c1OC ZINC000039447944 558821565 /nfs/dbraw/zinc/82/15/65/558821565.db2.gz WOPDDJFGNYICDY-QGZVFWFLSA-N 1 1 410.967 3.488 50 0 HGAAMO Cc1cc(C)c(C[N@@H+]2CCc3nnc([C@H](C)NC(=O)c4ccco4)n3CC2)cc1C ZINC000019225045 558852569 /nfs/dbraw/zinc/85/25/69/558852569.db2.gz ORXZERWSJWWWKB-SFHVURJKSA-N 1 1 407.518 3.346 50 0 HGAAMO Cc1ccc(OCc2cc(C(=O)N(C)CCCC[NH+]3CCOCC3)no2)cc1C ZINC000019224886 558852610 /nfs/dbraw/zinc/85/26/10/558852610.db2.gz GKAUNNPUDMVKHO-UHFFFAOYSA-N 1 1 401.507 3.055 50 0 HGAAMO OCC[C@@H]1CN(Cc2cnn(-c3cccc(F)c3)c2)CC[N@@H+]1Cc1cccs1 ZINC000019299931 558866313 /nfs/dbraw/zinc/86/63/13/558866313.db2.gz QCPOLTIVSDRQDB-HXUWFJFHSA-N 1 1 400.523 3.142 50 0 HGAAMO OCC[C@@H]1CN(Cc2cnn(-c3cccc(F)c3)c2)CC[N@H+]1Cc1cccs1 ZINC000019299931 558866317 /nfs/dbraw/zinc/86/63/17/558866317.db2.gz QCPOLTIVSDRQDB-HXUWFJFHSA-N 1 1 400.523 3.142 50 0 HGAAMO COc1cc(Cl)cc(CN2CC[N@@H+](Cc3ccccc3)[C@@H](CCO)C2)c1OC ZINC000019300771 558866576 /nfs/dbraw/zinc/86/65/76/558866576.db2.gz FUKBEBOSYDHBLT-FQEVSTJZSA-N 1 1 404.938 3.426 50 0 HGAAMO O[C@H](COc1ccc2ccccc2c1)C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019367377 558877024 /nfs/dbraw/zinc/87/70/24/558877024.db2.gz SRLSGOKXOOXOCE-QFIPXVFZSA-N 1 1 420.509 3.126 50 0 HGAAMO COc1ccc(CC[N@H+]2CCC[C@H](CN(C)Cc3ccccc3OCCO)C2)cc1 ZINC000055271059 558878195 /nfs/dbraw/zinc/87/81/95/558878195.db2.gz UCSATZJODPQPHG-JOCHJYFZSA-N 1 1 412.574 3.453 50 0 HGAAMO CCc1nc2cccnc2n1CC[NH+]1CCN(C(=O)Nc2cc(C)ccc2OC)CC1 ZINC000033139830 558891673 /nfs/dbraw/zinc/89/16/73/558891673.db2.gz HBGVBEHDXVNITL-UHFFFAOYSA-N 1 1 422.533 3.160 50 0 HGAAMO CCC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCCC2)c1 ZINC000058062862 558897565 /nfs/dbraw/zinc/89/75/65/558897565.db2.gz LJRWWZRLFBJOTH-GOSISDBHSA-N 1 1 423.579 3.073 50 0 HGAAMO COCCOc1ccc([C@@H](C)NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)cc1OC ZINC000058178225 558909847 /nfs/dbraw/zinc/90/98/47/558909847.db2.gz KUQMLHHSCXXRLO-QGZVFWFLSA-N 1 1 407.555 3.297 50 0 HGAAMO C[N@H+]1CCCN(c2ccc(CNC(=O)c3occc3COc3ccccc3)cn2)CC1 ZINC000058194910 558910747 /nfs/dbraw/zinc/91/07/47/558910747.db2.gz AORMWXWZWDWJFL-UHFFFAOYSA-N 1 1 420.513 3.326 50 0 HGAAMO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1nnc(C(=O)Nc2cccc(Cl)c2)s1 ZINC000033060347 558954846 /nfs/dbraw/zinc/95/48/46/558954846.db2.gz FXVGIJXRKWVMLM-LBPRGKRZSA-N 1 1 407.927 3.048 50 0 HGAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1nnc(C(=O)Nc2cccc(Cl)c2)s1 ZINC000033060347 558954848 /nfs/dbraw/zinc/95/48/48/558954848.db2.gz FXVGIJXRKWVMLM-LBPRGKRZSA-N 1 1 407.927 3.048 50 0 HGAAMO Cc1ccc(NC(=O)c2nnc(CCC(=O)NCC[N@@H+]3CCCC[C@H]3C)s2)cc1 ZINC000033062070 558955900 /nfs/dbraw/zinc/95/59/00/558955900.db2.gz IXMWZKSQIYXKSN-MRXNPFEDSA-N 1 1 415.563 3.022 50 0 HGAAMO C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000022056397 558986115 /nfs/dbraw/zinc/98/61/15/558986115.db2.gz NHDGPRQUKLTQJY-OFNKIYASSA-N 1 1 407.558 3.077 50 0 HGAAMO C[C@@H](C(=O)N1CCc2ccccc21)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000096833077 558993759 /nfs/dbraw/zinc/99/37/59/558993759.db2.gz OCCLHIUWMNENCP-SFHVURJKSA-N 1 1 413.949 3.314 50 0 HGAAMO COCC[N@@H+](C)CC[C@@H](NC(=O)C(=O)Nc1ccc(C)cc1Cl)c1ccccc1 ZINC000078751633 559014528 /nfs/dbraw/zinc/01/45/28/559014528.db2.gz IWWJGPKCTQLLAA-LJQANCHMSA-N 1 1 417.937 3.413 50 0 HGAAMO Cc1cccc(CN2CCC([N@H+]3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)c1 ZINC000082098514 559037896 /nfs/dbraw/zinc/03/78/96/559037896.db2.gz WNXNWELRYVHXBL-JOCHJYFZSA-N 1 1 406.574 3.383 50 0 HGAAMO Cc1ccc(CN2CCC([N@H+]3CCC[C@H](C(=O)NCc4cccnc4)C3)CC2)cc1 ZINC000082100114 559038122 /nfs/dbraw/zinc/03/81/22/559038122.db2.gz VEQLLUODZHOGEH-QHCPKHFHSA-N 1 1 406.574 3.383 50 0 HGAAMO O=C(NCc1cccnc1)[C@@H]1CCC[N@H+](C2CCN(c3ncccc3Cl)CC2)C1 ZINC000082125994 559039816 /nfs/dbraw/zinc/03/98/16/559039816.db2.gz NSCGFTQPUIVKJC-GOSISDBHSA-N 1 1 413.953 3.127 50 0 HGAAMO CCN(CCOC)C(=O)[C@@H]1CCC[N@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000082146976 559040843 /nfs/dbraw/zinc/04/08/43/559040843.db2.gz CTXJOOMOTSGYJF-GOSISDBHSA-N 1 1 414.550 3.004 50 0 HGAAMO COC1CCN(C(=O)[C@H]2CCC[N@H+](C3CCN(CCc4ccccc4)CC3)C2)CC1 ZINC000082155915 559041427 /nfs/dbraw/zinc/04/14/27/559041427.db2.gz JCLQTTLFLWFVIG-QFIPXVFZSA-N 1 1 413.606 3.043 50 0 HGAAMO Cc1nc2cc(OCc3nc(C(=O)NC[C@]4(C)CC[N@H+](C)C4)co3)ccc2s1 ZINC000091350836 559071246 /nfs/dbraw/zinc/07/12/46/559071246.db2.gz GMDWMXRQZURXTC-FQEVSTJZSA-N 1 1 400.504 3.243 50 0 HGAAMO Cc1cc(C(=O)N(CC[NH+](C)C)C[C@H]2CCCN(Cc3ccccc3F)C2)no1 ZINC000095499326 559081875 /nfs/dbraw/zinc/08/18/75/559081875.db2.gz AKERWWZCFFKRSJ-SFHVURJKSA-N 1 1 402.514 3.038 50 0 HGAAMO O=C(C1CC1)N1CCc2nc[nH]c2C12CC[NH+](Cc1ccc3ccccc3n1)CC2 ZINC000095501840 559082460 /nfs/dbraw/zinc/08/24/60/559082460.db2.gz UZKAWFLPQCAMTR-UHFFFAOYSA-N 1 1 401.514 3.244 50 0 HGAAMO Cc1n[nH]cc1CN(C)Cc1cccc(OC[C@H](O)C[N@H+](C)C2CCCCC2)c1 ZINC000095520892 559085335 /nfs/dbraw/zinc/08/53/35/559085335.db2.gz YKELGZBZZMLRNF-JOCHJYFZSA-N 1 1 400.567 3.354 50 0 HGAAMO Cc1n[nH]cc1CN(C)Cc1cccc(OC[C@H](O)C[N@@H+](C)C2CCCCC2)c1 ZINC000095520892 559085337 /nfs/dbraw/zinc/08/53/37/559085337.db2.gz YKELGZBZZMLRNF-JOCHJYFZSA-N 1 1 400.567 3.354 50 0 HGAAMO C[NH+](C)Cc1cc(NC(=O)[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)ccn1 ZINC000408518011 559213019 /nfs/dbraw/zinc/21/30/19/559213019.db2.gz RPOOTBFHYSTGRY-LBPRGKRZSA-N 1 1 407.301 3.442 50 0 HGAAMO Cc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCCC[N@@H+]2CCC[C@H](C)C2)o1 ZINC000005042768 559236104 /nfs/dbraw/zinc/23/61/04/559236104.db2.gz OTKOUSRRUMNYLV-KRWDZBQOSA-N 1 1 418.559 3.414 50 0 HGAAMO CCOc1ccc(C(=O)N[C@@H](C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)C(C)C)cc1 ZINC000248102162 559263391 /nfs/dbraw/zinc/26/33/91/559263391.db2.gz FEZUYQWDYWVXPC-XZOQPEGZSA-N 1 1 423.557 3.355 50 0 HGAAMO CCOc1ccc(C(=O)N[C@@H](C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)C(C)C)cc1 ZINC000248102162 559263392 /nfs/dbraw/zinc/26/33/92/559263392.db2.gz FEZUYQWDYWVXPC-XZOQPEGZSA-N 1 1 423.557 3.355 50 0 HGAAMO CC1=C2C[C@H]3[C@H](C[NH+]4CCN(C(=O)c5ccco5)CC4)C(=O)O[C@H]3C[C@]2(C)CCC1 ZINC000248339900 559271099 /nfs/dbraw/zinc/27/10/99/559271099.db2.gz UFAAOAUAAMIQQW-RWTJRTBCSA-N 1 1 412.530 3.496 50 0 HGAAMO C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000102462315 560811723 /nfs/dbraw/zinc/81/17/23/560811723.db2.gz RGMFWZJLWGHHAD-GUDVDZBRSA-N 1 1 419.591 3.310 50 0 HGAAMO COCC(=O)N[C@@H](C)[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccc(C)cc1 ZINC000103051877 560837064 /nfs/dbraw/zinc/83/70/64/560837064.db2.gz NWAPJTJVQBKXCT-BXKMTCNYSA-N 1 1 412.530 3.263 50 0 HGAAMO COCC(=O)N[C@@H](C)[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccc(C)cc1 ZINC000103051877 560837066 /nfs/dbraw/zinc/83/70/66/560837066.db2.gz NWAPJTJVQBKXCT-BXKMTCNYSA-N 1 1 412.530 3.263 50 0 HGAAMO CCN([C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc2c(c1)C(=O)OC2 ZINC000048235341 568432830 /nfs/dbraw/zinc/43/28/30/568432830.db2.gz ZRNZAWGGLVDCSL-QFBILLFUSA-N 1 1 414.527 3.203 50 0 HGAAMO O=C(NC[C@@H]([C@@H]1CCOC1)[NH+]1CCOCC1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000048287089 568434544 /nfs/dbraw/zinc/43/45/44/568434544.db2.gz XUHRLTPEVOGWRX-WBMJQRKESA-N 1 1 421.847 3.218 50 0 HGAAMO O=C(NC[C@@H]([C@H]1CCOC1)[NH+]1CCOCC1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000048287093 568434566 /nfs/dbraw/zinc/43/45/66/568434566.db2.gz XUHRLTPEVOGWRX-LRDDRELGSA-N 1 1 421.847 3.218 50 0 HGAAMO C[NH+](C)[C@H](CNS(=O)(=O)c1ccccc1OC(F)(F)F)c1cccc(F)c1 ZINC000048314952 568438050 /nfs/dbraw/zinc/43/80/50/568438050.db2.gz ICMRNXCOUQZEOQ-CQSZACIVSA-N 1 1 406.401 3.306 50 0 HGAAMO C[C@H]1C[C@H](C)C[NH+](Cc2csc(NC(=O)CCCNC(=O)c3ccco3)n2)C1 ZINC000022294531 568479223 /nfs/dbraw/zinc/47/92/23/568479223.db2.gz JPOBYTVXPVXZFD-GJZGRUSLSA-N 1 1 404.536 3.363 50 0 HGAAMO CCN(CC)C(=O)c1cccc(NC(=O)CN2CC[NH+](Cc3cccc(C)c3)CC2)c1 ZINC000022776140 568499421 /nfs/dbraw/zinc/49/94/21/568499421.db2.gz YVAONHOFDBSUPP-UHFFFAOYSA-N 1 1 422.573 3.233 50 0 HGAAMO CN1CC[NH+](CCCNC(=O)c2cc3c(s2)c2ccccc2nc3Cl)CC1 ZINC000020286134 568597028 /nfs/dbraw/zinc/59/70/28/568597028.db2.gz IBFAIVSQYKGKCQ-UHFFFAOYSA-N 1 1 402.951 3.470 50 0 HGAAMO CC[NH+]1CCN([C@@H](c2cccs2)[C@@H](C)NC(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000020288079 568597444 /nfs/dbraw/zinc/59/74/44/568597444.db2.gz JLMDVKXRPNVNLO-IIBYNOLFSA-N 1 1 417.575 3.262 50 0 HGAAMO O=C(CCCn1nc(-c2ccccc2)c2ccccc21)NCCC[NH+]1CCOCC1 ZINC000020355693 568600072 /nfs/dbraw/zinc/60/00/72/568600072.db2.gz JANZMPQNNPOXKO-UHFFFAOYSA-N 1 1 406.530 3.322 50 0 HGAAMO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)N2CC[NH+](C)CC2)[C@H]1c1cccs1 ZINC000020508292 568620214 /nfs/dbraw/zinc/62/02/14/568620214.db2.gz RKGILORZWVCPSG-LEWJYISDSA-N 1 1 411.571 3.459 50 0 HGAAMO COc1cc2c(cc1OC)C(=O)[C@@H]([C@H]1c3c(cc4c(c3OC)OCO4)CC[N@H+]1C)C2 ZINC000020759380 568641889 /nfs/dbraw/zinc/64/18/89/568641889.db2.gz RJQXXRSHMDJYGT-QRWLVFNGSA-N 1 1 411.454 3.025 50 0 biogenic HGAAMO COc1cc2c(cc1OC)C(=O)[C@@H]([C@H]1c3c(cc4c(c3OC)OCO4)CC[N@@H+]1C)C2 ZINC000020759380 568641891 /nfs/dbraw/zinc/64/18/91/568641891.db2.gz RJQXXRSHMDJYGT-QRWLVFNGSA-N 1 1 411.454 3.025 50 0 biogenic HGAAMO CCOc1ccc(-c2cc(NC(=O)CCc3nc(C4=CC[N@@H+](C)CC4)no3)on2)cc1 ZINC000020901801 568650114 /nfs/dbraw/zinc/65/01/14/568650114.db2.gz GJHIRLDIZMGYBP-UHFFFAOYSA-N 1 1 423.473 3.414 50 0 HGAAMO Cc1cccc(-c2nn(Cc3ccccc3)cc2C[N@@H+]2CCC[C@@H](S(N)(=O)=O)C2)c1 ZINC000095940871 568661861 /nfs/dbraw/zinc/66/18/61/568661861.db2.gz CCDSPODTESIAGT-JOCHJYFZSA-N 1 1 424.570 3.160 50 0 HGAAMO Cc1cccc(-c2nn(Cc3ccccc3)cc2C[N@H+]2CCC[C@@H](S(N)(=O)=O)C2)c1 ZINC000095940871 568661864 /nfs/dbraw/zinc/66/18/64/568661864.db2.gz CCDSPODTESIAGT-JOCHJYFZSA-N 1 1 424.570 3.160 50 0 HGAAMO O=S(=O)(c1ccc(Br)cc1)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000030383352 568675450 /nfs/dbraw/zinc/67/54/50/568675450.db2.gz AMTJOPKYOMOMHH-UHFFFAOYSA-N 1 1 415.378 3.407 50 0 HGAAMO O=S(=O)(c1ccc(Br)cc1)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000030383352 568675452 /nfs/dbraw/zinc/67/54/52/568675452.db2.gz AMTJOPKYOMOMHH-UHFFFAOYSA-N 1 1 415.378 3.407 50 0 HGAAMO Cc1nc2n(c1C[NH+]1CCN(c3cc(C)nc(-c4cccnc4)n3)CC1)CCCC2 ZINC000095997005 568679120 /nfs/dbraw/zinc/67/91/20/568679120.db2.gz BDBRCNJQTLBVFG-UHFFFAOYSA-N 1 1 403.534 3.010 50 0 HGAAMO CN1C(=O)CC[C@@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@H]1c1ccc(F)cc1 ZINC000096182564 568702798 /nfs/dbraw/zinc/70/27/98/568702798.db2.gz JVEWLUBLUCCFAF-FYYLOGMGSA-N 1 1 409.505 3.080 50 0 HGAAMO CC[NH+]1CCN(C(=O)CSCc2nc3cccnc3n2C2CCCCC2)CC1 ZINC000021650945 568729153 /nfs/dbraw/zinc/72/91/53/568729153.db2.gz ZNODVCNJMXCYBS-UHFFFAOYSA-N 1 1 401.580 3.334 50 0 HGAAMO Cc1cccc(-n2c(CC(=O)NCC[N@@H+]3CCCC[C@@H]3C)c3[nH]cccc-3c2=O)c1 ZINC000096387072 568743859 /nfs/dbraw/zinc/74/38/59/568743859.db2.gz FQVWUWPKZYEKMO-GHTZIAJQSA-N 1 1 406.530 3.472 50 0 HGAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)c2ccc(OC)c(F)c2)CC1 ZINC000012459838 568756616 /nfs/dbraw/zinc/75/66/16/568756616.db2.gz MKPZLRODPJCRMM-LJQANCHMSA-N 1 1 419.541 3.067 50 0 HGAAMO O=C(c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000002486600 568775272 /nfs/dbraw/zinc/77/52/72/568775272.db2.gz YDPRVLBFSLWEOG-GFCCVEGCSA-N 1 1 421.448 3.397 50 0 HGAAMO CC[N@@H+](CC(=O)NCc1ccc(F)cc1)C[C@@H](O)COc1ccccc1C(C)C ZINC000002641610 568793838 /nfs/dbraw/zinc/79/38/38/568793838.db2.gz AWEZXIWWULFRIG-HXUWFJFHSA-N 1 1 402.510 3.327 50 0 HGAAMO CC[N@H+](CC(=O)NCc1ccc(F)cc1)C[C@@H](O)COc1ccccc1C(C)C ZINC000002641610 568793840 /nfs/dbraw/zinc/79/38/40/568793840.db2.gz AWEZXIWWULFRIG-HXUWFJFHSA-N 1 1 402.510 3.327 50 0 HGAAMO CCCOc1cc([C@H]2NC(=[NH2+])Nc3nc4cc5c(cc4n32)OCCCO5)ccc1OC ZINC000012506563 568839492 /nfs/dbraw/zinc/83/94/92/568839492.db2.gz QYDVWMYWXCNIBC-FQEVSTJZSA-N 1 1 423.473 3.091 50 0 HGAAMO CCOC(=O)C1=C(C[N@H+](CC)Cc2ccccc2)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000057478328 568839801 /nfs/dbraw/zinc/83/98/01/568839801.db2.gz RUTTZCABZYUCRO-QFIPXVFZSA-N 1 1 423.513 3.388 50 0 HGAAMO CCOC(=O)C1=C(C[N@@H+](CC)Cc2ccccc2)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000057478328 568839802 /nfs/dbraw/zinc/83/98/02/568839802.db2.gz RUTTZCABZYUCRO-QFIPXVFZSA-N 1 1 423.513 3.388 50 0 HGAAMO CCOC(=O)C1C(C[N@H+](CC)Cc2ccccc2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000057478328 568839804 /nfs/dbraw/zinc/83/98/04/568839804.db2.gz RUTTZCABZYUCRO-QFIPXVFZSA-N 1 1 423.513 3.388 50 0 HGAAMO CCOC(=O)C1C(C[N@@H+](CC)Cc2ccccc2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000057478328 568839805 /nfs/dbraw/zinc/83/98/05/568839805.db2.gz RUTTZCABZYUCRO-QFIPXVFZSA-N 1 1 423.513 3.388 50 0 HGAAMO CCCCNC(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000503984112 568862003 /nfs/dbraw/zinc/86/20/03/568862003.db2.gz ZGZBWUSZKAEWNH-OFAXGOBFSA-N 1 1 404.551 3.288 50 0 biogenic HGAAMO CCCCNC(=O)C[N@H+]1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000503984112 568862004 /nfs/dbraw/zinc/86/20/04/568862004.db2.gz ZGZBWUSZKAEWNH-OFAXGOBFSA-N 1 1 404.551 3.288 50 0 biogenic HGAAMO O=C(NCc1cccnc1)[C@H]1CC12CC[NH+](Cc1cc3c(cc1Cl)OCO3)CC2 ZINC000299790189 568875847 /nfs/dbraw/zinc/87/58/47/568875847.db2.gz ARZHHEAFQCYMNF-QGZVFWFLSA-N 1 1 413.905 3.382 50 0 HGAAMO Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000012745093 568930992 /nfs/dbraw/zinc/93/09/92/568930992.db2.gz CGYFITPJDYGDAB-UHFFFAOYSA-N 1 1 404.514 3.300 50 0 HGAAMO CC[C@H](NC(=O)c1ccc2c(c1)nc(C)n2C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000084727085 568957278 /nfs/dbraw/zinc/95/72/78/568957278.db2.gz KVDNYOUQVVIMOU-REWPJTCUSA-N 1 1 406.530 3.291 50 0 HGAAMO CC[C@H](NC(=O)c1ccc2c(c1)nc(C)n2C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000084727085 568957279 /nfs/dbraw/zinc/95/72/79/568957279.db2.gz KVDNYOUQVVIMOU-REWPJTCUSA-N 1 1 406.530 3.291 50 0 HGAAMO C[C@@H]1C[C@H](C)C[N@@H+](Cc2csc(NC(=O)CNC(=O)c3ccc(F)cc3)n2)C1 ZINC000012783533 568959063 /nfs/dbraw/zinc/95/90/63/568959063.db2.gz GTMFEWMMAKUFHE-OKILXGFUSA-N 1 1 404.511 3.129 50 0 HGAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2csc(NC(=O)CNC(=O)c3ccc(F)cc3)n2)C1 ZINC000012783533 568959066 /nfs/dbraw/zinc/95/90/66/568959066.db2.gz GTMFEWMMAKUFHE-OKILXGFUSA-N 1 1 404.511 3.129 50 0 HGAAMO C[N@@H+](CC(=O)NCC(=O)Nc1ccc(F)c(F)c1F)[C@@H]1CCCc2ccccc21 ZINC000007988707 568966007 /nfs/dbraw/zinc/96/60/07/568966007.db2.gz HCVGNTXMOZHHAD-QGZVFWFLSA-N 1 1 405.420 3.168 50 0 HGAAMO C[N@H+](CC(=O)Nc1ccc(N2CCCC2=O)cc1)Cc1ccccc1N1CCCC1 ZINC000008157018 568978347 /nfs/dbraw/zinc/97/83/47/568978347.db2.gz WOESREFOHGDLHP-UHFFFAOYSA-N 1 1 406.530 3.484 50 0 HGAAMO C[N@@H+](CC(=O)Nc1ccc(N2CCCC2=O)cc1)Cc1ccccc1N1CCCC1 ZINC000008157018 568978350 /nfs/dbraw/zinc/97/83/50/568978350.db2.gz WOESREFOHGDLHP-UHFFFAOYSA-N 1 1 406.530 3.484 50 0 HGAAMO CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cc2[nH]c3c(c2cc1C)C(=O)CC(C)(C)C3 ZINC000015733756 568983253 /nfs/dbraw/zinc/98/32/53/568983253.db2.gz QSDPKKXFFCGIRV-HNNXBMFYSA-N 1 1 417.575 3.394 50 0 HGAAMO COc1ccc(Nc2nc(C(=O)NCCC[NH+]3CCOCC3)cc3occc32)cc1 ZINC000085651120 569005866 /nfs/dbraw/zinc/00/58/66/569005866.db2.gz KAPWQSDSZUOKLY-UHFFFAOYSA-N 1 1 410.474 3.032 50 0 HGAAMO CCOc1ccccc1C[N@@H+]1CCN(Cc2cccc(OC)c2OC)C[C@H]1CCO ZINC000104365751 569008481 /nfs/dbraw/zinc/00/84/81/569008481.db2.gz VFNLBKKLXIXSEV-OAQYLSRUSA-N 1 1 414.546 3.171 50 0 HGAAMO CCOc1ccccc1C[N@H+]1CCN(Cc2cccc(OC)c2OC)C[C@H]1CCO ZINC000104365751 569008482 /nfs/dbraw/zinc/00/84/82/569008482.db2.gz VFNLBKKLXIXSEV-OAQYLSRUSA-N 1 1 414.546 3.171 50 0 HGAAMO CCOc1ccccc1CN1CC[N@@H+](Cc2cccc(-n3cccn3)c2)C[C@H]1CCO ZINC000104380751 569008558 /nfs/dbraw/zinc/00/85/58/569008558.db2.gz IRFVBAPTDHWPCZ-XMMPIXPASA-N 1 1 420.557 3.340 50 0 HGAAMO CC[NH+]1CCN(c2nccn3nc(-c4ccc(Br)cc4)c(C=O)c23)CC1 ZINC000015829454 569011800 /nfs/dbraw/zinc/01/18/00/569011800.db2.gz LNXMAFPWSGRMJW-UHFFFAOYSA-N 1 1 414.307 3.113 50 0 HGAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)CCC(=O)N1C[C@@H](C)Oc2ccccc21 ZINC000015942062 569024195 /nfs/dbraw/zinc/02/41/95/569024195.db2.gz NTEYKFUGBCPPGP-MOPGFXCFSA-N 1 1 401.551 3.352 50 0 HGAAMO COC(=O)c1ccc(S(=O)(=O)NC[C@H](c2csc3ccccc32)[NH+](C)C)cc1 ZINC000575618746 569038055 /nfs/dbraw/zinc/03/80/55/569038055.db2.gz CBCRWYWSEYWYPG-GOSISDBHSA-N 1 1 418.540 3.269 50 0 HGAAMO CCCCCNC(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1ccc(O)c(OC)c1 ZINC000248237315 569051287 /nfs/dbraw/zinc/05/12/87/569051287.db2.gz COYIMEITIZUVMK-OFAXGOBFSA-N 1 1 404.551 3.375 50 0 biogenic HGAAMO CCCCCNC(=O)C[N@H+]1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1ccc(O)c(OC)c1 ZINC000248237315 569051288 /nfs/dbraw/zinc/05/12/88/569051288.db2.gz COYIMEITIZUVMK-OFAXGOBFSA-N 1 1 404.551 3.375 50 0 biogenic HGAAMO CCS(=O)(=O)c1ccc(NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000462257835 569052906 /nfs/dbraw/zinc/05/29/06/569052906.db2.gz JPYYPXAXVLDHOX-UZLBHIALSA-N 1 1 401.532 3.122 50 0 HGAAMO COc1ccc([C@H](CNS(=O)(=O)c2cccc(Br)c2)[NH+](C)C)cc1 ZINC000006650153 569080541 /nfs/dbraw/zinc/08/05/41/569080541.db2.gz QQNPPTQBJXAKSF-KRWDZBQOSA-N 1 1 413.337 3.039 50 0 HGAAMO COc1cccc(CN2CCC[C@]3(CC[N@@H+](Cc4[nH]cc(C)c(=O)c4C)C3)C2=O)c1 ZINC000426442866 569073029 /nfs/dbraw/zinc/07/30/29/569073029.db2.gz HUTRPCBUPCJUPR-XMMPIXPASA-N 1 1 409.530 3.015 50 0 HGAAMO Cc1noc(C)c1CN1CCc2c(C(=O)NCC[C@H]3CCC[N@@H+]3C)csc2C1 ZINC000426691370 569073949 /nfs/dbraw/zinc/07/39/49/569073949.db2.gz YIBZPXQYWIQGBJ-MRXNPFEDSA-N 1 1 402.564 3.125 50 0 HGAAMO CC(C)COC[C@@H](O)C[N@@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)CC(C)C ZINC000036156544 569101663 /nfs/dbraw/zinc/10/16/63/569101663.db2.gz SPVWJFKNMSUSIS-INIZCTEOSA-N 1 1 421.607 3.355 50 0 HGAAMO CC(C)COC[C@@H](O)C[N@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)CC(C)C ZINC000036156544 569101664 /nfs/dbraw/zinc/10/16/64/569101664.db2.gz SPVWJFKNMSUSIS-INIZCTEOSA-N 1 1 421.607 3.355 50 0 HGAAMO CC(C)(C)CC(=O)N1CC[NH+]([C@H](C(=O)NCCc2ccccc2)C2CCCC2)CC1 ZINC000036252953 569119878 /nfs/dbraw/zinc/11/98/78/569119878.db2.gz TXGBRXKIKSTPOI-QHCPKHFHSA-N 1 1 413.606 3.485 50 0 HGAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)c2ccc(Cl)c(-n3nnc4cccnc43)c2)C1 ZINC000064925513 569122836 /nfs/dbraw/zinc/12/28/36/569122836.db2.gz SXOQGSCBANSNLS-OAHLLOKOSA-N 1 1 412.925 3.321 50 0 HGAAMO C[N@@H+](CCCNC(=O)CCCn1c(=O)c2cccn2c2cccnc21)C1CCCCC1 ZINC000006797603 569125303 /nfs/dbraw/zinc/12/53/03/569125303.db2.gz OHPLCROIROOOHX-UHFFFAOYSA-N 1 1 423.561 3.200 50 0 HGAAMO CCNC(=O)[C@@H]1Cc2ccc(OC)cc2N2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]12 ZINC000169679991 569126727 /nfs/dbraw/zinc/12/67/27/569126727.db2.gz XZKSEUOVYCDAFR-IRLDBZIGSA-N 1 1 413.949 3.348 50 0 HGAAMO CCCN(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)C(=O)C1CC1 ZINC000036312198 569132767 /nfs/dbraw/zinc/13/27/67/569132767.db2.gz ILRZIWYBFDJSNN-UHFFFAOYSA-N 1 1 400.498 3.381 50 0 HGAAMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Cn3cccc(C(F)(F)F)c3=O)cc2)C1 ZINC000036390721 569166064 /nfs/dbraw/zinc/16/60/64/569166064.db2.gz RBHHMAKSCQBDPW-INIZCTEOSA-N 1 1 421.463 3.415 50 0 HGAAMO COc1ccc(-c2noc(C3CC[NH+](CC(=O)NCc4ccccc4)CC3)n2)cc1 ZINC000065184241 569191416 /nfs/dbraw/zinc/19/14/16/569191416.db2.gz GZZOLCNWSWRERP-UHFFFAOYSA-N 1 1 406.486 3.241 50 0 HGAAMO CC1CC[NH+](Cc2csc(N3CCN(C(=O)c4ccccc4F)CC3)n2)CC1 ZINC000065200238 569193687 /nfs/dbraw/zinc/19/36/87/569193687.db2.gz XZWOCEAWYRMYNC-UHFFFAOYSA-N 1 1 402.539 3.477 50 0 HGAAMO Cc1oc2c(c1C(=O)N(C)CC(=O)N1CCCC1)C[N@H+](Cc1ccc(C)cc1)CC2 ZINC000065289704 569218040 /nfs/dbraw/zinc/21/80/40/569218040.db2.gz RPVOTDYCQDAKDH-UHFFFAOYSA-N 1 1 409.530 3.149 50 0 HGAAMO Cc1oc2c(c1C(=O)N(C)CC(=O)N1CCCC1)C[N@@H+](Cc1ccc(C)cc1)CC2 ZINC000065289704 569218042 /nfs/dbraw/zinc/21/80/42/569218042.db2.gz RPVOTDYCQDAKDH-UHFFFAOYSA-N 1 1 409.530 3.149 50 0 HGAAMO COCC[N@H+]1CC[C@H](CNC(=O)C2(c3ccc(Br)cc3)CCCC2)C1 ZINC000065505299 569232965 /nfs/dbraw/zinc/23/29/65/569232965.db2.gz HVCHBEIWSQJAKX-MRXNPFEDSA-N 1 1 409.368 3.345 50 0 HGAAMO Cc1sc2ncnc(SCCC(=O)N3CC[N@@H+](CC(C)(C)O)[C@H](C)C3)c2c1C ZINC000170602680 569243782 /nfs/dbraw/zinc/24/37/82/569243782.db2.gz NIHGVKGJGYJEOY-CYBMUJFWSA-N 1 1 422.620 3.094 50 0 HGAAMO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000007525198 569245786 /nfs/dbraw/zinc/24/57/86/569245786.db2.gz JPPLKXBRABSHNU-OAHLLOKOSA-N 1 1 413.971 3.328 50 0 HGAAMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000007525198 569245787 /nfs/dbraw/zinc/24/57/87/569245787.db2.gz JPPLKXBRABSHNU-OAHLLOKOSA-N 1 1 413.971 3.328 50 0 HGAAMO O=C(C[NH+]1CCC(C(=O)NCc2ccccc2)CC1)Nc1cccc2ncccc21 ZINC000014074494 569258470 /nfs/dbraw/zinc/25/84/70/569258470.db2.gz ACNMHKVYZKBPSI-UHFFFAOYSA-N 1 1 402.498 3.202 50 0 HGAAMO Cc1cc(C)cc(NC(=O)C(=O)NCCCC[N@@H+]2CCO[C@H](c3ccccc3)C2)c1 ZINC000017010560 569271282 /nfs/dbraw/zinc/27/12/82/569271282.db2.gz OKDRDGXTUYZBJA-QFIPXVFZSA-N 1 1 409.530 3.212 50 0 HGAAMO Cc1cc(C)cc(NC(=O)C(=O)NCCCC[N@H+]2CCO[C@H](c3ccccc3)C2)c1 ZINC000017010560 569271283 /nfs/dbraw/zinc/27/12/83/569271283.db2.gz OKDRDGXTUYZBJA-QFIPXVFZSA-N 1 1 409.530 3.212 50 0 HGAAMO C[C@@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)[N@H+]1CCC[C@H]1c1ccsc1 ZINC000252467350 569287121 /nfs/dbraw/zinc/28/71/21/569287121.db2.gz FLAOMGQMEJREFG-AVRDEDQJSA-N 1 1 413.587 3.422 50 0 HGAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000002232308 569319937 /nfs/dbraw/zinc/31/99/37/569319937.db2.gz MLICOSSRVQCELY-FXKZBUDASA-N 1 1 421.884 3.080 50 0 HGAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000002232308 569319938 /nfs/dbraw/zinc/31/99/38/569319938.db2.gz MLICOSSRVQCELY-FXKZBUDASA-N 1 1 421.884 3.080 50 0 HGAAMO CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)C[NH+]3CCC(C)CC3)c21 ZINC000002261421 569325390 /nfs/dbraw/zinc/32/53/90/569325390.db2.gz BRNMORCPIOASLE-UHFFFAOYSA-N 1 1 401.507 3.342 50 0 HGAAMO C[C@@H]1C[N@H+](CCCCNC(=O)C2(c3ccc(Br)cc3)CC2)C[C@H](C)O1 ZINC000079050756 569425545 /nfs/dbraw/zinc/42/55/45/569425545.db2.gz KKBNLXVHYOBVHM-IYBDPMFKSA-N 1 1 409.368 3.486 50 0 HGAAMO COc1cc(OC)c2[nH]c(C)c(CN3CC[NH+](Cc4ccccc4)CC3)c(=O)c2c1 ZINC000019793369 569430027 /nfs/dbraw/zinc/43/00/27/569430027.db2.gz ZPYWOXWZDLOEMI-UHFFFAOYSA-N 1 1 407.514 3.172 50 0 HGAAMO C[C@H](NC(=O)N1CC[NH+](Cc2ccccc2)CC1)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000079482446 569431840 /nfs/dbraw/zinc/43/18/40/569431840.db2.gz ODNGJTGIQWPBRT-KRWDZBQOSA-N 1 1 405.502 3.022 50 0 HGAAMO CCOC(=O)C1=C(C[NH+]2CCC(C)CC2)NC(=O)N[C@H]1c1ccc(SC)cc1 ZINC000067286883 571064906 /nfs/dbraw/zinc/06/49/06/571064906.db2.gz XZYPSCAQJDPRRG-IBGZPJMESA-N 1 1 403.548 3.312 50 0 HGAAMO CCOC(=O)C1C(C[NH+]2CCC(C)CC2)=NC(=O)N[C@H]1c1ccc(SC)cc1 ZINC000067286883 571064907 /nfs/dbraw/zinc/06/49/07/571064907.db2.gz XZYPSCAQJDPRRG-IBGZPJMESA-N 1 1 403.548 3.312 50 0 HGAAMO FC(F)Sc1ccc(NC(=S)NC[C@@H]([C@H]2CCOC2)[NH+]2CCOCC2)cc1 ZINC000040050379 571143929 /nfs/dbraw/zinc/14/39/29/571143929.db2.gz GYHBUUZKNHNCTJ-BBRMVZONSA-N 1 1 417.547 3.025 50 0 HGAAMO O=C(CN1CCC(CCc2ccc(O)cc2)CC1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000040050463 571143987 /nfs/dbraw/zinc/14/39/87/571143987.db2.gz POKNJVITGNFJOY-XMMPIXPASA-N 1 1 421.585 3.428 50 0 HGAAMO O=C(CN1CCC(CCc2ccc(O)cc2)CC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000040050463 571143988 /nfs/dbraw/zinc/14/39/88/571143988.db2.gz POKNJVITGNFJOY-XMMPIXPASA-N 1 1 421.585 3.428 50 0 HGAAMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)C1 ZINC000040112276 571170569 /nfs/dbraw/zinc/17/05/69/571170569.db2.gz GRFSGJWVEWJYIT-INIZCTEOSA-N 1 1 405.498 3.074 50 0 HGAAMO CCOc1ccc(S(=O)(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)c2ccccc12 ZINC000245225086 571217354 /nfs/dbraw/zinc/21/73/54/571217354.db2.gz MILOXKLTTKLXKI-GOSISDBHSA-N 1 1 418.559 3.114 50 0 HGAAMO CCOc1ccc(S(=O)(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)c2ccccc12 ZINC000245225086 571217357 /nfs/dbraw/zinc/21/73/57/571217357.db2.gz MILOXKLTTKLXKI-GOSISDBHSA-N 1 1 418.559 3.114 50 0 HGAAMO COCC[N@H+]1CCc2c(cccc2-n2nnc(C(=O)NC3CCCCCC3)c2C)C1 ZINC000069815395 571245607 /nfs/dbraw/zinc/24/56/07/571245607.db2.gz DPNWSKXQWZHRKY-UHFFFAOYSA-N 1 1 411.550 3.033 50 0 HGAAMO C[C@H]1C[NH+](Cc2ccccc2CNC(=O)c2ccc(-c3ccco3)[nH]c2=O)C[C@H](C)O1 ZINC000070037800 571254824 /nfs/dbraw/zinc/25/48/24/571254824.db2.gz SRUSDMRZISTUJL-IRXDYDNUSA-N 1 1 421.497 3.174 50 0 HGAAMO CCn1cc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c(=O)c2ccc(C)nc21 ZINC000009754098 571284403 /nfs/dbraw/zinc/28/44/03/571284403.db2.gz CWESJRZHGDURIK-IBGZPJMESA-N 1 1 408.502 3.275 50 0 HGAAMO C[N@H+](CC(=O)Nc1cccc(N2CCCC2=O)c1)Cc1ccc(OC(F)F)cc1 ZINC000010140267 571295460 /nfs/dbraw/zinc/29/54/60/571295460.db2.gz LRHBQNNIJOPFBG-UHFFFAOYSA-N 1 1 403.429 3.485 50 0 HGAAMO C[N@@H+](CC(=O)Nc1cccc(N2CCCC2=O)c1)Cc1ccc(OC(F)F)cc1 ZINC000010140267 571295462 /nfs/dbraw/zinc/29/54/62/571295462.db2.gz LRHBQNNIJOPFBG-UHFFFAOYSA-N 1 1 403.429 3.485 50 0 HGAAMO Cc1cc(N(C)C)ccc1NC(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000078535151 571313434 /nfs/dbraw/zinc/31/34/34/571313434.db2.gz IKPPJGNGKKOHRP-UHFFFAOYSA-N 1 1 419.570 3.125 50 0 HGAAMO CC[C@H]1Oc2ccc(C)cc2N(CC(=O)NCCC[N@@H+]2CCCC[C@@H]2CC)C1=O ZINC000004102054 132271296 /nfs/dbraw/zinc/27/12/96/132271296.db2.gz SDAAHTTYDIXUBO-AZUAARDMSA-N 1 1 401.551 3.270 50 0 HGAAMO CCC(C)(C)c1ccc2c(c1)N(CC(=O)NCCC[N@H+]1CCCC[C@@H]1C)C(=O)CO2 ZINC000004454931 132277057 /nfs/dbraw/zinc/27/70/57/132277057.db2.gz KMTAAMURNONASN-SFHVURJKSA-N 1 1 415.578 3.480 50 0 HGAAMO Cc1ccc2c(c1)N(C(=O)CCC(=O)NCCC[N@H+]1CCc3ccccc3C1)CCO2 ZINC000006798180 132317162 /nfs/dbraw/zinc/31/71/62/132317162.db2.gz ZOIDFWBQAISPCJ-UHFFFAOYSA-N 1 1 421.541 3.065 50 0 HGAAMO C[C@H]1CN(C(=O)CCC(=O)NCCC[N@@H+](C)Cc2ccccc2)c2ccccc2O1 ZINC000006798318 132317245 /nfs/dbraw/zinc/31/72/45/132317245.db2.gz BLVYWJDVOUPWFM-IBGZPJMESA-N 1 1 409.530 3.219 50 0 HGAAMO O=C(C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)Nc1ccc(N2CCOCC2)cc1 ZINC000007620691 132325350 /nfs/dbraw/zinc/32/53/50/132325350.db2.gz DXBNAQODCIEVHO-OAQYLSRUSA-N 1 1 423.513 3.070 50 0 HGAAMO O=C(C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)Nc1ccc(N2CCOCC2)cc1 ZINC000007620691 132325351 /nfs/dbraw/zinc/32/53/51/132325351.db2.gz DXBNAQODCIEVHO-OAQYLSRUSA-N 1 1 423.513 3.070 50 0 HGAAMO FC(F)(F)c1cccc(-c2noc(CCC[NH+]3CCN(c4ncccn4)CC3)n2)c1 ZINC000012846273 132367711 /nfs/dbraw/zinc/36/77/11/132367711.db2.gz LTICQLKHOBCWTJ-UHFFFAOYSA-N 1 1 418.423 3.300 50 0 HGAAMO CCN1C[C@@H](C[N@@H+](C)CCCCN2C(=O)c3ccccc3C2=O)Oc2ccccc21 ZINC000024242052 132483055 /nfs/dbraw/zinc/48/30/55/132483055.db2.gz UWYIVKCWRLPDGQ-GOSISDBHSA-N 1 1 407.514 3.282 50 0 HGAAMO C[NH+](C)[C@H](CNC(=O)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1ccco1 ZINC000044514949 522078321 /nfs/dbraw/zinc/07/83/21/522078321.db2.gz HIYYAWKLQNEKLU-CZUORRHYSA-N 1 1 409.408 3.070 50 0 HGAAMO COc1cc(OC)c(C2=CC[N@H+](C[C@@H](O)COc3ccccc3F)CC2)c(OC)c1 ZINC000032860412 522790536 /nfs/dbraw/zinc/79/05/36/522790536.db2.gz VIEZWWXPGROTOJ-QGZVFWFLSA-N 1 1 417.477 3.381 50 0 HGAAMO COc1cc(OC)c(C2=CC[N@@H+](C[C@@H](O)COc3ccccc3F)CC2)c(OC)c1 ZINC000032860412 522790543 /nfs/dbraw/zinc/79/05/43/522790543.db2.gz VIEZWWXPGROTOJ-QGZVFWFLSA-N 1 1 417.477 3.381 50 0 HGAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)CCc1ccc2c(c1)CCO2 ZINC000263585338 523731328 /nfs/dbraw/zinc/73/13/28/523731328.db2.gz HOJYAUPEVDWDBN-FCHUYYIVSA-N 1 1 400.563 3.294 50 0 biogenic HGAAMO C[C@H](CNS(=O)(=O)c1ccc(Br)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000028322651 524493701 /nfs/dbraw/zinc/49/37/01/524493701.db2.gz MEMWMEMBCPAPKI-CQSZACIVSA-N 1 1 409.349 3.174 50 0 HGAAMO C[C@H](CNS(=O)(=O)c1ccc(Br)cc1)[N@H+]1CCc2ccccc2C1 ZINC000028322651 524493711 /nfs/dbraw/zinc/49/37/11/524493711.db2.gz MEMWMEMBCPAPKI-CQSZACIVSA-N 1 1 409.349 3.174 50 0 HGAAMO COc1ccccc1N1CCN([C@H]2CCC[N@@H+](Cc3cnc(N(C)C)s3)C2)CC1 ZINC000020540456 524562748 /nfs/dbraw/zinc/56/27/48/524562748.db2.gz UCPAGMAKAFZZKN-SFHVURJKSA-N 1 1 415.607 3.004 50 0 HGAAMO COc1ccccc1N1CC[NH+]([C@H]2CCCN(Cc3cnc(N(C)C)s3)C2)CC1 ZINC000020540456 524562768 /nfs/dbraw/zinc/56/27/68/524562768.db2.gz UCPAGMAKAFZZKN-SFHVURJKSA-N 1 1 415.607 3.004 50 0 HGAAMO COc1ccc2cc(C[N@H+](C)CC(=O)N3CCN(c4ccccn4)CC3)ccc2c1 ZINC000007805933 537033035 /nfs/dbraw/zinc/03/30/35/537033035.db2.gz IFPNPVBIHHTFLN-UHFFFAOYSA-N 1 1 404.514 3.024 50 0 HGAAMO COc1ccc2cc(C[N@@H+](C)CC(=O)N3CCN(c4ccccn4)CC3)ccc2c1 ZINC000007805933 537033038 /nfs/dbraw/zinc/03/30/38/537033038.db2.gz IFPNPVBIHHTFLN-UHFFFAOYSA-N 1 1 404.514 3.024 50 0 HGAAMO COc1cccc(N2CC[N@@H+](CCc3cc(OC)c(OC)c(OC)c3)C[C@@H]2C)c1 ZINC000005336284 537123496 /nfs/dbraw/zinc/12/34/96/537123496.db2.gz MIQBLSKRKGUUOS-KRWDZBQOSA-N 1 1 400.519 3.474 50 0 HGAAMO CCOC(=O)c1c(NC(=S)NC(=O)c2ccccc2)sc2c1CC[N@H+](CC)C2 ZINC000004888877 557610112 /nfs/dbraw/zinc/61/01/12/557610112.db2.gz CLZNITSKTNSJRL-UHFFFAOYSA-N 1 1 417.556 3.430 50 0 HGAAMO CCOC(=O)c1c(NC(=S)NC(=O)c2ccccc2)sc2c1CC[N@@H+](CC)C2 ZINC000004888877 557610116 /nfs/dbraw/zinc/61/01/16/557610116.db2.gz CLZNITSKTNSJRL-UHFFFAOYSA-N 1 1 417.556 3.430 50 0 HGAAMO CCN1CC[NH+](CCCNC(=O)c2ccc3nc(Cc4ccccc4)oc3c2)CC1 ZINC000022795517 557822757 /nfs/dbraw/zinc/82/27/57/557822757.db2.gz YJHNIHFQZFJGAA-UHFFFAOYSA-N 1 1 406.530 3.176 50 0 HGAAMO Cc1cc(Br)ccc1OCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019823257 558290817 /nfs/dbraw/zinc/29/08/17/558290817.db2.gz KVGSBZFSLSORHT-UHFFFAOYSA-N 1 1 403.320 3.481 50 0 HGAAMO CN(C[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1)C(=O)CCN1CCCCC1=O ZINC000011878782 558293335 /nfs/dbraw/zinc/29/33/35/558293335.db2.gz TVZUQEMBMGSTET-FQEVSTJZSA-N 1 1 419.997 3.456 50 0 HGAAMO CC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]([N@@H+](C)CCc3ccccc3)C2)cc1 ZINC000011879441 558293845 /nfs/dbraw/zinc/29/38/45/558293845.db2.gz DBMVNIWGBFDOIP-OAQYLSRUSA-N 1 1 400.544 3.217 50 0 HGAAMO CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CCN(Cc2nc3ccccc3n2C)CC1 ZINC000011936159 558300298 /nfs/dbraw/zinc/30/02/98/558300298.db2.gz XGVZGZBZICWGMO-FQEVSTJZSA-N 1 1 411.594 3.166 50 0 HGAAMO CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CCN(Cc2nc3ccccc3n2C)CC1 ZINC000011936159 558300300 /nfs/dbraw/zinc/30/03/00/558300300.db2.gz XGVZGZBZICWGMO-FQEVSTJZSA-N 1 1 411.594 3.166 50 0 HGAAMO CCOC(=O)N1CCC(NC(=O)CC[N@H+]2Cc3cc(Cl)ccc3O[C@@H](C)C2)CC1 ZINC000012041902 558313040 /nfs/dbraw/zinc/31/30/40/558313040.db2.gz IJGOOMFXCVIBNZ-HNNXBMFYSA-N 1 1 423.941 3.050 50 0 HGAAMO CCOC(=O)N1CCC(NC(=O)CC[N@@H+]2Cc3cc(Cl)ccc3O[C@@H](C)C2)CC1 ZINC000012041902 558313042 /nfs/dbraw/zinc/31/30/42/558313042.db2.gz IJGOOMFXCVIBNZ-HNNXBMFYSA-N 1 1 423.941 3.050 50 0 HGAAMO COc1ccc(CC[N@@H+]2CCC[C@@H](CN(C)Cc3ccc(OCCO)cc3)C2)cc1 ZINC000012051604 558314460 /nfs/dbraw/zinc/31/44/60/558314460.db2.gz SJBADFDBHMDNDE-QHCPKHFHSA-N 1 1 412.574 3.453 50 0 HGAAMO COc1ccc(CC[N@H+]2CCC[C@@H](CN(C)Cc3ccc(OCCO)cc3)C2)cc1 ZINC000012051604 558314461 /nfs/dbraw/zinc/31/44/61/558314461.db2.gz SJBADFDBHMDNDE-QHCPKHFHSA-N 1 1 412.574 3.453 50 0 HGAAMO COc1ccc(C[N@H+]2CCN(Cc3cnn(C(C)C)c3)C[C@@H]2CCO)c(C)c1C ZINC000020254700 558351888 /nfs/dbraw/zinc/35/18/88/558351888.db2.gz BORLEMRNDIWRSE-QFIPXVFZSA-N 1 1 400.567 3.158 50 0 HGAAMO CCOc1ccccc1C[N@@H+]1CCN(Cc2ccc3nsnc3c2)C[C@@H]1CCO ZINC000020256573 558352103 /nfs/dbraw/zinc/35/21/03/558352103.db2.gz ZJNNUZSBMIYMJT-IBGZPJMESA-N 1 1 412.559 3.159 50 0 HGAAMO CCOc1ccccc1C[N@H+]1CCN(Cc2ccc3nsnc3c2)C[C@@H]1CCO ZINC000020256573 558352105 /nfs/dbraw/zinc/35/21/05/558352105.db2.gz ZJNNUZSBMIYMJT-IBGZPJMESA-N 1 1 412.559 3.159 50 0 HGAAMO O=C(N1CCC[C@@](CO)(CCc2ccccc2)C1)C1([NH+]2CCOCC2)CCCCC1 ZINC000020255975 558352143 /nfs/dbraw/zinc/35/21/43/558352143.db2.gz IQUXUKJISCZRJV-XMMPIXPASA-N 1 1 414.590 3.255 50 0 HGAAMO COc1ccc2c(c1)C=C(CN1CC[N@@H+](Cc3cccs3)[C@@H](CCO)C1)CO2 ZINC000020294041 558354243 /nfs/dbraw/zinc/35/42/43/558354243.db2.gz HXVQVSFPQOYDTP-IBGZPJMESA-N 1 1 400.544 3.101 50 0 HGAAMO COc1ccc(CN(CCC[NH+]2CCOCC2)C(=O)Nc2ccccc2)cc1OC ZINC000020358178 558357872 /nfs/dbraw/zinc/35/78/72/558357872.db2.gz JGTSZZZMOHLHKB-UHFFFAOYSA-N 1 1 413.518 3.460 50 0 HGAAMO CCCSc1nc2sc3c(c2c(N2CC[NH+](CCO)CC2)n1)CC(C)(C)OC3 ZINC000020358170 558357949 /nfs/dbraw/zinc/35/79/49/558357949.db2.gz HQWAZXNYPHQYPY-UHFFFAOYSA-N 1 1 422.620 3.159 50 0 HGAAMO COc1ccc(C[N@H+]2CCN(Cc3c[nH]nc3-c3ccccc3)C[C@@H]2CCO)cc1C ZINC000020388198 558359105 /nfs/dbraw/zinc/35/91/05/558359105.db2.gz QKGWCPKGGHPHSH-QHCPKHFHSA-N 1 1 420.557 3.463 50 0 HGAAMO COc1ccc(CN2CC[N@H+](Cc3c[nH]nc3-c3ccccc3)C[C@@H]2CCO)cc1C ZINC000020388198 558359107 /nfs/dbraw/zinc/35/91/07/558359107.db2.gz QKGWCPKGGHPHSH-QHCPKHFHSA-N 1 1 420.557 3.463 50 0 HGAAMO COc1ccc(CN2CC[N@@H+](Cc3c[nH]nc3-c3ccccc3)C[C@@H]2CCO)cc1C ZINC000020388198 558359109 /nfs/dbraw/zinc/35/91/09/558359109.db2.gz QKGWCPKGGHPHSH-QHCPKHFHSA-N 1 1 420.557 3.463 50 0 HGAAMO CCOC(=O)N1CCN([C@H]2CCC[N@@H+](Cc3c[nH]nc3C3CCCCC3)C2)CC1 ZINC000020452632 558366766 /nfs/dbraw/zinc/36/67/66/558366766.db2.gz XFULBQISULUWKO-FQEVSTJZSA-N 1 1 403.571 3.196 50 0 HGAAMO CCOC(=O)C[C@@H]1CCCC[N@H+]1Cc1c[nH]nc1-c1cc(OC)c(OC)c(OC)c1 ZINC000012431263 558405768 /nfs/dbraw/zinc/40/57/68/558405768.db2.gz FPORDZIAUBVJRW-KRWDZBQOSA-N 1 1 417.506 3.410 50 0 HGAAMO Cc1cc(C[NH+]2CCC(Oc3cccc(C(=O)NCc4cccnc4)c3)CC2)[nH]n1 ZINC000012432007 558406384 /nfs/dbraw/zinc/40/63/84/558406384.db2.gz XGCFOVMSVZNLMV-UHFFFAOYSA-N 1 1 405.502 3.087 50 0 HGAAMO COc1ccc(C[N@H+](C)Cc2c(C(=O)N3CCCC3)nc3ccccn32)cc1OC ZINC000012434332 558408354 /nfs/dbraw/zinc/40/83/54/558408354.db2.gz UCZIJRKTSNTVTA-UHFFFAOYSA-N 1 1 408.502 3.220 50 0 HGAAMO COc1ccc(C[N@@H+](C)Cc2c(C(=O)N3CCCC3)nc3ccccn32)cc1OC ZINC000012434332 558408358 /nfs/dbraw/zinc/40/83/58/558408358.db2.gz UCZIJRKTSNTVTA-UHFFFAOYSA-N 1 1 408.502 3.220 50 0 HGAAMO CCc1c(C(=O)N(C)Cc2nc(C)cs2)c(=O)cc(C)n1C[C@@H]1CCC[N@@H+]1CC ZINC000012454979 558416808 /nfs/dbraw/zinc/41/68/08/558416808.db2.gz ORUROSIGRLQQGM-KRWDZBQOSA-N 1 1 416.591 3.241 50 0 HGAAMO CC(C)[C@H]1C[N@@H+](C)CCN1Cc1c(C(=O)N(C)Cc2ccccc2)nc2ccccn21 ZINC000020863845 558417918 /nfs/dbraw/zinc/41/79/18/558417918.db2.gz XBLDVJXOGHROOX-OAQYLSRUSA-N 1 1 419.573 3.379 50 0 HGAAMO COC(=O)CC[C@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2)CC[C@H]1N1CCOCC1 ZINC000020906177 558421137 /nfs/dbraw/zinc/42/11/37/558421137.db2.gz KBMOGDOPPSXWBI-PKOBYXMFSA-N 1 1 414.468 3.181 50 0 HGAAMO COC(=O)CC[C@H]1CN(Cc2cccc(C(F)(F)F)c2)CC[C@H]1[NH+]1CCOCC1 ZINC000020906177 558421140 /nfs/dbraw/zinc/42/11/40/558421140.db2.gz KBMOGDOPPSXWBI-PKOBYXMFSA-N 1 1 414.468 3.181 50 0 HGAAMO Cc1cc(C)n(-c2ccc(F)cc2CN2CC[N@@H+](C3CCCC3)[C@@H](CCO)C2)n1 ZINC000020994651 558426621 /nfs/dbraw/zinc/42/66/21/558426621.db2.gz BRTTXYSXBFTPOW-QFIPXVFZSA-N 1 1 400.542 3.439 50 0 HGAAMO O=C(c1nc2sccn2c1C[NH2+][C@@H](Cn1cccn1)c1ccccc1)N1CCCC1 ZINC000020996181 558426809 /nfs/dbraw/zinc/42/68/09/558426809.db2.gz CRAKPNKPEPFWQM-SFHVURJKSA-N 1 1 420.542 3.359 50 0 HGAAMO CCCN1CCC([NH2+][C@H]2C[C@@H](C(=O)NC(C)C)N(Cc3ccccc3Cl)C2)CC1 ZINC000020999422 558427862 /nfs/dbraw/zinc/42/78/62/558427862.db2.gz KBZJDHNRJTWBGJ-UNMCSNQZSA-N 1 1 421.029 3.272 50 0 HGAAMO CCC[NH+]1CCC(N[C@H]2C[C@@H](C(=O)NC(C)C)N(Cc3ccccc3Cl)C2)CC1 ZINC000020999422 558427864 /nfs/dbraw/zinc/42/78/64/558427864.db2.gz KBZJDHNRJTWBGJ-UNMCSNQZSA-N 1 1 421.029 3.272 50 0 HGAAMO COc1cccc(C[N@H+]2CCC[C@@]3(CCN(C(=O)CC(F)(F)F)C3)C2)c1OC ZINC000012585768 558433830 /nfs/dbraw/zinc/43/38/30/558433830.db2.gz ZRXCPARCNJKGSN-LJQANCHMSA-N 1 1 400.441 3.471 50 0 HGAAMO Cc1ccccc1OCC[N@@H+](C)CC(=O)NCC(=O)Nc1cccc(Cl)c1C ZINC000021672828 558445389 /nfs/dbraw/zinc/44/53/89/558445389.db2.gz NSBSJGFXTQDKPT-UHFFFAOYSA-N 1 1 403.910 3.022 50 0 HGAAMO Cc1ccccc1OCC[N@H+](C)CC(=O)NCC(=O)Nc1cccc(Cl)c1C ZINC000021672828 558445393 /nfs/dbraw/zinc/44/53/93/558445393.db2.gz NSBSJGFXTQDKPT-UHFFFAOYSA-N 1 1 403.910 3.022 50 0 HGAAMO Cc1ccsc1CN(C)C(=O)[C@@H]1CCC[N@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000012715633 558454877 /nfs/dbraw/zinc/45/48/77/558454877.db2.gz BVAQZWMCOYRWRH-GOSISDBHSA-N 1 1 403.592 3.128 50 0 HGAAMO O=C(NCc1ccco1)[C@H]1CCC[N@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000012715962 558455147 /nfs/dbraw/zinc/45/51/47/558455147.db2.gz UFVCLZLCMWWMQO-KRWDZBQOSA-N 1 1 408.502 3.418 50 0 HGAAMO C[C@@H](C(=O)N1CCN(Cc2ccccc2)CC1)[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000012795581 558468406 /nfs/dbraw/zinc/46/84/06/558468406.db2.gz LRHQWWSYYOQXOP-NRFANRHFSA-N 1 1 419.569 3.314 50 0 HGAAMO FC(F)(F)c1ccc(C[N@H+]2CCCN(c3nnnn3-c3ccccc3)CC2)cc1 ZINC000012805685 558473461 /nfs/dbraw/zinc/47/34/61/558473461.db2.gz IMOTZGQNYFMQHC-UHFFFAOYSA-N 1 1 402.424 3.393 50 0 HGAAMO COc1cccc(OC)c1OC[C@H](O)C[NH+]1CCN(c2cc(Cl)ccc2C)CC1 ZINC000022298885 558477284 /nfs/dbraw/zinc/47/72/84/558477284.db2.gz NJXJNGGFTHHIIH-GOSISDBHSA-N 1 1 420.937 3.228 50 0 HGAAMO C[C@H](NC(=O)C[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1 ZINC000012971274 558488813 /nfs/dbraw/zinc/48/88/13/558488813.db2.gz NVFDLYYOWPPCIA-INIZCTEOSA-N 1 1 406.452 3.490 50 0 HGAAMO C[C@H](NC(=O)C[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1 ZINC000012971274 558488815 /nfs/dbraw/zinc/48/88/15/558488815.db2.gz NVFDLYYOWPPCIA-INIZCTEOSA-N 1 1 406.452 3.490 50 0 HGAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1cnn(Cc2ccccc2Cl)c1 ZINC000022462708 558490825 /nfs/dbraw/zinc/49/08/25/558490825.db2.gz YPMYFVZDTLBHHD-UHFFFAOYSA-N 1 1 416.953 3.350 50 0 HGAAMO Cc1cccc(NC(=O)CN2CC[NH+](CCC(=O)Nc3cccc(F)c3)CC2)c1C ZINC000022931603 558524404 /nfs/dbraw/zinc/52/44/04/558524404.db2.gz HVYYXHKQVUTDEY-UHFFFAOYSA-N 1 1 412.509 3.027 50 0 HGAAMO CCc1ccc(C[N@H+]2CCC[C@@H](CNS(=O)(=O)c3ccc(OC)cc3)C2)cc1 ZINC000013545295 558537917 /nfs/dbraw/zinc/53/79/17/558537917.db2.gz YBFZLHSAEWNIAJ-FQEVSTJZSA-N 1 1 402.560 3.448 50 0 HGAAMO CCCn1ncc(CN2CC[N@@H+](Cc3ccc(OC)c(C)c3C)[C@@H](CCO)C2)c1C ZINC000023372986 558553074 /nfs/dbraw/zinc/55/30/74/558553074.db2.gz IILSZUWZPKMJGG-QHCPKHFHSA-N 1 1 414.594 3.296 50 0 HGAAMO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2[C@@H](C(=O)N2CCOCC2)c2ccccc2)c1 ZINC000014066622 558616582 /nfs/dbraw/zinc/61/65/82/558616582.db2.gz AMTVJXRHFUKFRC-JTHBVZDNSA-N 1 1 410.514 3.441 50 0 HGAAMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2[C@@H](C(=O)N2CCOCC2)c2ccccc2)c1 ZINC000014066622 558616585 /nfs/dbraw/zinc/61/65/85/558616585.db2.gz AMTVJXRHFUKFRC-JTHBVZDNSA-N 1 1 410.514 3.441 50 0 HGAAMO Cc1cc(NC(=O)C[NH+]2CCC(C(=O)N3CCCC3)CC2)ccc1Br ZINC000024991571 558626093 /nfs/dbraw/zinc/62/60/93/558626093.db2.gz WFPBGKYLDQSOPP-UHFFFAOYSA-N 1 1 408.340 3.030 50 0 HGAAMO Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NCCC[NH+]3CCOCC3)cc12 ZINC000014185420 558630499 /nfs/dbraw/zinc/63/04/99/558630499.db2.gz NUPOTQFZZVZBOF-UHFFFAOYSA-N 1 1 416.522 3.046 50 0 HGAAMO C[C@@H](C(=O)N1CCc2ccccc21)[NH+]1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000025151412 558632952 /nfs/dbraw/zinc/63/29/52/558632952.db2.gz HQHCRXGUDVIGEE-KRWDZBQOSA-N 1 1 420.509 3.330 50 0 HGAAMO CCOc1ccc(C(=O)N[C@H](C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)C(C)C)cc1 ZINC000025541111 558643444 /nfs/dbraw/zinc/64/34/44/558643444.db2.gz FEZUYQWDYWVXPC-PKTZIBPZSA-N 1 1 423.557 3.355 50 0 HGAAMO CCOc1ccc(C(=O)N[C@H](C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)C(C)C)cc1 ZINC000025541111 558643446 /nfs/dbraw/zinc/64/34/46/558643446.db2.gz FEZUYQWDYWVXPC-PKTZIBPZSA-N 1 1 423.557 3.355 50 0 HGAAMO C[N@@H+](CCCNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)Cc1ccccc1 ZINC000014251511 558650090 /nfs/dbraw/zinc/65/00/90/558650090.db2.gz XSFZQFKIAXSQIO-UHFFFAOYSA-N 1 1 411.521 3.316 50 0 HGAAMO O=c1c2c(ncn1CCc1ccc(F)cc1)sc1c2CC[C@H]([NH+]2CCOCC2)C1 ZINC000014988169 558693326 /nfs/dbraw/zinc/69/33/26/558693326.db2.gz PDSCIQYDONCDLC-KRWDZBQOSA-N 1 1 413.518 3.029 50 0 HGAAMO CC(C)C(=O)N[C@H](C)c1nnc2n1CC[N@H+](Cc1ccc(-c3ccco3)cc1)CC2 ZINC000014990556 558694296 /nfs/dbraw/zinc/69/42/96/558694296.db2.gz MLEGMBISNWCRQK-QGZVFWFLSA-N 1 1 407.518 3.430 50 0 HGAAMO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(Cc2ccc(OC)cc2F)CC1 ZINC000015072565 558713846 /nfs/dbraw/zinc/71/38/46/558713846.db2.gz QRYFDILJEQEAEU-HXUWFJFHSA-N 1 1 405.558 3.427 50 0 HGAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(Cc2ccc(OC)cc2F)CC1 ZINC000015072565 558713848 /nfs/dbraw/zinc/71/38/48/558713848.db2.gz QRYFDILJEQEAEU-HXUWFJFHSA-N 1 1 405.558 3.427 50 0 HGAAMO CC[NH+](CC)C[C@H](O)COc1cc(CN(C)Cc2ccncc2C)ccc1OC ZINC000015075933 558716268 /nfs/dbraw/zinc/71/62/68/558716268.db2.gz PQWTWLSDMZUNBA-NRFANRHFSA-N 1 1 401.551 3.112 50 0 HGAAMO CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000030363060 558729253 /nfs/dbraw/zinc/72/92/53/558729253.db2.gz PVELFWISLGOPJC-NRFANRHFSA-N 1 1 413.949 3.269 50 0 HGAAMO CC(C)[C@H](CNC(=O)CCc1nc(-c2ccccn2)no1)[N@H+]1CCc2ccccc2C1 ZINC000030637593 558734818 /nfs/dbraw/zinc/73/48/18/558734818.db2.gz BJHVXGXFFRVLKM-NRFANRHFSA-N 1 1 419.529 3.263 50 0 HGAAMO CC[N@@H+](C)C[C@H]1CCN(CC(=O)Nc2ccccc2C(=O)Nc2cccc(C)c2)C1 ZINC000072305277 558760016 /nfs/dbraw/zinc/76/00/16/558760016.db2.gz MFSCUYWPZBWDQR-LJQANCHMSA-N 1 1 408.546 3.459 50 0 HGAAMO CSc1cccc(NC(=O)N2CCN(c3cc(N4CCCC4)nc(C)[nH+]3)CC2)c1 ZINC000033326778 558766955 /nfs/dbraw/zinc/76/69/55/558766955.db2.gz HIPDOQMEEOIUFI-UHFFFAOYSA-N 1 1 412.563 3.461 50 0 HGAAMO CC(C)=CC[N@H+]1CCN(Cc2cc(F)ccc2-n2nc(C)cc2C)C[C@H]1CCO ZINC000038149394 558810999 /nfs/dbraw/zinc/81/09/99/558810999.db2.gz ZCALLCIWRUSRJN-JOCHJYFZSA-N 1 1 400.542 3.463 50 0 HGAAMO CCC(=O)[C@H]1CCCN(C(=O)CC[N@@H+]2Cc3cc(OC)ccc3O[C@@H](CC)C2)C1 ZINC000039356639 558820174 /nfs/dbraw/zinc/82/01/74/558820174.db2.gz RQPWPQYXTUEVJW-HKUYNNGSSA-N 1 1 402.535 3.276 50 0 HGAAMO CCC(=O)[C@H]1CCCN(C(=O)CC[N@H+]2Cc3cc(OC)ccc3O[C@@H](CC)C2)C1 ZINC000039356639 558820177 /nfs/dbraw/zinc/82/01/77/558820177.db2.gz RQPWPQYXTUEVJW-HKUYNNGSSA-N 1 1 402.535 3.276 50 0 HGAAMO CCOc1ccccc1C[N@@H+]1CCN(Cc2ccc(OC)cc2F)[C@H](CCO)C1 ZINC000039510081 558821914 /nfs/dbraw/zinc/82/19/14/558821914.db2.gz FQUAEHOJAJZRND-HXUWFJFHSA-N 1 1 402.510 3.302 50 0 HGAAMO CCOc1ccccc1C[N@H+]1CCN(Cc2ccc(OC)cc2F)[C@H](CCO)C1 ZINC000039510081 558821916 /nfs/dbraw/zinc/82/19/16/558821916.db2.gz FQUAEHOJAJZRND-HXUWFJFHSA-N 1 1 402.510 3.302 50 0 HGAAMO Cc1cc2nc3sc(C(=O)NCC[N@H+](C)Cc4ccccc4)cc(=O)n3c2cc1C ZINC000033009091 558828352 /nfs/dbraw/zinc/82/83/52/558828352.db2.gz UQOPMVLUVDHVTM-UHFFFAOYSA-N 1 1 420.538 3.388 50 0 HGAAMO O=C(CN1CCC[C@H]1C[N@@H+]1CCC[C@@H]1CO)Nc1ccc(Cl)cc1C(F)(F)F ZINC000072313483 558840513 /nfs/dbraw/zinc/84/05/13/558840513.db2.gz XTVBQGINVZTBSJ-LSDHHAIUSA-N 1 1 419.875 3.218 50 0 HGAAMO OCC[C@@H]1CN(Cc2ccc(Oc3ncccn3)cc2)CC[N@H+]1Cc1cccs1 ZINC000019229408 558853436 /nfs/dbraw/zinc/85/34/36/558853436.db2.gz DRRQXIMLTKEPPG-LJQANCHMSA-N 1 1 410.543 3.399 50 0 HGAAMO O=C(C1CCN(c2nc3ccccc3[nH]2)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000033070930 558866267 /nfs/dbraw/zinc/86/62/67/558866267.db2.gz LRDGXESVTWNHFI-UHFFFAOYSA-N 1 1 403.530 3.124 50 0 HGAAMO Cc1nc(N2CC[NH+](C)CC2)ncc1C(=O)N(C/C=C/c1ccccc1)CC(C)C ZINC000055327000 558879340 /nfs/dbraw/zinc/87/93/40/558879340.db2.gz PHFHSUWHINBNIB-DHZHZOJOSA-N 1 1 407.562 3.348 50 0 HGAAMO O=C(CSc1ccncc1)N1CCC[C@@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000055386648 558880866 /nfs/dbraw/zinc/88/08/66/558880866.db2.gz YTIYVRWVRMMQKL-HXUWFJFHSA-N 1 1 414.550 3.126 50 0 HGAAMO CCOc1ccc(CNc2nc3ccccc3n2CC[NH+]2CCOCC2)cc1OC ZINC000004625988 558890188 /nfs/dbraw/zinc/89/01/88/558890188.db2.gz DHYOVRDYIXIEHL-UHFFFAOYSA-N 1 1 410.518 3.388 50 0 HGAAMO O=C(c1cc2ccccc2[nH]1)N1CCC([N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071422153 558897938 /nfs/dbraw/zinc/89/79/38/558897938.db2.gz VFZJYFBIWWTRCH-LJQANCHMSA-N 1 1 408.546 3.107 50 0 HGAAMO Cc1ccc(NC(=O)NC[C@@H](C(C)C)[N@H+]2CCc3ccccc3C2)cc1-n1cnnn1 ZINC000058134099 558900617 /nfs/dbraw/zinc/90/06/17/558900617.db2.gz DCCIOTALCKLVBY-QFIPXVFZSA-N 1 1 419.533 3.175 50 0 HGAAMO Cc1csc2c1ncnc2N1CCC([N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071575210 558905226 /nfs/dbraw/zinc/90/52/26/558905226.db2.gz CPYVEEYXIXWKSP-QGZVFWFLSA-N 1 1 413.591 3.303 50 0 HGAAMO COc1ccccc1C[C@H]1CCC[N@H+]1CC(=O)N1CCc2cc(OC)c(OC)cc2C1 ZINC000058441236 558927613 /nfs/dbraw/zinc/92/76/13/558927613.db2.gz KABBWVBJPYNDIN-OAQYLSRUSA-N 1 1 424.541 3.304 50 0 HGAAMO COc1ccccc1[C@H]1[NH+]=C(NCc2ccc(Cl)cc2)Nc2nc(C)cc(=O)n21 ZINC000014607531 558930693 /nfs/dbraw/zinc/93/06/93/558930693.db2.gz BXYYXJHPMNVIAG-IBGZPJMESA-N 1 1 409.877 3.332 50 0 HGAAMO COc1ccc(NC(=O)N2CCN(c3cc(N4CCCC4)nc(C)[nH+]3)CC2)c(C)c1 ZINC000065364274 558975420 /nfs/dbraw/zinc/97/54/20/558975420.db2.gz SIUIIEQRMKENDQ-UHFFFAOYSA-N 1 1 410.522 3.056 50 0 HGAAMO COc1ccc(NC(=O)c2nc3cc(F)c(N4CC[NH+](C)CC4)cc3nc2C)cc1 ZINC000096602573 558981626 /nfs/dbraw/zinc/98/16/26/558981626.db2.gz IVLSCBWNYUAOAJ-UHFFFAOYSA-N 1 1 409.465 3.090 50 0 HGAAMO C[C@H](NC(=O)c1cc(C[NH+]2CCC(Cc3ccccc3)CC2)on1)c1ccncn1 ZINC000067672904 558991005 /nfs/dbraw/zinc/99/10/05/558991005.db2.gz RQICIOWFLQLDAW-KRWDZBQOSA-N 1 1 405.502 3.410 50 0 HGAAMO O=C(c1cc(CN2CCC(Cc3ccccc3)CC2)on1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000067885891 558994324 /nfs/dbraw/zinc/99/43/24/558994324.db2.gz YFYHCYUNCCYFSK-NRFANRHFSA-N 1 1 408.546 3.050 50 0 HGAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(CN2CCC(Cc3ccccc3)CC2)on1 ZINC000067883929 558994472 /nfs/dbraw/zinc/99/44/72/558994472.db2.gz OUEXXMSONYIILR-OAQYLSRUSA-N 1 1 410.562 3.343 50 0 HGAAMO Cc1ccccc1CN1CCC([N@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082083745 559036676 /nfs/dbraw/zinc/03/66/76/559036676.db2.gz WBBCZYYJMTUITQ-JOCHJYFZSA-N 1 1 406.574 3.383 50 0 HGAAMO O=C(NCc1ccno1)C1CC[NH+](C2CCN(CCCc3ccccc3)CC2)CC1 ZINC000082161292 559041740 /nfs/dbraw/zinc/04/17/40/559041740.db2.gz NUGQMXMNXSOXCL-UHFFFAOYSA-N 1 1 410.562 3.100 50 0 HGAAMO COC(C)(C)CNC(=O)[C@H]1CCC[N@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000091934470 559074718 /nfs/dbraw/zinc/07/47/18/559074718.db2.gz MEBLYMNQLZPAOY-KRWDZBQOSA-N 1 1 414.550 3.050 50 0 HGAAMO CC(C)C[C@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)N1C(=O)c2ccccc2C1=O ZINC000033374754 559116297 /nfs/dbraw/zinc/11/62/97/559116297.db2.gz SSEYJCGJEQNUNH-JOCHJYFZSA-N 1 1 419.525 3.042 50 0 HGAAMO C[C@@H](CNC(=O)CC[N@H+]1Cc2cc(Cl)ccc2O[C@@H](C)C1)Oc1cccnc1 ZINC000104540252 559161177 /nfs/dbraw/zinc/16/11/77/559161177.db2.gz LCJJXAOQEGOAQA-HOTGVXAUSA-N 1 1 403.910 3.292 50 0 HGAAMO C[C@@H](CNC(=O)CC[N@@H+]1Cc2cc(Cl)ccc2O[C@@H](C)C1)Oc1cccnc1 ZINC000104540252 559161179 /nfs/dbraw/zinc/16/11/79/559161179.db2.gz LCJJXAOQEGOAQA-HOTGVXAUSA-N 1 1 403.910 3.292 50 0 HGAAMO Cn1c(C(=O)NCCC[N@@H+](C)Cc2ccccc2)cc2c1c1ccccc1[nH]c2=O ZINC000004930665 559209575 /nfs/dbraw/zinc/20/95/75/559209575.db2.gz CQWSRWUYJKNYQO-UHFFFAOYSA-N 1 1 402.498 3.272 50 0 HGAAMO CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000005068473 559240476 /nfs/dbraw/zinc/24/04/76/559240476.db2.gz GOKQVHHBOIENNV-UONOGXRCSA-N 1 1 417.506 3.421 50 0 HGAAMO COCCCN(C[C@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)c1cc(-c2cccnc2)n[nH]1 ZINC000409415105 559250965 /nfs/dbraw/zinc/25/09/65/559250965.db2.gz TZXOHCPJFHMULX-DENIHFKCSA-N 1 1 411.550 3.215 50 0 HGAAMO COCCCN(C[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1cc(-c2cccnc2)[nH]n1 ZINC000409415105 559250966 /nfs/dbraw/zinc/25/09/66/559250966.db2.gz TZXOHCPJFHMULX-DENIHFKCSA-N 1 1 411.550 3.215 50 0 HGAAMO COCCCN(C[C@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)c1cc(-c2cccnc2)[nH]n1 ZINC000409415105 559250968 /nfs/dbraw/zinc/25/09/68/559250968.db2.gz TZXOHCPJFHMULX-DENIHFKCSA-N 1 1 411.550 3.215 50 0 HGAAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)Cn1nnc(-c2ccccc2Cl)n1 ZINC000252430917 559277128 /nfs/dbraw/zinc/27/71/28/559277128.db2.gz SSDCVOWMGCLSRS-YLJYHZDGSA-N 1 1 422.920 3.136 50 0 HGAAMO CC[N@H+]1CCc2nc(-c3ccccc3)n(CC(=O)Nc3ccc(C)c(F)c3)c(=O)c2C1 ZINC000062007131 560566299 /nfs/dbraw/zinc/56/62/99/560566299.db2.gz IECIWYDGKOSZRM-UHFFFAOYSA-N 1 1 420.488 3.375 50 0 HGAAMO CC[N@H+]1CCc2nc(-c3ccc(F)cc3)n(CC(=O)Nc3ccccc3C)c(=O)c2C1 ZINC000062007150 560566304 /nfs/dbraw/zinc/56/63/04/560566304.db2.gz LGMMCRIYNDAPSE-UHFFFAOYSA-N 1 1 420.488 3.375 50 0 HGAAMO COC[C@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2F)=NO1 ZINC000104985242 560859067 /nfs/dbraw/zinc/85/90/67/560859067.db2.gz RDOBANNLIZKTNV-QZTJIDSGSA-N 1 1 406.885 3.482 50 0 HGAAMO CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NCc1ccnc(-n2cc[nH+]c2C)c1 ZINC000047013589 560879774 /nfs/dbraw/zinc/87/97/74/560879774.db2.gz BUSSWRWRMSUZJG-NRFANRHFSA-N 1 1 401.470 3.156 50 0 HGAAMO C[NH+](C)[C@H](CNS(=O)(=O)c1ccccc1Br)c1cccc(F)c1 ZINC000047032810 560879879 /nfs/dbraw/zinc/87/98/79/560879879.db2.gz WVZUAHJZSVLOKI-OAHLLOKOSA-N 1 1 401.301 3.169 50 0 HGAAMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)CCc3nc4ccccc4c(=O)[nH]3)cc2)C1 ZINC000047109772 560880267 /nfs/dbraw/zinc/88/02/67/560880267.db2.gz DUEMOQOLYZSCKM-GOSISDBHSA-N 1 1 418.541 3.404 50 0 HGAAMO O=C(C[N@@H+](C[C@H]1CCOC1)C1CC1)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000106075428 560884472 /nfs/dbraw/zinc/88/44/72/560884472.db2.gz CXIZJYGEFJRNDW-UTKZUKDTSA-N 1 1 405.970 3.094 50 0 HGAAMO Cc1nccn1-c1ccc(NC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)cn1 ZINC000047275914 560885998 /nfs/dbraw/zinc/88/59/98/560885998.db2.gz RIWOITLIMHWWBS-IAGOWNOFSA-N 1 1 405.502 3.437 50 0 HGAAMO COc1ccc(OCCC(=O)NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000047539406 560891978 /nfs/dbraw/zinc/89/19/78/560891978.db2.gz RQYZXGHTRKOAIL-KDURUIRLSA-N 1 1 412.530 3.390 50 0 HGAAMO O=C(NCc1ccccc1)C(=O)NC[C@@H](c1cccs1)[N@@H+]1CCc2ccccc2C1 ZINC000022908008 568416173 /nfs/dbraw/zinc/41/61/73/568416173.db2.gz MWWSDCYORPLUHF-NRFANRHFSA-N 1 1 419.550 3.280 50 0 HGAAMO O=C(NCc1ccccc1)C(=O)NC[C@@H](c1cccs1)[N@H+]1CCc2ccccc2C1 ZINC000022908008 568416174 /nfs/dbraw/zinc/41/61/74/568416174.db2.gz MWWSDCYORPLUHF-NRFANRHFSA-N 1 1 419.550 3.280 50 0 HGAAMO COCC[N@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2nc(C3CC3)sc2n1 ZINC000046032276 568424758 /nfs/dbraw/zinc/42/47/58/568424758.db2.gz ZYPRFGCZGHYMLP-UHFFFAOYSA-N 1 1 404.923 3.330 50 0 HGAAMO COCC[N@@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2nc(C3CC3)sc2n1 ZINC000046032276 568424759 /nfs/dbraw/zinc/42/47/59/568424759.db2.gz ZYPRFGCZGHYMLP-UHFFFAOYSA-N 1 1 404.923 3.330 50 0 HGAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)c3ccc4c(c3)OCC(=O)N4)cc2)C1 ZINC000048311029 568436764 /nfs/dbraw/zinc/43/67/64/568436764.db2.gz CLNKFAHVJIVXIL-CALCHBBNSA-N 1 1 407.514 3.425 50 0 HGAAMO Cc1nc2sc(-c3ccccc3)cc2c(N2CCC[C@@H]2C(=O)N2CC[NH+](C)CC2)n1 ZINC000048324054 568438114 /nfs/dbraw/zinc/43/81/14/568438114.db2.gz QUBQSJIVWJHPBF-LJQANCHMSA-N 1 1 421.570 3.410 50 0 HGAAMO CC[N@@H+](CCC1CCN(C(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)CC1)CC(C)C ZINC000095459630 568619839 /nfs/dbraw/zinc/61/98/39/568619839.db2.gz NBUQIWBALLSPHG-OYRHEFFESA-N 1 1 419.610 3.158 50 0 HGAAMO CCOc1ccc(-n2c(C)nc3cc(C(=O)NCCC[NH+]4CCOCC4)ccc32)cc1 ZINC000020757777 568641935 /nfs/dbraw/zinc/64/19/35/568641935.db2.gz ZGJXCQNEIQOPFD-UHFFFAOYSA-N 1 1 422.529 3.185 50 0 HGAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc(CN2C(=O)CSc3ncccc32)cc1 ZINC000020934589 568652037 /nfs/dbraw/zinc/65/20/37/568652037.db2.gz WVNZSYRVVSVTNR-QGZVFWFLSA-N 1 1 424.570 3.325 50 0 HGAAMO COc1ccc(OCC(=O)NC[C@H](c2cccn2C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000021151944 568672626 /nfs/dbraw/zinc/67/26/26/568672626.db2.gz LHXLIRQDSCOYBM-XMMPIXPASA-N 1 1 419.525 3.328 50 0 HGAAMO COc1ccc(OCC(=O)NC[C@H](c2cccn2C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000021151944 568672629 /nfs/dbraw/zinc/67/26/29/568672629.db2.gz LHXLIRQDSCOYBM-XMMPIXPASA-N 1 1 419.525 3.328 50 0 HGAAMO COc1ccc(C2=CC[N@H+](CC(=O)NC[C@H]3CCN(c4ccccc4)C3)CC2)cc1 ZINC000051915891 568713739 /nfs/dbraw/zinc/71/37/39/568713739.db2.gz JNHZELAZKJPERL-HXUWFJFHSA-N 1 1 405.542 3.427 50 0 HGAAMO COc1ccc(C2=CC[N@@H+](CC(=O)NC[C@H]3CCN(c4ccccc4)C3)CC2)cc1 ZINC000051915891 568713741 /nfs/dbraw/zinc/71/37/41/568713741.db2.gz JNHZELAZKJPERL-HXUWFJFHSA-N 1 1 405.542 3.427 50 0 HGAAMO CCOC(=O)c1cnn(-c2ccc(NC(=O)N[C@H]3CC[N@H+]4CCCC[C@@H]34)cc2)c1C ZINC000229447511 568714220 /nfs/dbraw/zinc/71/42/20/568714220.db2.gz JXBGZMMNONHKPX-PMACEKPBSA-N 1 1 411.506 3.106 50 0 HGAAMO CCN(CC)c1ncc2c(n1)CC[C@@H](C(=O)N1CC[NH+](Cc3ccc(C)cc3)CC1)C2 ZINC000096310525 568724387 /nfs/dbraw/zinc/72/43/87/568724387.db2.gz GTFLXKWVACOJAV-OAQYLSRUSA-N 1 1 421.589 3.081 50 0 HGAAMO CC(C)[NH+]1CCN(C(=O)c2ccc3[nH]c4c(c3c2)CN(C(=O)C2CCC2)CC4)CC1 ZINC000096363748 568739569 /nfs/dbraw/zinc/73/95/69/568739569.db2.gz VUGFUDJBQNKZDQ-UHFFFAOYSA-N 1 1 408.546 3.019 50 0 HGAAMO CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NC[C@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000025536111 568774602 /nfs/dbraw/zinc/77/46/02/568774602.db2.gz DFSVNQGRLZNUQZ-IFMALSPDSA-N 1 1 411.546 3.233 50 0 HGAAMO O=C(c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000002486598 568775314 /nfs/dbraw/zinc/77/53/14/568775314.db2.gz YDPRVLBFSLWEOG-LBPRGKRZSA-N 1 1 421.448 3.397 50 0 HGAAMO COc1ccc(C[NH+]2CCC(NS(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1F ZINC000055645088 568781327 /nfs/dbraw/zinc/78/13/27/568781327.db2.gz KUBHFKRLAPJYQG-UHFFFAOYSA-N 1 1 418.534 3.266 50 0 HGAAMO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2[C@H](C(=O)N2CCOCC2)c2ccccc2)c1 ZINC000057369308 568829505 /nfs/dbraw/zinc/82/95/05/568829505.db2.gz AMTVJXRHFUKFRC-GMAHTHKFSA-N 1 1 410.514 3.441 50 0 HGAAMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2[C@H](C(=O)N2CCOCC2)c2ccccc2)c1 ZINC000057369308 568829508 /nfs/dbraw/zinc/82/95/08/568829508.db2.gz AMTVJXRHFUKFRC-GMAHTHKFSA-N 1 1 410.514 3.441 50 0 HGAAMO C[N@@H+](CCNC(=O)[C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1)Cc1ccccc1 ZINC000002964669 568830778 /nfs/dbraw/zinc/83/07/78/568830778.db2.gz XWLJUKVBSDKQKV-INIZCTEOSA-N 1 1 403.885 3.080 50 0 HGAAMO O=c1c2cc(N3CCOCC3)ccc2[nH]c(=S)n1CCC[NH+]1CCCCCC1 ZINC000002976068 568832609 /nfs/dbraw/zinc/83/26/09/568832609.db2.gz UMQMATRBVWSLID-UHFFFAOYSA-N 1 1 402.564 3.162 50 0 HGAAMO [NH2+]=C1Nc2nc3cc4c(cc3n2[C@H](c2cccc(C(F)(F)F)c2)N1)OCCCO4 ZINC000012506229 568839241 /nfs/dbraw/zinc/83/92/41/568839241.db2.gz XGHLWCIFYAZLNI-MRXNPFEDSA-N 1 1 403.364 3.313 50 0 HGAAMO C[C@@H]1C[N@H+](CCCNC(=O)N(C)Cc2csc(Br)c2)C[C@H](C)O1 ZINC000057481380 568841387 /nfs/dbraw/zinc/84/13/87/568841387.db2.gz UUCDHYIKTKUAKP-BETUJISGSA-N 1 1 404.374 3.151 50 0 HGAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2c(=O)c3ccccc3[nH]c2=S)cc1 ZINC000003043740 568848160 /nfs/dbraw/zinc/84/81/60/568848160.db2.gz ZCXSKZVVSVSTFP-QGZVFWFLSA-N 1 1 408.527 3.262 50 0 HGAAMO COc1ccc2c(c1)N1CC[N@H+](Cc3ccc(F)cc3)C[C@H]1[C@H](C(=O)NC(C)C)C2 ZINC000230138092 568851254 /nfs/dbraw/zinc/85/12/54/568851254.db2.gz MGAJNFHGUSLJQZ-GGAORHGYSA-N 1 1 411.521 3.222 50 0 HGAAMO Cc1cccc(C2N=NC(=S)N2CCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000012552186 568853588 /nfs/dbraw/zinc/85/35/88/568853588.db2.gz IFIWICDSUFFTDH-HXUWFJFHSA-N 1 1 421.570 3.323 50 0 HGAAMO CCOC(=O)C1=C(C[N@@H+](C)[C@@H]2CCCc3ccccc32)NC(=O)N[C@H]1c1ccco1 ZINC000057704376 568858603 /nfs/dbraw/zinc/85/86/03/568858603.db2.gz JVIBEVQYMAWWOF-NQIIRXRSSA-N 1 1 409.486 3.460 50 0 HGAAMO Cc1ccc([C@H](CNS(=O)(=O)c2ccc(F)cc2Br)[NH+](C)C)cc1 ZINC000057995206 568873346 /nfs/dbraw/zinc/87/33/46/568873346.db2.gz WUFIFEMGMZWQEJ-INIZCTEOSA-N 1 1 415.328 3.478 50 0 HGAAMO O=C1CCN(Cc2cccc(OCc3ccccc3)c2)CCN1CC[NH+]1CCCC1 ZINC000299765105 568873512 /nfs/dbraw/zinc/87/35/12/568873512.db2.gz VRAXFSZPLCOIOP-UHFFFAOYSA-N 1 1 407.558 3.396 50 0 HGAAMO COc1ccc(CN2CC[N@@H+](C3CCN(Cc4ccccc4)CC3)CCC2=O)cc1 ZINC000299783788 568875431 /nfs/dbraw/zinc/87/54/31/568875431.db2.gz WYUZEGJMIAXFNR-UHFFFAOYSA-N 1 1 407.558 3.394 50 0 HGAAMO COc1ccc(CN2CC[N@H+](C3CCN(Cc4ccccc4)CC3)CCC2=O)cc1 ZINC000299783788 568875434 /nfs/dbraw/zinc/87/54/34/568875434.db2.gz WYUZEGJMIAXFNR-UHFFFAOYSA-N 1 1 407.558 3.394 50 0 HGAAMO CCOC(=O)CC[N@H+](CC(=O)Nc1sc2c(c1C(=O)OC)CCCC2)CC1CC1 ZINC000058134352 568889979 /nfs/dbraw/zinc/88/99/79/568889979.db2.gz QSKJHWCDQABUMG-UHFFFAOYSA-N 1 1 422.547 3.017 50 0 HGAAMO C[NH+](C)[C@H](CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1)c1ccco1 ZINC000003417353 568899237 /nfs/dbraw/zinc/89/92/37/568899237.db2.gz IWNJTXQTRJDTOB-ZWKOTPCHSA-N 1 1 411.527 3.101 50 0 HGAAMO COc1c2c(cc3c1[C@H](C[C@H](O)CCc1ccc4c(c1)OCO4)[N@@H+](C)CC3)OCO2 ZINC000004042832 568935964 /nfs/dbraw/zinc/93/59/64/568935964.db2.gz SDGLWTATVZQCPU-SJORKVTESA-N 1 1 413.470 3.065 50 0 biogenic HGAAMO Cc1ccc(CCN2C[C@H](C(=O)NCCC[N@H+](C)Cc3ccccc3)CC2=O)cc1 ZINC000004101923 568942982 /nfs/dbraw/zinc/94/29/82/568942982.db2.gz OWTGVWTZHGSJEY-HSZRJFAPSA-N 1 1 407.558 3.024 50 0 HGAAMO C[C@@H]1C[C@H](C)C[N@@H+](Cc2csc(NC(=O)CNC(=O)c3ccccc3F)n2)C1 ZINC000012783519 568958976 /nfs/dbraw/zinc/95/89/76/568958976.db2.gz LAFDFCSACUHLBD-OKILXGFUSA-N 1 1 404.511 3.129 50 0 HGAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2csc(NC(=O)CNC(=O)c3ccccc3F)n2)C1 ZINC000012783519 568958977 /nfs/dbraw/zinc/95/89/77/568958977.db2.gz LAFDFCSACUHLBD-OKILXGFUSA-N 1 1 404.511 3.129 50 0 HGAAMO Cc1nn(-c2ccccc2)cc1-c1noc(C(=O)NCCC[N@@H+]2CCC[C@H](C)C2)n1 ZINC000015729678 568980262 /nfs/dbraw/zinc/98/02/62/568980262.db2.gz NJXPVTMQRXCCHK-INIZCTEOSA-N 1 1 408.506 3.083 50 0 HGAAMO COc1ccc2c(C)c(CCC(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)c(=O)oc2c1 ZINC000012808018 568980362 /nfs/dbraw/zinc/98/03/62/568980362.db2.gz RLVJVAAKZFIWAJ-IBGZPJMESA-N 1 1 420.509 3.433 50 0 HGAAMO CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc2[nH]c3c(c2cc1C)C(=O)CC(C)(C)C3 ZINC000015733755 568983311 /nfs/dbraw/zinc/98/33/11/568983311.db2.gz QSDPKKXFFCGIRV-OAHLLOKOSA-N 1 1 417.575 3.394 50 0 HGAAMO CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2cccc(Cl)c2)cc1 ZINC000008225714 568983306 /nfs/dbraw/zinc/98/33/06/568983306.db2.gz DSLSAPBUCXWOIH-OAHLLOKOSA-N 1 1 423.966 3.486 50 0 HGAAMO CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cccc(Cl)c2)cc1 ZINC000008225714 568983308 /nfs/dbraw/zinc/98/33/08/568983308.db2.gz DSLSAPBUCXWOIH-OAHLLOKOSA-N 1 1 423.966 3.486 50 0 HGAAMO Cc1nc2ccccc2n1CC1CC[NH+](CC(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000038488538 568997820 /nfs/dbraw/zinc/99/78/20/568997820.db2.gz AIVJEEIZTKGVBR-UHFFFAOYSA-N 1 1 420.513 3.467 50 0 HGAAMO Cc1cccc(CN2CC[N@H+](Cc3ccc(Oc4ncccn4)cc3)C[C@H]2CCO)n1 ZINC000106707954 569009230 /nfs/dbraw/zinc/00/92/30/569009230.db2.gz OXSCMNARHQHNBL-JOCHJYFZSA-N 1 1 419.529 3.041 50 0 HGAAMO Cc1cccc(CN2CC[N@@H+](Cc3ccc(Oc4ncccn4)cc3)C[C@H]2CCO)n1 ZINC000106707954 569009231 /nfs/dbraw/zinc/00/92/31/569009231.db2.gz OXSCMNARHQHNBL-JOCHJYFZSA-N 1 1 419.529 3.041 50 0 HGAAMO Cc1cccc(C[N@@H+]2CCN(Cc3ccc(Oc4ncccn4)cc3)C[C@H]2CCO)n1 ZINC000106707954 569009232 /nfs/dbraw/zinc/00/92/32/569009232.db2.gz OXSCMNARHQHNBL-JOCHJYFZSA-N 1 1 419.529 3.041 50 0 HGAAMO Cc1cccc(C[N@H+]2CCN(Cc3ccc(Oc4ncccn4)cc3)C[C@H]2CCO)n1 ZINC000106707954 569009233 /nfs/dbraw/zinc/00/92/33/569009233.db2.gz OXSCMNARHQHNBL-JOCHJYFZSA-N 1 1 419.529 3.041 50 0 HGAAMO CC[C@H]1CCCC[N@H+]1Cc1cc(=O)n2nc(NCc3ccc(Cl)cc3)[nH]c2n1 ZINC000101795870 569019013 /nfs/dbraw/zinc/01/90/13/569019013.db2.gz DZJNVTZDDAFDKE-KRWDZBQOSA-N 1 1 400.914 3.448 50 0 HGAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)C1CCN(c2ccc(-c3ccccc3)nn2)CC1 ZINC000035398327 569035182 /nfs/dbraw/zinc/03/51/82/569035182.db2.gz XOFBJYSSXRMEMY-IBGZPJMESA-N 1 1 407.562 3.351 50 0 HGAAMO CCOc1ccccc1OCCCC(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000089272449 569053868 /nfs/dbraw/zinc/05/38/68/569053868.db2.gz IFDWYQVRXMETCC-UHFFFAOYSA-N 1 1 411.546 3.183 50 0 HGAAMO O=C([C@@H]1CO[C@H]2C=CC=C[C@H]2O1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000239105283 569053976 /nfs/dbraw/zinc/05/39/76/569053976.db2.gz IDWULGNULPQONK-VXNXHJTFSA-N 1 1 416.521 3.199 50 0 HGAAMO CCOC(=O)C1=C(C[NH+]2C[C@H](C)C[C@@H](C)C2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000239306197 569054146 /nfs/dbraw/zinc/05/41/46/569054146.db2.gz GNKWWMYSQVHRQX-LPMFXHHGSA-N 1 1 405.926 3.489 50 0 HGAAMO FC(F)(F)c1cccc(-c2noc(CN3CCC[N@@H+](C[C@H]4CCCO4)CC3)n2)c1 ZINC000241383266 569054741 /nfs/dbraw/zinc/05/47/41/569054741.db2.gz MTTGIXKYTCIZJO-QGZVFWFLSA-N 1 1 410.440 3.442 50 0 HGAAMO COc1cccc(C[N@@H+](Cc2ccco2)C[C@@H](O)COCc2ccco2)c1OC ZINC000036103603 569092185 /nfs/dbraw/zinc/09/21/85/569092185.db2.gz IXPRIIDGDPERKC-GOSISDBHSA-N 1 1 401.459 3.470 50 0 HGAAMO COc1cccc(C[N@H+](Cc2ccco2)C[C@@H](O)COCc2ccco2)c1OC ZINC000036103603 569092186 /nfs/dbraw/zinc/09/21/86/569092186.db2.gz IXPRIIDGDPERKC-GOSISDBHSA-N 1 1 401.459 3.470 50 0 HGAAMO Cc1nc2cc(C(=O)NCC[N@@H+]3CCCC[C@H]3C)ccc2n(Cc2ccccc2)c1=O ZINC000064859414 569109471 /nfs/dbraw/zinc/10/94/71/569109471.db2.gz MLFPSCLCADDHRP-GOSISDBHSA-N 1 1 418.541 3.357 50 0 HGAAMO C[C@@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)CC1CC1 ZINC000036309086 569129875 /nfs/dbraw/zinc/12/98/75/569129875.db2.gz YJMIRHVDCFQELY-UTKZUKDTSA-N 1 1 414.571 3.346 50 0 HGAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1sc2nc3n(c(=O)c2c1C)CCC3 ZINC000006841342 569151887 /nfs/dbraw/zinc/15/18/87/569151887.db2.gz IKKNCWJQIJMOKO-HNNXBMFYSA-N 1 1 402.564 3.097 50 0 HGAAMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Cn2cc(C(F)(F)F)ccc2=O)C1 ZINC000036390795 569165993 /nfs/dbraw/zinc/16/59/93/569165993.db2.gz ZEBMNDAKVHSODC-MRXNPFEDSA-N 1 1 421.463 3.415 50 0 HGAAMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Cn3cccc(C(F)(F)F)c3=O)cc2)C1 ZINC000036390720 569166109 /nfs/dbraw/zinc/16/61/09/569166109.db2.gz RBHHMAKSCQBDPW-MRXNPFEDSA-N 1 1 421.463 3.415 50 0 HGAAMO CCCC[N@@H+](CC)CCNC(=O)c1ccc(C[S@](=O)c2ccc(OC)cc2)o1 ZINC000006895627 569175476 /nfs/dbraw/zinc/17/54/76/569175476.db2.gz UGJYXBNEQATXKI-MUUNZHRXSA-N 1 1 406.548 3.448 50 0 HGAAMO O=C(Cc1ccc(F)cc1)N1CCN(c2nc(C[NH+]3CCCCC3)cs2)CC1 ZINC000065200171 569193726 /nfs/dbraw/zinc/19/37/26/569193726.db2.gz YMDGAGHFJWXZSN-UHFFFAOYSA-N 1 1 402.539 3.159 50 0 HGAAMO Cc1ccc(OCC(=O)N2CCN(c3nc(C[NH+]4CCCCC4)cs3)CC2)cc1 ZINC000065200527 569193794 /nfs/dbraw/zinc/19/37/94/569193794.db2.gz WAPFDGJBBQHBPK-UHFFFAOYSA-N 1 1 414.575 3.165 50 0 HGAAMO C[C@H](c1ccccc1)[N@H+]1CC[C@@](F)(COC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)C1 ZINC000170595879 569241580 /nfs/dbraw/zinc/24/15/80/569241580.db2.gz XLTWXKWDRSVIMP-LLBVYWAGSA-N 1 1 402.510 3.353 50 0 HGAAMO O=C(CC[C@H](O)c1ccc2c(c1)CCC(=O)N2)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000170597791 569242208 /nfs/dbraw/zinc/24/22/08/569242208.db2.gz WDJHVOIQPUXOTG-GGAORHGYSA-N 1 1 421.541 3.166 50 0 HGAAMO Cc1sc2ncnc(SCCC(=O)N3CC[N@@H+](CC(C)(C)O)[C@@H](C)C3)c2c1C ZINC000170602681 569243730 /nfs/dbraw/zinc/24/37/30/569243730.db2.gz NIHGVKGJGYJEOY-ZDUSSCGKSA-N 1 1 422.620 3.094 50 0 HGAAMO COc1ccc([C@@H](NC(=O)C[NH+]2CCC(c3nncn3C3CC3)CC2)C(C)C)cc1 ZINC000089801711 569266327 /nfs/dbraw/zinc/26/63/27/569266327.db2.gz QJDGVMHJEHMKJV-QFIPXVFZSA-N 1 1 411.550 3.315 50 0 HGAAMO CC[N@@H+](CCC1CCN(C(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1)CC(C)C ZINC000252477400 569288291 /nfs/dbraw/zinc/28/82/91/569288291.db2.gz NBUQIWBALLSPHG-NHCUHLMSSA-N 1 1 419.610 3.158 50 0 HGAAMO CC(C)Cn1nc(C(=O)N(C)CCC[N@@H+](C)Cc2ccncc2)c2ccccc2c1=O ZINC000328591890 569415157 /nfs/dbraw/zinc/41/51/57/569415157.db2.gz MOUOKRXZZQHCLZ-UHFFFAOYSA-N 1 1 421.545 3.042 50 0 HGAAMO CC(C)n1ncc2cc(S(=O)(=O)NC[C@@H](c3cccc(F)c3)[NH+](C)C)ccc21 ZINC000079111034 569428074 /nfs/dbraw/zinc/42/80/74/569428074.db2.gz MQZALQCVFRGJPW-FQEVSTJZSA-N 1 1 404.511 3.338 50 0 HGAAMO CCC[N@@H+]1CCc2nc(SCC(=O)Nc3cccc(SC)c3)[nH]c(=O)c2C1 ZINC000067291794 571068094 /nfs/dbraw/zinc/06/80/94/571068094.db2.gz NIVILRKPWTYQNA-UHFFFAOYSA-N 1 1 404.561 3.403 50 0 HGAAMO CCC[N@H+]1CCc2nc(SCC(=O)Nc3cccc(SC)c3)[nH]c(=O)c2C1 ZINC000067291794 571068096 /nfs/dbraw/zinc/06/80/96/571068096.db2.gz NIVILRKPWTYQNA-UHFFFAOYSA-N 1 1 404.561 3.403 50 0 HGAAMO CCC[N@@H+]1CCc2nc(SCC(=O)NCc3ccc(Cl)cc3)[nH]c(=O)c2C1 ZINC000067291833 571068113 /nfs/dbraw/zinc/06/81/13/571068113.db2.gz DRWNESAXYNMWNO-UHFFFAOYSA-N 1 1 406.939 3.012 50 0 HGAAMO CCC[N@H+]1CCc2nc(SCC(=O)NCc3ccc(Cl)cc3)[nH]c(=O)c2C1 ZINC000067291833 571068116 /nfs/dbraw/zinc/06/81/16/571068116.db2.gz DRWNESAXYNMWNO-UHFFFAOYSA-N 1 1 406.939 3.012 50 0 HGAAMO CN1CC[NH+](Cc2ccccc2CNC(=O)c2ccc(Br)cc2F)CC1 ZINC000040089786 571159778 /nfs/dbraw/zinc/15/97/78/571159778.db2.gz DVJYMDQUSIWCTK-UHFFFAOYSA-N 1 1 420.326 3.266 50 0 HGAAMO C[C@@H]1C[C@H](C)C[N@@H+](Cc2csc(NC(=O)CNC(=O)Cc3cccc(F)c3)n2)C1 ZINC000040145275 571195589 /nfs/dbraw/zinc/19/55/89/571195589.db2.gz HCUCCDYUPLVMJT-GASCZTMLSA-N 1 1 418.538 3.058 50 0 HGAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2csc(NC(=O)CNC(=O)Cc3cccc(F)c3)n2)C1 ZINC000040145275 571195591 /nfs/dbraw/zinc/19/55/91/571195591.db2.gz HCUCCDYUPLVMJT-GASCZTMLSA-N 1 1 418.538 3.058 50 0 HGAAMO Cc1cc(=O)n2c(n1)NC(N1CCC(Cc3ccccc3)CC1)=[NH+][C@H]2c1cccnc1 ZINC000009264563 571244028 /nfs/dbraw/zinc/24/40/28/571244028.db2.gz NAIHLQLVBJLREU-JOCHJYFZSA-N 1 1 414.513 3.230 50 0 HGAAMO CCn1c(=O)cc(SCC(=O)NCC[N@@H+]2CCc3ccccc3C2)c2ccccc21 ZINC000020285115 571314621 /nfs/dbraw/zinc/31/46/21/571314621.db2.gz LSVKGOVCZHJUPI-UHFFFAOYSA-N 1 1 421.566 3.288 50 0 HGAAMO CCn1c(=O)cc(SCC(=O)NCC[N@H+]2CCc3ccccc3C2)c2ccccc21 ZINC000020285115 571314623 /nfs/dbraw/zinc/31/46/23/571314623.db2.gz LSVKGOVCZHJUPI-UHFFFAOYSA-N 1 1 421.566 3.288 50 0 HGAAMO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000007246040 132323159 /nfs/dbraw/zinc/32/31/59/132323159.db2.gz URKFBDHTLZXFAP-QFIPXVFZSA-N 1 1 409.530 3.190 50 0 HGAAMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000007246040 132323161 /nfs/dbraw/zinc/32/31/61/132323161.db2.gz URKFBDHTLZXFAP-QFIPXVFZSA-N 1 1 409.530 3.190 50 0 HGAAMO COC(=O)[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccc(C(C)(C)C)cc2)c2ccccc2O1 ZINC000011201926 132347793 /nfs/dbraw/zinc/34/77/93/132347793.db2.gz JGGCSOXETFTJLT-NRFANRHFSA-N 1 1 410.514 3.383 50 0 HGAAMO COC(=O)[C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccc(C(C)(C)C)cc2)c2ccccc2O1 ZINC000011201926 132347794 /nfs/dbraw/zinc/34/77/94/132347794.db2.gz JGGCSOXETFTJLT-NRFANRHFSA-N 1 1 410.514 3.383 50 0 HGAAMO O[C@H](COc1ccc(CN2CCN(c3ccccc3)CC2)cc1)C[NH+]1CCCCC1 ZINC000011667619 132349092 /nfs/dbraw/zinc/34/90/92/132349092.db2.gz PIDITBXHUCRDFI-DEOSSOPVSA-N 1 1 409.574 3.234 50 0 HGAAMO c1ccc(N2CCN(Cc3ccc4c(c3)C[N@@H+](C3CCSCC3)CCO4)CC2)nc1 ZINC000011911131 132352155 /nfs/dbraw/zinc/35/21/55/132352155.db2.gz QQGIBJQOLFXTQN-UHFFFAOYSA-N 1 1 424.614 3.494 50 0 HGAAMO C[N@@H+](CCc1ccccc1)[C@H]1CCCN(C(=O)c2cccc(N3CCOCC3)c2)C1 ZINC000011936884 132352431 /nfs/dbraw/zinc/35/24/31/132352431.db2.gz UPRWDFFFWPSTNP-DEOSSOPVSA-N 1 1 407.558 3.302 50 0 HGAAMO Cc1cc(C)nc(N2CCC(CCC(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC000012574770 132364447 /nfs/dbraw/zinc/36/44/47/132364447.db2.gz DSQOCKVFRGGSFQ-HSZRJFAPSA-N 1 1 421.589 3.481 50 0 HGAAMO O=C(CC[NH+]1CCN(c2ncccn2)CC1)Nc1ccccc1Oc1ccccc1 ZINC000012852702 132367887 /nfs/dbraw/zinc/36/78/87/132367887.db2.gz XMJYTLBNUXBMCH-UHFFFAOYSA-N 1 1 403.486 3.420 50 0 HGAAMO CCN(CC)S(=O)(=O)c1ccc(NC(=O)C[N@@H+](C)[C@@H]2CCc3ccccc32)cc1 ZINC000029482826 520800193 /nfs/dbraw/zinc/80/01/93/520800193.db2.gz HHUMPMTVYBLUSV-OAQYLSRUSA-N 1 1 415.559 3.275 50 0 HGAAMO C[NH+](C)[C@@H](CNC(=O)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1ccco1 ZINC000044514951 522023843 /nfs/dbraw/zinc/02/38/43/522023843.db2.gz HIYYAWKLQNEKLU-BBRMVZONSA-N 1 1 409.408 3.070 50 0 HGAAMO COc1cc(CN2CC[N@@H+](Cc3ccc(OC)c(C)c3)[C@@H](CCO)C2)cc(OC)c1 ZINC000020535242 522383135 /nfs/dbraw/zinc/38/31/35/522383135.db2.gz VZTBIYLJWIMUCY-NRFANRHFSA-N 1 1 414.546 3.090 50 0 HGAAMO COc1cc(CN2CC[N@H+](Cc3ccc(F)cc3)[C@@H](CCO)C2)cc(Cl)c1O ZINC000020539037 522384019 /nfs/dbraw/zinc/38/40/19/522384019.db2.gz GMVOZDVFWRWNLB-SFHVURJKSA-N 1 1 408.901 3.262 50 0 HGAAMO COc1cc(CN2CC[N@@H+](Cc3ccc(F)cc3)[C@@H](CCO)C2)cc(Cl)c1O ZINC000020539037 522384030 /nfs/dbraw/zinc/38/40/30/522384030.db2.gz GMVOZDVFWRWNLB-SFHVURJKSA-N 1 1 408.901 3.262 50 0 HGAAMO COc1ccc(-c2nc(C(=O)NCCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cs2)cc1OC ZINC000032903360 523190572 /nfs/dbraw/zinc/19/05/72/523190572.db2.gz MYJROGVPDJNEID-GASCZTMLSA-N 1 1 419.547 3.056 50 0 HGAAMO COc1ccc(-n2cc(C[N@@H+](C)CCN3CCOCC3)c(-c3cccc(F)c3)n2)cc1 ZINC000020536691 523329741 /nfs/dbraw/zinc/32/97/41/523329741.db2.gz NIYRCYDBIPCLTD-UHFFFAOYSA-N 1 1 424.520 3.451 50 0 HGAAMO C[N@@H+](Cc1ccccc1NC(=O)Cn1nnc2ccccc2c1=O)C1CCCCC1 ZINC000032900675 523376133 /nfs/dbraw/zinc/37/61/33/523376133.db2.gz NACVPIFLSIXZMB-UHFFFAOYSA-N 1 1 405.502 3.195 50 0 HGAAMO C[N@H+]1CCCN(C(=O)c2csc(NC(=O)c3cccc(C(F)(F)F)c3)n2)CC1 ZINC000040355598 523808492 /nfs/dbraw/zinc/80/84/92/523808492.db2.gz SGGMQXYEWZNHPF-UHFFFAOYSA-N 1 1 412.437 3.192 50 0 HGAAMO Cc1cccc(C[NH+]2CCN(C(=O)COc3ccc(Br)cc3)CC2)c1 ZINC000019790034 524395576 /nfs/dbraw/zinc/39/55/76/524395576.db2.gz QAJYQWLOYHPOTA-UHFFFAOYSA-N 1 1 403.320 3.481 50 0 HGAAMO COc1ccccc1[C@H](CNC(=O)C1CCN(C(=O)c2ccsc2)CC1)[NH+](C)C ZINC000032695601 524791619 /nfs/dbraw/zinc/79/16/19/524791619.db2.gz HJFJNULCKSDYIJ-IBGZPJMESA-N 1 1 415.559 3.028 50 0 HGAAMO Cc1cccc2c(=O)n(CCCC(=O)N[C@H]3CCC[N@@H+](Cc4ccccc4)C3)cnc12 ZINC000032912080 524926744 /nfs/dbraw/zinc/92/67/44/524926744.db2.gz JNYXSSIQONWVBN-NRFANRHFSA-N 1 1 418.541 3.266 50 0 HGAAMO O=C(CCCCCn1cnc2ccccc2c1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020547837 526425277 /nfs/dbraw/zinc/42/52/77/526425277.db2.gz ZECHDJGZXVUXHZ-UHFFFAOYSA-N 1 1 418.541 3.301 50 0 HGAAMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000032873760 527046224 /nfs/dbraw/zinc/04/62/24/527046224.db2.gz SQLQDFGOPBPPBE-UNMCSNQZSA-N 1 1 409.505 3.069 50 0 HGAAMO O=C(Cn1ccccc1=O)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000032809449 527385793 /nfs/dbraw/zinc/38/57/93/527385793.db2.gz FEUNYJXUNARQHN-UHFFFAOYSA-N 1 1 411.502 3.060 50 0 HGAAMO COc1cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)cc(OC)c1OC ZINC000004811265 536532041 /nfs/dbraw/zinc/53/20/41/536532041.db2.gz VZFIZDCSLAEJNT-UHFFFAOYSA-N 1 1 419.909 3.370 50 0 HGAAMO Cc1ccc(N2CC[NH+](C[C@H]3CN(C(=O)Nc4ccccc4)CCO3)CC2)cc1C ZINC000034685888 557388300 /nfs/dbraw/zinc/38/83/00/557388300.db2.gz XWPIDKDJVTXWAO-QHCPKHFHSA-N 1 1 408.546 3.358 50 0 HGAAMO CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CCc3sccc3[C@@H]2c2ccccc2C)CC1 ZINC000034830313 557465916 /nfs/dbraw/zinc/46/59/16/557465916.db2.gz NHZCYZIPAKKYQU-JTSKRJEESA-N 1 1 411.571 3.083 50 0 HGAAMO COc1ccc(CNCc2ccc(F)c(F)c2)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000011764532 558273656 /nfs/dbraw/zinc/27/36/56/558273656.db2.gz BVAUKCJFARKTPQ-IBGZPJMESA-N 1 1 420.500 3.489 50 0 HGAAMO COC(=O)c1ccc(C[N@H+]2CCC[C@@H](N3CCN(c4ccccc4F)CC3)C2)cc1 ZINC000019865629 558298885 /nfs/dbraw/zinc/29/88/85/558298885.db2.gz CAEDPSCGYQYFGJ-OAQYLSRUSA-N 1 1 411.521 3.399 50 0 HGAAMO OCC[C@H]1CN(Cc2c[nH]nc2-c2cccc(F)c2)CC[N@H+]1CCc1ccccc1 ZINC000020208027 558347173 /nfs/dbraw/zinc/34/71/73/558347173.db2.gz HPVYDAIYVOGLBM-QHCPKHFHSA-N 1 1 408.521 3.327 50 0 HGAAMO CC(C)C[C@H](NC(=O)c1cccnc1)c1nnc2n1CC[N@H+](Cc1cccs1)CC2 ZINC000012190945 558347632 /nfs/dbraw/zinc/34/76/32/558347632.db2.gz CQNWNUOAQGTHBD-IBGZPJMESA-N 1 1 424.574 3.310 50 0 HGAAMO COc1cccc(-c2nn(-c3ccccc3)cc2C[N@@H+](C)CCN2CCOCC2)c1 ZINC000020271698 558353093 /nfs/dbraw/zinc/35/30/93/558353093.db2.gz XSPLBICMFOKPGT-UHFFFAOYSA-N 1 1 406.530 3.312 50 0 HGAAMO OCC[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CCN1Cc1ccccc1F ZINC000020449884 558364779 /nfs/dbraw/zinc/36/47/79/558364779.db2.gz DVXACFQKSYIZKQ-OAQYLSRUSA-N 1 1 412.484 3.424 50 0 HGAAMO OCC[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CCN1Cc1ccccc1F ZINC000020449884 558364780 /nfs/dbraw/zinc/36/47/80/558364780.db2.gz DVXACFQKSYIZKQ-OAQYLSRUSA-N 1 1 412.484 3.424 50 0 HGAAMO CC[NH+]1CCN(C(=O)CCC2CCN(C(=O)c3ccc(SC)cc3)CC2)CC1 ZINC000020451036 558365611 /nfs/dbraw/zinc/36/56/11/558365611.db2.gz SMXOZXBSPKOFEC-UHFFFAOYSA-N 1 1 403.592 3.205 50 0 HGAAMO O=C(NCc1ccc(Cl)s1)[C@H]1CCC[N@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000012299407 558369522 /nfs/dbraw/zinc/36/95/22/558369522.db2.gz UWOFXAOPZJVUGK-HNNXBMFYSA-N 1 1 409.983 3.131 50 0 HGAAMO COc1cc(OC)cc(C(=O)NC[C@@H]2CCC[N@H+](Cc3nc4ccccc4[nH]3)C2)c1 ZINC000012304783 558373834 /nfs/dbraw/zinc/37/38/34/558373834.db2.gz GSIGRXBECGXWGM-INIZCTEOSA-N 1 1 408.502 3.222 50 0 HGAAMO COc1cc(OC)cc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3nc4ccccc4[nH]3)C2)c1 ZINC000012304783 558373837 /nfs/dbraw/zinc/37/38/37/558373837.db2.gz GSIGRXBECGXWGM-INIZCTEOSA-N 1 1 408.502 3.222 50 0 HGAAMO O=C(CN1CC[NH+](CCO)CC1)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000020494212 558379517 /nfs/dbraw/zinc/37/95/17/558379517.db2.gz QAIGXBQKTNJMDG-UHFFFAOYSA-N 1 1 403.935 3.079 50 0 HGAAMO O=S(=O)(Cc1ccccc1)NC[C@H]1CCC[N@@H+](Cc2cccn2-c2ccccn2)C1 ZINC000012318952 558381623 /nfs/dbraw/zinc/38/16/23/558381623.db2.gz PTQKDRJDTOQMAI-OAQYLSRUSA-N 1 1 424.570 3.204 50 0 HGAAMO COc1ccc(C[N@H+]2CCN(Cc3nc4ccccc4[nH]3)C[C@@H]2CCO)c(C)c1C ZINC000020534542 558385685 /nfs/dbraw/zinc/38/56/85/558385685.db2.gz OWJFQUKPIKRMDK-FQEVSTJZSA-N 1 1 408.546 3.257 50 0 HGAAMO Cc1c2cc3c(cc2oc(=O)c1CC(=O)N1CC[NH+](C)CC1)OC1(CCCCC1)CC3 ZINC000020622114 558394119 /nfs/dbraw/zinc/39/41/19/558394119.db2.gz PIFHNIPXCUJXSB-UHFFFAOYSA-N 1 1 424.541 3.446 50 0 HGAAMO COC(=O)CCC(=O)N(Cc1cccnc1)C[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000012434441 558408298 /nfs/dbraw/zinc/40/82/98/558408298.db2.gz ZQATVTJYZAYCJN-HXUWFJFHSA-N 1 1 401.551 3.408 50 0 HGAAMO Cc1cccc(CN2CCC([N@H+]3CCC[C@@H](C(=O)NCc4cccnc4)C3)CC2)c1 ZINC000012434860 558408552 /nfs/dbraw/zinc/40/85/52/558408552.db2.gz LARRWWBIHAOMMI-HSZRJFAPSA-N 1 1 406.574 3.383 50 0 HGAAMO O=C(NC[C@@H]1CCC[N@@H+](CCCn2cccn2)C1)C1(c2ccc(Cl)cc2)CC1 ZINC000012439418 558410881 /nfs/dbraw/zinc/41/08/81/558410881.db2.gz WWJDUPWHAJUPFE-SFHVURJKSA-N 1 1 400.954 3.487 50 0 HGAAMO C[NH+]1CCN(C(=O)CC[C@H]2CCCN(C(=O)CCc3cccc(Cl)c3)C2)CC1 ZINC000020774806 558411891 /nfs/dbraw/zinc/41/18/91/558411891.db2.gz UNOMZCTXSUFABQ-LJQANCHMSA-N 1 1 405.970 3.065 50 0 HGAAMO CN(Cc1cnc(N2CCOCC2)s1)[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000020782954 558413194 /nfs/dbraw/zinc/41/31/94/558413194.db2.gz RKDUHMLSVWGTNS-FQEVSTJZSA-N 1 1 412.603 3.043 50 0 HGAAMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2cc3ccc(F)cc3n(Cc3ccncc3)c2=O)C1 ZINC000012452035 558416150 /nfs/dbraw/zinc/41/61/50/558416150.db2.gz SDTMPVAVISFPQK-IBGZPJMESA-N 1 1 423.488 3.359 50 0 HGAAMO CCn1nc(C)c(C[N@H+]2CCC[C@H](CNC(=O)c3cccc(OC)c3OC)C2)c1C ZINC000012459755 558418773 /nfs/dbraw/zinc/41/87/73/558418773.db2.gz RMXBSCWMKVOEDJ-GOSISDBHSA-N 1 1 414.550 3.179 50 0 HGAAMO COc1ccccc1C(=O)[C@@H]1CCC[N@H+](Cc2cnc(N3CCOCC3)s2)C1 ZINC000020996373 558426851 /nfs/dbraw/zinc/42/68/51/558426851.db2.gz QVYQVBWMWYQKOI-MRXNPFEDSA-N 1 1 401.532 3.083 50 0 HGAAMO COc1ccccc1C(=O)[C@@H]1CCC[N@@H+](Cc2cnc(N3CCOCC3)s2)C1 ZINC000020996373 558426852 /nfs/dbraw/zinc/42/68/52/558426852.db2.gz QVYQVBWMWYQKOI-MRXNPFEDSA-N 1 1 401.532 3.083 50 0 HGAAMO OCC[C@H]1CN(Cc2cccn2-c2ccccn2)CC[N@H+]1CCCc1ccccc1 ZINC000020999523 558428142 /nfs/dbraw/zinc/42/81/42/558428142.db2.gz FLEIRCGQUJPVGX-QHCPKHFHSA-N 1 1 404.558 3.374 50 0 HGAAMO Cc1cccc(-c2nc3c4ccccc4nc(NCCC[NH+]4CCOCC4)n3n2)c1 ZINC000021158038 558432702 /nfs/dbraw/zinc/43/27/02/558432702.db2.gz MOTRDEPQEMMJEA-UHFFFAOYSA-N 1 1 402.502 3.387 50 0 HGAAMO CN(C(=O)C1CC[NH+](C2CCN(CCCc3ccccc3)CC2)CC1)[C@H]1CCOC1 ZINC000012703352 558448485 /nfs/dbraw/zinc/44/84/85/558448485.db2.gz MJUHZDHRHGVFLM-DEOSSOPVSA-N 1 1 413.606 3.043 50 0 HGAAMO CN(C(=O)C1CCN(C2CC[NH+](CCCc3ccccc3)CC2)CC1)[C@H]1CCOC1 ZINC000012703352 558448487 /nfs/dbraw/zinc/44/84/87/558448487.db2.gz MJUHZDHRHGVFLM-DEOSSOPVSA-N 1 1 413.606 3.043 50 0 HGAAMO CCN(C[C@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1)C(=O)C1=C(C)OCCO1 ZINC000012716000 558455203 /nfs/dbraw/zinc/45/52/03/558455203.db2.gz QKAICAXVWIDWPR-FQEVSTJZSA-N 1 1 402.535 3.077 50 0 HGAAMO [NH2+]=C1Nc2nc3cc4c(cc3n2[C@H](c2ccc(OC(F)(F)F)cc2)N1)OCCCO4 ZINC000022018308 558457967 /nfs/dbraw/zinc/45/79/67/558457967.db2.gz QBKMMXJDBRWVIS-MRXNPFEDSA-N 1 1 419.363 3.193 50 0 HGAAMO COc1ccc(-n2cc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c(-c3cccc(F)c3)n2)cc1 ZINC000012746111 558458169 /nfs/dbraw/zinc/45/81/69/558458169.db2.gz QVOOCEXZRGJUIY-QGZVFWFLSA-N 1 1 408.477 3.384 50 0 HGAAMO COc1ccc(CN2CCSCC2)cc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000012754989 558459849 /nfs/dbraw/zinc/45/98/49/558459849.db2.gz HPWABOBNVGSHDH-NRFANRHFSA-N 1 1 416.587 3.116 50 0 HGAAMO COc1ccc(CN2CCSCC2)cc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000012754995 558459915 /nfs/dbraw/zinc/45/99/15/558459915.db2.gz HPWABOBNVGSHDH-OAQYLSRUSA-N 1 1 416.587 3.116 50 0 HGAAMO C[C@H]1C[C@H](C)C[NH+](Cc2csc(NC(=O)c3ccc4c(c3)OCC(=O)N4)n2)C1 ZINC000022296699 558477108 /nfs/dbraw/zinc/47/71/08/558477108.db2.gz BGSVFLARCJCLSQ-STQMWFEESA-N 1 1 400.504 3.204 50 0 HGAAMO COc1cccc(OC)c1OC[C@@H](O)C[NH+]1CCN(c2cc(Cl)ccc2C)CC1 ZINC000022298882 558477256 /nfs/dbraw/zinc/47/72/56/558477256.db2.gz NJXJNGGFTHHIIH-SFHVURJKSA-N 1 1 420.937 3.228 50 0 HGAAMO CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)CN1CC[NH+](C)CC1 ZINC000022462059 558490915 /nfs/dbraw/zinc/49/09/15/558490915.db2.gz KNLPZXAUGWUVLC-UHFFFAOYSA-N 1 1 421.950 3.431 50 0 HGAAMO O=S(=O)(NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000012993018 558497058 /nfs/dbraw/zinc/49/70/58/558497058.db2.gz GUOYNZUNKPULIU-UHFFFAOYSA-N 1 1 415.342 3.304 50 0 HGAAMO Cc1ccc(Nc2nc(N)nc(CN3CC[NH+](C/C=C/c4ccccc4)CC3)n2)cc1 ZINC000022812442 558514391 /nfs/dbraw/zinc/51/43/91/558514391.db2.gz AVNQQNLYJUQWBH-VMPITWQZSA-N 1 1 415.545 3.337 50 0 HGAAMO CCC(CC)[C@H](CNC(=O)c1ccc(OC)c(Br)c1)[NH+]1CCOCC1 ZINC000022898837 558519146 /nfs/dbraw/zinc/51/91/46/558519146.db2.gz PMINKLDUGQOPRC-KRWDZBQOSA-N 1 1 413.356 3.325 50 0 HGAAMO Cn1nc(-c2ccc(Cl)cc2)cc1NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000022917811 558522209 /nfs/dbraw/zinc/52/22/09/558522209.db2.gz VTAZFGQJZYZFFK-UHFFFAOYSA-N 1 1 423.948 3.497 50 0 HGAAMO C[NH+]1CCN([C@@H](CNC(=O)c2cc(-c3ccc(Cl)cc3)on2)c2ccco2)CC1 ZINC000022938348 558527451 /nfs/dbraw/zinc/52/74/51/558527451.db2.gz BZHROFVIGRQNMB-SFHVURJKSA-N 1 1 414.893 3.307 50 0 HGAAMO Cc1ccc([C@H](CNC(=O)c2cc(=O)c3c(C)cc(C)cc3o2)N2CC[NH+](C)CC2)o1 ZINC000022938453 558527474 /nfs/dbraw/zinc/52/74/74/558527474.db2.gz ZZOHPRYQMODKPN-SFHVURJKSA-N 1 1 423.513 3.030 50 0 HGAAMO COc1cc(CN2CC[N@H+](Cc3cccc(SC)c3)C[C@@H]2CCO)cc(OC)c1 ZINC000023372997 558553137 /nfs/dbraw/zinc/55/31/37/558553137.db2.gz AHHFUKANQIHYAP-FQEVSTJZSA-N 1 1 416.587 3.495 50 0 HGAAMO COc1cc(CN2CC[N@@H+](Cc3cccc(SC)c3)C[C@@H]2CCO)cc(OC)c1 ZINC000023372997 558553138 /nfs/dbraw/zinc/55/31/38/558553138.db2.gz AHHFUKANQIHYAP-FQEVSTJZSA-N 1 1 416.587 3.495 50 0 HGAAMO CCc1ccc(C[N@H+]2CCC[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)o1 ZINC000023375007 558554482 /nfs/dbraw/zinc/55/44/82/558554482.db2.gz CABYTVMWCWYOSE-FQEVSTJZSA-N 1 1 411.546 3.353 50 0 HGAAMO CCc1ccc(CN2CCC[C@H]([NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)o1 ZINC000023375007 558554485 /nfs/dbraw/zinc/55/44/85/558554485.db2.gz CABYTVMWCWYOSE-FQEVSTJZSA-N 1 1 411.546 3.353 50 0 HGAAMO O=C(CN1CC[N@H+]2CCC[C@@H]2C1)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000023477217 558559506 /nfs/dbraw/zinc/55/95/06/558559506.db2.gz ALOYOTUGGBJXNF-OAHLLOKOSA-N 1 1 421.364 3.291 50 0 HGAAMO CC(=O)N1CCC[C@H](C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1 ZINC000024061131 558587224 /nfs/dbraw/zinc/58/72/24/558587224.db2.gz PEXPSQKPCGPNHD-QHCPKHFHSA-N 1 1 405.542 3.179 50 0 HGAAMO CCc1c(C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)cnn1-c1cccc(Cl)c1 ZINC000024571143 558601232 /nfs/dbraw/zinc/60/12/32/558601232.db2.gz HIDCWGAMYLGFRM-GOSISDBHSA-N 1 1 404.942 3.175 50 0 HGAAMO CCn1c(SCC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)nnc1-c1ccco1 ZINC000024762593 558611067 /nfs/dbraw/zinc/61/10/67/558611067.db2.gz OGIXFFLAHYLXLM-KRWDZBQOSA-N 1 1 411.531 3.041 50 0 HGAAMO CC(C)c1ccc(CN(C(=O)C2CC[NH+]([C@@H]3CCS(=O)(=O)C3)CC2)C2CC2)cc1 ZINC000025052925 558629037 /nfs/dbraw/zinc/62/90/37/558629037.db2.gz LOXGOXVDOZUNIH-JOCHJYFZSA-N 1 1 418.603 3.200 50 0 HGAAMO Cc1ccccc1C(=O)N1CCC(C(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000025631781 558646447 /nfs/dbraw/zinc/64/64/47/558646447.db2.gz NIZIJRSVMISBIE-HXUWFJFHSA-N 1 1 419.569 3.410 50 0 HGAAMO COc1ccc(C[N@@H+](C)C[C@@H](O)COc2cccc(Br)c2)cc1OC ZINC000014245977 558646966 /nfs/dbraw/zinc/64/69/66/558646966.db2.gz MTBPKQILBWFYII-MRXNPFEDSA-N 1 1 410.308 3.338 50 0 HGAAMO Cc1cc(O[C@@H](C)C(=O)NCC2(N3CC[NH+](C)CC3)CCCCC2)ccc1Cl ZINC000027744314 558681097 /nfs/dbraw/zinc/68/10/97/558681097.db2.gz OQNPEZFMHQZZMC-SFHVURJKSA-N 1 1 407.986 3.482 50 0 HGAAMO CCOC(=O)C1(Cc2ccc(OC)cc2)CCN(C(=O)[C@@H]2CCCCC[N@H+]2C)CC1 ZINC000014971119 558687248 /nfs/dbraw/zinc/68/72/48/558687248.db2.gz APANZZFAZYPOBH-NRFANRHFSA-N 1 1 416.562 3.284 50 0 HGAAMO CN1C(=O)c2ccc(C(=O)N3CC[NH+](Cc4csc5ccccc45)CC3)cc2C1=O ZINC000029980379 558725426 /nfs/dbraw/zinc/72/54/26/558725426.db2.gz QRGIULQTHLATCJ-UHFFFAOYSA-N 1 1 419.506 3.085 50 0 HGAAMO C[C@H](NC(=O)Cc1cccc2ccccc21)C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000030029401 558726453 /nfs/dbraw/zinc/72/64/53/558726453.db2.gz CZHMCTYIYXQCGY-YADARESESA-N 1 1 415.537 3.402 50 0 HGAAMO C[C@H](NC(=O)Cc1cccc2ccccc21)C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000030029401 558726455 /nfs/dbraw/zinc/72/64/55/558726455.db2.gz CZHMCTYIYXQCGY-YADARESESA-N 1 1 415.537 3.402 50 0 HGAAMO COc1ccc([C@H]2CCC[N@H+]2CC(=O)N2CCN(CCOc3ccccc3)CC2)cc1 ZINC000015300700 558731111 /nfs/dbraw/zinc/73/11/11/558731111.db2.gz DUCGDSYLMDPAHA-XMMPIXPASA-N 1 1 423.557 3.055 50 0 HGAAMO O=C(C[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1)NCCc1cccs1 ZINC000030590261 558733596 /nfs/dbraw/zinc/73/35/96/558733596.db2.gz VZYZLICLAKJXKV-GOSISDBHSA-N 1 1 400.548 3.083 50 0 HGAAMO O=C(C[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1)NCCc1cccs1 ZINC000030590261 558733598 /nfs/dbraw/zinc/73/35/98/558733598.db2.gz VZYZLICLAKJXKV-GOSISDBHSA-N 1 1 400.548 3.083 50 0 HGAAMO Cc1cccc(C)c1N1C(=O)C[C@@H]([NH+]2CCC(C(=O)Nc3ccccc3)CC2)C1=O ZINC000015470090 558740491 /nfs/dbraw/zinc/74/04/91/558740491.db2.gz MDGDOIWAOLMCHL-HXUWFJFHSA-N 1 1 405.498 3.286 50 0 HGAAMO Cc1[nH+]ccn1-c1ccc(CNS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)cc1 ZINC000030857088 558741298 /nfs/dbraw/zinc/74/12/98/558741298.db2.gz UQXHHMKIHZAQSQ-UHFFFAOYSA-N 1 1 424.526 3.094 50 0 HGAAMO CC[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Cc1ccc(N2CCCC2=O)cc1 ZINC000072303028 558755587 /nfs/dbraw/zinc/75/55/87/558755587.db2.gz JIESTORFQQGAEV-JOCHJYFZSA-N 1 1 405.542 3.479 50 0 HGAAMO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+]([C@@H](C)C(=O)NCc2ccc(C)cc2)C1 ZINC000072304915 558756758 /nfs/dbraw/zinc/75/67/58/558756758.db2.gz YAYOMZWHQGTVCH-WMZOPIPTSA-N 1 1 413.484 3.123 50 0 HGAAMO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](CCCOc2ccc3c(c2)OCO3)C1 ZINC000072304913 558756794 /nfs/dbraw/zinc/75/67/94/558756794.db2.gz VZBVBJCYFVLQGD-HNNXBMFYSA-N 1 1 416.440 3.307 50 0 HGAAMO CC[N@@H+](C)C[C@@H]1CCN(CC(=O)Nc2ccccc2C(=O)Nc2cccc(C)c2)C1 ZINC000072305276 558759965 /nfs/dbraw/zinc/75/99/65/558759965.db2.gz MFSCUYWPZBWDQR-IBGZPJMESA-N 1 1 408.546 3.459 50 0 HGAAMO Cc1cc(Cl)cc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000016033794 558769266 /nfs/dbraw/zinc/76/92/66/558769266.db2.gz MLICOSSRVQCELY-DDOIHHOZSA-N 1 1 421.884 3.080 50 0 HGAAMO Cc1cc(Cl)cc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016033794 558769270 /nfs/dbraw/zinc/76/92/70/558769270.db2.gz MLICOSSRVQCELY-DDOIHHOZSA-N 1 1 421.884 3.080 50 0 HGAAMO C[C@]1(COC(=O)CCNC(=O)OCC(F)(F)F)CCC[N@H+]1Cc1ccccc1 ZINC000072310751 558777809 /nfs/dbraw/zinc/77/78/09/558777809.db2.gz MJCSJXZMMZAHSV-GOSISDBHSA-N 1 1 402.413 3.263 50 0 HGAAMO CCOC(=O)c1sc2[nH]c([C@H](C)[NH2+]Cc3ccc4c(c3)OCO4)nc(=O)c2c1C ZINC000034866247 558785952 /nfs/dbraw/zinc/78/59/52/558785952.db2.gz NNHRUDJXYMAGOO-NSHDSACASA-N 1 1 415.471 3.049 50 0 HGAAMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(I)cc1 ZINC000032986433 558806522 /nfs/dbraw/zinc/80/65/22/558806522.db2.gz MFBBCGKWKPHSDO-QGZVFWFLSA-N 1 1 406.267 3.296 50 0 HGAAMO CCCn1ncc(CN2CC[N@H+](Cc3ccccc3OCC)[C@H](CCO)C2)c1C ZINC000039490171 558821624 /nfs/dbraw/zinc/82/16/24/558821624.db2.gz SSJDCUGXIXDIMK-JOCHJYFZSA-N 1 1 400.567 3.069 50 0 HGAAMO CCCn1ncc(CN2CC[N@@H+](Cc3ccccc3OCC)[C@H](CCO)C2)c1C ZINC000039490171 558821626 /nfs/dbraw/zinc/82/16/26/558821626.db2.gz SSJDCUGXIXDIMK-JOCHJYFZSA-N 1 1 400.567 3.069 50 0 HGAAMO Cc1cc2nc(C)c(=O)n(CCC(=O)NCCC[N@H+](C)Cc3ccccc3)c2cc1C ZINC000033005663 558827482 /nfs/dbraw/zinc/82/74/82/558827482.db2.gz UMJAXQJNNNFUQC-UHFFFAOYSA-N 1 1 420.557 3.350 50 0 HGAAMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(OC)cc2OC)C1 ZINC000046030434 558839344 /nfs/dbraw/zinc/83/93/44/558839344.db2.gz VOVOVZUFWRNSMP-INIZCTEOSA-N 1 1 400.523 3.174 50 0 HGAAMO COc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)c3cccc(N(C)C)c3)C2)CC1 ZINC000055072671 558871374 /nfs/dbraw/zinc/87/13/74/558871374.db2.gz YJMTXRLTTSKGGX-JOCHJYFZSA-N 1 1 422.573 3.188 50 0 HGAAMO CC(C)C(=O)NC[C@H]1CCC[N@H+](Cc2nnc(-c3cccc(Br)c3)o2)C1 ZINC000060361071 558887593 /nfs/dbraw/zinc/88/75/93/558887593.db2.gz YSDFCNHIWOWXMQ-CQSZACIVSA-N 1 1 421.339 3.483 50 0 HGAAMO CC(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2nnc(-c3cccc(Br)c3)o2)C1 ZINC000060361071 558887594 /nfs/dbraw/zinc/88/75/94/558887594.db2.gz YSDFCNHIWOWXMQ-CQSZACIVSA-N 1 1 421.339 3.483 50 0 HGAAMO CC(C)N1C[C@H](CCN2CC[NH+](C)CC2)C(c2ccccc2)(c2ccccc2)C1=O ZINC000071769347 558910885 /nfs/dbraw/zinc/91/08/85/558910885.db2.gz QVBQPQLUNIZAEJ-DEOSSOPVSA-N 1 1 405.586 3.477 50 0 HGAAMO NC(=O)CC[C@H]1CCC[N@H+](CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000058341303 558920310 /nfs/dbraw/zinc/92/03/10/558920310.db2.gz YRZYYRSCGHTADK-OAHLLOKOSA-N 1 1 403.910 3.194 50 0 HGAAMO NC(=O)CC[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000058341303 558920314 /nfs/dbraw/zinc/92/03/14/558920314.db2.gz YRZYYRSCGHTADK-OAHLLOKOSA-N 1 1 403.910 3.194 50 0 HGAAMO C[C@H]1C[NH+](Cc2ccc(C(=O)N3CCC(Nc4cccnc4)CC3)cc2)C[C@H](C)O1 ZINC000058356016 558921260 /nfs/dbraw/zinc/92/12/60/558921260.db2.gz XJCAOVSAGYQIMO-OALUTQOASA-N 1 1 408.546 3.408 50 0 HGAAMO C[C@H](CNC(=O)NC[C@H]1CCN(c2ccc(F)cc2)C1)[N@H+]1CCc2ccccc2C1 ZINC000058415928 558925205 /nfs/dbraw/zinc/92/52/05/558925205.db2.gz JBJMMQAHGMGAEP-RTBURBONSA-N 1 1 410.537 3.398 50 0 HGAAMO Cc1nc2ncnn2c(C)c1CCC(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000019618210 558946946 /nfs/dbraw/zinc/94/69/46/558946946.db2.gz TXISLIPHSSIDCD-UHFFFAOYSA-N 1 1 420.561 3.142 50 0 HGAAMO Cc1nc(N(C)C)cc(N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)[nH+]1 ZINC000065362231 558972978 /nfs/dbraw/zinc/97/29/78/558972978.db2.gz ZPBOIVJUROSDOO-UHFFFAOYSA-N 1 1 401.514 3.480 50 0 HGAAMO Fc1ccc(-c2nc3cc4c(cc3cc2C[NH+]2CC(N3CCOCC3)C2)OCO4)cc1 ZINC000072428668 558979201 /nfs/dbraw/zinc/97/92/01/558979201.db2.gz IQNHGIHGWDFYFA-UHFFFAOYSA-N 1 1 421.472 3.286 50 0 HGAAMO CCNC(=O)N1CCC[C@H](c2cccc(C(=O)NCC[N@H+]3CCCC[C@@H]3C)c2)C1 ZINC000033264214 558984693 /nfs/dbraw/zinc/98/46/93/558984693.db2.gz PEOVBAMEGAMIDK-RXVVDRJESA-N 1 1 400.567 3.200 50 0 HGAAMO Cc1c[nH]c(CN(C)C(=O)c2cc(C[NH+]3CCC(Cc4ccccc4)CC3)on2)n1 ZINC000067819008 558993372 /nfs/dbraw/zinc/99/33/72/558993372.db2.gz YFZSVKBPWJBKNA-UHFFFAOYSA-N 1 1 407.518 3.433 50 0 HGAAMO O[C@@H](COc1cccc2ccccc21)C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000023118760 559013405 /nfs/dbraw/zinc/01/34/05/559013405.db2.gz NTCWWRSQWYCCOP-OAQYLSRUSA-N 1 1 420.509 3.126 50 0 HGAAMO Cc1cc(I)ccc1NC(=O)C[N@@H+](CCO)C1CCCCC1 ZINC000096979747 559015532 /nfs/dbraw/zinc/01/55/32/559015532.db2.gz NGTJOHBVSUZENR-UHFFFAOYSA-N 1 1 416.303 3.165 50 0 HGAAMO O=C(NCCCC[N@@H+]1CCO[C@H](c2ccccc2)C1)c1cc2ccccc2oc1=O ZINC000023127770 559016103 /nfs/dbraw/zinc/01/61/03/559016103.db2.gz NVJXDHUXMUZDPW-QFIPXVFZSA-N 1 1 406.482 3.377 50 0 HGAAMO O=C(NCCCC[N@H+]1CCO[C@H](c2ccccc2)C1)c1cc2ccccc2oc1=O ZINC000023127770 559016105 /nfs/dbraw/zinc/01/61/05/559016105.db2.gz NVJXDHUXMUZDPW-QFIPXVFZSA-N 1 1 406.482 3.377 50 0 HGAAMO CC(C)(C)NC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000082096798 559037293 /nfs/dbraw/zinc/03/72/93/559037293.db2.gz QZMLAPILGLLVRR-HXUWFJFHSA-N 1 1 414.594 3.030 50 0 HGAAMO Cc1noc(C)c1CNC(=O)[C@@H]1CCC[N@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000082120848 559039315 /nfs/dbraw/zinc/03/93/15/559039315.db2.gz RABBKSBVJBVSCT-JOCHJYFZSA-N 1 1 424.589 3.327 50 0 HGAAMO Cc1nc(CN2CCC([N@H+]3CCC[C@@H](C(=O)NCCc4ccccc4)C3)CC2)co1 ZINC000082121995 559039707 /nfs/dbraw/zinc/03/97/07/559039707.db2.gz VWVNLHDAQUSNMZ-OAQYLSRUSA-N 1 1 410.562 3.018 50 0 HGAAMO CC(C)OC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000082126437 559039887 /nfs/dbraw/zinc/03/98/87/559039887.db2.gz BOSFUQSPQLXBML-FQEVSTJZSA-N 1 1 401.551 3.067 50 0 HGAAMO Cc1ccc(CN2CCC([N@H+]3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)cc1 ZINC000082155619 559041407 /nfs/dbraw/zinc/04/14/07/559041407.db2.gz YFCGPJQKBUBSJX-JOCHJYFZSA-N 1 1 406.574 3.383 50 0 HGAAMO COC(C)(C)CNC(=O)[C@@H]1CCC[N@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000091934469 559074699 /nfs/dbraw/zinc/07/46/99/559074699.db2.gz MEBLYMNQLZPAOY-QGZVFWFLSA-N 1 1 414.550 3.050 50 0 HGAAMO COCC(=O)N1CCc2nc[nH]c2C12CC[NH+](C/C=C(\C)CCC=C(C)C)CC2 ZINC000095497590 559081656 /nfs/dbraw/zinc/08/16/56/559081656.db2.gz ILZULKFTTHSIFO-UFWORHAWSA-N 1 1 400.567 3.425 50 0 HGAAMO Cc1ocnc1C(=O)N(CC[NH+](C)C)C[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC000095505644 559083071 /nfs/dbraw/zinc/08/30/71/559083071.db2.gz GWHPAXRHRUVVJE-GOSISDBHSA-N 1 1 402.514 3.038 50 0 HGAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)Cn1ncc2c1c1cc(C)ccc1oc2=O ZINC000004961750 559217819 /nfs/dbraw/zinc/21/78/19/559217819.db2.gz KXYUNOWGPBNDJA-QGZVFWFLSA-N 1 1 410.518 3.222 50 0 HGAAMO C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000248080578 559261896 /nfs/dbraw/zinc/26/18/96/559261896.db2.gz POGNYJALLLGSEA-QLOTXOPKSA-N 1 1 409.574 3.223 50 0 HGAAMO C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000248080578 559261897 /nfs/dbraw/zinc/26/18/97/559261897.db2.gz POGNYJALLLGSEA-QLOTXOPKSA-N 1 1 409.574 3.223 50 0 HGAAMO O=S(=O)(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1ccc2c(c1)OCO2 ZINC000011999428 559270562 /nfs/dbraw/zinc/27/05/62/559270562.db2.gz FRFJBZDSGMTYLJ-QGZVFWFLSA-N 1 1 408.907 3.184 50 0 HGAAMO CC(C)[N@@H+]1CCc2c(sc(NC(=O)CSc3ccc(F)cc3)c2C(N)=O)C1 ZINC000005192470 559291525 /nfs/dbraw/zinc/29/15/25/559291525.db2.gz VTHYSUCVFGTIJR-UHFFFAOYSA-N 1 1 407.536 3.483 50 0 HGAAMO CC(C)[N@H+]1CCc2c(sc(NC(=O)CSc3ccc(F)cc3)c2C(N)=O)C1 ZINC000005192470 559291527 /nfs/dbraw/zinc/29/15/27/559291527.db2.gz VTHYSUCVFGTIJR-UHFFFAOYSA-N 1 1 407.536 3.483 50 0 HGAAMO CCc1cccc(NC(=O)Cn2c(=O)c3c(nc2-c2ccccc2)CC[N@H+](CC)C3)c1 ZINC000062007136 560566377 /nfs/dbraw/zinc/56/63/77/560566377.db2.gz MISMGEUZMJYXNE-UHFFFAOYSA-N 1 1 416.525 3.489 50 0 HGAAMO COc1ccccc1N1C(=O)C[C@@H]([N@H+](C)Cc2ccc(Br)cc2)C1=O ZINC000103022525 560836900 /nfs/dbraw/zinc/83/69/00/560836900.db2.gz KQNXEKYREFQCNM-MRXNPFEDSA-N 1 1 403.276 3.222 50 0 HGAAMO COc1ccccc1N1C(=O)C[C@@H]([N@@H+](C)Cc2ccc(Br)cc2)C1=O ZINC000103022525 560836902 /nfs/dbraw/zinc/83/69/02/560836902.db2.gz KQNXEKYREFQCNM-MRXNPFEDSA-N 1 1 403.276 3.222 50 0 HGAAMO CCC[N@@H+](Cc1cc(OC)c(OC)c(OC)c1)Cc1cc(=O)n2cccc(C)c2n1 ZINC000045974067 568422773 /nfs/dbraw/zinc/42/27/73/568422773.db2.gz VLJOMJHXUATHMX-UHFFFAOYSA-N 1 1 411.502 3.441 50 0 HGAAMO Cc1ccc2c(CC(=O)NCc3ccc(N4CCC[N@H+](C)CC4)nc3)coc2c1C ZINC000048290800 568435245 /nfs/dbraw/zinc/43/52/45/568435245.db2.gz LDXHFXOYFSSFDD-UHFFFAOYSA-N 1 1 406.530 3.445 50 0 HGAAMO FC(F)(F)c1cccc(-c2noc(CN3CCC[N@@H+](C[C@@H]4CCCO4)CC3)n2)c1 ZINC000048290946 568435337 /nfs/dbraw/zinc/43/53/37/568435337.db2.gz MTTGIXKYTCIZJO-KRWDZBQOSA-N 1 1 410.440 3.442 50 0 HGAAMO C[N@@H+]1CCN(C(=O)CNC(=O)Cc2cccc3ccccc32)[C@H](c2ccccc2)C1 ZINC000048300873 568437392 /nfs/dbraw/zinc/43/73/92/568437392.db2.gz MLSOYWLGDOENTN-QHCPKHFHSA-N 1 1 401.510 3.014 50 0 HGAAMO C[N@H+]1CCN(C(=O)CNC(=O)Cc2cccc3ccccc32)[C@H](c2ccccc2)C1 ZINC000048300873 568437394 /nfs/dbraw/zinc/43/73/94/568437394.db2.gz MLSOYWLGDOENTN-QHCPKHFHSA-N 1 1 401.510 3.014 50 0 HGAAMO Cc1nc2sc(-c3ccccc3)cc2c(N2CCC[C@H]2C(=O)N2CC[NH+](C)CC2)n1 ZINC000048324056 568438104 /nfs/dbraw/zinc/43/81/04/568438104.db2.gz QUBQSJIVWJHPBF-IBGZPJMESA-N 1 1 421.570 3.410 50 0 HGAAMO CC(C)S(=O)(=O)c1ccc(C(=O)NCCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000049675540 568453104 /nfs/dbraw/zinc/45/31/04/568453104.db2.gz TWKVOPMNBHTLNO-UHFFFAOYSA-N 1 1 400.544 3.047 50 0 HGAAMO CSc1ccc(C[N@@H+](C)[C@@H](C)C(=O)NC(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000014931401 568456289 /nfs/dbraw/zinc/45/62/89/568456289.db2.gz SLFCISHXHLQVQT-AWEZNQCLSA-N 1 1 415.515 3.348 50 0 HGAAMO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000021581077 568467407 /nfs/dbraw/zinc/46/74/07/568467407.db2.gz XUNFPXXHAOYLGK-QFIPXVFZSA-N 1 1 416.543 3.053 50 0 HGAAMO COc1ccc([C@@H]2CCC[N@H+]2Cc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000021581077 568467409 /nfs/dbraw/zinc/46/74/09/568467409.db2.gz XUNFPXXHAOYLGK-QFIPXVFZSA-N 1 1 416.543 3.053 50 0 HGAAMO CC1=C2C[C@@H]3[C@H](C[NH+]4CCN(C(=O)c5ccco5)CC4)C(=O)O[C@@H]3C[C@@]2(C)CCC1 ZINC000020112566 568588963 /nfs/dbraw/zinc/58/89/63/568588963.db2.gz UFAAOAUAAMIQQW-YVXPOVKHSA-N 1 1 412.530 3.496 50 0 biogenic HGAAMO C[C@@H]1C[C@@H](NC(=O)COc2ccc(N3CCCC3=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000095408977 568606584 /nfs/dbraw/zinc/60/65/84/568606584.db2.gz RIQLCABSCOHFIC-CTNGQTDRSA-N 1 1 421.541 3.362 50 0 HGAAMO CC[NH+]1CCN(C(=O)CCn2nc(-c3ccccc3OC)c3c2nc(C)cc3C)CC1 ZINC000020437707 568607151 /nfs/dbraw/zinc/60/71/51/568607151.db2.gz VDXPTDHWHXFHGX-UHFFFAOYSA-N 1 1 421.545 3.278 50 0 HGAAMO Fc1cccc(F)c1-c1n[nH]cc1C[N@@H+]1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000095430514 568608976 /nfs/dbraw/zinc/60/89/76/568608976.db2.gz AKBRKIBJZAQWNE-UHFFFAOYSA-N 1 1 414.460 3.323 50 0 HGAAMO Fc1cccc(F)c1-c1n[nH]cc1C[N@H+]1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000095430514 568608977 /nfs/dbraw/zinc/60/89/77/568608977.db2.gz AKBRKIBJZAQWNE-UHFFFAOYSA-N 1 1 414.460 3.323 50 0 HGAAMO COC(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@@H](c3nc4cc(C)ccc4[nH]3)C2)cc1 ZINC000095446866 568612289 /nfs/dbraw/zinc/61/22/89/568612289.db2.gz GAGWEWFPICFKQA-QGZVFWFLSA-N 1 1 406.486 3.476 50 0 HGAAMO COC(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@@H](c3nc4cc(C)ccc4[nH]3)C2)cc1 ZINC000095446866 568612290 /nfs/dbraw/zinc/61/22/90/568612290.db2.gz GAGWEWFPICFKQA-QGZVFWFLSA-N 1 1 406.486 3.476 50 0 HGAAMO COc1cccc(C(=O)N2CCN([C@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)c1OC ZINC000095457069 568617911 /nfs/dbraw/zinc/61/79/11/568617911.db2.gz NJGANIVXBYATLN-NRFANRHFSA-N 1 1 423.557 3.126 50 0 HGAAMO CC[N@@H+](Cc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@@H](C)c1cccc(OC)c1 ZINC000040122945 568621125 /nfs/dbraw/zinc/62/11/25/568621125.db2.gz IGDQLVGRQXJKLH-SFHVURJKSA-N 1 1 418.559 3.299 50 0 HGAAMO COc1ccc(-c2n[nH]c(C)c2CC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000095477133 568630708 /nfs/dbraw/zinc/63/07/08/568630708.db2.gz CORVWUWHYVHIHS-UHFFFAOYSA-N 1 1 404.514 3.281 50 0 HGAAMO COc1cc2oc(=O)cc(C)c2cc1CCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020677607 568639826 /nfs/dbraw/zinc/63/98/26/568639826.db2.gz JASUYGZBQGCQPR-UHFFFAOYSA-N 1 1 420.509 3.387 50 0 HGAAMO COc1ccc(C[N@@H+]2CCc3nc(N4CCC(C)CC4)ncc3C2)c(OC)c1OC ZINC000021039554 568659855 /nfs/dbraw/zinc/65/98/55/568659855.db2.gz KPDSBDGJVLSOCJ-UHFFFAOYSA-N 1 1 412.534 3.297 50 0 HGAAMO COc1ccc(C[N@H+]2CCc3nc(N4CCC(C)CC4)ncc3C2)c(OC)c1OC ZINC000021039554 568659858 /nfs/dbraw/zinc/65/98/58/568659858.db2.gz KPDSBDGJVLSOCJ-UHFFFAOYSA-N 1 1 412.534 3.297 50 0 HGAAMO O=C(NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cc(F)cc(Br)c1 ZINC000096007077 568683152 /nfs/dbraw/zinc/68/31/52/568683152.db2.gz MNVYPNMOGNDWQV-LJQANCHMSA-N 1 1 421.310 3.475 50 0 HGAAMO C[C@@H](C(=O)NCc1ccccc1)[NH+]1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000024991562 568711973 /nfs/dbraw/zinc/71/19/73/568711973.db2.gz HXWIFXQNUXACAT-KRWDZBQOSA-N 1 1 408.498 3.057 50 0 HGAAMO CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000229637942 568714798 /nfs/dbraw/zinc/71/47/98/568714798.db2.gz YIIGAGAETZOJJK-HLIPFELVSA-N 1 1 406.546 3.030 50 0 HGAAMO Cc1nc(N(C)C)cc(N2CCN(C(=O)Nc3ccccc3C(F)(F)F)CC2)[nH+]1 ZINC000021795016 568753831 /nfs/dbraw/zinc/75/38/31/568753831.db2.gz NOIYSRKSICWBHQ-UHFFFAOYSA-N 1 1 408.428 3.224 50 0 HGAAMO CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NC[C@@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000025536115 568774597 /nfs/dbraw/zinc/77/45/97/568774597.db2.gz DFSVNQGRLZNUQZ-RBBKRZOGSA-N 1 1 411.546 3.233 50 0 HGAAMO COc1ccc(-c2n[nH]cc2C(=O)N(C)C[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1OC ZINC000299754482 568782221 /nfs/dbraw/zinc/78/22/21/568782221.db2.gz WCNHTZWYBUIBRT-HKUYNNGSSA-N 1 1 412.534 3.430 50 0 biogenic HGAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@@H]12)[C@@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 ZINC000226848252 568824504 /nfs/dbraw/zinc/82/45/04/568824504.db2.gz HRXDSFDFJZJLED-KHYOSLBOSA-N 1 1 407.917 3.213 50 0 biogenic HGAAMO COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)c1C ZINC000057315436 568826569 /nfs/dbraw/zinc/82/65/69/568826569.db2.gz VIBBHCIGAAZPIA-IRXDYDNUSA-N 1 1 411.502 3.340 50 0 HGAAMO COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)c1C ZINC000057315436 568826571 /nfs/dbraw/zinc/82/65/71/568826571.db2.gz VIBBHCIGAAZPIA-IRXDYDNUSA-N 1 1 411.502 3.340 50 0 HGAAMO C[N@@H+](CCCNC(=O)[C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1)Cc1ccccc1 ZINC000002954381 568829705 /nfs/dbraw/zinc/82/97/05/568829705.db2.gz JNTFYRHEOIIQQV-KRWDZBQOSA-N 1 1 417.912 3.470 50 0 HGAAMO C[N@@H+](CCNC(=O)[C@@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1)Cc1ccccc1 ZINC000002964673 568830822 /nfs/dbraw/zinc/83/08/22/568830822.db2.gz XWLJUKVBSDKQKV-MRXNPFEDSA-N 1 1 403.885 3.080 50 0 HGAAMO C[C@@H]([NH2+]CC(=O)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1)c1ccccc1Cl ZINC000057650874 568857453 /nfs/dbraw/zinc/85/74/53/568857453.db2.gz PJCSYQZAURAILA-WBVHZDCISA-N 1 1 406.935 3.211 50 0 HGAAMO CCCCOc1ccccc1C(=O)N[C@@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000670436569 568874335 /nfs/dbraw/zinc/87/43/35/568874335.db2.gz DJIZPFOKTIFPGW-CNKRIOBRSA-N 1 1 419.569 3.163 50 0 HGAAMO COC(=O)c1cc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]2c2ccsc2)cc(C(=O)OC)c1 ZINC000052803880 568879277 /nfs/dbraw/zinc/87/92/77/568879277.db2.gz YAULYIOEAXKKCI-SCLBCKFNSA-N 1 1 416.499 3.485 50 0 HGAAMO COC(=O)c1cc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]2c2ccsc2)cc(C(=O)OC)c1 ZINC000052803880 568879278 /nfs/dbraw/zinc/87/92/78/568879278.db2.gz YAULYIOEAXKKCI-SCLBCKFNSA-N 1 1 416.499 3.485 50 0 HGAAMO COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]2c2ccsc2)c1 ZINC000052804068 568879355 /nfs/dbraw/zinc/87/93/55/568879355.db2.gz RLFXULZHOGAIOB-SCLBCKFNSA-N 1 1 416.499 3.485 50 0 HGAAMO COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]2c2ccsc2)c1 ZINC000052804068 568879358 /nfs/dbraw/zinc/87/93/58/568879358.db2.gz RLFXULZHOGAIOB-SCLBCKFNSA-N 1 1 416.499 3.485 50 0 HGAAMO COc1cc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)N2CCCCC2)ccc1O ZINC000004063659 568937369 /nfs/dbraw/zinc/93/73/69/568937369.db2.gz WTNJGYFYMAQZAK-TZYHBYERSA-N 1 1 402.535 3.081 50 0 biogenic HGAAMO COc1ccc(CN2CC[N@H+](Cc3cccn3-c3ccccn3)C[C@H]2CCO)c(F)c1 ZINC000107100662 569009150 /nfs/dbraw/zinc/00/91/50/569009150.db2.gz QTWXWSVLEIWZRJ-HXUWFJFHSA-N 1 1 424.520 3.089 50 0 HGAAMO COc1ccc(CN2CC[N@@H+](Cc3cccn3-c3ccccn3)C[C@H]2CCO)c(F)c1 ZINC000107100662 569009151 /nfs/dbraw/zinc/00/91/51/569009151.db2.gz QTWXWSVLEIWZRJ-HXUWFJFHSA-N 1 1 424.520 3.089 50 0 HGAAMO COc1cc2c(cc1OC)C[N@H+](C[C@H](O)COc1ccc(Br)cc1)CC2 ZINC000012904113 569021025 /nfs/dbraw/zinc/02/10/25/569021025.db2.gz IUHWDFPIIVOATI-KRWDZBQOSA-N 1 1 422.319 3.264 50 0 HGAAMO COc1cc2c(cc1OC)C[N@@H+](C[C@H](O)COc1ccc(Br)cc1)CC2 ZINC000012904113 569021026 /nfs/dbraw/zinc/02/10/26/569021026.db2.gz IUHWDFPIIVOATI-KRWDZBQOSA-N 1 1 422.319 3.264 50 0 HGAAMO CCCCNC(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000006264304 569036156 /nfs/dbraw/zinc/03/61/56/569036156.db2.gz ZGZBWUSZKAEWNH-YFXJRYMSSA-N 1 1 404.551 3.288 50 0 biogenic HGAAMO CCCCNC(=O)C[N@H+]1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000006264304 569036157 /nfs/dbraw/zinc/03/61/57/569036157.db2.gz ZGZBWUSZKAEWNH-YFXJRYMSSA-N 1 1 404.551 3.288 50 0 biogenic HGAAMO O=C(Nc1cccc(OC(F)F)c1)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000229849868 569040785 /nfs/dbraw/zinc/04/07/85/569040785.db2.gz SJZWHCIWHXUESG-VQIMIIECSA-N 1 1 405.445 3.293 50 0 HGAAMO CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000240871442 569054630 /nfs/dbraw/zinc/05/46/30/569054630.db2.gz IKPGIWCZSXJBSX-LADGPHEKSA-N 1 1 407.558 3.220 50 0 HGAAMO Cc1noc(C)c1CN1CCc2c(C(=O)NCC[C@@H]3CCC[N@@H+]3C)csc2C1 ZINC000426691369 569073865 /nfs/dbraw/zinc/07/38/65/569073865.db2.gz YIBZPXQYWIQGBJ-INIZCTEOSA-N 1 1 402.564 3.125 50 0 HGAAMO CCOC(=O)C1=C(C[NH+]2CCCCC2)N(CC)C(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000035991537 569074634 /nfs/dbraw/zinc/07/46/34/569074634.db2.gz LYXVOSHMXABUFP-HXUWFJFHSA-N 1 1 401.507 3.085 50 0 HGAAMO COc1ccc(C[N@@H+](C[C@H](O)COCc2ccccc2)C[C@H]2CCCO2)cc1OC ZINC000036096053 569090301 /nfs/dbraw/zinc/09/03/01/569090301.db2.gz ATUKVMYQOHLSII-FCHUYYIVSA-N 1 1 415.530 3.263 50 0 HGAAMO Cc1cccc(C[N@@H+](CCN2CCOCC2)C[C@@H](O)COc2ccc(Cl)cc2)c1 ZINC000036098624 569090849 /nfs/dbraw/zinc/09/08/49/569090849.db2.gz KIUGAXJROOUJAP-JOCHJYFZSA-N 1 1 418.965 3.223 50 0 HGAAMO COc1ccc(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@@H](O)COCC(C)C)cc1 ZINC000036102322 569091821 /nfs/dbraw/zinc/09/18/21/569091821.db2.gz DWBZVXQFUKHYOD-HXUWFJFHSA-N 1 1 401.503 3.460 50 0 HGAAMO CC[C@H](C(=O)NCCC[N@H+]1CCC[C@H](C)C1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064787529 569094322 /nfs/dbraw/zinc/09/43/22/569094322.db2.gz HTVQNNQLGZYRGY-FXAWDEMLSA-N 1 1 423.561 3.078 50 0 HGAAMO CCC[N@@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C[C@@H](O)COCC(C)C ZINC000036158659 569102450 /nfs/dbraw/zinc/10/24/50/569102450.db2.gz GYISJJKTMFTXMB-OAHLLOKOSA-N 1 1 407.580 3.109 50 0 HGAAMO CCC[N@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C[C@@H](O)COCC(C)C ZINC000036158659 569102452 /nfs/dbraw/zinc/10/24/52/569102452.db2.gz GYISJJKTMFTXMB-OAHLLOKOSA-N 1 1 407.580 3.109 50 0 HGAAMO CCC[N@@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C[C@@H](O)COC(C)(C)C ZINC000036158672 569102466 /nfs/dbraw/zinc/10/24/66/569102466.db2.gz FXAADRSBDNQCAZ-CQSZACIVSA-N 1 1 407.580 3.251 50 0 HGAAMO CCC[N@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C[C@@H](O)COC(C)(C)C ZINC000036158672 569102467 /nfs/dbraw/zinc/10/24/67/569102467.db2.gz FXAADRSBDNQCAZ-CQSZACIVSA-N 1 1 407.580 3.251 50 0 HGAAMO CC[C@@H](C)[N@@H+](CCNC(=O)c1ccc2c(c1)nc(C)c(=O)n2C)Cc1cccs1 ZINC000064858972 569109317 /nfs/dbraw/zinc/10/93/17/569109317.db2.gz YJEAKFANTKHVJJ-OAHLLOKOSA-N 1 1 412.559 3.334 50 0 HGAAMO CCCc1cc(=O)oc2c1cc(Cl)c1c2CN(CCC[NH+]2CCOCC2)CO1 ZINC000006759365 569112873 /nfs/dbraw/zinc/11/28/73/569112873.db2.gz IUTODAFKALXPJG-UHFFFAOYSA-N 1 1 406.910 3.273 50 0 HGAAMO O=C([C@H](C1CCCC1)[NH+]1CCN(C(=O)C2CCC2)CC1)N1CCc2ccccc2C1 ZINC000036250504 569119344 /nfs/dbraw/zinc/11/93/44/569119344.db2.gz FZINJQXSDLONIM-QHCPKHFHSA-N 1 1 409.574 3.074 50 0 HGAAMO CCNC(=O)[C@H]1Cc2ccc(OC)cc2N2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]12 ZINC000169679992 569126765 /nfs/dbraw/zinc/12/67/65/569126765.db2.gz XZKSEUOVYCDAFR-UNMCSNQZSA-N 1 1 413.949 3.348 50 0 HGAAMO CCN1CC[NH+](CCCNC(=O)c2ccc3nc(CCc4ccccc4)oc3c2)CC1 ZINC000064968144 569137852 /nfs/dbraw/zinc/13/78/52/569137852.db2.gz PCQJNFZQOQFELS-UHFFFAOYSA-N 1 1 420.557 3.370 50 0 HGAAMO Cc1ccc([C@H]2CC(c3cccc(F)c3)=NN2C(=O)C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000036342521 569142175 /nfs/dbraw/zinc/14/21/75/569142175.db2.gz YCOXXVQOTINYOU-JOCHJYFZSA-N 1 1 422.504 3.009 50 0 HGAAMO COc1ccccc1C1=NN(C(=O)CN2CC[NH+](C)CC2)[C@@H](c2cc(C)ccc2C)C1 ZINC000036344691 569142852 /nfs/dbraw/zinc/14/28/52/569142852.db2.gz KLWVLCSEZASMAO-HSZRJFAPSA-N 1 1 420.557 3.237 50 0 HGAAMO Cc1ccc2ncc(C(=O)NCc3ccccc3C[N@@H+]3CCCC[C@@H]3C)c(=O)n2c1 ZINC000036394103 569168020 /nfs/dbraw/zinc/16/80/20/569168020.db2.gz MNJGNKMXCLGFMG-SFHVURJKSA-N 1 1 404.514 3.307 50 0 HGAAMO CCC[NH+]1CCN(C(=O)c2c(C)oc3ccn(Cc4cccc(F)c4)c(=O)c32)CC1 ZINC000065230434 569200703 /nfs/dbraw/zinc/20/07/03/569200703.db2.gz VMTKTQIRUFKKHK-UHFFFAOYSA-N 1 1 411.477 3.258 50 0 HGAAMO CC(=O)CC(C)(C)NC(=O)CC[NH+]1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000170043426 569221657 /nfs/dbraw/zinc/22/16/57/569221657.db2.gz GRHUCHQSWPIAPZ-UHFFFAOYSA-N 1 1 413.484 3.087 50 0 HGAAMO O=C1Nc2ccccc2[C@@]12[C@@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000037238672 569241445 /nfs/dbraw/zinc/24/14/45/569241445.db2.gz PYRMPYBBYPZIHI-IMIIHFCZSA-N 1 1 423.472 3.271 50 0 biogenic HGAAMO C[C@@H]1CN(C(=O)c2cccc(-n3nccc3-c3ccccc3)c2)CC[N@H+]1CC(C)(C)O ZINC000170602688 569243711 /nfs/dbraw/zinc/24/37/11/569243711.db2.gz DDNVCGNCXUWTBV-LJQANCHMSA-N 1 1 418.541 3.457 50 0 HGAAMO O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)NC[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000170613423 569246913 /nfs/dbraw/zinc/24/69/13/569246913.db2.gz FSFQLCYXLPWMPS-KKSFZXQISA-N 1 1 410.514 3.041 50 0 HGAAMO Cc1nn(C)c(C)c1CCOC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(F)(F)F ZINC000170619589 569248335 /nfs/dbraw/zinc/24/83/35/569248335.db2.gz CPPBHCCTXOFCRT-MOPGFXCFSA-N 1 1 409.452 3.433 50 0 HGAAMO C[C@@H](NC(=O)C[N@H+]1CCC[C@H]1CN1C[C@@H](C)O[C@H](C)C1)c1ccc2c(c1)CCCC2 ZINC000251618576 569260257 /nfs/dbraw/zinc/26/02/57/569260257.db2.gz HKPHTTBPOFZVSX-FIXDAVPBSA-N 1 1 413.606 3.316 50 0 HGAAMO C[C@@H](NC(=O)CN1CCC[C@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc2c(c1)CCCC2 ZINC000251618576 569260259 /nfs/dbraw/zinc/26/02/59/569260259.db2.gz HKPHTTBPOFZVSX-FIXDAVPBSA-N 1 1 413.606 3.316 50 0 HGAAMO COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]2c2ccsc2)c1 ZINC000252452619 569286432 /nfs/dbraw/zinc/28/64/32/569286432.db2.gz RLFXULZHOGAIOB-UGSOOPFHSA-N 1 1 416.499 3.485 50 0 HGAAMO COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@H](C)[N@H+]2CCC[C@H]2c2ccsc2)c1 ZINC000252452619 569286433 /nfs/dbraw/zinc/28/64/33/569286433.db2.gz RLFXULZHOGAIOB-UGSOOPFHSA-N 1 1 416.499 3.485 50 0 HGAAMO C[N@H+](CC(=O)N1CCN(C(=O)c2cccs2)CC1)Cc1ccc(C(C)(C)C)cc1 ZINC000007606279 569295170 /nfs/dbraw/zinc/29/51/70/569295170.db2.gz SYARZVAVQUBTAE-UHFFFAOYSA-N 1 1 413.587 3.462 50 0 HGAAMO C[N@@H+](CC(=O)N1CCN(C(=O)c2cccs2)CC1)Cc1ccc(C(C)(C)C)cc1 ZINC000007606279 569295171 /nfs/dbraw/zinc/29/51/71/569295171.db2.gz SYARZVAVQUBTAE-UHFFFAOYSA-N 1 1 413.587 3.462 50 0 HGAAMO COc1ccc(OC)c([C@H](O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)c1 ZINC000012660494 569402549 /nfs/dbraw/zinc/40/25/49/569402549.db2.gz GREBKDKZYPDUEK-IAGOWNOFSA-N 1 1 401.459 3.094 50 0 biogenic HGAAMO COc1ccc(OC)c([C@H](O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)c1 ZINC000012660494 569402550 /nfs/dbraw/zinc/40/25/50/569402550.db2.gz GREBKDKZYPDUEK-IAGOWNOFSA-N 1 1 401.459 3.094 50 0 biogenic HGAAMO COc1ccc([C@H](O)C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)c(OC)c1 ZINC000012660521 569402593 /nfs/dbraw/zinc/40/25/93/569402593.db2.gz YLFOXWHTQSYROJ-DLBZAZTESA-N 1 1 401.459 3.094 50 0 biogenic HGAAMO COc1ccc([C@H](O)C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)c(OC)c1 ZINC000012660521 569402594 /nfs/dbraw/zinc/40/25/94/569402594.db2.gz YLFOXWHTQSYROJ-DLBZAZTESA-N 1 1 401.459 3.094 50 0 biogenic HGAAMO COCC[N@@H+](C)CC[C@H](NC(=O)C(=O)Nc1ccc(C)cc1Cl)c1ccccc1 ZINC000078751627 569420300 /nfs/dbraw/zinc/42/03/00/569420300.db2.gz IWWJGPKCTQLLAA-IBGZPJMESA-N 1 1 417.937 3.413 50 0 HGAAMO CCOc1cc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)ccc1OC(F)F ZINC000040086160 571156833 /nfs/dbraw/zinc/15/68/33/571156833.db2.gz BEWBRFSJNCAAJP-ZDUSSCGKSA-N 1 1 421.444 3.245 50 0 HGAAMO CCOc1cc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)ccc1OC(F)F ZINC000040086160 571156836 /nfs/dbraw/zinc/15/68/36/571156836.db2.gz BEWBRFSJNCAAJP-ZDUSSCGKSA-N 1 1 421.444 3.245 50 0 HGAAMO CN1CC[NH+](Cc2ccc(NC(=O)Cc3ccc(Br)cc3)cc2)CC1 ZINC000040089756 571159675 /nfs/dbraw/zinc/15/96/75/571159675.db2.gz KTMVVKNBBTWUMW-UHFFFAOYSA-N 1 1 402.336 3.378 50 0 HGAAMO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000009320382 571247971 /nfs/dbraw/zinc/24/79/71/571247971.db2.gz GDODBXYULPSREU-CROMWVBPSA-N 1 1 421.884 3.080 50 0 HGAAMO C[C@@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000009591793 571271873 /nfs/dbraw/zinc/27/18/73/571271873.db2.gz LXQILKMADAEJFZ-MAUKXSAKSA-N 1 1 401.507 3.142 50 0 HGAAMO C[C@@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000009591793 571271874 /nfs/dbraw/zinc/27/18/74/571271874.db2.gz LXQILKMADAEJFZ-MAUKXSAKSA-N 1 1 401.507 3.142 50 0 HGAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1cc(=O)n2c3ccccc3nc2s1 ZINC000033260011 571315974 /nfs/dbraw/zinc/31/59/74/571315974.db2.gz JLTXELSFTPUSNH-UHFFFAOYSA-N 1 1 418.522 3.087 50 0 HGAAMO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000007246045 132323130 /nfs/dbraw/zinc/32/31/30/132323130.db2.gz URKFBDHTLZXFAP-JOCHJYFZSA-N 1 1 409.530 3.190 50 0 HGAAMO COc1ccc(OC)c([C@H]2CCC[N@H+]2CC(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000007246045 132323131 /nfs/dbraw/zinc/32/31/31/132323131.db2.gz URKFBDHTLZXFAP-JOCHJYFZSA-N 1 1 409.530 3.190 50 0 HGAAMO Cc1cccc(N2CCN(C(=O)C[N@@H+]3CCC[C@@H]3c3ccc4c(c3)OCCO4)CC2)c1 ZINC000010053898 132344904 /nfs/dbraw/zinc/34/49/04/132344904.db2.gz MDTFZAXPQDMGNI-JOCHJYFZSA-N 1 1 421.541 3.252 50 0 HGAAMO Cc1cccc(N2CCN(C(=O)C[N@H+]3CCC[C@@H]3c3ccc4c(c3)OCCO4)CC2)c1 ZINC000010053898 132344905 /nfs/dbraw/zinc/34/49/05/132344905.db2.gz MDTFZAXPQDMGNI-JOCHJYFZSA-N 1 1 421.541 3.252 50 0 HGAAMO CC(=O)N1CCN(c2nc(C[NH+]3CCC(C)CC3)nc3sc(C)c(C)c32)CC1 ZINC000012750523 132366541 /nfs/dbraw/zinc/36/65/41/132366541.db2.gz VJGNWKRWUICQOE-UHFFFAOYSA-N 1 1 401.580 3.209 50 0 HGAAMO C[N@H+]1CCCN(C(=O)c2csc(NC(=O)c3ccc(Cl)cc3Cl)n2)CC1 ZINC000040355832 523808187 /nfs/dbraw/zinc/80/81/87/523808187.db2.gz DNEAWTJNJUEWTE-UHFFFAOYSA-N 1 1 413.330 3.480 50 0 HGAAMO CC(=O)c1ccc(N2CCN(C(=O)C[N@@H+](C)[C@H](C)c3cccs3)CC2)c(F)c1 ZINC000010057003 534847820 /nfs/dbraw/zinc/84/78/20/534847820.db2.gz WERHZYXIMFGBLH-OAHLLOKOSA-N 1 1 403.523 3.431 50 0 HGAAMO CC(=O)c1ccc(N2CCN(C(=O)C[N@H+](C)[C@H](C)c3cccs3)CC2)c(F)c1 ZINC000010057003 534847823 /nfs/dbraw/zinc/84/78/23/534847823.db2.gz WERHZYXIMFGBLH-OAHLLOKOSA-N 1 1 403.523 3.431 50 0 HGAAMO O=C(c1n[nH]c(=O)c2ccccc21)N1CC[NH+](Cc2csc3ccccc23)CC1 ZINC000032756941 526911202 /nfs/dbraw/zinc/91/12/02/526911202.db2.gz LWHLLVWZBBBBKV-UHFFFAOYSA-N 1 1 404.495 3.096 50 0 HGAAMO Cc1nc2ccccn2c1CN1CC[NH+](C[C@@H](O)COc2ccccc2C(C)C)CC1 ZINC000022878607 527177329 /nfs/dbraw/zinc/17/73/29/527177329.db2.gz BYVKVYIWOIKPPS-OAQYLSRUSA-N 1 1 422.573 3.324 50 0 HGAAMO CCCC[N@@H+](C)CCCNC(=O)[C@]1(O)c2ccccc2NC(=O)N1c1ccccc1 ZINC000003670382 535217703 /nfs/dbraw/zinc/21/77/03/535217703.db2.gz JTIDQCNFPJQNJB-HSZRJFAPSA-N 1 1 410.518 3.122 50 0 HGAAMO COc1ccc2c(c1)[nH]c1c2ncnc1N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000002379141 537012739 /nfs/dbraw/zinc/01/27/39/537012739.db2.gz PJNRSCIWBIDJJA-UHFFFAOYSA-N 1 1 417.469 3.171 50 0 HGAAMO CCC(CC)NC(=O)c1nnn(-c2cccc3c2CC[N@H+](C2CCOCC2)C3)c1C ZINC000071890382 557314968 /nfs/dbraw/zinc/31/49/68/557314968.db2.gz YONGYKPEJNUBSX-UHFFFAOYSA-N 1 1 411.550 3.031 50 0 HGAAMO CCC(C)(C)NC(=O)c1nnn(-c2cccc3c2CC[N@H+](C2CCOCC2)C3)c1C ZINC000071890388 557315041 /nfs/dbraw/zinc/31/50/41/557315041.db2.gz FILORMKPNRSCGX-UHFFFAOYSA-N 1 1 411.550 3.031 50 0 HGAAMO O=C(COc1ccccc1)Nc1ccc(N2CCC[N@@H+](Cc3ccoc3)CC2)nc1 ZINC000034681995 557384002 /nfs/dbraw/zinc/38/40/02/557384002.db2.gz FBMJNIQIJDPUFL-UHFFFAOYSA-N 1 1 406.486 3.404 50 0 HGAAMO CC(=O)N1C[C@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@H](c2cccc(C)c2)C1 ZINC000034709809 557390101 /nfs/dbraw/zinc/39/01/01/557390101.db2.gz WKERQUNGZIHBDA-LOSJGSFVSA-N 1 1 419.569 3.291 50 0 HGAAMO COc1ccc(CN2CC[N@@H+](Cc3ccccc3C)[C@@H](CCO)C2)c(OC)c1OC ZINC000019741220 558261788 /nfs/dbraw/zinc/26/17/88/558261788.db2.gz RBBCBZACMRZDIH-NRFANRHFSA-N 1 1 414.546 3.090 50 0 HGAAMO CN(C[C@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1)C(=O)Cc1cn2ccsc2n1 ZINC000011664252 558267858 /nfs/dbraw/zinc/26/78/58/558267858.db2.gz ABXWNVUPFXNKNI-GOSISDBHSA-N 1 1 414.550 3.491 50 0 HGAAMO CCn1cc(C[N@H+]2CCC[C@@H](CCC(=O)NCc3ccc(OC)cc3OC)C2)cn1 ZINC000011705008 558270880 /nfs/dbraw/zinc/27/08/80/558270880.db2.gz ASGZWHGHAYOLQW-SFHVURJKSA-N 1 1 414.550 3.229 50 0 HGAAMO COc1cccc(C(=O)NC[C@H]2CCC[N@H+](Cc3cc(CC(C)C)n[nH]3)C2)c1OC ZINC000011754191 558273127 /nfs/dbraw/zinc/27/31/27/558273127.db2.gz JJNGVANVENLHMO-QGZVFWFLSA-N 1 1 414.550 3.267 50 0 HGAAMO COc1cccc(C(=O)NC[C@H]2CCC[N@@H+](Cc3cc(CC(C)C)n[nH]3)C2)c1OC ZINC000011754191 558273131 /nfs/dbraw/zinc/27/31/31/558273131.db2.gz JJNGVANVENLHMO-QGZVFWFLSA-N 1 1 414.550 3.267 50 0 HGAAMO COc1ccc(CNCc2ccc(F)c(F)c2)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000011764523 558273631 /nfs/dbraw/zinc/27/36/31/558273631.db2.gz BVAUKCJFARKTPQ-LJQANCHMSA-N 1 1 420.500 3.489 50 0 HGAAMO O=C1CC[C@@H](CC[NH2+]Cc2ccc(F)cc2)N1CC1(N2CCOCC2)CCCCC1 ZINC000011784316 558275566 /nfs/dbraw/zinc/27/55/66/558275566.db2.gz RXEJIQWPPZUALJ-QFIPXVFZSA-N 1 1 417.569 3.332 50 0 HGAAMO Cc1occc1C(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)NCc3ccccc3)C2)CC1 ZINC000011817416 558280550 /nfs/dbraw/zinc/28/05/50/558280550.db2.gz USDHZMJNAMCBAN-HXUWFJFHSA-N 1 1 409.530 3.221 50 0 HGAAMO CCOc1ccc(C[N@@H+]2CCN(Cc3c(C)nc4sccn34)C[C@@H]2CCO)cc1 ZINC000019781586 558281167 /nfs/dbraw/zinc/28/11/67/558281167.db2.gz UGAQKBFRAODFLV-IBGZPJMESA-N 1 1 414.575 3.172 50 0 HGAAMO CCOc1ccc(C[N@H+]2CCN(Cc3c(C)nc4sccn34)C[C@@H]2CCO)cc1 ZINC000019781586 558281169 /nfs/dbraw/zinc/28/11/69/558281169.db2.gz UGAQKBFRAODFLV-IBGZPJMESA-N 1 1 414.575 3.172 50 0 HGAAMO O=C(NCCc1cccnc1)[C@@H]1CCC[N@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000011821294 558284594 /nfs/dbraw/zinc/28/45/94/558284594.db2.gz OLDKGFPERXMQMG-HSZRJFAPSA-N 1 1 406.574 3.117 50 0 HGAAMO CCc1ccc(CN(C)Cc2ccc(OC[C@H](O)C[N@@H+](C)C(C)C)c(OC)c2)nc1 ZINC000011874204 558291930 /nfs/dbraw/zinc/29/19/30/558291930.db2.gz VTTXERGMIROCGG-JOCHJYFZSA-N 1 1 415.578 3.365 50 0 HGAAMO O=C(NCC[N@H+]1CCC[C@@H](c2ccccc2)C1)c1cn(CCc2ccccc2)nn1 ZINC000011874816 558292551 /nfs/dbraw/zinc/29/25/51/558292551.db2.gz VNUSAFNJNZKSSU-JOCHJYFZSA-N 1 1 403.530 3.130 50 0 HGAAMO COc1ccc2cc(CN3CC[NH+](C/C=C/c4ccccc4)CC3)c(=O)n(C)c2c1 ZINC000019853921 558296088 /nfs/dbraw/zinc/29/60/88/558296088.db2.gz PPBROSNNJJJMMJ-RMKNXTFCSA-N 1 1 403.526 3.378 50 0 HGAAMO CCCc1cc(CN(C)Cc2ccc(OC)c(OC[C@@H](O)C[N@@H+](C)C(C)C)c2)[nH]n1 ZINC000011935391 558299377 /nfs/dbraw/zinc/29/93/77/558299377.db2.gz ZXCNWDMIPBCYRE-NRFANRHFSA-N 1 1 418.582 3.083 50 0 HGAAMO CCCc1cc(CN(C)Cc2ccc(OC)c(OC[C@@H](O)C[N@H+](C)C(C)C)c2)n[nH]1 ZINC000011935391 558299380 /nfs/dbraw/zinc/29/93/80/558299380.db2.gz ZXCNWDMIPBCYRE-NRFANRHFSA-N 1 1 418.582 3.083 50 0 HGAAMO CCCc1cc(CN(C)Cc2ccc(OC)c(OC[C@@H](O)C[N@@H+](C)C(C)C)c2)n[nH]1 ZINC000011935391 558299382 /nfs/dbraw/zinc/29/93/82/558299382.db2.gz ZXCNWDMIPBCYRE-NRFANRHFSA-N 1 1 418.582 3.083 50 0 HGAAMO Cc1ncoc1C(=O)N1CCC(CCC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000012050637 558313807 /nfs/dbraw/zinc/31/38/07/558313807.db2.gz CNWZWLDSRJOOIX-NRFANRHFSA-N 1 1 424.545 3.006 50 0 HGAAMO O=C(NC(=S)N1CC[NH+](Cc2ccccc2)CC1)c1ccc(Br)cc1 ZINC000020064319 558330343 /nfs/dbraw/zinc/33/03/43/558330343.db2.gz DZMWNIGPJKQAQH-UHFFFAOYSA-N 1 1 418.360 3.282 50 0 HGAAMO O=C1CC[N@@H+](Cc2cnn(-c3ccccc3)c2)CCN1CCOc1ccc(F)cc1 ZINC000012148958 558338404 /nfs/dbraw/zinc/33/84/04/558338404.db2.gz NQQYGYOJQWLHFI-UHFFFAOYSA-N 1 1 408.477 3.125 50 0 HGAAMO O=C1CC[N@H+](Cc2cnn(-c3ccccc3)c2)CCN1CCOc1ccc(F)cc1 ZINC000012148958 558338406 /nfs/dbraw/zinc/33/84/06/558338406.db2.gz NQQYGYOJQWLHFI-UHFFFAOYSA-N 1 1 408.477 3.125 50 0 HGAAMO O=C(Nc1ccccc1C(=O)NCCC[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000020413942 558361090 /nfs/dbraw/zinc/36/10/90/558361090.db2.gz FVZSPBWSGNTZPH-UHFFFAOYSA-N 1 1 401.894 3.044 50 0 HGAAMO COc1ccc(C[N@@H+]2CCc3nnc([C@@H](C)NC(=O)C(C)C)n3CC2)c2ccccc12 ZINC000012281201 558365219 /nfs/dbraw/zinc/36/52/19/558365219.db2.gz HSUIGNNTKNPLQR-QGZVFWFLSA-N 1 1 421.545 3.331 50 0 HGAAMO CC(C)c1c(C(=O)N2CCC[N@@H+](C)CC2)cnn1-c1nccc(-c2ccccc2F)n1 ZINC000012281655 558365502 /nfs/dbraw/zinc/36/55/02/558365502.db2.gz NMUPGXUEDYGFHF-UHFFFAOYSA-N 1 1 422.508 3.370 50 0 HGAAMO O=C(COCc1cc(-c2ccc(F)cc2)on1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020522512 558383728 /nfs/dbraw/zinc/38/37/28/558383728.db2.gz IINDGMOCBMMVMC-UHFFFAOYSA-N 1 1 409.461 3.342 50 0 HGAAMO O=C(c1cn(CCCc2ccccc2)nn1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000012386162 558395079 /nfs/dbraw/zinc/39/50/79/558395079.db2.gz UMRAHLXOSJUAIJ-UHFFFAOYSA-N 1 1 421.520 3.398 50 0 HGAAMO O=C(c1cn(CCCc2ccccc2)nn1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000012386162 558395081 /nfs/dbraw/zinc/39/50/81/558395081.db2.gz UMRAHLXOSJUAIJ-UHFFFAOYSA-N 1 1 421.520 3.398 50 0 HGAAMO Cc1ccoc1C(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)NCc3ccccc3)C2)CC1 ZINC000012437819 558409529 /nfs/dbraw/zinc/40/95/29/558409529.db2.gz QACQQCAJZHTJJC-HXUWFJFHSA-N 1 1 409.530 3.221 50 0 HGAAMO COc1cc(CC(=O)N[C@H]2CCC[N@@H+](CC3CCCCC3)C2)cc(OC)c1OC ZINC000012454948 558416919 /nfs/dbraw/zinc/41/69/19/558416919.db2.gz ASGOUDXWGYJTBR-IBGZPJMESA-N 1 1 404.551 3.416 50 0 HGAAMO O=C(c1ccc(F)cc1)N1CCC[C@@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000012458380 558418290 /nfs/dbraw/zinc/41/82/90/558418290.db2.gz GWXSFROMZPPWBU-OAQYLSRUSA-N 1 1 409.505 3.022 50 0 HGAAMO OCC[C@@H]1CN(Cc2cnn(-c3ccccc3)c2)CC[N@H+]1CCCc1ccccc1 ZINC000020906101 558420781 /nfs/dbraw/zinc/42/07/81/558420781.db2.gz RAGWCKBORKWYSY-RUZDIDTESA-N 1 1 404.558 3.374 50 0 HGAAMO CC(C)(C)c1ccc(C(=O)NCCC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000021005056 558428469 /nfs/dbraw/zinc/42/84/69/558428469.db2.gz LNKMJPGERXQCQW-UHFFFAOYSA-N 1 1 407.558 3.448 50 0 HGAAMO CCN(C[C@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1)C(=O)c1snnc1C ZINC000012593898 558436879 /nfs/dbraw/zinc/43/68/79/558436879.db2.gz FMPFSGXFGITNEB-SFHVURJKSA-N 1 1 402.564 3.272 50 0 HGAAMO Cc1ccccc1Cn1cc(C(=O)NCC[N@H+]2CCC[C@H](c3ccccc3)C2)nn1 ZINC000012713735 558454087 /nfs/dbraw/zinc/45/40/87/558454087.db2.gz VGJYJOVZSKQUQI-QFIPXVFZSA-N 1 1 403.530 3.244 50 0 HGAAMO CCOC(=O)c1c(NC(=O)CN2CC[NH+](C)CC2)sc(Cl)c1-c1ccccc1 ZINC000022034615 558459338 /nfs/dbraw/zinc/45/93/38/558459338.db2.gz KLDKZTOJHAAIQS-UHFFFAOYSA-N 1 1 421.950 3.431 50 0 HGAAMO Cc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)cc1N1CCNC1=O ZINC000012758595 558460572 /nfs/dbraw/zinc/46/05/72/558460572.db2.gz MTKXDIRRSFTZQM-HXUWFJFHSA-N 1 1 424.520 3.400 50 0 HGAAMO Cc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)cc1N1CCNC1=O ZINC000012758595 558460578 /nfs/dbraw/zinc/46/05/78/558460578.db2.gz MTKXDIRRSFTZQM-HXUWFJFHSA-N 1 1 424.520 3.400 50 0 HGAAMO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000012819172 558476510 /nfs/dbraw/zinc/47/65/10/558476510.db2.gz LSYMDDWUFMOJJJ-OAHLLOKOSA-N 1 1 401.457 3.320 50 0 HGAAMO C[C@H]1C[C@H](C)C[NH+](Cc2csc(NC(=O)CCNC(=O)Cc3ccccc3)n2)C1 ZINC000022296907 558477116 /nfs/dbraw/zinc/47/71/16/558477116.db2.gz XULCDMNTADFIOL-IRXDYDNUSA-N 1 1 414.575 3.309 50 0 HGAAMO C[NH+](C)[C@@H](CNC(=O)COc1ccc(Br)cc1Cl)c1ccco1 ZINC000022381211 558484749 /nfs/dbraw/zinc/48/47/49/558484749.db2.gz DPYSAHWOPBVONT-ZDUSSCGKSA-N 1 1 401.688 3.493 50 0 HGAAMO O=C([C@H](c1ccccc1)[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)N1CCOCC1 ZINC000012983828 558494482 /nfs/dbraw/zinc/49/44/82/558494482.db2.gz FNNGHTLITBJVNC-OFNKIYASSA-N 1 1 408.498 3.195 50 0 HGAAMO O=C([C@H](c1ccccc1)[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)N1CCOCC1 ZINC000012983828 558494484 /nfs/dbraw/zinc/49/44/84/558494484.db2.gz FNNGHTLITBJVNC-OFNKIYASSA-N 1 1 408.498 3.195 50 0 HGAAMO CCCN1CCC([NH2+][C@@H]2C[C@@H](C(=O)NC(C)C)N(Cc3ccccc3Cl)C2)CC1 ZINC000023363139 558552604 /nfs/dbraw/zinc/55/26/04/558552604.db2.gz KBZJDHNRJTWBGJ-IRLDBZIGSA-N 1 1 421.029 3.272 50 0 HGAAMO CCC[NH+]1CCC(N[C@@H]2C[C@@H](C(=O)NC(C)C)N(Cc3ccccc3Cl)C2)CC1 ZINC000023363139 558552606 /nfs/dbraw/zinc/55/26/06/558552606.db2.gz KBZJDHNRJTWBGJ-IRLDBZIGSA-N 1 1 421.029 3.272 50 0 HGAAMO COc1ccccc1N1CCN([C@H]2CCC[N@@H+](Cc3cccc4nonc43)C2)CC1 ZINC000023373986 558554128 /nfs/dbraw/zinc/55/41/28/558554128.db2.gz RFCKWPUKMGJAKY-IBGZPJMESA-N 1 1 407.518 3.018 50 0 HGAAMO Cc1noc2nc(-c3cccs3)cc(C(=O)NCCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)c12 ZINC000023509677 558560390 /nfs/dbraw/zinc/56/03/90/558560390.db2.gz CISDEXNLVBRHEI-OKILXGFUSA-N 1 1 414.531 3.489 50 0 HGAAMO S=c1n(CN2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)nc(C2CC2)n1C1CC1 ZINC000023855168 558577888 /nfs/dbraw/zinc/57/78/88/558577888.db2.gz KJZWYBXOEGYYNM-UHFFFAOYSA-N 1 1 411.575 3.337 50 0 HGAAMO c1nn(-c2ccccc2)c2ncnc(NCc3ccc(C[NH+]4CCOCC4)cc3)c12 ZINC000024528298 558600310 /nfs/dbraw/zinc/60/03/10/558600310.db2.gz ARAVLSKSAISLSD-UHFFFAOYSA-N 1 1 400.486 3.260 50 0 HGAAMO COC(=O)c1c(C)[nH]c(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)c1C ZINC000010975395 558633495 /nfs/dbraw/zinc/63/34/95/558633495.db2.gz HDPXTYOASCCOID-UHFFFAOYSA-N 1 1 403.910 3.420 50 0 HGAAMO COC(=O)c1c(C)[nH]c(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)c1C ZINC000010975395 558633497 /nfs/dbraw/zinc/63/34/97/558633497.db2.gz HDPXTYOASCCOID-UHFFFAOYSA-N 1 1 403.910 3.420 50 0 HGAAMO COc1cc(C(C)=O)ccc1OCC(=O)NC[C@@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000025534951 558642905 /nfs/dbraw/zinc/64/29/05/558642905.db2.gz KIDJPEQIOOBKOY-QFIPXVFZSA-N 1 1 424.541 3.476 50 0 HGAAMO COc1ccc(C[N@@H+](C)C[C@H](O)COc2cccc(Br)c2)cc1OC ZINC000014245978 558647003 /nfs/dbraw/zinc/64/70/03/558647003.db2.gz MTBPKQILBWFYII-INIZCTEOSA-N 1 1 410.308 3.338 50 0 HGAAMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000026257740 558657926 /nfs/dbraw/zinc/65/79/26/558657926.db2.gz VDZBBHMQOMGALA-UHFFFAOYSA-N 1 1 406.505 3.010 50 0 HGAAMO CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H]([N@@H+](C)Cc1ccsc1)C2 ZINC000014745994 558669137 /nfs/dbraw/zinc/66/91/37/558669137.db2.gz JRIIHWCMYIFXPM-INIZCTEOSA-N 1 1 404.605 3.143 50 0 HGAAMO CCn1nc(C)c([C@@H]2C[C@H]3CN(Cc4ccccc4OC)C(=O)[C@]34CCC[N@@H+]24)c1C ZINC000014956425 558682749 /nfs/dbraw/zinc/68/27/49/558682749.db2.gz QZZLMONVJYWHPD-SKPFHBQLSA-N 1 1 408.546 3.466 50 0 HGAAMO COc1cccc(-c2noc(-c3ccc(N4CC[N@H+]5CCC[C@@H]5C4)nc3)n2)c1OC ZINC000014966653 558685914 /nfs/dbraw/zinc/68/59/14/558685914.db2.gz ISKDFIMWBKCDHK-MRXNPFEDSA-N 1 1 407.474 3.100 50 0 HGAAMO Cc1ncc(C[N@@H+]2CCC[C@H](CNS(=O)(=O)c3cccc4cccnc43)C2)s1 ZINC000014981324 558691662 /nfs/dbraw/zinc/69/16/62/558691662.db2.gz NWGDYNIHTHCKMM-MRXNPFEDSA-N 1 1 416.572 3.190 50 0 HGAAMO Cc1ncc(C[N@H+]2CCC[C@H](CNS(=O)(=O)c3cccc4cccnc43)C2)s1 ZINC000014981324 558691664 /nfs/dbraw/zinc/69/16/64/558691664.db2.gz NWGDYNIHTHCKMM-MRXNPFEDSA-N 1 1 416.572 3.190 50 0 HGAAMO CC(C)c1ccc(C[N@@H+]2CCc3nnc(CNC(=O)Cc4ccccc4)n3CC2)cc1 ZINC000014990802 558694332 /nfs/dbraw/zinc/69/43/32/558694332.db2.gz PTCVCNOGYZQDPH-UHFFFAOYSA-N 1 1 417.557 3.319 50 0 HGAAMO O=C(C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1)NCc1ccc(Cl)cc1 ZINC000015042178 558703908 /nfs/dbraw/zinc/70/39/08/558703908.db2.gz WTTBHIHROTVQLW-UHFFFAOYSA-N 1 1 401.894 3.013 50 0 HGAAMO COc1cc(Cl)c(C[N@H+]2CCC[C@H](CCC(=O)N3CCOCC3)C2)cc1OC ZINC000015070776 558712562 /nfs/dbraw/zinc/71/25/62/558712562.db2.gz DVYJVDIJGUOFMH-MRXNPFEDSA-N 1 1 410.942 3.208 50 0 HGAAMO O=C(CCNC(=O)c1ccco1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000015344437 558734911 /nfs/dbraw/zinc/73/49/11/558734911.db2.gz WWNJDWGXHGESPJ-UHFFFAOYSA-N 1 1 417.509 3.333 50 0 HGAAMO C[C@@H](C(=O)Nc1ccc(N(C)C)cc1)[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000015507428 558741655 /nfs/dbraw/zinc/74/16/55/558741655.db2.gz SFLASZMHUQKMSX-INIZCTEOSA-N 1 1 410.518 3.136 50 0 HGAAMO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NCc2ccc(C)cc2)C1 ZINC000072304914 558756713 /nfs/dbraw/zinc/75/67/13/558756713.db2.gz YAYOMZWHQGTVCH-FUHWJXTLSA-N 1 1 413.484 3.123 50 0 HGAAMO C[C@@H](OC(=O)c1ccc2ccccc2n1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000016221159 558779264 /nfs/dbraw/zinc/77/92/64/558779264.db2.gz KDHCWBXDUSJNEL-GOSISDBHSA-N 1 1 403.482 3.125 50 0 HGAAMO Cc1c(C(=O)NC(C)C)nnn1-c1cccc2c1CC[N@@H+](Cc1cccc(F)c1)C2 ZINC000071889486 558807921 /nfs/dbraw/zinc/80/79/21/558807921.db2.gz FLOCFINSWRPYSX-UHFFFAOYSA-N 1 1 407.493 3.411 50 0 HGAAMO COCc1cc(C[N@@H+]2CCN(Cc3ccc(F)c(F)c3)[C@H](CCO)C2)ccc1OC ZINC000039518829 558822226 /nfs/dbraw/zinc/82/22/26/558822226.db2.gz JYEIHQWLTSYNAX-HXUWFJFHSA-N 1 1 420.500 3.189 50 0 HGAAMO COCc1cc(C[N@H+]2CCN(Cc3ccc(F)c(F)c3)[C@H](CCO)C2)ccc1OC ZINC000039518829 558822228 /nfs/dbraw/zinc/82/22/28/558822228.db2.gz JYEIHQWLTSYNAX-HXUWFJFHSA-N 1 1 420.500 3.189 50 0 HGAAMO COc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3ccc(N4CCNC4=O)cc3)C2)cc1OC ZINC000019223698 558852429 /nfs/dbraw/zinc/85/24/29/558852429.db2.gz YVCBCJJHVFADSM-LJQANCHMSA-N 1 1 423.513 3.328 50 0 HGAAMO COc1ccc2ccc(OCc3nc(C(=O)N(C)C[C@@H]4CC[N@@H+](C)C4)co3)cc2c1 ZINC000067975022 558862554 /nfs/dbraw/zinc/86/25/54/558862554.db2.gz IZOVCDDBXUQNFG-MRXNPFEDSA-N 1 1 409.486 3.439 50 0 HGAAMO COc1ccc(NC(=O)c2nc3ccccc3nc2N2CC[NH+](C)CC2)cc1Cl ZINC000033086045 558870756 /nfs/dbraw/zinc/87/07/56/558870756.db2.gz BGOKKIKSTXCNJB-UHFFFAOYSA-N 1 1 411.893 3.296 50 0 HGAAMO CC[NH+]1CCC(C(=O)N2CCC[C@H](N3CCN(c4cccc(Cl)c4)CC3)C2)CC1 ZINC000055283016 558878442 /nfs/dbraw/zinc/87/84/42/558878442.db2.gz UZXGJXPCGDHGIW-QFIPXVFZSA-N 1 1 419.013 3.185 50 0 HGAAMO COc1ccccc1NC(=O)N1CC[NH+](CCn2c3ncccc3nc2C(C)C)CC1 ZINC000033139837 558891690 /nfs/dbraw/zinc/89/16/90/558891690.db2.gz VDKIJFBSEIOCJM-UHFFFAOYSA-N 1 1 422.533 3.413 50 0 HGAAMO CCOc1cc(/C=C/C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)ccc1OC(F)F ZINC000058017753 558895634 /nfs/dbraw/zinc/89/56/34/558895634.db2.gz XOONOSBGFTWWMK-KOEDOTQGSA-N 1 1 424.488 3.413 50 0 HGAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc(-c2nc3ccccc3n(C)c2=O)cc1 ZINC000033171806 558900509 /nfs/dbraw/zinc/90/05/09/558900509.db2.gz BGUPJDGQBLUKJQ-KRWDZBQOSA-N 1 1 404.514 3.205 50 0 HGAAMO CCCCOc1ccc(C(=O)NCC(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000058201874 558911322 /nfs/dbraw/zinc/91/13/22/558911322.db2.gz DCXBKGOVZDHQPG-CEXWTWQISA-N 1 1 403.567 3.078 50 0 HGAAMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CCC(Nc4cccnc4)CC3)cc2)C[C@@H](C)O1 ZINC000058356018 558921324 /nfs/dbraw/zinc/92/13/24/558921324.db2.gz XJCAOVSAGYQIMO-RTBURBONSA-N 1 1 408.546 3.408 50 0 HGAAMO COc1ccc(NC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)cc1OC(F)F ZINC000058379500 558922992 /nfs/dbraw/zinc/92/29/92/558922992.db2.gz CUIPMWQSNIEKKK-LJQANCHMSA-N 1 1 405.445 3.224 50 0 HGAAMO Cc1ccc(NC(=O)N2CCN(c3cc[nH+]c(N4CCCC4)n3)CC2)c(Cl)c1 ZINC000072140668 558929167 /nfs/dbraw/zinc/92/91/67/558929167.db2.gz HSTYPITZAQOJAV-UHFFFAOYSA-N 1 1 400.914 3.393 50 0 HGAAMO CCNc1cc(N2CCN(C(=O)Nc3ccc(Br)cc3)CC2)[nH+]c(C)n1 ZINC000065364570 558975800 /nfs/dbraw/zinc/97/58/00/558975800.db2.gz SZXDJYHLIIHNTI-UHFFFAOYSA-N 1 1 419.327 3.333 50 0 HGAAMO CCn1c2cc(NCc3ccccc3)c(F)cc2cc(C(=O)N2CC[NH+](C)CC2)c1=O ZINC000096601939 558980938 /nfs/dbraw/zinc/98/09/38/558980938.db2.gz ZRMDMZYSLLNFFA-UHFFFAOYSA-N 1 1 422.504 3.160 50 0 HGAAMO C[C@H]1CNC(=O)CC[N@H+]1Cc1cc2cc3c(cc2nc1-c1ccc(F)cc1)OCO3 ZINC000072469443 558983331 /nfs/dbraw/zinc/98/33/31/558983331.db2.gz IJLFLFGUNPEJPQ-AWEZNQCLSA-N 1 1 407.445 3.480 50 0 HGAAMO COCc1ncc(C[N@H+]2CC[C@]3(C2)CCCN(C(=O)CC2CCCCC2)C3)cn1 ZINC000067458924 558986725 /nfs/dbraw/zinc/98/67/25/558986725.db2.gz FLLYPJPDVMBFIH-QHCPKHFHSA-N 1 1 400.567 3.408 50 0 HGAAMO Cc1ccc(NC(=O)N2CCN(c3cc(-n4ccnc4)nc(C)[nH+]3)CC2)cc1Cl ZINC000067613160 558989157 /nfs/dbraw/zinc/98/91/57/558989157.db2.gz OTCCJDMQZNJVTR-UHFFFAOYSA-N 1 1 411.897 3.287 50 0 HGAAMO C[C@@H](NC(=O)c1cc(C[NH+]2CCC(Cc3ccccc3)CC2)on1)c1ccncn1 ZINC000067672905 558991082 /nfs/dbraw/zinc/99/10/82/558991082.db2.gz RQICIOWFLQLDAW-QGZVFWFLSA-N 1 1 405.502 3.410 50 0 HGAAMO C/C=C/c1ccc(OC[C@@H](O)C[NH+]2CCN(c3ccc(F)cc3)CC2)c(OC)c1 ZINC000023115556 559012898 /nfs/dbraw/zinc/01/28/98/559012898.db2.gz FVXJIABGXOOMQB-SHTLVRLNSA-N 1 1 400.494 3.429 50 0 HGAAMO O=C(NCc1cccnc1)[C@H]1CCC[N@H+](C2CCN(c3ccc(Cl)cn3)CC2)C1 ZINC000082120772 559039397 /nfs/dbraw/zinc/03/93/97/559039397.db2.gz UAHCOMRGRKTKSD-SFHVURJKSA-N 1 1 413.953 3.127 50 0 HGAAMO O=C(NCCc1ccccc1)[C@@H]1CCC[N@H+](C2CCN(Cc3nccs3)CC2)C1 ZINC000082121804 559039715 /nfs/dbraw/zinc/03/97/15/559039715.db2.gz YGWCALAKJZTGTP-HXUWFJFHSA-N 1 1 412.603 3.178 50 0 HGAAMO CC(C)OC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000082126440 559039791 /nfs/dbraw/zinc/03/97/91/559039791.db2.gz BOSFUQSPQLXBML-HXUWFJFHSA-N 1 1 401.551 3.067 50 0 HGAAMO O=C(NCC(F)(F)F)[C@@H]1CCC[N@@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC000091873282 559074411 /nfs/dbraw/zinc/07/44/11/559074411.db2.gz ZQHIKRRMCUMPSL-GOSISDBHSA-N 1 1 409.496 3.009 50 0 HGAAMO O=C(NCC(F)(F)F)[C@@H]1CCC[N@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC000091873282 559074412 /nfs/dbraw/zinc/07/44/12/559074412.db2.gz ZQHIKRRMCUMPSL-GOSISDBHSA-N 1 1 409.496 3.009 50 0 HGAAMO CN(C[C@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1)C(=O)c1ccc(=O)n(C)c1 ZINC000095498192 559081820 /nfs/dbraw/zinc/08/18/20/559081820.db2.gz UQNGOSYQHYUMBB-GOSISDBHSA-N 1 1 401.938 3.065 50 0 HGAAMO O=C(NCC1(c2cccc(F)c2)CCOCC1)[C@@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000095512922 559084474 /nfs/dbraw/zinc/08/44/74/559084474.db2.gz VCNQOTOPTWYLKS-GOSISDBHSA-N 1 1 400.494 3.495 50 0 HGAAMO C[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)c1c(Cl)c(C(F)(F)F)nn1C ZINC000097717252 559120559 /nfs/dbraw/zinc/12/05/59/559120559.db2.gz BJUWVZPRLWYBFK-LLVKDONJSA-N 1 1 400.832 3.269 50 0 HGAAMO Cc1ccc(C[N@H+]2CCc3nc(N(C)Cc4cccnc4)[nH]c(=O)c3CC2)cc1C ZINC000257197406 559189823 /nfs/dbraw/zinc/18/98/23/559189823.db2.gz NYSOBPRKFCNMJX-UHFFFAOYSA-N 1 1 403.530 3.431 50 0 HGAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccccc1-n1cnc2ccccc2c1=O ZINC000257198686 559189878 /nfs/dbraw/zinc/18/98/78/559189878.db2.gz FZXYMWKDMRGFDF-PGRDOPGGSA-N 1 1 416.525 3.380 50 0 biogenic HGAAMO COc1ccc(-c2noc(CN(C)C[C@H]3CC[N@@H+](CC(C)C)C3)n2)c(OC)c1OC ZINC000011702174 559227693 /nfs/dbraw/zinc/22/76/93/559227693.db2.gz AAQIRZFOIGEPFK-MRXNPFEDSA-N 1 1 418.538 3.172 50 0 HGAAMO O=c1occ(C[NH+]2CCc3ccccc3C2)c([O-])c1C[N@H+]1CCc2ccccc2C1 ZINC000100797315 559268179 /nfs/dbraw/zinc/26/81/79/559268179.db2.gz FPSAKSFAKSRONC-UHFFFAOYSA-N 1 1 402.494 3.462 50 0 biogenic HGAAMO O=c1occ(C[N@@H+]2CCc3ccccc3C2)c([O-])c1C[NH+]1CCc2ccccc2C1 ZINC000100797315 559268181 /nfs/dbraw/zinc/26/81/81/559268181.db2.gz FPSAKSFAKSRONC-UHFFFAOYSA-N 1 1 402.494 3.462 50 0 biogenic HGAAMO O=c1occ(C[N@H+]2CCc3ccccc3C2)c([O-])c1C[NH+]1CCc2ccccc2C1 ZINC000100797315 559268182 /nfs/dbraw/zinc/26/81/82/559268182.db2.gz FPSAKSFAKSRONC-UHFFFAOYSA-N 1 1 402.494 3.462 50 0 biogenic HGAAMO Cc1ccc(-c2noc(CCC[N@H+]3CCCN(C(=O)c4ccccn4)CC3)n2)cc1F ZINC000048299533 568437095 /nfs/dbraw/zinc/43/70/95/568437095.db2.gz QSPWYOHVGHZCQD-UHFFFAOYSA-N 1 1 423.492 3.360 50 0 HGAAMO CSc1ncc(C(=O)NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1-c1ccccc1 ZINC000048355736 568441505 /nfs/dbraw/zinc/44/15/05/568441505.db2.gz LJYDFLFZUYACKS-CALCHBBNSA-N 1 1 402.564 3.213 50 0 HGAAMO Cc1ccc(NC(=O)Cn2c(C)nc3c(c2=O)C[N@@H+](Cc2cccc(C)c2)CC3)cc1 ZINC000049400926 568447645 /nfs/dbraw/zinc/44/76/45/568447645.db2.gz RCGVRFCRBAQAAV-UHFFFAOYSA-N 1 1 416.525 3.366 50 0 HGAAMO CCc1c(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)cnn1-c1ccc(F)cc1 ZINC000024690562 568456765 /nfs/dbraw/zinc/45/67/65/568456765.db2.gz MHWRJUSVSOWJFG-HZPDHXFCSA-N 1 1 402.514 3.191 50 0 HGAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)Nc1ccc(C(=O)OC)cc1 ZINC000604405084 568492491 /nfs/dbraw/zinc/49/24/91/568492491.db2.gz WBAKMLPKKFXQPV-AZUAARDMSA-N 1 1 403.523 3.218 50 0 biogenic HGAAMO Cc1oc(-c2ccc(C)cc2)nc1CSCC(=O)NCCC[NH+]1CCOCC1 ZINC000020241314 568595949 /nfs/dbraw/zinc/59/59/49/568595949.db2.gz YWQDDDUWWOLEMN-UHFFFAOYSA-N 1 1 403.548 3.030 50 0 HGAAMO CC[NH+]1CCN([C@H](c2cccs2)[C@@H](C)NC(=O)c2ccc(N(C)C)cc2)CC1 ZINC000020288183 568597482 /nfs/dbraw/zinc/59/74/82/568597482.db2.gz SSSXZWJNTZOQTN-UTKZUKDTSA-N 1 1 400.592 3.311 50 0 HGAAMO Cc1ccc2c(c1)-c1c(cnn1CC(=O)N1CC[NH+](Cc3ccccc3)CC1)CO2 ZINC000020380028 568602477 /nfs/dbraw/zinc/60/24/77/568602477.db2.gz ZTKAXKPEZGTOQH-UHFFFAOYSA-N 1 1 402.498 3.095 50 0 HGAAMO CC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]3CCC[N@@H+]3[C@]23c2ccccc2N(C)C3=O)c1 ZINC000020513982 568622111 /nfs/dbraw/zinc/62/21/11/568622111.db2.gz GWKQRCRWPHCEDS-VAXXYWNWSA-N 1 1 403.482 3.184 50 0 HGAAMO CC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]3CCC[N@H+]3[C@]23c2ccccc2N(C)C3=O)c1 ZINC000020513982 568622113 /nfs/dbraw/zinc/62/21/13/568622113.db2.gz GWKQRCRWPHCEDS-VAXXYWNWSA-N 1 1 403.482 3.184 50 0 HGAAMO C[NH+]1CCN(C(=O)[C@@H]2CC23CCN(C(=O)c2ccc(Oc4ccccc4)o2)CC3)CC1 ZINC000095464884 568622832 /nfs/dbraw/zinc/62/28/32/568622832.db2.gz KTDDMRBISRHSPP-IBGZPJMESA-N 1 1 423.513 3.088 50 0 HGAAMO CC(C)Cc1ccc([C@H](C)NC(=O)C[NH+]2CCC3(CC2)SCC(=O)N3C)cc1 ZINC000095469403 568625529 /nfs/dbraw/zinc/62/55/29/568625529.db2.gz MHJASUGTGGKYBA-KRWDZBQOSA-N 1 1 403.592 3.060 50 0 HGAAMO CCOCCC[N@H+]1CC[C@H](N2C(=O)CN(Cc3ccc(Cl)cc3)C2=O)[C@H](C)C1 ZINC000225456887 568639715 /nfs/dbraw/zinc/63/97/15/568639715.db2.gz UCENJBIKSGKDRS-APWZRJJASA-N 1 1 407.942 3.241 50 0 HGAAMO Cc1ccc(C(=O)NCCC[N@@H+]2CCC[C@@H](C)C2)cc1NC(=O)C1=CSCCO1 ZINC000021019807 568658077 /nfs/dbraw/zinc/65/80/77/568658077.db2.gz JMOZPKQNHMJMKS-MRXNPFEDSA-N 1 1 417.575 3.390 50 0 HGAAMO Cc1cccc(-c2nn(Cc3ccccc3)cc2C[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)c1 ZINC000095940870 568661784 /nfs/dbraw/zinc/66/17/84/568661784.db2.gz CCDSPODTESIAGT-QFIPXVFZSA-N 1 1 424.570 3.160 50 0 HGAAMO Cc1cccc(-c2nn(Cc3ccccc3)cc2C[N@H+]2CCC[C@H](S(N)(=O)=O)C2)c1 ZINC000095940870 568661787 /nfs/dbraw/zinc/66/17/87/568661787.db2.gz CCDSPODTESIAGT-QFIPXVFZSA-N 1 1 424.570 3.160 50 0 HGAAMO COc1ccc2cc(CN(C)C(=O)C[N@@H+](C)C[C@@H]3CCn4ccnc4C3)ccc2c1 ZINC000225671891 568662703 /nfs/dbraw/zinc/66/27/03/568662703.db2.gz NYHCMLOXEUVQOZ-LJQANCHMSA-N 1 1 406.530 3.198 50 0 HGAAMO O=C(NCCC[NH+]1CCOCC1)c1cc(OCc2ccccc2)nc2ccccc21 ZINC000021094437 568664764 /nfs/dbraw/zinc/66/47/64/568664764.db2.gz CLXUWVCUFCWEEG-UHFFFAOYSA-N 1 1 405.498 3.266 50 0 HGAAMO C[C@@](O)(CNc1ccc2cc(Br)cc(Cl)c2n1)C[NH+]1CCOCC1 ZINC000095988686 568676846 /nfs/dbraw/zinc/67/68/46/568676846.db2.gz BLXWHZRYENFKQH-QGZVFWFLSA-N 1 1 414.731 3.146 50 0 HGAAMO C[N@@H+](CC(=O)Nc1cccc(CSc2ccccn2)c1)C1(CCO)CCOCC1 ZINC000095995985 568678913 /nfs/dbraw/zinc/67/89/13/568678913.db2.gz ZAIYARUOXWKPFR-UHFFFAOYSA-N 1 1 415.559 3.176 50 0 HGAAMO O=C([C@H]1COc2ccccc2O1)N1CCC[C@@H]2C[N@@H+](CCc3ccccc3)CC[C@@H]21 ZINC000014990460 568718590 /nfs/dbraw/zinc/71/85/90/568718590.db2.gz PSBWLZAYCKPSDO-ZFGGDYGUSA-N 1 1 406.526 3.382 50 0 HGAAMO COc1ccc(C[N@H+](C)[C@H]2CC(=O)N(c3cc(C)c(Cl)cc3OC)C2=O)cc1 ZINC000025052218 568739803 /nfs/dbraw/zinc/73/98/03/568739803.db2.gz PCCZTWUIVLOLDD-SFHVURJKSA-N 1 1 402.878 3.430 50 0 HGAAMO COc1ccc(C[N@@H+](C)[C@H]2CC(=O)N(c3cc(C)c(Cl)cc3OC)C2=O)cc1 ZINC000025052218 568739804 /nfs/dbraw/zinc/73/98/04/568739804.db2.gz PCCZTWUIVLOLDD-SFHVURJKSA-N 1 1 402.878 3.430 50 0 HGAAMO COc1ccccc1OCC[N@H+](C)CC(=O)N(C)Cc1ccc(OC(F)F)cc1 ZINC000052451500 568766617 /nfs/dbraw/zinc/76/66/17/568766617.db2.gz QWHATQQULFIQSF-UHFFFAOYSA-N 1 1 408.445 3.266 50 0 HGAAMO COc1ccccc1OCC[N@@H+](C)CC(=O)N(C)Cc1ccc(OC(F)F)cc1 ZINC000052451500 568766620 /nfs/dbraw/zinc/76/66/20/568766620.db2.gz QWHATQQULFIQSF-UHFFFAOYSA-N 1 1 408.445 3.266 50 0 HGAAMO CC[NH+]1CCN([C@@H](c2cccs2)[C@H](C)NS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000022460435 568768499 /nfs/dbraw/zinc/76/84/99/568768499.db2.gz MWEJUUKVXXTAEO-FXAWDEMLSA-N 1 1 407.605 3.102 50 0 HGAAMO Cc1cccc(C)c1OCCOC[C@@H](O)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000022608892 568771664 /nfs/dbraw/zinc/77/16/64/568771664.db2.gz JOBUUTXPHMZCPL-FQEVSTJZSA-N 1 1 402.510 3.021 50 0 HGAAMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)Cc2csc(-c3ccccc3Cl)n2)C1 ZINC000028015188 568777560 /nfs/dbraw/zinc/77/75/60/568777560.db2.gz AGMJGNUMKLYFTO-MRXNPFEDSA-N 1 1 407.967 3.479 50 0 HGAAMO O=C(C[NH+]1CCC(C(=O)NC2CC2)CC1)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000055911928 568784503 /nfs/dbraw/zinc/78/45/03/568784503.db2.gz RARMVJWIORODAB-QFIPXVFZSA-N 1 1 401.526 3.164 50 0 HGAAMO CCCS(=O)(=O)Nc1cccc(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)c1 ZINC000012526129 568843097 /nfs/dbraw/zinc/84/30/97/568843097.db2.gz SRHFRXPCCAFAKX-UHFFFAOYSA-N 1 1 415.559 3.186 50 0 HGAAMO CC(C)(C[NH+]1CCN(c2cccc(Cl)c2)CC1)NS(=O)(=O)c1ccccc1 ZINC000057537182 568852382 /nfs/dbraw/zinc/85/23/82/568852382.db2.gz HFECHKCRDJJTKN-UHFFFAOYSA-N 1 1 407.967 3.219 50 0 HGAAMO Cc1cccc2c1ncn(CCCC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1)c2=O ZINC000030030455 568856834 /nfs/dbraw/zinc/85/68/34/568856834.db2.gz RIQMTIVJYHDTBO-NRFANRHFSA-N 1 1 404.514 3.000 50 0 HGAAMO Cc1cccc2c1ncn(CCCC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1)c2=O ZINC000030030455 568856838 /nfs/dbraw/zinc/85/68/38/568856838.db2.gz RIQMTIVJYHDTBO-NRFANRHFSA-N 1 1 404.514 3.000 50 0 HGAAMO COc1ccc(Br)c(C(=O)N2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000057766409 568860254 /nfs/dbraw/zinc/86/02/54/568860254.db2.gz ZMOPWKJCZCSPDQ-UHFFFAOYSA-N 1 1 403.320 3.458 50 0 HGAAMO Cn1nc(C(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)c2ccccc2c1=O ZINC000012567640 568860515 /nfs/dbraw/zinc/86/05/15/568860515.db2.gz AMZGFIZQYOXJGE-UHFFFAOYSA-N 1 1 412.493 3.045 50 0 HGAAMO CCOC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]3CCC[N@H+]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000057992085 568873101 /nfs/dbraw/zinc/87/31/01/568873101.db2.gz RKQZVYFIUMOCFC-PDOGEWKWSA-N 1 1 419.481 3.134 50 0 biogenic HGAAMO O=C1CCN(Cc2ccc(OCc3ccccc3)cc2)CCN1CC[NH+]1CCCC1 ZINC000299789926 568875860 /nfs/dbraw/zinc/87/58/60/568875860.db2.gz AHLIGMJXTUCXEL-UHFFFAOYSA-N 1 1 407.558 3.396 50 0 HGAAMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1cnn(-c2nccc(-c3ccco3)n2)c1C1CC1 ZINC000299798423 568876482 /nfs/dbraw/zinc/87/64/82/568876482.db2.gz UEOMTZHYUVKQGN-INIZCTEOSA-N 1 1 420.517 3.214 50 0 HGAAMO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)Nc1cccc(Br)c1 ZINC000058021529 568878063 /nfs/dbraw/zinc/87/80/63/568878063.db2.gz SYOKJUFJPXSYSF-UHFFFAOYSA-N 1 1 403.324 3.393 50 0 HGAAMO CCn1c(=O)cc(OCC(=O)NCCC[N@@H+](CC)Cc2ccccc2)c2ccccc21 ZINC000004034835 568879397 /nfs/dbraw/zinc/87/93/97/568879397.db2.gz JGXCMIJLNVGIFM-UHFFFAOYSA-N 1 1 421.541 3.429 50 0 HGAAMO CCCCCNC(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1ccc2c(c1)OCO2 ZINC000004061958 568881573 /nfs/dbraw/zinc/88/15/73/568881573.db2.gz XFEVYGOFGKAHNI-TZYHBYERSA-N 1 1 402.535 3.390 50 0 biogenic HGAAMO CCCCCNC(=O)C[N@H+]1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1ccc2c(c1)OCO2 ZINC000004061958 568881574 /nfs/dbraw/zinc/88/15/74/568881574.db2.gz XFEVYGOFGKAHNI-TZYHBYERSA-N 1 1 402.535 3.390 50 0 biogenic HGAAMO CCCCCNC(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1ccc(O)c(OC)c1 ZINC000004062565 568881779 /nfs/dbraw/zinc/88/17/79/568881779.db2.gz COYIMEITIZUVMK-TZYHBYERSA-N 1 1 404.551 3.375 50 0 biogenic HGAAMO CCCCCNC(=O)C[N@H+]1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1ccc(O)c(OC)c1 ZINC000004062565 568881780 /nfs/dbraw/zinc/88/17/80/568881780.db2.gz COYIMEITIZUVMK-TZYHBYERSA-N 1 1 404.551 3.375 50 0 biogenic HGAAMO C[NH+](C)[C@@H](CNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccs1)c1ccco1 ZINC000003417345 568899259 /nfs/dbraw/zinc/89/92/59/568899259.db2.gz IWNJTXQTRJDTOB-MSOLQXFVSA-N 1 1 411.527 3.101 50 0 HGAAMO CCCCn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(OC)cc1)N1CCCCCC1=[NH+]2 ZINC000003426069 568900655 /nfs/dbraw/zinc/90/06/55/568900655.db2.gz RYDLVLYZMASOMD-FQEVSTJZSA-N 1 1 410.518 3.365 50 0 HGAAMO CCn1nc(C)c([C@@H]2C[C@H]3CN(Cc4cccc(OC)c4)C(=O)[C@]34CCC[N@@H+]24)c1C ZINC000012704470 568917368 /nfs/dbraw/zinc/91/73/68/568917368.db2.gz DXKGGYPVXUIVBF-PTLVVNQVSA-N 1 1 408.546 3.466 50 0 HGAAMO CC(C)[N@@H+]1CCc2c(sc(NC(=O)COc3ccc(Cl)cc3)c2C(N)=O)C1 ZINC000004087246 568940762 /nfs/dbraw/zinc/94/07/62/568940762.db2.gz XQBQQZMLJHPXPR-UHFFFAOYSA-N 1 1 407.923 3.284 50 0 HGAAMO CC(C)[N@H+]1CCc2c(sc(NC(=O)COc3ccc(Cl)cc3)c2C(N)=O)C1 ZINC000004087246 568940764 /nfs/dbraw/zinc/94/07/64/568940764.db2.gz XQBQQZMLJHPXPR-UHFFFAOYSA-N 1 1 407.923 3.284 50 0 HGAAMO Cc1ccc(NC(=O)C[NH+]2CCC(C(=O)N3CCCC3)CC2)cc1Br ZINC000012770956 568951700 /nfs/dbraw/zinc/95/17/00/568951700.db2.gz LXKFVGCJKWGHHB-UHFFFAOYSA-N 1 1 408.340 3.030 50 0 HGAAMO O[C@@H](COCCOc1ccc(Br)cc1)C[N@H+]1CCc2ccccc2C1 ZINC000004305293 568977040 /nfs/dbraw/zinc/97/70/40/568977040.db2.gz NNJFKJJMJUZTET-LJQANCHMSA-N 1 1 406.320 3.264 50 0 HGAAMO CCC[NH+]1CCN(C(=O)c2ccc(S(=O)(=O)N(CC)c3ccccc3)cc2)CC1 ZINC000008324112 568990742 /nfs/dbraw/zinc/99/07/42/568990742.db2.gz XQWJINHRTWNBIS-UHFFFAOYSA-N 1 1 415.559 3.070 50 0 HGAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(c2nc3cccnc3s2)CC1 ZINC000015770202 568997455 /nfs/dbraw/zinc/99/74/55/568997455.db2.gz ISKFAKZNLIRNTM-MRXNPFEDSA-N 1 1 401.580 3.288 50 0 HGAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(c2nc3cccnc3s2)CC1 ZINC000015770204 568997465 /nfs/dbraw/zinc/99/74/65/568997465.db2.gz ISKFAKZNLIRNTM-INIZCTEOSA-N 1 1 401.580 3.288 50 0 HGAAMO COc1cc(Cl)cc(CN2CC[N@H+](Cc3ccc(C)o3)[C@H](CCO)C2)c1OC ZINC000104539539 569009091 /nfs/dbraw/zinc/00/90/91/569009091.db2.gz QXQAFBIWLRQCDH-GOSISDBHSA-N 1 1 408.926 3.327 50 0 HGAAMO COc1cc(Cl)cc(CN2CC[N@@H+](Cc3ccc(C)o3)[C@H](CCO)C2)c1OC ZINC000104539539 569009092 /nfs/dbraw/zinc/00/90/92/569009092.db2.gz QXQAFBIWLRQCDH-GOSISDBHSA-N 1 1 408.926 3.327 50 0 HGAAMO CSCC[C@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)Nc1cc(C)cc(C)c1 ZINC000035485535 569039762 /nfs/dbraw/zinc/03/97/62/569039762.db2.gz PDJBLAWXIUPELH-SFTDATJTSA-N 1 1 411.571 3.194 50 0 HGAAMO C[C@H](c1ccccc1)[N@H+]1CC[C@](F)(COC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)C1 ZINC000225397486 569039874 /nfs/dbraw/zinc/03/98/74/569039874.db2.gz XLTWXKWDRSVIMP-DHJUGAMNSA-N 1 1 402.510 3.353 50 0 HGAAMO Cc1ccc(C[N@@H+]2CCN(Cc3cnn(-c4ccc(Cl)cc4)c3)C[C@H]2CCO)o1 ZINC000036385563 569052322 /nfs/dbraw/zinc/05/23/22/569052322.db2.gz LRHUBNUJKCQTQJ-OAQYLSRUSA-N 1 1 414.937 3.496 50 0 HGAAMO Cc1ccc(C[N@H+]2CCN(Cc3cnn(-c4ccc(Cl)cc4)c3)C[C@H]2CCO)o1 ZINC000036385563 569052323 /nfs/dbraw/zinc/05/23/23/569052323.db2.gz LRHUBNUJKCQTQJ-OAQYLSRUSA-N 1 1 414.937 3.496 50 0 HGAAMO O=S(=O)(NC1CC[NH+](Cc2cc(-c3ccccc3)no2)CC1)c1cccs1 ZINC000054146922 569059820 /nfs/dbraw/zinc/05/98/20/569059820.db2.gz QCMVIVLIANQCBK-UHFFFAOYSA-N 1 1 403.529 3.346 50 0 HGAAMO CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1cccc(-c2nc(-c3ccccc3)no2)c1 ZINC000064610856 569071280 /nfs/dbraw/zinc/07/12/80/569071280.db2.gz QKJMUWDVXJQOKL-GOSISDBHSA-N 1 1 412.515 3.166 50 0 HGAAMO CCOC(=O)C1=C(C[NH+]2CCC(C)CC2)N(CC)C(=O)N[C@@H]1c1ccccc1F ZINC000035991081 569074656 /nfs/dbraw/zinc/07/46/56/569074656.db2.gz XBAOSSOMDCVIIL-HXUWFJFHSA-N 1 1 403.498 3.461 50 0 HGAAMO COc1cc([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)N2CCCCC2)ccc1O ZINC000006641692 569078197 /nfs/dbraw/zinc/07/81/97/569078197.db2.gz WTNJGYFYMAQZAK-YSZBQJHXSA-N 1 1 402.535 3.081 50 0 HGAAMO CC[NH+]1CCN(C(=O)C[C@H]2COc3cc(C)ccc3N2Cc2ccc(F)cc2)CC1 ZINC000064663571 569079712 /nfs/dbraw/zinc/07/97/12/569079712.db2.gz DOUPPUMMMOUJOF-NRFANRHFSA-N 1 1 411.521 3.456 50 0 HGAAMO Cc1ccccc1C[N@@H+](CCN1CCOCC1)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000036104408 569092116 /nfs/dbraw/zinc/09/21/16/569092116.db2.gz YFNFKMUFPQVAFT-JOCHJYFZSA-N 1 1 418.965 3.223 50 0 HGAAMO CCCC(=O)OC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1cccc(OC)c1OC ZINC000036103665 569092364 /nfs/dbraw/zinc/09/23/64/569092364.db2.gz WEWIIELFVAKTGH-HXUWFJFHSA-N 1 1 401.503 3.410 50 0 HGAAMO COC[C@@H](O)C[N@H+](Cc1cccc(OC)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146719 569098819 /nfs/dbraw/zinc/09/88/19/569098819.db2.gz UUDXGXBJKSEZEV-FPOVZHCZSA-N 1 1 418.921 3.351 50 0 HGAAMO CCOC[C@H](O)C[N@H+](CCC(C)C)Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000036158726 569102437 /nfs/dbraw/zinc/10/24/37/569102437.db2.gz QPRCUYMNMAXWJM-OAHLLOKOSA-N 1 1 407.580 3.109 50 0 HGAAMO CCOC[C@H](O)C[N@@H+](CCC(C)C)Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000036158726 569102439 /nfs/dbraw/zinc/10/24/39/569102439.db2.gz QPRCUYMNMAXWJM-OAHLLOKOSA-N 1 1 407.580 3.109 50 0 HGAAMO O=C([C@@H](C1CCCC1)[NH+]1CCN(C(=O)C2CCCC2)CC1)N1CCc2ccccc2C1 ZINC000036250566 569119291 /nfs/dbraw/zinc/11/92/91/569119291.db2.gz LCFYHDCKILJJJU-XMMPIXPASA-N 1 1 423.601 3.465 50 0 HGAAMO O=C(Nc1cccc(F)c1)N1CC[NH+]([C@@H](C(=O)N2CCCC2)C2CCCC2)CC1 ZINC000036310694 569131755 /nfs/dbraw/zinc/13/17/55/569131755.db2.gz UNJSVIWDHTWLHC-HXUWFJFHSA-N 1 1 402.514 3.156 50 0 HGAAMO CC[C@@H](C)N(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)C(=O)COC ZINC000036312164 569132732 /nfs/dbraw/zinc/13/27/32/569132732.db2.gz JFRLRLMWUIKCKQ-MRXNPFEDSA-N 1 1 418.513 3.006 50 0 HGAAMO Cc1cccc(N2CC[NH+](CCCCNS(=O)(=O)c3c(F)cccc3F)CC2)c1 ZINC000036397762 569171041 /nfs/dbraw/zinc/17/10/41/569171041.db2.gz CGQJWVLZCVXRNI-UHFFFAOYSA-N 1 1 423.529 3.154 50 0 HGAAMO COc1cccc(C[N@@H+](C)C[C@H](O)COc2ccc(CCC(C)=O)cc2)c1OC ZINC000006998547 569196624 /nfs/dbraw/zinc/19/66/24/569196624.db2.gz HNAZGWJIKGDGMF-FQEVSTJZSA-N 1 1 401.503 3.097 50 0 HGAAMO Cc1cc(=O)c(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)nn1-c1ccc(Cl)cc1 ZINC000007240730 569229730 /nfs/dbraw/zinc/22/97/30/569229730.db2.gz WRJHDYFWPYOREP-OAHLLOKOSA-N 1 1 402.926 3.189 50 0 HGAAMO O=C(NCC[N@H+]1CCc2ccccc2C1)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000065476386 569231492 /nfs/dbraw/zinc/23/14/92/569231492.db2.gz WQYVUXUDFYXTSH-QGZVFWFLSA-N 1 1 414.500 3.149 50 0 HGAAMO Cc1cc(Nc2ccccc2)nc(N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)[nH+]1 ZINC000007450843 569239663 /nfs/dbraw/zinc/23/96/63/569239663.db2.gz GZFAUBCKYGVLSS-UHFFFAOYSA-N 1 1 417.469 3.220 50 0 HGAAMO COC(=O)c1ccc(C(=O)Oc2ccc3nc(N4CC[NH+](C)CC4)sc3c2)cc1 ZINC000007512966 569243892 /nfs/dbraw/zinc/24/38/92/569243892.db2.gz WJZCNZGCOWEHRG-UHFFFAOYSA-N 1 1 411.483 3.054 50 0 HGAAMO Cc1ccc(S(=O)(=O)Nc2ccccc2C[N@H+]2CCC[C@H](C(N)=O)C2)cc1Cl ZINC000170617462 569248044 /nfs/dbraw/zinc/24/80/44/569248044.db2.gz WKTKYHZZBCQFOY-INIZCTEOSA-N 1 1 421.950 3.147 50 0 HGAAMO O=C(CCNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCCc2ccccc21 ZINC000071824126 569254487 /nfs/dbraw/zinc/25/44/87/569254487.db2.gz CHPPJFSZHQUBJE-QFIPXVFZSA-N 1 1 405.542 3.384 50 0 HGAAMO CC(C)C(=O)N1CCC[C@H](C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC000089775644 569263521 /nfs/dbraw/zinc/26/35/21/569263521.db2.gz WSZFFFSGSCYSLE-XPWALMASSA-N 1 1 411.590 3.394 50 0 HGAAMO CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000089791048 569266235 /nfs/dbraw/zinc/26/62/35/569266235.db2.gz IXXGBLUGLVDKAX-FCHUYYIVSA-N 1 1 411.521 3.361 50 0 HGAAMO COc1ccccc1CCNC(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000007684619 569300658 /nfs/dbraw/zinc/30/06/58/569300658.db2.gz LTYZYMBOQRMZPG-FQEVSTJZSA-N 1 1 410.514 3.352 50 0 HGAAMO COc1ccccc1CCNC(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000007684619 569300659 /nfs/dbraw/zinc/30/06/59/569300659.db2.gz LTYZYMBOQRMZPG-FQEVSTJZSA-N 1 1 410.514 3.352 50 0 HGAAMO Cc1cccc(C(=O)N2CCC3(CC2)C[C@@H](N2CC[NH+](CC(C)C)CC2)CCO3)c1 ZINC000581819765 569320825 /nfs/dbraw/zinc/32/08/25/569320825.db2.gz JQNWIGCOBKRELE-QHCPKHFHSA-N 1 1 413.606 3.422 50 0 HGAAMO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000253389857 569365012 /nfs/dbraw/zinc/36/50/12/569365012.db2.gz VLLJMMUWEYSLRX-KEXUJGGDSA-N 1 1 421.884 3.080 50 0 HGAAMO Cc1nn2c(CN(C(=O)C[NH+]3CCCC3)c3ccccc3)nnc2c2ccccc12 ZINC000002365418 569388014 /nfs/dbraw/zinc/38/80/14/569388014.db2.gz YGFRWBSOESETTH-UHFFFAOYSA-N 1 1 400.486 3.215 50 0 HGAAMO CCn1c2ccccc2n(CC(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1=O ZINC000079026695 569424871 /nfs/dbraw/zinc/42/48/71/569424871.db2.gz XVIRGQLABYFXRQ-MRXNPFEDSA-N 1 1 403.486 3.194 50 0 HGAAMO Cc1cccc2c(=O)c(C[NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)c(C)[nH]c12 ZINC000019793689 569429993 /nfs/dbraw/zinc/42/99/93/569429993.db2.gz RQDRMZPAEFRORV-UHFFFAOYSA-N 1 1 405.498 3.191 50 0 HGAAMO CCC[N@@H+]1CCc2nc(SCC(=O)NCCc3ccc(Cl)cc3)[nH]c(=O)c2C1 ZINC000067291827 571068357 /nfs/dbraw/zinc/06/83/57/571068357.db2.gz NUIDLSPUZFNDFJ-UHFFFAOYSA-N 1 1 420.966 3.055 50 0 HGAAMO CCC[N@H+]1CCc2nc(SCC(=O)NCCc3ccc(Cl)cc3)[nH]c(=O)c2C1 ZINC000067291827 571068358 /nfs/dbraw/zinc/06/83/58/571068358.db2.gz NUIDLSPUZFNDFJ-UHFFFAOYSA-N 1 1 420.966 3.055 50 0 HGAAMO Cc1oc2ncn(CC(C)C)c(=O)c2c1C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000008596526 571087856 /nfs/dbraw/zinc/08/78/56/571087856.db2.gz KKNVTJKHQYYPFT-UHFFFAOYSA-N 1 1 410.518 3.206 50 0 HGAAMO COc1ccc(OC)c([C@H](C)NC(=O)C[N@@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000039990665 571136683 /nfs/dbraw/zinc/13/66/83/571136683.db2.gz GBTODMZNICNMTQ-DLBZAZTESA-N 1 1 423.517 3.155 50 0 HGAAMO CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)CN1C(=O)COc2ccccc21 ZINC000040142735 571193593 /nfs/dbraw/zinc/19/35/93/571193593.db2.gz JQEZXAOGLWLDDD-QFIPXVFZSA-N 1 1 421.541 3.001 50 0 HGAAMO FC(F)(F)c1cccc(N2CCN(C3CC[NH+](Cc4cccnc4)CC3)CC2)n1 ZINC000245174459 571215368 /nfs/dbraw/zinc/21/53/68/571215368.db2.gz YNFNOZSQNYQEFM-UHFFFAOYSA-N 1 1 405.468 3.282 50 0 HGAAMO Cc1ccccc1[C@H]1CC(c2ccc(F)cc2)=NN1C(=O)C[NH+]1CCC(C(N)=O)CC1 ZINC000036342777 571317387 /nfs/dbraw/zinc/31/73/87/571317387.db2.gz UNQPPCWAGHIRRA-JOCHJYFZSA-N 1 1 422.504 3.009 50 0 HGAAMO CCCC[N@@H+](C)CCCNC(=O)[C@@]1(O)c2ccccc2NC(=O)N1c1ccccc1 ZINC000003670380 535217458 /nfs/dbraw/zinc/21/74/58/535217458.db2.gz JTIDQCNFPJQNJB-QHCPKHFHSA-N 1 1 410.518 3.122 50 0 HGAAMO COCC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccccc1Oc1ccccc1Cl ZINC000041923825 523577029 /nfs/dbraw/zinc/57/70/29/523577029.db2.gz AQLDRVZHDMBJNO-UHFFFAOYSA-N 1 1 419.909 3.155 50 0 HGAAMO Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CCCN(C(=O)c4ccoc4)C3)CC2)cc1 ZINC000032827642 524446712 /nfs/dbraw/zinc/44/67/12/524446712.db2.gz HNFMOQDXRCQFCX-NRFANRHFSA-N 1 1 409.530 3.175 50 0 HGAAMO COc1ccc(NC(=O)COc2coc(C[NH+]3CCCCC3)cc2=O)cc1Cl ZINC000044903534 524503389 /nfs/dbraw/zinc/50/33/89/524503389.db2.gz VGSAGJXGHSAMMW-UHFFFAOYSA-N 1 1 406.866 3.305 50 0 HGAAMO COc1ccc(N[C@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1OC(F)F ZINC000042642731 524707902 /nfs/dbraw/zinc/70/79/02/524707902.db2.gz OWZPCKRSPWXWBN-MRXNPFEDSA-N 1 1 419.472 3.441 50 0 HGAAMO COc1cccc(C(=O)N[C@@H](C)c2nnc3n2CC[N@H+](Cc2ccc(C)cc2)CC3)c1 ZINC000020600888 525824501 /nfs/dbraw/zinc/82/45/01/525824501.db2.gz RIDDYXKGZLPNJP-SFHVURJKSA-N 1 1 419.529 3.144 50 0 HGAAMO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1cn(-c2ccccc2C(F)(F)F)nn1 ZINC000032817026 526322217 /nfs/dbraw/zinc/32/22/17/526322217.db2.gz CQSXHRMOOZDOSM-UHFFFAOYSA-N 1 1 415.419 3.074 50 0 HGAAMO O=C(NCC[N@H+]1CCc2ccccc2C1)c1cn(-c2ccccc2C(F)(F)F)nn1 ZINC000032817026 526322221 /nfs/dbraw/zinc/32/22/21/526322221.db2.gz CQSXHRMOOZDOSM-UHFFFAOYSA-N 1 1 415.419 3.074 50 0 HGAAMO O=C(c1nc2ccccn2c1C[NH2+]Cc1cnn(Cc2ccccc2)c1)N1CCCC1 ZINC000019841000 526917991 /nfs/dbraw/zinc/91/79/91/526917991.db2.gz YEHMTCSXZXDHQJ-UHFFFAOYSA-N 1 1 414.513 3.105 50 0 HGAAMO NC(=O)c1ccc(NC(=O)C[NH+]2CCC(COCc3ccc(Cl)cc3)CC2)cc1 ZINC000077191623 527058766 /nfs/dbraw/zinc/05/87/66/527058766.db2.gz FRMRAPNAPPOBSU-UHFFFAOYSA-N 1 1 415.921 3.306 50 0 HGAAMO COc1cccc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cc(CC(C)C)n[nH]3)C2)c1OC ZINC000011754190 558273161 /nfs/dbraw/zinc/27/31/61/558273161.db2.gz JJNGVANVENLHMO-KRWDZBQOSA-N 1 1 414.550 3.267 50 0 HGAAMO COc1cccc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cc(CC(C)C)n[nH]3)C2)c1OC ZINC000011754190 558273163 /nfs/dbraw/zinc/27/31/63/558273163.db2.gz JJNGVANVENLHMO-KRWDZBQOSA-N 1 1 414.550 3.267 50 0 HGAAMO O=C(c1ccccc1)c1ccc(OC[C@@H](O)C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000019831704 558291642 /nfs/dbraw/zinc/29/16/42/558291642.db2.gz JOZPIUKCOKSXEJ-DEOSSOPVSA-N 1 1 416.521 3.480 50 0 HGAAMO O=C(c1cccc(OC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)c1)N1CCOCC1 ZINC000011878916 558293348 /nfs/dbraw/zinc/29/33/48/558293348.db2.gz PTLGBLYMRLGQLM-UHFFFAOYSA-N 1 1 416.468 3.481 50 0 HGAAMO CC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]([N@@H+](C)CCc3ccccc3)C2)cc1 ZINC000011879442 558293943 /nfs/dbraw/zinc/29/39/43/558293943.db2.gz DBMVNIWGBFDOIP-NRFANRHFSA-N 1 1 400.544 3.217 50 0 HGAAMO CCCc1cc(CN(C)Cc2ccc(OC)c(OC[C@H](O)C[N@@H+](C)C(C)C)c2)[nH]n1 ZINC000011935392 558299411 /nfs/dbraw/zinc/29/94/11/558299411.db2.gz ZXCNWDMIPBCYRE-OAQYLSRUSA-N 1 1 418.582 3.083 50 0 HGAAMO CCCc1cc(CN(C)Cc2ccc(OC)c(OC[C@H](O)C[N@H+](C)C(C)C)c2)n[nH]1 ZINC000011935392 558299413 /nfs/dbraw/zinc/29/94/13/558299413.db2.gz ZXCNWDMIPBCYRE-OAQYLSRUSA-N 1 1 418.582 3.083 50 0 HGAAMO CCCc1cc(CN(C)Cc2ccc(OC)c(OC[C@H](O)C[N@@H+](C)C(C)C)c2)n[nH]1 ZINC000011935392 558299415 /nfs/dbraw/zinc/29/94/15/558299415.db2.gz ZXCNWDMIPBCYRE-OAQYLSRUSA-N 1 1 418.582 3.083 50 0 HGAAMO CC(C)=CCC[C@@H](C)C[N@@H+]1CCc2nnc(CNC(=O)Cc3ccccc3)n2CC1 ZINC000012034758 558311604 /nfs/dbraw/zinc/31/16/04/558311604.db2.gz XKEWMCNIGWGSMH-HXUWFJFHSA-N 1 1 409.578 3.378 50 0 HGAAMO CSc1cccc(C[NH2+]Cc2ccccc2OC[C@@H](O)CN2CCSCC2)c1 ZINC000012075923 558319692 /nfs/dbraw/zinc/31/96/92/558319692.db2.gz HHCDDLSPJWZBIW-FQEVSTJZSA-N 1 1 418.628 3.487 50 0 HGAAMO C[C@H](NC(=O)CCc1ccccc1)c1nnc2n1CC[N@H+](Cc1cccs1)CC2 ZINC000012127427 558331582 /nfs/dbraw/zinc/33/15/82/558331582.db2.gz VSNVBXIBXZVYLW-KRWDZBQOSA-N 1 1 409.559 3.208 50 0 HGAAMO CC[N@H+](CCn1cccn1)Cc1c(C(=O)N(C)Cc2ccccc2)nc2ccccn21 ZINC000020168421 558343066 /nfs/dbraw/zinc/34/30/66/558343066.db2.gz PONQLMCKLFNSOO-UHFFFAOYSA-N 1 1 416.529 3.325 50 0 HGAAMO CC[N@@H+](CCn1cccn1)Cc1c(C(=O)N(C)Cc2ccccc2)nc2ccccn21 ZINC000020168421 558343067 /nfs/dbraw/zinc/34/30/67/558343067.db2.gz PONQLMCKLFNSOO-UHFFFAOYSA-N 1 1 416.529 3.325 50 0 HGAAMO CN(C(=O)c1cc(=O)c2ccccc2o1)[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012298820 558369096 /nfs/dbraw/zinc/36/90/96/558369096.db2.gz RQCCJWHTHXQRDR-LJQANCHMSA-N 1 1 402.494 3.497 50 0 HGAAMO COc1ccc(C[N@@H+]2CCc3nnc([C@H](CC(C)C)NC(C)=O)n3CC2)c(C)c1C ZINC000020455598 558369175 /nfs/dbraw/zinc/36/91/75/558369175.db2.gz CUWGQUCIJGOYPV-FQEVSTJZSA-N 1 1 413.566 3.185 50 0 HGAAMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H]1CCC(=O)N(Cc2ccccc2F)C1 ZINC000012302329 558372162 /nfs/dbraw/zinc/37/21/62/558372162.db2.gz MBJSSNJVQLYTKE-HXUWFJFHSA-N 1 1 420.488 3.375 50 0 HGAAMO Cc1nnc(SCC(=O)N(C)C[C@@H]2CCC[N@@H+](CCc3ccc(F)cc3)C2)s1 ZINC000012315052 558378291 /nfs/dbraw/zinc/37/82/91/558378291.db2.gz GBSCSQFFUIHVGA-KRWDZBQOSA-N 1 1 422.595 3.491 50 0 HGAAMO COc1ccc(Cc2nc3ccc(C(=O)NCCn4cc[nH+]c4C)cc3o2)cc1OC ZINC000012316735 558379863 /nfs/dbraw/zinc/37/98/63/558379863.db2.gz STYULCIZNRRGCC-UHFFFAOYSA-N 1 1 420.469 3.371 50 0 HGAAMO CCN1CC[NH+](CCc2nc3cc(NC(=O)c4ccc(OC)cc4)ccc3n2C)CC1 ZINC000020518460 558383404 /nfs/dbraw/zinc/38/34/04/558383404.db2.gz MIDOWNLRQXQDOO-UHFFFAOYSA-N 1 1 421.545 3.014 50 0 HGAAMO Cc1nn(C)c(Cl)c1C[N@H+]1CCC[C@@H](C(=O)Nc2cccc(-n3cccn3)c2)C1 ZINC000012387350 558396061 /nfs/dbraw/zinc/39/60/61/558396061.db2.gz CINXIDBRTUEDTE-MRXNPFEDSA-N 1 1 412.925 3.418 50 0 HGAAMO CCOc1ccc(C[N@@H+]2CCC[C@H](N3CCN(c4ccccc4)CC3)C2)cc1CO ZINC000020869286 558418345 /nfs/dbraw/zinc/41/83/45/558418345.db2.gz NSNGXEOAIWSEHE-DEOSSOPVSA-N 1 1 409.574 3.364 50 0 HGAAMO CCOc1ccc(C[N@H+]2CCC[C@H](N3CCN(c4ccccc4)CC3)C2)cc1CO ZINC000020869286 558418347 /nfs/dbraw/zinc/41/83/47/558418347.db2.gz NSNGXEOAIWSEHE-DEOSSOPVSA-N 1 1 409.574 3.364 50 0 HGAAMO Cc1nonc1CC(=O)N(C)C[C@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000012476192 558422902 /nfs/dbraw/zinc/42/29/02/558422902.db2.gz JLEHXDYLJZJCPS-QGZVFWFLSA-N 1 1 424.467 3.352 50 0 HGAAMO COc1cccc(N2CCC([N@H+]3CCN(CCc4ccccc4)[C@@H](CCO)C3)CC2)c1 ZINC000020998016 558427457 /nfs/dbraw/zinc/42/74/57/558427457.db2.gz RTLBXEILTLGVTR-VWLOTQADSA-N 1 1 423.601 3.275 50 0 HGAAMO COc1cccc(N2CCC(N3CC[N@H+](CCc4ccccc4)[C@@H](CCO)C3)CC2)c1 ZINC000020998016 558427460 /nfs/dbraw/zinc/42/74/60/558427460.db2.gz RTLBXEILTLGVTR-VWLOTQADSA-N 1 1 423.601 3.275 50 0 HGAAMO COc1cccc(N2CCC(N3CC[N@@H+](CCc4ccccc4)[C@@H](CCO)C3)CC2)c1 ZINC000020998016 558427462 /nfs/dbraw/zinc/42/74/62/558427462.db2.gz RTLBXEILTLGVTR-VWLOTQADSA-N 1 1 423.601 3.275 50 0 HGAAMO CCN(Cc1cnn(C)c1)Cc1ccccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012576895 558431395 /nfs/dbraw/zinc/43/13/95/558431395.db2.gz XZFAXBGQDITLNB-HSZRJFAPSA-N 1 1 414.594 3.446 50 0 HGAAMO COc1cccc(C[N@H+]2CCC[C@]3(CCN(C(=O)CC(F)(F)F)C3)C2)c1OC ZINC000012585776 558433916 /nfs/dbraw/zinc/43/39/16/558433916.db2.gz ZRXCPARCNJKGSN-IBGZPJMESA-N 1 1 400.441 3.471 50 0 HGAAMO Cc1nc(N2CCCC2)cc(N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)[nH+]1 ZINC000021795048 558449125 /nfs/dbraw/zinc/44/91/25/558449125.db2.gz LPCKSMNBZXGKAR-UHFFFAOYSA-N 1 1 400.914 3.393 50 0 HGAAMO COc1cccc(C[N@H+](C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C(F)(F)F)c1 ZINC000012748397 558458713 /nfs/dbraw/zinc/45/87/13/558458713.db2.gz WFBGYNFJGUFELI-GOSISDBHSA-N 1 1 421.419 3.433 50 0 HGAAMO COc1cccc(C[N@@H+](C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C(F)(F)F)c1 ZINC000012748397 558458715 /nfs/dbraw/zinc/45/87/15/558458715.db2.gz WFBGYNFJGUFELI-GOSISDBHSA-N 1 1 421.419 3.433 50 0 HGAAMO Cc1nn(Cc2ccc(C)cc2)c2sc(C(=O)NCCC[NH+]3CCOCC3)cc12 ZINC000012788252 558464011 /nfs/dbraw/zinc/46/40/11/558464011.db2.gz IFCMODWOPYCXBJ-UHFFFAOYSA-N 1 1 412.559 3.215 50 0 HGAAMO O=C([C@@H](c1ccccc1)[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)N1CCOCC1 ZINC000012983830 558494558 /nfs/dbraw/zinc/49/45/58/558494558.db2.gz FNNGHTLITBJVNC-NFBKMPQASA-N 1 1 408.498 3.195 50 0 HGAAMO O=C([C@@H](c1ccccc1)[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)N1CCOCC1 ZINC000012983830 558494561 /nfs/dbraw/zinc/49/45/61/558494561.db2.gz FNNGHTLITBJVNC-NFBKMPQASA-N 1 1 408.498 3.195 50 0 HGAAMO Cc1ccc(Nc2nc(N)nc(CN3CC[NH+](Cc4ccccc4)CC3)n2)c(C)c1 ZINC000022783211 558510264 /nfs/dbraw/zinc/51/02/64/558510264.db2.gz RABVEOSLMQGFAO-UHFFFAOYSA-N 1 1 403.534 3.132 50 0 HGAAMO Cn1cc(C[N@@H+]2CCC[C@@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)cn1 ZINC000022851658 558516859 /nfs/dbraw/zinc/51/68/59/558516859.db2.gz CBAVPJWUJZODOZ-HXUWFJFHSA-N 1 1 407.484 3.226 50 0 HGAAMO Cn1cc(C[N@H+]2CCC[C@@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)cn1 ZINC000022851658 558516861 /nfs/dbraw/zinc/51/68/61/558516861.db2.gz CBAVPJWUJZODOZ-HXUWFJFHSA-N 1 1 407.484 3.226 50 0 HGAAMO CCN1CC[NH+](Cc2ccc(NC(=O)COCc3cc(-c4ccco4)on3)cc2)CC1 ZINC000022936504 558527138 /nfs/dbraw/zinc/52/71/38/558527138.db2.gz ULIYMKNKKBLIEK-UHFFFAOYSA-N 1 1 424.501 3.227 50 0 HGAAMO CCc1ccc(C[N@H+]2CCC[C@H](CNS(=O)(=O)c3ccc(OC)cc3)C2)cc1 ZINC000013545297 558537902 /nfs/dbraw/zinc/53/79/02/558537902.db2.gz YBFZLHSAEWNIAJ-HXUWFJFHSA-N 1 1 402.560 3.448 50 0 HGAAMO CCc1cc2c(CN3CC[NH+](CCOc4ccccc4)CC3)cc(=O)oc2cc1O ZINC000023333934 558549772 /nfs/dbraw/zinc/54/97/72/558549772.db2.gz AQQXKFMTUZHSKV-UHFFFAOYSA-N 1 1 408.498 3.258 50 0 HGAAMO COc1cc(Cl)c(CN2CC[N@@H+](Cc3ccccc3)[C@@H](CCO)C2)cc1OC ZINC000023374005 558553938 /nfs/dbraw/zinc/55/39/38/558553938.db2.gz BIYDENYUONLJES-IBGZPJMESA-N 1 1 404.938 3.426 50 0 HGAAMO COc1ccc(CN2CC[N@H+](Cc3cccc(C)n3)[C@@H](CCO)C2)c(Cl)c1OC ZINC000023374817 558554527 /nfs/dbraw/zinc/55/45/27/558554527.db2.gz UORYANZXAPZQNG-IBGZPJMESA-N 1 1 419.953 3.129 50 0 HGAAMO COc1ccc(CN2CC[N@@H+](Cc3cccc(C)n3)[C@@H](CCO)C2)c(Cl)c1OC ZINC000023374817 558554530 /nfs/dbraw/zinc/55/45/30/558554530.db2.gz UORYANZXAPZQNG-IBGZPJMESA-N 1 1 419.953 3.129 50 0 HGAAMO O[C@H](COc1cccc(Br)c1)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000023386866 558556219 /nfs/dbraw/zinc/55/62/19/558556219.db2.gz YCSAQCSWONFMLP-INIZCTEOSA-N 1 1 409.299 3.150 50 0 HGAAMO Cc1cccc(C[NH+]2CCN(C(=O)CCc3nc(-c4ccc(F)cc4)no3)CC2)c1 ZINC000023788771 558575931 /nfs/dbraw/zinc/57/59/31/558575931.db2.gz VWNJSFDJYKLGSE-UHFFFAOYSA-N 1 1 408.477 3.461 50 0 HGAAMO CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000013714151 558577732 /nfs/dbraw/zinc/57/77/32/558577732.db2.gz GOKQVHHBOIENNV-KGLIPLIRSA-N 1 1 417.506 3.421 50 0 HGAAMO O=C(c1cc(-c2cccnc2)nc2ccccc21)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000023882799 558580086 /nfs/dbraw/zinc/58/00/86/558580086.db2.gz ZQYRMILZAOFMPU-IBGZPJMESA-N 1 1 402.498 3.234 50 0 HGAAMO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N2CCN(Cc3ccccc3)CC2)c(OC)c1 ZINC000024241685 558593131 /nfs/dbraw/zinc/59/31/31/558593131.db2.gz NBOKOZFDVXBYLH-QHCPKHFHSA-N 1 1 423.557 3.185 50 0 HGAAMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N2CCN(Cc3ccccc3)CC2)c(OC)c1 ZINC000024241685 558593134 /nfs/dbraw/zinc/59/31/34/558593134.db2.gz NBOKOZFDVXBYLH-QHCPKHFHSA-N 1 1 423.557 3.185 50 0 HGAAMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)NCCCCOc1ccc(Cl)cc1 ZINC000026249268 558657868 /nfs/dbraw/zinc/65/78/68/558657868.db2.gz AIQLTXJABFAWNO-UHFFFAOYSA-N 1 1 415.965 3.433 50 0 HGAAMO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+](C)CCN1C(=O)NC(C)(C)C1=O ZINC000026913115 558666929 /nfs/dbraw/zinc/66/69/29/558666929.db2.gz XCHDRRUOCLWQAF-MRXNPFEDSA-N 1 1 408.502 3.262 50 0 HGAAMO CN(C[C@@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)Cn1cccn1 ZINC000014965612 558685605 /nfs/dbraw/zinc/68/56/05/558685605.db2.gz POHLASJYSOXEDC-SFHVURJKSA-N 1 1 408.468 3.315 50 0 HGAAMO O=C(CC1=CSC2=NCCN12)N1CC[C@]2(C1)CCC[N@H+](Cc1ccc(F)cc1)C2 ZINC000015063220 558705806 /nfs/dbraw/zinc/70/58/06/558705806.db2.gz PITXUUHWSSCJPL-JOCHJYFZSA-N 1 1 414.550 3.290 50 0 HGAAMO COc1ccc(OCc2cc(C(=O)N3CC[N@H+]4CCC[C@@H]4C3)no2)c2ccccc12 ZINC000015064169 558707073 /nfs/dbraw/zinc/70/70/73/558707073.db2.gz IYCMHVWVVFNTGX-MRXNPFEDSA-N 1 1 407.470 3.336 50 0 HGAAMO COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H]([N@@H+](C)CCc3ccccc3)C2)c1 ZINC000015066317 558709120 /nfs/dbraw/zinc/70/91/20/558709120.db2.gz KZURAADQHPYANY-IBGZPJMESA-N 1 1 418.559 3.031 50 0 HGAAMO O=C(CCNC(=O)c1ccc(Cl)cc1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000029773158 558720675 /nfs/dbraw/zinc/72/06/75/558720675.db2.gz CUJYKVRYYFQWLD-UHFFFAOYSA-N 1 1 417.912 3.334 50 0 HGAAMO O=C(CCNC(=O)c1ccc(Cl)cc1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000029773158 558720678 /nfs/dbraw/zinc/72/06/78/558720678.db2.gz CUJYKVRYYFQWLD-UHFFFAOYSA-N 1 1 417.912 3.334 50 0 HGAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000029992222 558725599 /nfs/dbraw/zinc/72/55/99/558725599.db2.gz YABUQPVSBFVIRL-OAQYLSRUSA-N 1 1 402.535 3.009 50 0 HGAAMO Cc1ccccc1C(=O)N1CCC(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000030029475 558726412 /nfs/dbraw/zinc/72/64/12/558726412.db2.gz VRDVPNZMNPXSPW-QHCPKHFHSA-N 1 1 405.542 3.363 50 0 HGAAMO Cc1ccccc1C(=O)N1CCC(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000030029475 558726415 /nfs/dbraw/zinc/72/64/15/558726415.db2.gz VRDVPNZMNPXSPW-QHCPKHFHSA-N 1 1 405.542 3.363 50 0 HGAAMO CN(C)c1nc(N2CCN(c3nc(-c4ccccc4)nc4ccccc43)CC2)cc[nH+]1 ZINC000072292435 558735095 /nfs/dbraw/zinc/73/50/95/558735095.db2.gz UKWHTJSEGRBAFZ-UHFFFAOYSA-N 1 1 411.513 3.479 50 0 HGAAMO Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000072296023 558748953 /nfs/dbraw/zinc/74/89/53/558748953.db2.gz CSHCHLRAVWKDSV-GHTZIAJQSA-N 1 1 402.583 3.124 50 0 HGAAMO COc1ccc(CNC(=O)[C@@H](C)[NH+]2CCC(O)(c3ccccc3C)CC2)cc1OC ZINC000072304938 558757266 /nfs/dbraw/zinc/75/72/66/558757266.db2.gz DTMRVQRHGUQWPO-GOSISDBHSA-N 1 1 412.530 3.001 50 0 HGAAMO CN(CC[C@H]1CCCC[N@H+]1C)CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000072305206 558757852 /nfs/dbraw/zinc/75/78/52/558757852.db2.gz YVNSUGAXMHFDBV-MRXNPFEDSA-N 1 1 424.471 3.031 50 0 HGAAMO CCc1ccc([C@H](C)NC(=O)[C@@H](C)N2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000072305621 558762134 /nfs/dbraw/zinc/76/21/34/558762134.db2.gz FZVQBVBSEZYQMJ-VQTJNVASSA-N 1 1 401.595 3.392 50 0 HGAAMO C[C@@]1(COC(=O)CCNC(=O)OCC(F)(F)F)CCC[N@H+]1Cc1ccccc1 ZINC000072310752 558777963 /nfs/dbraw/zinc/77/79/63/558777963.db2.gz MJCSJXZMMZAHSV-SFHVURJKSA-N 1 1 402.413 3.263 50 0 HGAAMO COc1cccc(C[N@@H+](C[C@H](O)COC(C)C)C[C@@H]2CC(c3ccccc3)=NO2)c1 ZINC000036146487 558798094 /nfs/dbraw/zinc/79/80/94/558798094.db2.gz YFXVDJMYIPCDOF-GMAHTHKFSA-N 1 1 412.530 3.476 50 0 HGAAMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(I)cc1 ZINC000032986435 558806556 /nfs/dbraw/zinc/80/65/56/558806556.db2.gz MFBBCGKWKPHSDO-KRWDZBQOSA-N 1 1 406.267 3.296 50 0 HGAAMO COc1cccc(CN2CC[N@@H+](Cc3ccc(-n4cccn4)cc3C)C[C@H]2CCO)c1 ZINC000039455522 558821458 /nfs/dbraw/zinc/82/14/58/558821458.db2.gz FCHUTMMZICIQPB-XMMPIXPASA-N 1 1 420.557 3.258 50 0 HGAAMO COc1cccc(C[N@@H+]2CCN(Cc3ccc(-n4cccn4)cc3C)C[C@H]2CCO)c1 ZINC000039455522 558821460 /nfs/dbraw/zinc/82/14/60/558821460.db2.gz FCHUTMMZICIQPB-XMMPIXPASA-N 1 1 420.557 3.258 50 0 HGAAMO COc1cccc(C[N@H+]2CCN(Cc3ccc(-n4cccn4)cc3C)C[C@H]2CCO)c1 ZINC000039455522 558821461 /nfs/dbraw/zinc/82/14/61/558821461.db2.gz FCHUTMMZICIQPB-XMMPIXPASA-N 1 1 420.557 3.258 50 0 HGAAMO COc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C)C4)cc1Br ZINC000004592669 558830536 /nfs/dbraw/zinc/83/05/36/558830536.db2.gz IGLCTQAVFAQXMK-HNNXBMFYSA-N 1 1 408.321 3.361 50 0 HGAAMO COc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C)C4)cc1Br ZINC000004592669 558830538 /nfs/dbraw/zinc/83/05/38/558830538.db2.gz IGLCTQAVFAQXMK-HNNXBMFYSA-N 1 1 408.321 3.361 50 0 HGAAMO CC[NH+]1CCN(C(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)CC1 ZINC000033013511 558832983 /nfs/dbraw/zinc/83/29/83/558832983.db2.gz SGJNQVJHGHQZQX-UHFFFAOYSA-N 1 1 407.543 3.191 50 0 HGAAMO OCC[C@H]1CN(Cc2cnn(-c3cccc(F)c3)c2)CC[N@@H+]1Cc1cccs1 ZINC000019299933 558866099 /nfs/dbraw/zinc/86/60/99/558866099.db2.gz QCPOLTIVSDRQDB-FQEVSTJZSA-N 1 1 400.523 3.142 50 0 HGAAMO OCC[C@H]1CN(Cc2cnn(-c3cccc(F)c3)c2)CC[N@H+]1Cc1cccs1 ZINC000019299933 558866101 /nfs/dbraw/zinc/86/61/01/558866101.db2.gz QCPOLTIVSDRQDB-FQEVSTJZSA-N 1 1 400.523 3.142 50 0 HGAAMO CCn1nc(C)c(C[N@@H+](CCOC)C[C@]2(c3cccc(OC)c3)CCOC2)c1C ZINC000055042367 558870625 /nfs/dbraw/zinc/87/06/25/558870625.db2.gz DPDAEHXUHXSERT-HSZRJFAPSA-N 1 1 401.551 3.335 50 0 HGAAMO CCOC(=O)C1C(C[N@@H+]2C[C@H](C)C[C@H](C)C2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000055220595 558876437 /nfs/dbraw/zinc/87/64/37/558876437.db2.gz GNKWWMYSQVHRQX-BIENJYKASA-N 1 1 405.926 3.489 50 0 HGAAMO CCOC(=O)C1=C(C[N@H+]2C[C@H](C)C[C@H](C)C2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000055220595 558876438 /nfs/dbraw/zinc/87/64/38/558876438.db2.gz GNKWWMYSQVHRQX-BIENJYKASA-N 1 1 405.926 3.489 50 0 HGAAMO CCOC(=O)C1=C(C[N@@H+]2C[C@H](C)C[C@H](C)C2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000055220595 558876440 /nfs/dbraw/zinc/87/64/40/558876440.db2.gz GNKWWMYSQVHRQX-BIENJYKASA-N 1 1 405.926 3.489 50 0 HGAAMO Cc1sc2nc(CCC(=O)NCCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)[nH]c(=O)c2c1C ZINC000058023499 558896088 /nfs/dbraw/zinc/89/60/88/558896088.db2.gz KYZISGOJBPEHSY-GASCZTMLSA-N 1 1 418.607 3.408 50 0 HGAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)C1 ZINC000058144085 558901698 /nfs/dbraw/zinc/90/16/98/558901698.db2.gz ZTFOQFMVYLFUOG-XQBPLPMBSA-N 1 1 423.557 3.422 50 0 HGAAMO COc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000058305414 558918187 /nfs/dbraw/zinc/91/81/87/558918187.db2.gz NEDBFUIGVSDYFU-OAHLLOKOSA-N 1 1 407.474 3.347 50 0 HGAAMO O=C(NC1CCCCC1)C1CC[NH+](CCCS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000058407636 558924862 /nfs/dbraw/zinc/92/48/62/558924862.db2.gz WOKKHCFCCFKOPA-UHFFFAOYSA-N 1 1 410.555 3.150 50 0 HGAAMO C[C@H](CNC(=O)NC[C@@H]1CCN(c2ccc(F)cc2)C1)[N@H+]1CCc2ccccc2C1 ZINC000058415921 558925287 /nfs/dbraw/zinc/92/52/87/558925287.db2.gz JBJMMQAHGMGAEP-MOPGFXCFSA-N 1 1 410.537 3.398 50 0 HGAAMO CC[C@@](C)(CNC(=O)Nc1ccc(C(=O)Nc2nccs2)cc1)[NH+]1CCOCC1 ZINC000058438406 558927087 /nfs/dbraw/zinc/92/70/87/558927087.db2.gz DBKPEQXYKJIJBQ-FQEVSTJZSA-N 1 1 417.535 3.018 50 0 HGAAMO C[N@@H+](CCCNC(=O)c1nnc(C(=O)Nc2ccc(F)cc2)s1)C1CCCCC1 ZINC000033060273 558954682 /nfs/dbraw/zinc/95/46/82/558954682.db2.gz WWCSFELMXJHABV-UHFFFAOYSA-N 1 1 419.526 3.314 50 0 HGAAMO COCC[N@H+](Cc1ccc(F)cc1)Cc1cc(=O)n2c3c(sc2n1)CCCC3 ZINC000033068907 558970890 /nfs/dbraw/zinc/97/08/90/558970890.db2.gz LCLKTLAOTHGGGO-UHFFFAOYSA-N 1 1 401.507 3.423 50 0 HGAAMO COCC[N@@H+](Cc1ccc(F)cc1)Cc1cc(=O)n2c3c(sc2n1)CCCC3 ZINC000033068907 558970893 /nfs/dbraw/zinc/97/08/93/558970893.db2.gz LCLKTLAOTHGGGO-UHFFFAOYSA-N 1 1 401.507 3.423 50 0 HGAAMO O=C(C1CC[NH+](C2CCN(CCCc3ccccc3)CC2)CC1)N1CCSCC1 ZINC000067771500 558992731 /nfs/dbraw/zinc/99/27/31/558992731.db2.gz JUDJZSLYATWSCD-UHFFFAOYSA-N 1 1 415.647 3.371 50 0 HGAAMO O=C(C1CCN(C2CC[NH+](CCCc3ccccc3)CC2)CC1)N1CCSCC1 ZINC000067771500 558992733 /nfs/dbraw/zinc/99/27/33/558992733.db2.gz JUDJZSLYATWSCD-UHFFFAOYSA-N 1 1 415.647 3.371 50 0 HGAAMO CC(C)OC(=O)c1ccc(NC(=O)CN2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000023039750 558993000 /nfs/dbraw/zinc/99/30/00/558993000.db2.gz VZKCELDZIPOQRK-UHFFFAOYSA-N 1 1 409.530 3.398 50 0 HGAAMO CC[NH+]1CCN(C(=O)c2ccc3c(c2)n(CC2CC2)c(=O)n3C2CCCCC2)CC1 ZINC000077376835 559002671 /nfs/dbraw/zinc/00/26/71/559002671.db2.gz VAWLEMNZBPJNSJ-UHFFFAOYSA-N 1 1 410.562 3.496 50 0 HGAAMO Cc1ccccc1CNC(=O)[C@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082097598 559037717 /nfs/dbraw/zinc/03/77/17/559037717.db2.gz PKCJMEKDAAZVHW-QHCPKHFHSA-N 1 1 406.574 3.383 50 0 HGAAMO CN(C(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1)C(C1CC1)C1CC1 ZINC000082106169 559038084 /nfs/dbraw/zinc/03/80/84/559038084.db2.gz OCLXAYVGJPOPBE-JOCHJYFZSA-N 1 1 410.606 3.405 50 0 HGAAMO CC(C)SCCNC(=O)[C@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082107906 559038406 /nfs/dbraw/zinc/03/84/06/559038406.db2.gz FXBLNFVEWFWRIS-FQEVSTJZSA-N 1 1 404.624 3.016 50 0 HGAAMO O=C(NCc1ccccn1)[C@@H]1CCC[N@H+](C2CCN(Cc3ccccc3F)CC2)C1 ZINC000082121524 559039556 /nfs/dbraw/zinc/03/95/56/559039556.db2.gz BBUGBQSVGGNUFV-HXUWFJFHSA-N 1 1 410.537 3.214 50 0 HGAAMO COCCCN1CC2(CCC1=O)CC[NH+](Cc1c[nH]c(CC3CCCC3)n1)CC2 ZINC000091586713 559072324 /nfs/dbraw/zinc/07/23/24/559072324.db2.gz RBPXOKLBLIWQEU-UHFFFAOYSA-N 1 1 402.583 3.384 50 0 HGAAMO CSCCCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC000091893819 559074378 /nfs/dbraw/zinc/07/43/78/559074378.db2.gz DXXFZDZNXSQUPT-OAQYLSRUSA-N 1 1 415.647 3.200 50 0 HGAAMO CSCCCNC(=O)[C@@H]1CCC[N@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC000091893819 559074380 /nfs/dbraw/zinc/07/43/80/559074380.db2.gz DXXFZDZNXSQUPT-OAQYLSRUSA-N 1 1 415.647 3.200 50 0 HGAAMO O=C(C1CC1)N1CCc2nc[nH]c2C12CC[NH+](Cc1ccnc3ccccc13)CC2 ZINC000095509465 559083680 /nfs/dbraw/zinc/08/36/80/559083680.db2.gz BREHDPSDOHEALK-UHFFFAOYSA-N 1 1 401.514 3.244 50 0 HGAAMO Cc1cc(=O)c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1-c1ccccc1Cl ZINC000014092893 559150496 /nfs/dbraw/zinc/15/04/96/559150496.db2.gz IZPZUIDIGYWROX-GOSISDBHSA-N 1 1 422.916 3.199 50 0 HGAAMO Cc1cc(=O)c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1-c1ccccc1Cl ZINC000014092893 559150497 /nfs/dbraw/zinc/15/04/97/559150497.db2.gz IZPZUIDIGYWROX-GOSISDBHSA-N 1 1 422.916 3.199 50 0 HGAAMO O=C([C@@H]([NH2+]Cc1ccccc1CN1CCOCC1)c1ccccc1)N1CCCCC1 ZINC000084519412 559153322 /nfs/dbraw/zinc/15/33/22/559153322.db2.gz CRYPOTPDKSABGQ-DEOSSOPVSA-N 1 1 407.558 3.362 50 0 HGAAMO Cc1cc(OC[C@H](O)C[NH+]2CCN(c3ncccn3)CC2)c(C(C)C)cc1Cl ZINC000014200873 559156639 /nfs/dbraw/zinc/15/66/39/559156639.db2.gz IWVFAOAZTMZXLR-QGZVFWFLSA-N 1 1 404.942 3.124 50 0 HGAAMO CC[C@H]1CCCC[N@H+]1CC(=O)Nc1c2cc(OC)c(OC)cc2[nH]c1C(=O)OC ZINC000004837579 559166619 /nfs/dbraw/zinc/16/66/19/559166619.db2.gz PJHAJYOWYUVRSL-ZDUSSCGKSA-N 1 1 403.479 3.175 50 0 HGAAMO CN(Cc1cccc(O)c1)C(=O)N[C@H](C[N@H+](C)C1CCN(C)CC1)c1ccccc1 ZINC000050135140 559179327 /nfs/dbraw/zinc/17/93/27/559179327.db2.gz KYQZYZJAIAKRQN-HSZRJFAPSA-N 1 1 410.562 3.301 50 0 HGAAMO CN(Cc1cccc(O)c1)C(=O)N[C@H](C[N@@H+](C)C1CCN(C)CC1)c1ccccc1 ZINC000050135140 559179330 /nfs/dbraw/zinc/17/93/30/559179330.db2.gz KYQZYZJAIAKRQN-HSZRJFAPSA-N 1 1 410.562 3.301 50 0 HGAAMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CSc2nnc(C3CC3)n2C2CC2)CC1 ZINC000024013986 559187561 /nfs/dbraw/zinc/18/75/61/559187561.db2.gz DSQMJYHJFBERQC-MRXNPFEDSA-N 1 1 411.575 3.488 50 0 HGAAMO Cc1ccc2oc(=O)c3cnn(CC(=O)NCCC[N@@H+]4[C@H](C)CCC[C@@H]4C)c3c2c1 ZINC000004961872 559217891 /nfs/dbraw/zinc/21/78/91/559217891.db2.gz NPMVAMSPXLHZEC-CALCHBBNSA-N 1 1 410.518 3.220 50 0 HGAAMO CCc1ccc(-c2nc(C[N@H+]3CCC[C@H](C(=O)NCC(OC)OC)C3)c(C)o2)cc1 ZINC000005055987 559237698 /nfs/dbraw/zinc/23/76/98/559237698.db2.gz PYOZYTFYSXGOHJ-IBGZPJMESA-N 1 1 415.534 3.160 50 0 HGAAMO Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000247954893 559256568 /nfs/dbraw/zinc/25/65/68/559256568.db2.gz NSFVCQRQGUFABE-KSZLIROESA-N 1 1 407.580 3.084 50 0 HGAAMO C/C=C(\C)C[N@@H+]1CCc2c(C(=O)N(C)[C@H](C)c3ccco3)c(OC)cc(=O)n2CC1 ZINC000011980204 559269711 /nfs/dbraw/zinc/26/97/11/559269711.db2.gz KAOAQGGRUSKUAC-UMNNMYMZSA-N 1 1 413.518 3.107 50 0 HGAAMO C/C=C(\C)C[N@H+]1CCc2c(C(=O)N(C)[C@H](C)c3ccco3)c(OC)cc(=O)n2CC1 ZINC000011980204 559269712 /nfs/dbraw/zinc/26/97/12/559269712.db2.gz KAOAQGGRUSKUAC-UMNNMYMZSA-N 1 1 413.518 3.107 50 0 HGAAMO CC[N@@H+]1CCc2c(sc(NC(=O)CCSc3ccc(F)cc3)c2C(N)=O)C1 ZINC000005192752 559291610 /nfs/dbraw/zinc/29/16/10/559291610.db2.gz RQAKJCMBQLZUAS-UHFFFAOYSA-N 1 1 407.536 3.485 50 0 HGAAMO CC[N@H+]1CCc2c(sc(NC(=O)CCSc3ccc(F)cc3)c2C(N)=O)C1 ZINC000005192752 559291611 /nfs/dbraw/zinc/29/16/11/559291611.db2.gz RQAKJCMBQLZUAS-UHFFFAOYSA-N 1 1 407.536 3.485 50 0 HGAAMO CC1=C2C[C@H]3[C@@H](C[NH+]4CCN(C(=O)c5ccco5)CC4)C(=O)O[C@H]3C[C@]2(C)CCC1 ZINC000033925139 560539863 /nfs/dbraw/zinc/53/98/63/560539863.db2.gz UFAAOAUAAMIQQW-QNJCZANYSA-N 1 1 412.530 3.496 50 0 HGAAMO CCc1cc(=O)oc2cc(C)cc(OCC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)c12 ZINC000079188814 560541590 /nfs/dbraw/zinc/54/15/90/560541590.db2.gz ZGEOFWSOSHNWQY-RBUKOAKNSA-N 1 1 412.530 3.423 50 0 biogenic HGAAMO CC[N@H+]1CCC[C@@H](NC(=O)c2nc3nc(-c4ccccc4)cc(C(F)(F)F)n3n2)C1 ZINC000005509806 560600870 /nfs/dbraw/zinc/60/08/70/560600870.db2.gz FYZKAUFDLDIJRM-CQSZACIVSA-N 1 1 418.423 3.024 50 0 HGAAMO COc1cc(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc(Cl)c1OC ZINC000018217117 560784935 /nfs/dbraw/zinc/78/49/35/560784935.db2.gz PDTSKHPSVLAMAO-UHFFFAOYSA-N 1 1 404.894 3.119 50 0 HGAAMO O=C(Nc1ccccc1)C1CC[NH+]([C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)CC1 ZINC000101490888 560795896 /nfs/dbraw/zinc/79/58/96/560795896.db2.gz FXEWUPVNCIMYDZ-LJQANCHMSA-N 1 1 411.889 3.323 50 0 HGAAMO Cc1ccc(N2C(=O)C[C@H]([NH+]3CCC(C(=O)Nc4ccccc4)CC3)C2=O)c(C)c1 ZINC000101490899 560795976 /nfs/dbraw/zinc/79/59/76/560795976.db2.gz FNWISYOESJHHKU-NRFANRHFSA-N 1 1 405.498 3.286 50 0 HGAAMO COc1ccc(C[N@H+](C)[C@@H]2CC(=O)N(c3cc(C)c(Cl)cc3OC)C2=O)cc1 ZINC000102819592 560829472 /nfs/dbraw/zinc/82/94/72/560829472.db2.gz PCCZTWUIVLOLDD-GOSISDBHSA-N 1 1 402.878 3.430 50 0 HGAAMO COc1ccc(C[N@@H+](C)[C@@H]2CC(=O)N(c3cc(C)c(Cl)cc3OC)C2=O)cc1 ZINC000102819592 560829474 /nfs/dbraw/zinc/82/94/74/560829474.db2.gz PCCZTWUIVLOLDD-GOSISDBHSA-N 1 1 402.878 3.430 50 0 HGAAMO CSc1nccn1-c1ccc(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000046917595 560879388 /nfs/dbraw/zinc/87/93/88/560879388.db2.gz GKUBAYWOUIKUPI-UHFFFAOYSA-N 1 1 422.554 3.356 50 0 HGAAMO COc1cccc([C@H](CNS(=O)(=O)c2ccccc2Br)[NH+](C)C)c1 ZINC000047032899 560879910 /nfs/dbraw/zinc/87/99/10/560879910.db2.gz XITQXXCGGRYNHV-INIZCTEOSA-N 1 1 413.337 3.039 50 0 HGAAMO C[N@H+]1CCN(CCNC(=O)c2cc(C3CC3)nn2C(C)(C)C)[C@H](c2ccccc2)C1 ZINC000106086666 560884631 /nfs/dbraw/zinc/88/46/31/560884631.db2.gz TWMKFUHKFHXIIA-QFIPXVFZSA-N 1 1 409.578 3.234 50 0 HGAAMO CCOc1ccc(C(F)(F)F)cc1NC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](CC)C1 ZINC000107514324 560896451 /nfs/dbraw/zinc/89/64/51/560896451.db2.gz KXPVXTLLUPVLAV-ZFWWWQNUSA-N 1 1 403.445 3.413 50 0 HGAAMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)COc1ccc(N2CCCC2=O)cc1 ZINC000107510143 560896461 /nfs/dbraw/zinc/89/64/61/560896461.db2.gz XBHQIULKOZHLCJ-WMZHIEFXSA-N 1 1 421.541 3.219 50 0 HGAAMO CC(C)c1c(C(=O)NC[C@H]2C[N@@H+]3CCCC[C@H]3CO2)cnn1-c1ccc(F)cc1 ZINC000107542463 560896610 /nfs/dbraw/zinc/89/66/10/560896610.db2.gz YBQCSPGFAGDIBC-OALUTQOASA-N 1 1 400.498 3.118 50 0 HGAAMO CC(C)c1c(C(=O)NC[C@H]2C[N@H+]3CCCC[C@H]3CO2)cnn1-c1ccc(F)cc1 ZINC000107542463 560896611 /nfs/dbraw/zinc/89/66/11/560896611.db2.gz YBQCSPGFAGDIBC-OALUTQOASA-N 1 1 400.498 3.118 50 0 HGAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)Nc2cccc(OCCn3cccn3)c2)ccn1 ZINC000048311342 568436979 /nfs/dbraw/zinc/43/69/79/568436979.db2.gz NAIXYUQNZUIXCL-UHFFFAOYSA-N 1 1 417.473 3.173 50 0 HGAAMO Cc1ccc(F)cc1NC(=O)Cn1c(C)nc2c(c1=O)C[N@@H+](Cc1ccccc1)CC2 ZINC000049400858 568447606 /nfs/dbraw/zinc/44/76/06/568447606.db2.gz GGYWFZRRZSGGTO-UHFFFAOYSA-N 1 1 420.488 3.196 50 0 HGAAMO COc1c2c(cc3c1[C@@H](CC(=O)CCc1ccc4c(c1)OCO4)[N@H+](C)CC3)OCO2 ZINC000020113174 568589168 /nfs/dbraw/zinc/58/91/68/568589168.db2.gz NFMATBVNUCRACD-QGZVFWFLSA-N 1 1 411.454 3.274 50 0 biogenic HGAAMO COc1c2c(cc3c1[C@@H](CC(=O)CCc1ccc4c(c1)OCO4)[N@@H+](C)CC3)OCO2 ZINC000020113174 568589170 /nfs/dbraw/zinc/58/91/70/568589170.db2.gz NFMATBVNUCRACD-QGZVFWFLSA-N 1 1 411.454 3.274 50 0 biogenic HGAAMO CC[NH+]1CCN([C@@H](c2cccs2)[C@H](C)NC(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000020288084 568597617 /nfs/dbraw/zinc/59/76/17/568597617.db2.gz JLMDVKXRPNVNLO-HRAATJIYSA-N 1 1 417.575 3.262 50 0 HGAAMO C[C@H](NC(=O)C[N@H+]1CCC[C@H]1CN1C[C@@H](C)O[C@@H](C)C1)c1ccc2c(c1)CCCC2 ZINC000095373517 568602982 /nfs/dbraw/zinc/60/29/82/568602982.db2.gz HKPHTTBPOFZVSX-VKDGWMQASA-N 1 1 413.606 3.316 50 0 HGAAMO C[C@H](NC(=O)CN1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc2c(c1)CCCC2 ZINC000095373517 568602988 /nfs/dbraw/zinc/60/29/88/568602988.db2.gz HKPHTTBPOFZVSX-VKDGWMQASA-N 1 1 413.606 3.316 50 0 HGAAMO C[C@H](NC(=O)CN1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc2c(c1)CCCC2 ZINC000095373517 568602990 /nfs/dbraw/zinc/60/29/90/568602990.db2.gz HKPHTTBPOFZVSX-VKDGWMQASA-N 1 1 413.606 3.316 50 0 HGAAMO CCOC(=O)C(C)(C)n1cc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)cn1 ZINC000095423094 568607506 /nfs/dbraw/zinc/60/75/06/568607506.db2.gz FPNLXRHTAMVMIL-QGZVFWFLSA-N 1 1 416.497 3.171 50 0 HGAAMO CC(C)c1ccc(-c2noc(CCC(=O)NCCCC[N@H+]3CCC[C@@H]3CO)n2)cc1 ZINC000095447915 568612521 /nfs/dbraw/zinc/61/25/21/568612521.db2.gz IQUFVPOPSDAEKJ-HXUWFJFHSA-N 1 1 414.550 3.146 50 0 HGAAMO Cc1nc2cc(C)ccn2c1CN1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000095457014 568618113 /nfs/dbraw/zinc/61/81/13/568618113.db2.gz RLBCKEDDZGXSGE-QHCPKHFHSA-N 1 1 403.574 3.343 50 0 HGAAMO CCOC(=O)c1cccc(NC(=O)[C@H]2C[C@H]3CCC[N@H+]3[C@]23c2ccccc2NC3=O)c1 ZINC000020513037 568622189 /nfs/dbraw/zinc/62/21/89/568622189.db2.gz JMHIBMZZRYCVFC-ROMRWMGNSA-N 1 1 419.481 3.134 50 0 biogenic HGAAMO COc1cc2c(cc1OC)C(=O)[C@H]([C@H]1c3c(cc4c(c3OC)OCO4)CC[N@H+]1C)C2 ZINC000020759376 568641996 /nfs/dbraw/zinc/64/19/96/568641996.db2.gz RJQXXRSHMDJYGT-YWZLYKJASA-N 1 1 411.454 3.025 50 0 biogenic HGAAMO COc1cc2c(cc1OC)C(=O)[C@H]([C@H]1c3c(cc4c(c3OC)OCO4)CC[N@@H+]1C)C2 ZINC000020759376 568641997 /nfs/dbraw/zinc/64/19/97/568641997.db2.gz RJQXXRSHMDJYGT-YWZLYKJASA-N 1 1 411.454 3.025 50 0 biogenic HGAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)[C@@H]2Cc3ccccc3N2C(=O)c2ccccc2)C1 ZINC000021148196 568671995 /nfs/dbraw/zinc/67/19/95/568671995.db2.gz TUQGSJCJHVPFTB-CVDCTZTESA-N 1 1 405.542 3.496 50 0 HGAAMO Cn1cccc1[C@@H](CNC(=O)COc1ccccc1F)[N@@H+]1CCc2ccccc2C1 ZINC000021151920 568672557 /nfs/dbraw/zinc/67/25/57/568672557.db2.gz JCNBEBCBIDWHLM-JOCHJYFZSA-N 1 1 407.489 3.459 50 0 HGAAMO Cn1cccc1[C@@H](CNC(=O)COc1ccccc1F)[N@H+]1CCc2ccccc2C1 ZINC000021151920 568672560 /nfs/dbraw/zinc/67/25/60/568672560.db2.gz JCNBEBCBIDWHLM-JOCHJYFZSA-N 1 1 407.489 3.459 50 0 HGAAMO CCc1ccccc1N1C[C@@H](c2nc3ccccc3n2CC[NH+]2CCOCC2)CC1=O ZINC000021171706 568676496 /nfs/dbraw/zinc/67/64/96/568676496.db2.gz CSWPOZVWBHDAKV-FQEVSTJZSA-N 1 1 418.541 3.451 50 0 HGAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)CN2c3ccccc3Sc3ncccc3C2=O)C1 ZINC000021540215 568713483 /nfs/dbraw/zinc/71/34/83/568713483.db2.gz DPFBTXPPSRNGEC-KRWDZBQOSA-N 1 1 424.570 3.431 50 0 HGAAMO O=C(C[N@H+]1CCC[C@H]2CCCC[C@H]21)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000229990642 568716693 /nfs/dbraw/zinc/71/66/93/568716693.db2.gz ZQZFAMGYCSJFQO-YLJYHZDGSA-N 1 1 405.564 3.064 50 0 HGAAMO COc1ccc(C(=O)Nc2ccc(N3CCC[N@@H+](Cc4ccncc4)CC3)nc2)cc1 ZINC000096281048 568718410 /nfs/dbraw/zinc/71/84/10/568718410.db2.gz BHFIBEIMVHABSH-UHFFFAOYSA-N 1 1 417.513 3.450 50 0 HGAAMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1nc2ccc(Br)cn2n1 ZINC000241897200 568732084 /nfs/dbraw/zinc/73/20/84/568732084.db2.gz TWMBTLSHCFKSGI-CQSZACIVSA-N 1 1 418.295 3.042 50 0 HGAAMO C[NH+]1CCN(CCc2ccc(NC(=O)c3cccnc3N3CCCCC3)cc2)CC1 ZINC000056041569 568785155 /nfs/dbraw/zinc/78/51/55/568785155.db2.gz NYWRNEINSVKNON-UHFFFAOYSA-N 1 1 407.562 3.114 50 0 HGAAMO C[NH+]1CCN(c2ccc(C(=O)N[C@H]3CCOc4c(Cl)cccc43)cc2F)CC1 ZINC000057265203 568825149 /nfs/dbraw/zinc/82/51/49/568825149.db2.gz ARHKKWAGNSYJII-SFHVURJKSA-N 1 1 403.885 3.485 50 0 HGAAMO NC(=O)[C@H]1CN(c2nc(-c3cccs3)nc3scc(-c4ccccc4)c32)CC[NH2+]1 ZINC000057290287 568825871 /nfs/dbraw/zinc/82/58/71/568825871.db2.gz AOOAJLXZDQFSOI-OAHLLOKOSA-N 1 1 421.551 3.350 50 0 HGAAMO C[C@H](NCc1ccccc1C[NH+]1CCCC1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000057293315 568826081 /nfs/dbraw/zinc/82/60/81/568826081.db2.gz SICGCOWSGAAYFV-FQEVSTJZSA-N 1 1 422.573 3.236 50 0 HGAAMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)NCc1ccccc1OC(F)(F)F ZINC000029634941 568828182 /nfs/dbraw/zinc/82/81/82/568828182.db2.gz QCHSZLOYNQLQJN-UHFFFAOYSA-N 1 1 407.436 3.019 50 0 HGAAMO CCOC(=O)C1=C(C[N@H+](C)Cc2ccccc2)NC(=O)N[C@H]1c1ccccc1OCC ZINC000057415804 568834130 /nfs/dbraw/zinc/83/41/30/568834130.db2.gz JGENPMUCKBFAIP-QFIPXVFZSA-N 1 1 423.513 3.388 50 0 HGAAMO CCOC(=O)C1=C(C[N@@H+](C)Cc2ccccc2)NC(=O)N[C@H]1c1ccccc1OCC ZINC000057415804 568834133 /nfs/dbraw/zinc/83/41/33/568834133.db2.gz JGENPMUCKBFAIP-QFIPXVFZSA-N 1 1 423.513 3.388 50 0 HGAAMO [NH2+]=C1Nc2nc3cc4c(cc3n2[C@H](c2ccc(Br)cc2)N1)OCCCO4 ZINC000012507747 568839893 /nfs/dbraw/zinc/83/98/93/568839893.db2.gz QGTSUKXQWBJNMY-MRXNPFEDSA-N 1 1 414.263 3.056 50 0 HGAAMO C[C@@H](CNC(=O)COc1ccc(Br)cc1)[N@H+]1CCc2ccccc2C1 ZINC000025633977 568869364 /nfs/dbraw/zinc/86/93/64/568869364.db2.gz IKVVALSSGXZNDX-HNNXBMFYSA-N 1 1 403.320 3.391 50 0 HGAAMO O=C(C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1ccc2c(c1)OCO2)NCc1ccccc1 ZINC000004061508 568881431 /nfs/dbraw/zinc/88/14/31/568881431.db2.gz OAPSQBRBZODEOZ-OPXMRZJTSA-N 1 1 422.525 3.400 50 0 biogenic HGAAMO O=C(C[N@H+]1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1ccc2c(c1)OCO2)NCc1ccccc1 ZINC000004061508 568881432 /nfs/dbraw/zinc/88/14/32/568881432.db2.gz OAPSQBRBZODEOZ-OPXMRZJTSA-N 1 1 422.525 3.400 50 0 biogenic HGAAMO CCn1cnnc1C1CC[NH+](CC(=O)N[C@H](C)c2ccc(Br)cc2)CC1 ZINC000083843652 568918241 /nfs/dbraw/zinc/91/82/41/568918241.db2.gz VTALGHHRBMRFAH-CQSZACIVSA-N 1 1 420.355 3.117 50 0 HGAAMO C[C@@H]([C@@H](O)c1ccccc1)[N@@H+](C)C[C@H]1C(=O)O[C@@H]2CC3=CCC[C@@H](C)[C@@]3(C)[C@@H](O)[C@@H]21 ZINC000004028674 568934166 /nfs/dbraw/zinc/93/41/66/568934166.db2.gz SYTZVGPWDLPTPO-WMINDAEQSA-N 1 1 413.558 3.325 50 0 biogenic HGAAMO Cc1ccc(CCN2C[C@@H](C(=O)NCCC[N@H+](C)Cc3ccccc3)CC2=O)cc1 ZINC000004101924 568942956 /nfs/dbraw/zinc/94/29/56/568942956.db2.gz OWTGVWTZHGSJEY-QHCPKHFHSA-N 1 1 407.558 3.024 50 0 HGAAMO CC[C@H](NC(=O)c1ccc2c(c1)nc(C)n2C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000084727092 568957268 /nfs/dbraw/zinc/95/72/68/568957268.db2.gz KVDNYOUQVVIMOU-NZQKXSOJSA-N 1 1 406.530 3.291 50 0 HGAAMO CC[C@H](NC(=O)c1ccc2c(c1)nc(C)n2C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000084727092 568957269 /nfs/dbraw/zinc/95/72/69/568957269.db2.gz KVDNYOUQVVIMOU-NZQKXSOJSA-N 1 1 406.530 3.291 50 0 HGAAMO O=C(C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)NC(=O)Nc1ccccc1F ZINC000008275243 568986707 /nfs/dbraw/zinc/98/67/07/568986707.db2.gz QOHWBLXQWGLLFX-SFHVURJKSA-N 1 1 413.449 3.472 50 0 HGAAMO O=C(C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)NC(=O)Nc1ccccc1F ZINC000008275243 568986709 /nfs/dbraw/zinc/98/67/09/568986709.db2.gz QOHWBLXQWGLLFX-SFHVURJKSA-N 1 1 413.449 3.472 50 0 HGAAMO C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000008310497 568988754 /nfs/dbraw/zinc/98/87/54/568988754.db2.gz TWPBGMPCHBCGCB-DNVCBOLYSA-N 1 1 409.486 3.111 50 0 HGAAMO C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000008310497 568988755 /nfs/dbraw/zinc/98/87/55/568988755.db2.gz TWPBGMPCHBCGCB-DNVCBOLYSA-N 1 1 409.486 3.111 50 0 HGAAMO CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1C[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000008424951 569002033 /nfs/dbraw/zinc/00/20/33/569002033.db2.gz VJUALCDTAIBMKL-IAGOWNOFSA-N 1 1 404.580 3.319 50 0 HGAAMO COc1ccc2c(c1)O[C@@H](C)C[N@H+](CCC(=O)N[C@H](c1cccnc1)C(F)(F)F)C2 ZINC000104325271 569008325 /nfs/dbraw/zinc/00/83/25/569008325.db2.gz SWSFBZLAUUIQPF-VBKZILBWSA-N 1 1 423.435 3.483 50 0 HGAAMO COc1ccc(C[N@@H+]2CCN(Cc3ccc(O)c(OC)c3)C[C@H]2CCO)c(C)c1C ZINC000104459216 569008601 /nfs/dbraw/zinc/00/86/01/569008601.db2.gz WFUMOZODOKFXSB-OAQYLSRUSA-N 1 1 414.546 3.095 50 0 HGAAMO CC(C)[C@H](CNC(=O)c1cccc(NC(=O)c2cccs2)c1)[NH+]1CCOCC1 ZINC000012936001 569026825 /nfs/dbraw/zinc/02/68/25/569026825.db2.gz IJWYTXKCCKHQIB-SFHVURJKSA-N 1 1 401.532 3.087 50 0 HGAAMO C[C@@H]1CCC[C@]2(C)C[C@@H]3OC(=O)[C@@H](C[NH+]4CCN(C(=O)c5ccco5)CC4)[C@@H]3C=C12 ZINC000016040562 569028141 /nfs/dbraw/zinc/02/81/41/569028141.db2.gz MQSZZIBOTGMDJA-LGWQMSFJSA-N 1 1 412.530 3.352 50 0 HGAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1 ZINC000035397962 569034953 /nfs/dbraw/zinc/03/49/53/569034953.db2.gz RVSLLEQIYSTXSK-TZIWHRDSSA-N 1 1 407.562 3.351 50 0 HGAAMO C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)NCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC000040119358 569048115 /nfs/dbraw/zinc/04/81/15/569048115.db2.gz BRNMUYUTPMOACZ-ZNQKSWCZSA-N 1 1 417.550 3.475 50 0 HGAAMO O=C(CN1CC[N@H+]2CCC[C@H]2C1)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000239274617 569054077 /nfs/dbraw/zinc/05/40/77/569054077.db2.gz ALOYOTUGGBJXNF-HNNXBMFYSA-N 1 1 421.364 3.291 50 0 HGAAMO CCc1ccc(CN2CCc3c(C(=O)NCCn4cc[nH+]c4C)csc3C2)nc1 ZINC000426497141 569073129 /nfs/dbraw/zinc/07/31/29/569073129.db2.gz ZUMQVLNAVLUZKW-UHFFFAOYSA-N 1 1 409.559 3.199 50 0 HGAAMO COCCC[N@H+](Cc1cccc(OC)c1OC)C[C@H](O)COc1ccccc1C ZINC000036097188 569090285 /nfs/dbraw/zinc/09/02/85/569090285.db2.gz CYWOPNCPYMMIBG-FQEVSTJZSA-N 1 1 403.519 3.291 50 0 HGAAMO Cc1cccc(C[N@@H+](CCN2CCOCC2)C[C@H](O)COc2ccc(Cl)cc2)c1 ZINC000036098622 569090873 /nfs/dbraw/zinc/09/08/73/569090873.db2.gz KIUGAXJROOUJAP-QFIPXVFZSA-N 1 1 418.965 3.223 50 0 HGAAMO CC(C)CC[N@@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)C[C@@H](O)COC(C)(C)C ZINC000036159189 569102579 /nfs/dbraw/zinc/10/25/79/569102579.db2.gz VOLGSEDHOXYLLS-OAHLLOKOSA-N 1 1 421.607 3.497 50 0 HGAAMO CC(C)CC[N@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)C[C@@H](O)COC(C)(C)C ZINC000036159189 569102580 /nfs/dbraw/zinc/10/25/80/569102580.db2.gz VOLGSEDHOXYLLS-OAHLLOKOSA-N 1 1 421.607 3.497 50 0 HGAAMO CCCCc1cc(=O)oc2c(C)c3c(cc12)CN(CCC[NH+]1CCOCC1)CO3 ZINC000006756298 569111896 /nfs/dbraw/zinc/11/18/96/569111896.db2.gz IOHPADALJNLUKY-UHFFFAOYSA-N 1 1 400.519 3.318 50 0 HGAAMO O=C(NCCC[NH+]1CCOCC1)c1cc2occc2n1Cc1ccc(Cl)cc1 ZINC000036357327 569148817 /nfs/dbraw/zinc/14/88/17/569148817.db2.gz HDSMYMRAPZZXIA-UHFFFAOYSA-N 1 1 401.894 3.388 50 0 HGAAMO COc1ccc(CN2CC[NH+](CCOc3cccc(F)c3)CC2)c(OC)c1OC ZINC000036396715 569169128 /nfs/dbraw/zinc/16/91/28/569169128.db2.gz FGBRCHUVGVJZPY-UHFFFAOYSA-N 1 1 404.482 3.048 50 0 HGAAMO CCc1nc2c(c(=O)n1CC(=O)Nc1ccc(F)cc1)C[N@@H+](Cc1ccccc1)CC2 ZINC000065153532 569187516 /nfs/dbraw/zinc/18/75/16/569187516.db2.gz UVIJUDAHVQFGJI-UHFFFAOYSA-N 1 1 420.488 3.142 50 0 HGAAMO CCc1ccc(NC(=O)[C@@H](CCSC)NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000036550278 569199129 /nfs/dbraw/zinc/19/91/29/569199129.db2.gz SFAJBHFFAZTTBJ-RTWAWAEBSA-N 1 1 411.571 3.140 50 0 HGAAMO CC(C)c1nnc(-c2ccc(S(=O)(=O)N3CC[NH+](C4CCCCC4)CC3)o2)o1 ZINC000065246293 569205564 /nfs/dbraw/zinc/20/55/64/569205564.db2.gz BFHQKOSUMNITQF-UHFFFAOYSA-N 1 1 408.524 3.092 50 0 HGAAMO COc1cccc(C2=CC[N@H+](CC(=O)NC[C@@H]3CCN(c4ccccc4)C3)CC2)c1 ZINC000065613524 569238584 /nfs/dbraw/zinc/23/85/84/569238584.db2.gz HNSKJICQOMCNDJ-FQEVSTJZSA-N 1 1 405.542 3.427 50 0 HGAAMO COc1cccc(C2=CC[N@@H+](CC(=O)NC[C@@H]3CCN(c4ccccc4)C3)CC2)c1 ZINC000065613524 569238585 /nfs/dbraw/zinc/23/85/85/569238585.db2.gz HNSKJICQOMCNDJ-FQEVSTJZSA-N 1 1 405.542 3.427 50 0 HGAAMO C[NH+](C)Cc1ccc(NC(=O)c2ccc(-n3cncn3)cc2)cc1Br ZINC000170604613 569243938 /nfs/dbraw/zinc/24/39/38/569243938.db2.gz VIGOTYNTNSQENQ-UHFFFAOYSA-N 1 1 400.280 3.344 50 0 HGAAMO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000007525200 569245836 /nfs/dbraw/zinc/24/58/36/569245836.db2.gz JPPLKXBRABSHNU-HNNXBMFYSA-N 1 1 413.971 3.328 50 0 HGAAMO C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000007525200 569245838 /nfs/dbraw/zinc/24/58/38/569245838.db2.gz JPPLKXBRABSHNU-HNNXBMFYSA-N 1 1 413.971 3.328 50 0 HGAAMO O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)NC[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000170613425 569246929 /nfs/dbraw/zinc/24/69/29/569246929.db2.gz FSFQLCYXLPWMPS-IERDGZPVSA-N 1 1 410.514 3.041 50 0 HGAAMO COc1cc(C(C)=O)ccc1OCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000170653305 569295397 /nfs/dbraw/zinc/29/53/97/569295397.db2.gz WJPHAQKMPWMYMB-UTKZUKDTSA-N 1 1 410.514 3.303 50 0 HGAAMO COc1cccc([C@@H](NC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)c2nccn2C)c1 ZINC000195529346 569311982 /nfs/dbraw/zinc/31/19/82/569311982.db2.gz KUVNYZCDZPGCQN-WIYYLYMNSA-N 1 1 413.566 3.329 50 0 HGAAMO Cc1c2ccc(O)cc2oc(=O)c1CCC(=O)N(C)C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000253400104 569365533 /nfs/dbraw/zinc/36/55/33/569365533.db2.gz DPYOLBLOOPDDOS-LAUBAEHRSA-N 1 1 412.530 3.463 50 0 biogenic HGAAMO CC[N@@H+]1CCc2c(sc(NC(=S)NC(=O)c3ccc(Cl)cc3)c2C(N)=O)C1 ZINC000002316611 569373227 /nfs/dbraw/zinc/37/32/27/569373227.db2.gz RZTQJFLEXSFDAV-UHFFFAOYSA-N 1 1 422.963 3.005 50 0 HGAAMO CC[N@H+]1CCc2c(sc(NC(=S)NC(=O)c3ccc(Cl)cc3)c2C(N)=O)C1 ZINC000002316611 569373228 /nfs/dbraw/zinc/37/32/28/569373228.db2.gz RZTQJFLEXSFDAV-UHFFFAOYSA-N 1 1 422.963 3.005 50 0 HGAAMO O=C(c1ccco1)N1CC[NH+](C[C@@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000019287615 569414681 /nfs/dbraw/zinc/41/46/81/569414681.db2.gz QZNOGWXLGHKSCQ-GOSISDBHSA-N 1 1 403.482 3.206 50 0 HGAAMO Cc1cc(=O)c(O)c(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1C ZINC000079487219 569432192 /nfs/dbraw/zinc/43/21/92/569432192.db2.gz ZEFZXCIKKWIISP-UHFFFAOYSA-N 1 1 403.526 3.307 50 0 HGAAMO CCC[N@@H+]1CCc2nc(SCC(=O)Nc3ccccc3OCC)[nH]c(=O)c2C1 ZINC000067291760 571068434 /nfs/dbraw/zinc/06/84/34/571068434.db2.gz LVOMXTCDRVLVNO-UHFFFAOYSA-N 1 1 402.520 3.080 50 0 HGAAMO CCC[N@H+]1CCc2nc(SCC(=O)Nc3ccccc3OCC)[nH]c(=O)c2C1 ZINC000067291760 571068437 /nfs/dbraw/zinc/06/84/37/571068437.db2.gz LVOMXTCDRVLVNO-UHFFFAOYSA-N 1 1 402.520 3.080 50 0 HGAAMO Cc1ccc(S(=O)(=O)N2CCC[N@H+](Cc3ccc(-n4cccn4)cc3)CC2)cc1 ZINC000008754154 571113054 /nfs/dbraw/zinc/11/30/54/571113054.db2.gz DBONPLBEWYLNOA-UHFFFAOYSA-N 1 1 410.543 3.077 50 0 HGAAMO Cc1ccc(S(=O)(=O)N2CCC[N@@H+](Cc3ccc(-n4cccn4)cc3)CC2)cc1 ZINC000008754154 571113057 /nfs/dbraw/zinc/11/30/57/571113057.db2.gz DBONPLBEWYLNOA-UHFFFAOYSA-N 1 1 410.543 3.077 50 0 HGAAMO CCOC(=O)c1c(NC(=O)CN2CCC[N@@H+](C)CC2)sc(C)c1-c1ccccc1 ZINC000039944607 571135136 /nfs/dbraw/zinc/13/51/36/571135136.db2.gz ROPSPHLSJTWPEA-UHFFFAOYSA-N 1 1 415.559 3.476 50 0 HGAAMO CCC(CC)[C@@H](CNC(=O)Cc1c(F)c(F)c(F)c(F)c1F)[NH+]1CCOCC1 ZINC000040087041 571157672 /nfs/dbraw/zinc/15/76/72/571157672.db2.gz VSRCOOVRSWKURU-CYBMUJFWSA-N 1 1 408.411 3.178 50 0 HGAAMO CC(C)[C@@H](CNC(=O)c1cc(Br)ccc1Cl)N1CC[NH+](C)CC1 ZINC000040092500 571161575 /nfs/dbraw/zinc/16/15/75/571161575.db2.gz ZOYHVESNGDHZNA-MRXNPFEDSA-N 1 1 402.764 3.104 50 0 HGAAMO C[N@@H+]1CCN(C(=O)Nc2ccc(C(=O)NCC(F)(F)F)cc2)[C@@H](c2ccccc2)C1 ZINC000040104966 571165722 /nfs/dbraw/zinc/16/57/22/571165722.db2.gz PZVUDGXJTOANRM-GOSISDBHSA-N 1 1 420.435 3.499 50 0 HGAAMO C[N@H+]1CCN(C(=O)Nc2ccc(C(=O)NCC(F)(F)F)cc2)[C@@H](c2ccccc2)C1 ZINC000040104966 571165724 /nfs/dbraw/zinc/16/57/24/571165724.db2.gz PZVUDGXJTOANRM-GOSISDBHSA-N 1 1 420.435 3.499 50 0 HGAAMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)C1 ZINC000040112681 571170714 /nfs/dbraw/zinc/17/07/14/571170714.db2.gz DPVQUCIAAAIFJO-GOSISDBHSA-N 1 1 421.607 3.149 50 0 HGAAMO COc1ccc(CCNC(=O)C2CC[NH+](CC(=O)Nc3ccc(C)cc3)CC2)cc1 ZINC000009069095 571218328 /nfs/dbraw/zinc/21/83/28/571218328.db2.gz WFBWEFDGYUYKAL-UHFFFAOYSA-N 1 1 409.530 3.013 50 0 HGAAMO CCOC(=O)C1=C(C[N@@H+]2CC[C@@H](c3ccccc3)C2)NC(=O)N[C@H]1c1cccs1 ZINC000245245408 571220587 /nfs/dbraw/zinc/22/05/87/571220587.db2.gz JCTRTFKUPYSGHS-UZLBHIALSA-N 1 1 411.527 3.409 50 0 HGAAMO CCOC(=O)C1=C(C[N@H+]2CC[C@@H](c3ccccc3)C2)NC(=O)N[C@H]1c1cccs1 ZINC000245245408 571220590 /nfs/dbraw/zinc/22/05/90/571220590.db2.gz JCTRTFKUPYSGHS-UZLBHIALSA-N 1 1 411.527 3.409 50 0 HGAAMO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)s1 ZINC000009268788 571244178 /nfs/dbraw/zinc/24/41/78/571244178.db2.gz STNUIDAWIKCNLA-JTQLQIEISA-N 1 1 409.455 3.185 50 0 HGAAMO CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)s1 ZINC000009268788 571244180 /nfs/dbraw/zinc/24/41/80/571244180.db2.gz STNUIDAWIKCNLA-JTQLQIEISA-N 1 1 409.455 3.185 50 0 HGAAMO O=C(NCC1(c2ccc3c(c2)OCO3)CCOCC1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000070038156 571254739 /nfs/dbraw/zinc/25/47/39/571254739.db2.gz ZSJLHQBCNZFGAY-OAQYLSRUSA-N 1 1 422.525 3.244 50 0 HGAAMO COc1ccc(OC)c(NC(=O)C[N@H+](C)CCOc2ccc(Br)cc2)c1 ZINC000009640974 571275731 /nfs/dbraw/zinc/27/57/31/571275731.db2.gz KAOGLLIBDABGQM-UHFFFAOYSA-N 1 1 423.307 3.416 50 0 HGAAMO COc1ccc(OC)c(NC(=O)C[N@@H+](C)CCOc2ccc(Br)cc2)c1 ZINC000009640974 571275732 /nfs/dbraw/zinc/27/57/32/571275732.db2.gz KAOGLLIBDABGQM-UHFFFAOYSA-N 1 1 423.307 3.416 50 0 HGAAMO CCOc1ccc(S(=O)(=O)NCC[NH+]2CCC(c3cccs3)CC2)cc1F ZINC000077104201 571311692 /nfs/dbraw/zinc/31/16/92/571311692.db2.gz OYOXXQIBXCQNSB-UHFFFAOYSA-N 1 1 412.552 3.444 50 0 HGAAMO CN1c2ccccc2[C@]2(C1=O)[C@@H](C(=O)NCCc1ccc(Cl)cc1)C[C@H]1CCC[N@H+]12 ZINC000057992439 571315406 /nfs/dbraw/zinc/31/54/06/571315406.db2.gz RKTXFVOUVYSRLL-DRMXPCRNSA-N 1 1 423.944 3.355 50 0 HGAAMO CCCC[N@@H+](CCCNC(=O)CN1C(=O)COc2ccccc21)Cc1ccccc1 ZINC000002953727 132260364 /nfs/dbraw/zinc/26/03/64/132260364.db2.gz KIMHQMAUFPDLKS-UHFFFAOYSA-N 1 1 409.530 3.221 50 0 HGAAMO Cc1ccc2c(c1)N(CCCC(=O)NCCC[N@H+](C)C1CCCCC1)C(=O)CO2 ZINC000006751239 132314891 /nfs/dbraw/zinc/31/48/91/132314891.db2.gz QAEDLLOCNKOZMH-UHFFFAOYSA-N 1 1 401.551 3.271 50 0 HGAAMO COC(=O)[C@H]1CN(C(=O)C[N@H+](C)Cc2ccc(C(C)(C)C)cc2)c2ccccc2O1 ZINC000011201905 132347797 /nfs/dbraw/zinc/34/77/97/132347797.db2.gz JGGCSOXETFTJLT-OAQYLSRUSA-N 1 1 410.514 3.383 50 0 HGAAMO COC(=O)[C@H]1CN(C(=O)C[N@@H+](C)Cc2ccc(C(C)(C)C)cc2)c2ccccc2O1 ZINC000011201905 132347798 /nfs/dbraw/zinc/34/77/98/132347798.db2.gz JGGCSOXETFTJLT-OAQYLSRUSA-N 1 1 410.514 3.383 50 0 HGAAMO CC[N@@H+](CCC(=O)Nc1ccnn1C1CCCC1)CC(=O)Nc1ccc(OC)cc1 ZINC000030221349 520984714 /nfs/dbraw/zinc/98/47/14/520984714.db2.gz OVMGXIUOXUPXTH-UHFFFAOYSA-N 1 1 413.522 3.296 50 0 HGAAMO CCN1CCN(C[C@H](O)COc2cccc(C[NH2+]CCC3=CCCCC3)c2)CC1 ZINC000020601514 521686531 /nfs/dbraw/zinc/68/65/31/521686531.db2.gz QTEMVENENYINBO-QHCPKHFHSA-N 1 1 401.595 3.044 50 0 HGAAMO CCN1CC[NH+](Cc2ccc(NC(=O)c3ccc(NC(=O)C4CC4)cc3)cc2)CC1 ZINC000032916035 521688845 /nfs/dbraw/zinc/68/88/45/521688845.db2.gz ZNIRTTCIYSOZIF-UHFFFAOYSA-N 1 1 406.530 3.425 50 0 HGAAMO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCCN(C(=O)c2ccoc2)C1)c1ccccc1Cl ZINC000043728861 522018294 /nfs/dbraw/zinc/01/82/94/522018294.db2.gz NQXFGMRKTUGEPS-BEFAXECRSA-N 1 1 403.910 3.204 50 0 HGAAMO C[C@@H]1C[N@H+](CCCNC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cc2)C[C@H](C)O1 ZINC000032755416 524945934 /nfs/dbraw/zinc/94/59/34/524945934.db2.gz FOZSRWAARUVPNY-CALCHBBNSA-N 1 1 405.539 3.192 50 0 HGAAMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc2)C[C@H](C)O1 ZINC000032824518 524990680 /nfs/dbraw/zinc/99/06/80/524990680.db2.gz PAZYSRJQVVYRPR-KDURUIRLSA-N 1 1 411.521 3.397 50 0 HGAAMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc2)C[C@H](C)O1 ZINC000032824518 524990688 /nfs/dbraw/zinc/99/06/88/524990688.db2.gz PAZYSRJQVVYRPR-KDURUIRLSA-N 1 1 411.521 3.397 50 0 HGAAMO Cc1c2cc3c(cc2oc(=O)c1CCC(=O)N1CC[NH+](C)CC1)oc1c3CCCC1 ZINC000020592254 525963463 /nfs/dbraw/zinc/96/34/63/525963463.db2.gz CIOZLVBGJSINPP-UHFFFAOYSA-N 1 1 408.498 3.433 50 0 HGAAMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000032873757 526922273 /nfs/dbraw/zinc/92/22/73/526922273.db2.gz SQLQDFGOPBPPBE-IFMALSPDSA-N 1 1 409.505 3.069 50 0 HGAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1c[nH]c(=S)n1-c1ccc(F)cc1 ZINC000032895570 527572111 /nfs/dbraw/zinc/57/21/11/527572111.db2.gz IOYYMMMDKQIBHQ-UHFFFAOYSA-N 1 1 418.538 3.439 50 0 HGAAMO CN(C(=O)c1ccccc1N1CCOCC1)[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000011662684 536068870 /nfs/dbraw/zinc/06/88/70/536068870.db2.gz RGQMZRQRHIOMRL-HXUWFJFHSA-N 1 1 411.521 3.399 50 0 HGAAMO CN(C(=O)c1ccccc1N1CCOCC1)[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000011662684 536068873 /nfs/dbraw/zinc/06/88/73/536068873.db2.gz RGQMZRQRHIOMRL-HXUWFJFHSA-N 1 1 411.521 3.399 50 0 HGAAMO O=C(NCCc1ccccn1)[C@H]1CCC[N@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000011665121 558268435 /nfs/dbraw/zinc/26/84/35/558268435.db2.gz MRHQHJGKJVNGSQ-QFIPXVFZSA-N 1 1 406.574 3.117 50 0 HGAAMO COc1ccc(F)cc1C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(N3CCNC3=O)cc2)C1 ZINC000011760430 558273235 /nfs/dbraw/zinc/27/32/35/558273235.db2.gz ZMDJZGYDDBOHAQ-QGZVFWFLSA-N 1 1 411.477 3.459 50 0 HGAAMO COc1cc(CN(C)Cc2ccon2)ccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000011816277 558279533 /nfs/dbraw/zinc/27/95/33/558279533.db2.gz CGLGUIOPILZKOA-NRFANRHFSA-N 1 1 417.550 3.319 50 0 HGAAMO CCn1ccnc1CN1CCC(CCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000011819841 558282927 /nfs/dbraw/zinc/28/29/27/558282927.db2.gz ZNGIECZDDRXLOS-HSZRJFAPSA-N 1 1 423.605 3.286 50 0 HGAAMO COc1cccc(CN2CCC[C@]3(CC[N@@H+](Cc4cccc(C)n4)C3)C2=O)c1OC ZINC000011822106 558285313 /nfs/dbraw/zinc/28/53/13/558285313.db2.gz KVGTYLXUCQBRJA-XMMPIXPASA-N 1 1 409.530 3.422 50 0 HGAAMO NC(=O)[C@@H]1CCC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCO3)C1 ZINC000011878939 558293374 /nfs/dbraw/zinc/29/33/74/558293374.db2.gz QYMDKKFNSBISMK-LJQANCHMSA-N 1 1 418.497 3.024 50 0 HGAAMO CCOc1ccc(C[NH+]2CCN(Cc3cc(OC)c(OC)cc3OC)CC2)cc1 ZINC000019853211 558295917 /nfs/dbraw/zinc/29/59/17/558295917.db2.gz VZSYJAJPYJGWTC-UHFFFAOYSA-N 1 1 400.519 3.429 50 0 HGAAMO COc1ccccc1OCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccc(C(C)=O)c2)C1 ZINC000012001537 558308421 /nfs/dbraw/zinc/30/84/21/558308421.db2.gz UDELWFJCDJEDQO-FQEVSTJZSA-N 1 1 410.514 3.305 50 0 HGAAMO Cn1cc(C[N@H+]2CCCC[C@H]2CCn2cccn2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000012058455 558316842 /nfs/dbraw/zinc/31/68/42/558316842.db2.gz BVJVZPTVNUYKSP-FQEVSTJZSA-N 1 1 407.518 3.500 50 0 HGAAMO O=C(NCCCn1ccnc1)[C@@H]1CC12CC[NH+](Cc1nc3ccccc3s1)CC2 ZINC000012150169 558338942 /nfs/dbraw/zinc/33/89/42/558338942.db2.gz AIICOOONYDWFFI-KRWDZBQOSA-N 1 1 409.559 3.301 50 0 HGAAMO CC(C)C[C@@H](NC(=O)c1cccnc1)c1nnc2n1CC[N@H+](Cc1cccs1)CC2 ZINC000012190944 558347576 /nfs/dbraw/zinc/34/75/76/558347576.db2.gz CQNWNUOAQGTHBD-LJQANCHMSA-N 1 1 424.574 3.310 50 0 HGAAMO Cc1nc(CC[NH2+]Cc2cc3ccc(F)cc3n(CCc3ccccc3)c2=O)n[nH]1 ZINC000020272645 558353113 /nfs/dbraw/zinc/35/31/13/558353113.db2.gz YQGRTEGTXVVQIA-UHFFFAOYSA-N 1 1 405.477 3.142 50 0 HGAAMO Cc1nnc(CC[NH2+]Cc2cc3ccc(F)cc3n(CCc3ccccc3)c2=O)[nH]1 ZINC000020272645 558353117 /nfs/dbraw/zinc/35/31/17/558353117.db2.gz YQGRTEGTXVVQIA-UHFFFAOYSA-N 1 1 405.477 3.142 50 0 HGAAMO COc1ccccc1-c1cc(C(=O)NCCC[NH+]2CCOCC2)c2ccccc2n1 ZINC000020275102 558353672 /nfs/dbraw/zinc/35/36/72/558353672.db2.gz BAXIRSFEGXBIIC-UHFFFAOYSA-N 1 1 405.498 3.363 50 0 HGAAMO CC[NH+]1CCN(CCCCOc2ccc(C)cc2I)CC1 ZINC000020406479 558360130 /nfs/dbraw/zinc/36/01/30/558360130.db2.gz UZBWQDLXTNEXLI-UHFFFAOYSA-N 1 1 402.320 3.396 50 0 HGAAMO O=C(c1ccc(-n2cnnn2)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020427666 558362452 /nfs/dbraw/zinc/36/24/52/558362452.db2.gz NBASXBUUNPZFKJ-UHFFFAOYSA-N 1 1 424.508 3.210 50 0 HGAAMO COc1ccccc1N1CCN([C@H]2CCC[N@@H+](Cc3cccc4c3OCO4)C2)CC1 ZINC000020451280 558365692 /nfs/dbraw/zinc/36/56/92/558365692.db2.gz ZCUYOWCTAUUJJV-FQEVSTJZSA-N 1 1 409.530 3.211 50 0 HGAAMO COc1ccccc1N1CC[NH+]([C@H]2CCCN(Cc3cccc4c3OCO4)C2)CC1 ZINC000020451280 558365694 /nfs/dbraw/zinc/36/56/94/558365694.db2.gz ZCUYOWCTAUUJJV-FQEVSTJZSA-N 1 1 409.530 3.211 50 0 HGAAMO C[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc(COc2ccc(F)cc2F)on1 ZINC000020451724 558365977 /nfs/dbraw/zinc/36/59/77/558365977.db2.gz QFRUHMBUTKHFLT-QGZVFWFLSA-N 1 1 413.424 3.318 50 0 HGAAMO C[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc(COc2ccc(F)cc2F)on1 ZINC000020451724 558365981 /nfs/dbraw/zinc/36/59/81/558365981.db2.gz QFRUHMBUTKHFLT-QGZVFWFLSA-N 1 1 413.424 3.318 50 0 HGAAMO CN(C(=O)c1cc(=O)c2ccccc2o1)[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012298821 558369085 /nfs/dbraw/zinc/36/90/85/558369085.db2.gz RQCCJWHTHXQRDR-IBGZPJMESA-N 1 1 402.494 3.497 50 0 HGAAMO COc1cc(OC)cc(C(=O)NC[C@H]2CCC[N@H+](Cc3nc4ccccc4[nH]3)C2)c1 ZINC000012304785 558373861 /nfs/dbraw/zinc/37/38/61/558373861.db2.gz GSIGRXBECGXWGM-MRXNPFEDSA-N 1 1 408.502 3.222 50 0 HGAAMO COc1cc(OC)cc(C(=O)NC[C@H]2CCC[N@@H+](Cc3nc4ccccc4[nH]3)C2)c1 ZINC000012304785 558373863 /nfs/dbraw/zinc/37/38/63/558373863.db2.gz GSIGRXBECGXWGM-MRXNPFEDSA-N 1 1 408.502 3.222 50 0 HGAAMO CCn1c2ccccc2c2cc(C[N@@H+]3CC[C@@H](N4CCC(O)CC4)[C@H](O)C3)ccc21 ZINC000012308291 558376638 /nfs/dbraw/zinc/37/66/38/558376638.db2.gz DLSYXSHIODEQJW-JWQCQUIFSA-N 1 1 407.558 3.206 50 0 HGAAMO CCn1c2ccccc2c2cc(C[N@H+]3CC[C@@H](N4CCC(O)CC4)[C@H](O)C3)ccc21 ZINC000012308291 558376640 /nfs/dbraw/zinc/37/66/40/558376640.db2.gz DLSYXSHIODEQJW-JWQCQUIFSA-N 1 1 407.558 3.206 50 0 HGAAMO CCOc1ccccc1CN1CC[N@@H+](Cc2cccc(-n3cccn3)c2)C[C@@H]1CCO ZINC000020778043 558412056 /nfs/dbraw/zinc/41/20/56/558412056.db2.gz IRFVBAPTDHWPCZ-DEOSSOPVSA-N 1 1 420.557 3.340 50 0 HGAAMO COc1ccc(OC)c(CC(=O)N(C)[C@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)c1 ZINC000012443674 558413129 /nfs/dbraw/zinc/41/31/29/558413129.db2.gz OIXXVLHBSKECFE-NRFANRHFSA-N 1 1 408.542 3.337 50 0 HGAAMO c1cc(C[N@@H+]2CCC[C@@H](N3CCN(c4ccccc4)CC3)C2)n(-c2ncccn2)c1 ZINC000020911344 558422136 /nfs/dbraw/zinc/42/21/36/558422136.db2.gz JZJOOTSJQWXPTR-JOCHJYFZSA-N 1 1 402.546 3.054 50 0 HGAAMO c1cc(C[N@H+]2CCC[C@@H](N3CCN(c4ccccc4)CC3)C2)n(-c2ncccn2)c1 ZINC000020911344 558422138 /nfs/dbraw/zinc/42/21/38/558422138.db2.gz JZJOOTSJQWXPTR-JOCHJYFZSA-N 1 1 402.546 3.054 50 0 HGAAMO Cc1ccc(C[N@@H+]2CCc3nnc([C@@H](NC(=O)c4ccoc4)C(C)C)n3CC2)cc1 ZINC000020914938 558422665 /nfs/dbraw/zinc/42/26/65/558422665.db2.gz QDVAENFCTHNGKO-NRFANRHFSA-N 1 1 407.518 3.365 50 0 HGAAMO COc1ccccc1C(=O)[C@H]1CCC[N@H+](Cc2cnc(N3CCOCC3)s2)C1 ZINC000020996375 558426818 /nfs/dbraw/zinc/42/68/18/558426818.db2.gz QVYQVBWMWYQKOI-INIZCTEOSA-N 1 1 401.532 3.083 50 0 HGAAMO COc1ccccc1C(=O)[C@H]1CCC[N@@H+](Cc2cnc(N3CCOCC3)s2)C1 ZINC000020996375 558426820 /nfs/dbraw/zinc/42/68/20/558426820.db2.gz QVYQVBWMWYQKOI-INIZCTEOSA-N 1 1 401.532 3.083 50 0 HGAAMO Cc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)C(=O)Cn2nc3ccccc3n2)C1 ZINC000012594363 558436912 /nfs/dbraw/zinc/43/69/12/558436912.db2.gz PCXKDQICSIUTTC-HXUWFJFHSA-N 1 1 405.546 3.153 50 0 HGAAMO COc1ccc(CC[N@@H+](C)[C@H]2CCCN(C(=O)Cc3cccs3)C2)cc1OC ZINC000012709124 558451339 /nfs/dbraw/zinc/45/13/39/558451339.db2.gz HPDYLRGGIBCXNU-SFHVURJKSA-N 1 1 402.560 3.473 50 0 HGAAMO CCN(C[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1)C(=O)CCCn1cncn1 ZINC000012714395 558454351 /nfs/dbraw/zinc/45/43/51/558454351.db2.gz BSYXLSHJMCTQDD-FQEVSTJZSA-N 1 1 401.530 3.001 50 0 HGAAMO COc1ccc(-n2cc(C[N@H+]3CCC[C@H](C(N)=O)C3)c(-c3cccc(F)c3)n2)cc1 ZINC000012746117 558457982 /nfs/dbraw/zinc/45/79/82/558457982.db2.gz QVOOCEXZRGJUIY-KRWDZBQOSA-N 1 1 408.477 3.384 50 0 HGAAMO CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000022038812 558459502 /nfs/dbraw/zinc/45/95/02/558459502.db2.gz YPTWRGJDQKNHPC-HNNXBMFYSA-N 1 1 401.532 3.166 50 0 HGAAMO C[NH+](C)[C@H](CNC(=O)COc1ccc(Br)cc1Cl)c1ccco1 ZINC000022381215 558484659 /nfs/dbraw/zinc/48/46/59/558484659.db2.gz DPYSAHWOPBVONT-CYBMUJFWSA-N 1 1 401.688 3.493 50 0 HGAAMO COc1ccc(CN2CC[N@@H+](CCc3ccccc3)[C@H](CCO)C2)c(Cl)c1OC ZINC000022852441 558517331 /nfs/dbraw/zinc/51/73/31/558517331.db2.gz HMSXLMHQGGIWNW-HXUWFJFHSA-N 1 1 418.965 3.469 50 0 HGAAMO Cc1cc(-n2cccn2)ccc1C[N@H+]1CCN(Cc2ccc(F)cc2)[C@@H](CCO)C1 ZINC000022920152 558522664 /nfs/dbraw/zinc/52/26/64/558522664.db2.gz QKGQLIQDIGCLKK-DEOSSOPVSA-N 1 1 408.521 3.389 50 0 HGAAMO O=C(CC[NH+]1CCN(CC(=O)Nc2ccc(F)cc2)CC1)Nc1cccc(Cl)c1 ZINC000022930649 558524283 /nfs/dbraw/zinc/52/42/83/558524283.db2.gz NZUWHEWMMJSIAZ-UHFFFAOYSA-N 1 1 418.900 3.064 50 0 HGAAMO COc1ccccc1OCC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(F)c(OC)c2)C1 ZINC000023310929 558548574 /nfs/dbraw/zinc/54/85/74/558548574.db2.gz DJTVJPDIVOHVIK-SFHVURJKSA-N 1 1 416.493 3.250 50 0 HGAAMO CCOc1ccccc1CN1CC[N@H+](Cc2ccc(NC(C)=O)cc2)C[C@@H]1CCO ZINC000023358714 558551355 /nfs/dbraw/zinc/55/13/55/558551355.db2.gz STDBWQHNQMVCPY-QHCPKHFHSA-N 1 1 411.546 3.113 50 0 HGAAMO CCOc1ccccc1CN1CC[N@@H+](Cc2ccc(NC(C)=O)cc2)C[C@@H]1CCO ZINC000023358714 558551357 /nfs/dbraw/zinc/55/13/57/558551357.db2.gz STDBWQHNQMVCPY-QHCPKHFHSA-N 1 1 411.546 3.113 50 0 HGAAMO OCC[C@@H]1CN(Cc2cccn2-c2cccnc2)CC[N@H+]1CCCc1ccccc1 ZINC000023373209 558553062 /nfs/dbraw/zinc/55/30/62/558553062.db2.gz NOZMSEZRCIEDSV-XMMPIXPASA-N 1 1 404.558 3.374 50 0 HGAAMO Cc1ccccc1C(=O)N1CCC[C@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000023373360 558553523 /nfs/dbraw/zinc/55/35/23/558553523.db2.gz OTHSHJCTNDLCOZ-NRFANRHFSA-N 1 1 421.541 3.146 50 0 HGAAMO Cc1nn(C)c2ncc(C(=O)N3CC[NH+](Cc4csc5ccccc45)CC3)cc12 ZINC000023755214 558574020 /nfs/dbraw/zinc/57/40/20/558574020.db2.gz VXQRBXRIGMAZCQ-UHFFFAOYSA-N 1 1 405.527 3.449 50 0 HGAAMO CCn1c(SCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nnc1-c1ccco1 ZINC000024762584 558611098 /nfs/dbraw/zinc/61/10/98/558611098.db2.gz OGIXFFLAHYLXLM-QGZVFWFLSA-N 1 1 411.531 3.041 50 0 HGAAMO O=C(CN1CCCCCC1=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000014119306 558622090 /nfs/dbraw/zinc/62/20/90/558622090.db2.gz ARSDLNMLHDCHCM-UHFFFAOYSA-N 1 1 405.542 3.323 50 0 HGAAMO CN(C)C(=O)[C@H](c1ccccc1)[NH+]1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000024984085 558624597 /nfs/dbraw/zinc/62/45/97/558624597.db2.gz YBTVWJXGKAEXLR-QFIPXVFZSA-N 1 1 408.498 3.182 50 0 HGAAMO Cc1nc(-c2ccccc2)[nH]c(=O)c1CCC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000026937088 558667484 /nfs/dbraw/zinc/66/74/84/558667484.db2.gz LXCITDCWSBDZKI-JOCHJYFZSA-N 1 1 416.525 3.193 50 0 HGAAMO Cc1nc(-c2ccccc2)[nH]c(=O)c1CCC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000026937088 558667487 /nfs/dbraw/zinc/66/74/87/558667487.db2.gz LXCITDCWSBDZKI-JOCHJYFZSA-N 1 1 416.525 3.193 50 0 HGAAMO O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H](C(=O)NC2CCCC2)C[N@@H+](Cc2ccncc2)C1 ZINC000014755429 558671731 /nfs/dbraw/zinc/67/17/31/558671731.db2.gz DRZJBJRRAICTNS-RBUKOAKNSA-N 1 1 424.520 3.356 50 0 HGAAMO O=c1c2cc(-c3cccs3)nn2ccn1Cc1noc(C[NH+]2CCCCCC2)n1 ZINC000065236004 558673535 /nfs/dbraw/zinc/67/35/35/558673535.db2.gz ROCPVTWYZJAXLY-UHFFFAOYSA-N 1 1 410.503 3.032 50 0 HGAAMO Cn1cc(CCC(=O)NCC2([N@@H+](C)Cc3ccccc3)Cc3ccccc3C2)cn1 ZINC000014956567 558682622 /nfs/dbraw/zinc/68/26/22/558682622.db2.gz TVNQPKGOLMCGHN-UHFFFAOYSA-N 1 1 402.542 3.139 50 0 HGAAMO CC(C)c1ccc(C[N@@H+]2C[C@H](n3cnnn3)C[C@H]2C(=O)NC2CCCCCC2)cc1 ZINC000014980867 558691250 /nfs/dbraw/zinc/69/12/50/558691250.db2.gz AXTZZVBBDIFUPY-YADHBBJMSA-N 1 1 410.566 3.451 50 0 HGAAMO CC(C)c1ccc(C[N@H+]2C[C@H](n3cnnn3)C[C@H]2C(=O)NC2CCCCCC2)cc1 ZINC000014980867 558691252 /nfs/dbraw/zinc/69/12/52/558691252.db2.gz AXTZZVBBDIFUPY-YADHBBJMSA-N 1 1 410.566 3.451 50 0 HGAAMO C[C@@H](c1nccs1)N1C(=O)c2cccc(N3CC[NH+](Cc4ccoc4)CC3)c2C1=O ZINC000014983374 558692497 /nfs/dbraw/zinc/69/24/97/558692497.db2.gz GGRPAGXYGKMIEU-HNNXBMFYSA-N 1 1 422.510 3.416 50 0 HGAAMO COc1ccc([C@@H](CNS(=O)(=O)c2cccc3cccnc32)[NH+]2CCCC2)cc1 ZINC000028249269 558693478 /nfs/dbraw/zinc/69/34/78/558693478.db2.gz HIVUQFBJHZMBIR-HXUWFJFHSA-N 1 1 411.527 3.359 50 0 HGAAMO CC[C@H]1C[N@@H+](CCC(=O)NCc2ccc3c(c2)OCO3)Cc2cc(OC)ccc2O1 ZINC000014995299 558696018 /nfs/dbraw/zinc/69/60/18/558696018.db2.gz UAZQJCZNUORSGJ-SFHVURJKSA-N 1 1 412.486 3.103 50 0 HGAAMO CCOC(=O)[C@H](c1ccc(Cl)cc1)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000028693622 558703749 /nfs/dbraw/zinc/70/37/49/558703749.db2.gz HSGTZIBYSYCMMA-RTWAWAEBSA-N 1 1 402.922 3.295 50 0 HGAAMO CCOC(=O)N1CC[NH+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)CC1 ZINC000028843715 558705765 /nfs/dbraw/zinc/70/57/65/558705765.db2.gz CGYRFSISXUMITF-HXUWFJFHSA-N 1 1 401.532 3.118 50 0 HGAAMO COc1ccc(OCc2cc(C(=O)N(C)C[C@H]3CCCC[N@H+]3C)n[nH]2)c(Cl)c1 ZINC000015066082 558709008 /nfs/dbraw/zinc/70/90/08/558709008.db2.gz PYDXEJSSXRZURH-OAHLLOKOSA-N 1 1 406.914 3.207 50 0 HGAAMO COc1ccc(OCc2cc(C(=O)N(C)C[C@H]3CCCC[N@@H+]3C)[nH]n2)c(Cl)c1 ZINC000015066082 558709010 /nfs/dbraw/zinc/70/90/10/558709010.db2.gz PYDXEJSSXRZURH-OAHLLOKOSA-N 1 1 406.914 3.207 50 0 HGAAMO COc1ccc(OCc2cc(C(=O)N(C)C[C@H]3CCCC[N@H+]3C)[nH]n2)c(Cl)c1 ZINC000015066082 558709013 /nfs/dbraw/zinc/70/90/13/558709013.db2.gz PYDXEJSSXRZURH-OAHLLOKOSA-N 1 1 406.914 3.207 50 0 HGAAMO Cn1cc(C(=O)N[C@H]2CCC[N@@H+](CCCc3ccccc3)C2)c(=O)c2ccccc21 ZINC000015070244 558712353 /nfs/dbraw/zinc/71/23/53/558712353.db2.gz JJFOAINPUFYSCH-FQEVSTJZSA-N 1 1 403.526 3.366 50 0 HGAAMO O[C@@H]1C[N@H+](Cc2cccc(Cl)c2)CC[C@H]1N1CCN(c2ccccc2F)CC1 ZINC000015077746 558717272 /nfs/dbraw/zinc/71/72/72/558717272.db2.gz GSXVIUHQRUZZIN-FGZHOGPDSA-N 1 1 403.929 3.237 50 0 HGAAMO O[C@@H]1C[N@@H+](Cc2cccc(Cl)c2)CC[C@H]1N1CCN(c2ccccc2F)CC1 ZINC000015077746 558717275 /nfs/dbraw/zinc/71/72/75/558717275.db2.gz GSXVIUHQRUZZIN-FGZHOGPDSA-N 1 1 403.929 3.237 50 0 HGAAMO COc1ccc(CC(=O)NC[C@H]2CCC[N@H+](Cc3nc4cc(F)ccc4[nH]3)C2)cc1 ZINC000015078880 558717885 /nfs/dbraw/zinc/71/78/85/558717885.db2.gz BDRKZNPSEIMHNM-QGZVFWFLSA-N 1 1 410.493 3.282 50 0 HGAAMO COc1ccc(CC(=O)NC[C@H]2CCC[N@@H+](Cc3nc4cc(F)ccc4[nH]3)C2)cc1 ZINC000015078880 558717888 /nfs/dbraw/zinc/71/78/88/558717888.db2.gz BDRKZNPSEIMHNM-QGZVFWFLSA-N 1 1 410.493 3.282 50 0 HGAAMO C[N@@H+](Cc1c(C(=O)N2CCCCC2)nc2sccn12)C[C@H]1Cc2ccccc2O1 ZINC000015080645 558718640 /nfs/dbraw/zinc/71/86/40/558718640.db2.gz DMQXDUVMZYCRMZ-QGZVFWFLSA-N 1 1 410.543 3.457 50 0 HGAAMO C[N@H+](Cc1c(C(=O)N2CCCCC2)nc2sccn12)C[C@H]1Cc2ccccc2O1 ZINC000015080645 558718644 /nfs/dbraw/zinc/71/86/44/558718644.db2.gz DMQXDUVMZYCRMZ-QGZVFWFLSA-N 1 1 410.543 3.457 50 0 HGAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000029992221 558725586 /nfs/dbraw/zinc/72/55/86/558725586.db2.gz YABUQPVSBFVIRL-NRFANRHFSA-N 1 1 402.535 3.009 50 0 HGAAMO CCOC(=O)C1=C(C[NH+]2C[C@H](C)C[C@@H](C)C2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000015319070 558732344 /nfs/dbraw/zinc/73/23/44/558732344.db2.gz GNKWWMYSQVHRQX-PJIJBLCYSA-N 1 1 405.926 3.489 50 0 HGAAMO CCNC(=O)NC(=O)[C@H](C)[N@H+](C)Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000015481071 558740969 /nfs/dbraw/zinc/74/09/69/558740969.db2.gz LZEWOXNBEDJCJU-LBPRGKRZSA-N 1 1 408.296 3.375 50 0 HGAAMO CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000015481071 558740971 /nfs/dbraw/zinc/74/09/71/558740971.db2.gz LZEWOXNBEDJCJU-LBPRGKRZSA-N 1 1 408.296 3.375 50 0 HGAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1nc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 ZINC000033088543 558760909 /nfs/dbraw/zinc/76/09/09/558760909.db2.gz SOGREQQLUAERFL-GFCCVEGCSA-N 1 1 422.411 3.007 50 0 HGAAMO Cc1cc(C)n(-c2ccc(F)cc2CN2CC[N@@H+](C3CCCC3)[C@H](CCO)C2)n1 ZINC000036385640 558799594 /nfs/dbraw/zinc/79/95/94/558799594.db2.gz BRTTXYSXBFTPOW-JOCHJYFZSA-N 1 1 400.542 3.439 50 0 HGAAMO C[NH+]1CCN(c2nc3c(cnn3-c3ccccc3)c(Nc3ccc(F)cc3)n2)CC1 ZINC000016916060 558809202 /nfs/dbraw/zinc/80/92/02/558809202.db2.gz DEFPSVZPUKGYKG-UHFFFAOYSA-N 1 1 403.465 3.450 50 0 HGAAMO CCn1nc(C)c(CN2CC[N@@H+](Cc3ccc(OC)c(C)c3C)[C@H](CCO)C2)c1C ZINC000038149493 558810983 /nfs/dbraw/zinc/81/09/83/558810983.db2.gz JRIMTWFYGWITJW-JOCHJYFZSA-N 1 1 414.594 3.214 50 0 HGAAMO COc1ccc2nc(-c3ccc(C)o3)cc(C(=O)NCCC[NH+]3CCOCC3)c2c1 ZINC000017088265 558817036 /nfs/dbraw/zinc/81/70/36/558817036.db2.gz QJXNBIBBOXPPBH-UHFFFAOYSA-N 1 1 409.486 3.264 50 0 HGAAMO CCn1cc(CN2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)c2ccccc21 ZINC000039478989 558821639 /nfs/dbraw/zinc/82/16/39/558821639.db2.gz GOTONOCSYXZXPJ-HSZRJFAPSA-N 1 1 412.622 3.403 50 0 HGAAMO CCCn1ncc(CN2CC[N@@H+](Cc3ccc(OC)c(C)c3C)[C@H](CCO)C2)c1C ZINC000039537541 558822207 /nfs/dbraw/zinc/82/22/07/558822207.db2.gz IILSZUWZPKMJGG-HSZRJFAPSA-N 1 1 414.594 3.296 50 0 HGAAMO COC(=O)c1ccc(N2C(=O)C[C@@H]([NH+]3CCC(Cc4ccccc4)CC3)C2=O)cc1 ZINC000018123288 558831674 /nfs/dbraw/zinc/83/16/74/558831674.db2.gz POQFTGFCSKRKML-OAQYLSRUSA-N 1 1 406.482 3.060 50 0 HGAAMO Cc1nnc(C(=O)Nc2cccc(C(=O)NCCC[N@H+](C)Cc3ccccc3)c2)s1 ZINC000033022596 558837676 /nfs/dbraw/zinc/83/76/76/558837676.db2.gz UYWFZMPQBRQQPJ-UHFFFAOYSA-N 1 1 423.542 3.351 50 0 HGAAMO C[N@@H+](Cc1ccc(-c2nc(-c3ccncc3)cc(=O)[n-]2)cc1)CC1CC[NH+](C)CC1 ZINC000048139980 558843211 /nfs/dbraw/zinc/84/32/11/558843211.db2.gz OUVWARWKURNCDM-UHFFFAOYSA-N 1 1 403.530 3.273 50 0 HGAAMO C[N@H+](Cc1ccc(-c2nc(-c3ccncc3)cc(=O)[n-]2)cc1)CC1CC[NH+](C)CC1 ZINC000048139980 558843214 /nfs/dbraw/zinc/84/32/14/558843214.db2.gz OUVWARWKURNCDM-UHFFFAOYSA-N 1 1 403.530 3.273 50 0 HGAAMO COc1ccccc1C(=O)[C@H]1CCC[N@@H+](Cc2cn(CC(N)=O)c3ccccc23)C1 ZINC000019148512 558847053 /nfs/dbraw/zinc/84/70/53/558847053.db2.gz FWVJNODULSMMHV-KRWDZBQOSA-N 1 1 405.498 3.230 50 0 HGAAMO CC(=O)Nc1c(-c2ccccc2)c(C)nn1-c1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000033037071 558861381 /nfs/dbraw/zinc/86/13/81/558861381.db2.gz OBXFNOYFRVXOLP-UHFFFAOYSA-N 1 1 417.513 3.194 50 0 HGAAMO O=S(=O)(/C=C/c1ccccc1)N1CCC[C@@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000055270655 558878183 /nfs/dbraw/zinc/87/81/83/558878183.db2.gz SOSGASBEBGCRDN-UOCRBVKVSA-N 1 1 411.571 3.274 50 0 HGAAMO CCOc1ccccc1NC(=O)N1CC[NH+](CCn2c(CC)nc3cccnc32)CC1 ZINC000033139815 558891563 /nfs/dbraw/zinc/89/15/63/558891563.db2.gz IDKKALPIXGWIAK-UHFFFAOYSA-N 1 1 422.533 3.242 50 0 HGAAMO Cc1cccc(OCC(=O)Nc2cc(C(=O)N3CC[NH+](C)CC3)ccc2Cl)c1 ZINC000071384883 558897138 /nfs/dbraw/zinc/89/71/38/558897138.db2.gz CFVRKRLRSOIMNU-UHFFFAOYSA-N 1 1 401.894 3.054 50 0 HGAAMO O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)c1cccc(C[NH+]2CCCC2)c1 ZINC000058411401 558925066 /nfs/dbraw/zinc/92/50/66/558925066.db2.gz KJQHVNHZRXIGAZ-UHFFFAOYSA-N 1 1 406.935 3.140 50 0 HGAAMO Cc1ccccc1CN1CCC([N@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082083741 559036649 /nfs/dbraw/zinc/03/66/49/559036649.db2.gz WBBCZYYJMTUITQ-QFIPXVFZSA-N 1 1 406.574 3.383 50 0 HGAAMO O=C(NCc1ccccn1)[C@@H]1CCC[N@H+](C2CCN(CCCC(F)(F)F)CC2)C1 ZINC000082098175 559037890 /nfs/dbraw/zinc/03/78/90/559037890.db2.gz JBRXXALIHVHERH-QGZVFWFLSA-N 1 1 412.500 3.217 50 0 HGAAMO CC(C)(C)COC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082134879 559040041 /nfs/dbraw/zinc/04/00/41/559040041.db2.gz CCGZJGHUGLPNFC-SFHVURJKSA-N 1 1 416.566 3.057 50 0 HGAAMO Cc1ccc(CN(C)C(=O)[C@@H]2CCC[N@H+](C3CCN(Cc4ccncc4)CC3)C2)o1 ZINC000082138663 559040604 /nfs/dbraw/zinc/04/06/04/559040604.db2.gz QWMCWVOJHYOFPB-OAQYLSRUSA-N 1 1 410.562 3.318 50 0 HGAAMO CC(C)Cn1c2ccccc2nc(-c2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c1=O ZINC000033298544 559047941 /nfs/dbraw/zinc/04/79/41/559047941.db2.gz OBOVOOJYBGIAIM-UHFFFAOYSA-N 1 1 404.514 3.107 50 0 HGAAMO O[C@H](COCCOc1ccc(Cl)cc1)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000023224726 559062737 /nfs/dbraw/zinc/06/27/37/559062737.db2.gz KFWDPBBIOWYIKR-SFHVURJKSA-N 1 1 408.901 3.058 50 0 HGAAMO CN(C[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1)C(=O)c1ccc(=O)n(C)c1 ZINC000095498191 559081689 /nfs/dbraw/zinc/08/16/89/559081689.db2.gz UQNGOSYQHYUMBB-SFHVURJKSA-N 1 1 401.938 3.065 50 0 HGAAMO Cn1c(C[NH+]2CCC3(CC2)c2[nH]cnc2CCN3C(=O)C2CC2)cc2ccccc21 ZINC000095531069 559086832 /nfs/dbraw/zinc/08/68/32/559086832.db2.gz FUDBFDRNAPXZKS-UHFFFAOYSA-N 1 1 403.530 3.187 50 0 HGAAMO COc1cccc(C[N@@H+]2CCN(Cc3c(C)nn(C(C)C)c3C)C[C@H]2CCO)c1 ZINC000096851289 559112549 /nfs/dbraw/zinc/11/25/49/559112549.db2.gz VKVZPCGNDLZCFO-OAQYLSRUSA-N 1 1 400.567 3.158 50 0 HGAAMO COc1cccc(C[N@H+]2CCN(Cc3c(C)nn(C(C)C)c3C)C[C@H]2CCO)c1 ZINC000096851289 559112550 /nfs/dbraw/zinc/11/25/50/559112550.db2.gz VKVZPCGNDLZCFO-OAQYLSRUSA-N 1 1 400.567 3.158 50 0 HGAAMO O=C(C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1)NC[C@H]1COc2ccccc2O1 ZINC000247799014 559119120 /nfs/dbraw/zinc/11/91/20/559119120.db2.gz TYNVYXYIZKGDFU-IRXDYDNUSA-N 1 1 423.538 3.432 50 0 HGAAMO O=C(C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1)NC[C@H]1COc2ccccc2O1 ZINC000247799014 559119122 /nfs/dbraw/zinc/11/91/22/559119122.db2.gz TYNVYXYIZKGDFU-IRXDYDNUSA-N 1 1 423.538 3.432 50 0 HGAAMO O=C(C[N@H+]1CC[C@H]2CCCC[C@H]2C1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000247801589 559119186 /nfs/dbraw/zinc/11/91/86/559119186.db2.gz VZRZWBFGPKVRJF-MOPGFXCFSA-N 1 1 419.591 3.312 50 0 HGAAMO CC(=O)Nc1ccc(N2C(=O)C[C@H]([NH2+]Cc3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000101359269 559146614 /nfs/dbraw/zinc/14/66/14/559146614.db2.gz OAIBYQINFULFQP-KRWDZBQOSA-N 1 1 406.269 3.374 50 0 HGAAMO O=C1C[C@@H](N2CC[NH+](Cc3ccccc3)CC2)C(=O)N1c1ccccc1C(F)(F)F ZINC000100116618 559155635 /nfs/dbraw/zinc/15/56/35/559155635.db2.gz VJUZXZKEHGSFGT-LJQANCHMSA-N 1 1 417.431 3.155 50 0 HGAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2cc3c(c4ccccc4n(C)c3=O)n2C)C1 ZINC000004938782 559211629 /nfs/dbraw/zinc/21/16/29/559211629.db2.gz HCJPMRVAHBDYKB-CALCHBBNSA-N 1 1 408.546 3.128 50 0 HGAAMO C[NH+]1CCN(c2ccc(-c3cccc(NC(=O)c4ccc(F)c(F)c4)c3)nn2)CC1 ZINC000004939851 559212337 /nfs/dbraw/zinc/21/23/37/559212337.db2.gz XTCPOFXGJJYBMA-UHFFFAOYSA-N 1 1 409.440 3.426 50 0 HGAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@H]2CCC[N@@H+]21 ZINC000247915209 559249413 /nfs/dbraw/zinc/24/94/13/559249413.db2.gz MLICOSSRVQCELY-YDSTWLSQSA-N 1 1 421.884 3.080 50 0 HGAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000247915209 559249414 /nfs/dbraw/zinc/24/94/14/559249414.db2.gz MLICOSSRVQCELY-YDSTWLSQSA-N 1 1 421.884 3.080 50 0 HGAAMO Cc1ccccc1N1C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@]3(C(=O)Nc4c3cccc4Cl)[C@H]2C1=O ZINC000248121523 559263770 /nfs/dbraw/zinc/26/37/70/559263770.db2.gz RXVQTQOBVYFGOD-JFNLIGNMSA-N 1 1 421.884 3.080 50 0 HGAAMO Cc1ccccc1N1C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(C(=O)Nc4c3cccc4Cl)[C@H]2C1=O ZINC000248121523 559263772 /nfs/dbraw/zinc/26/37/72/559263772.db2.gz RXVQTQOBVYFGOD-JFNLIGNMSA-N 1 1 421.884 3.080 50 0 HGAAMO Cc1ccccc1N1C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@@]3(C(=O)Nc4c3cccc4Cl)[C@H]2C1=O ZINC000248121526 559263823 /nfs/dbraw/zinc/26/38/23/559263823.db2.gz RXVQTQOBVYFGOD-PMECCGAFSA-N 1 1 421.884 3.080 50 0 HGAAMO Cc1ccccc1N1C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4c3cccc4Cl)[C@H]2C1=O ZINC000248121526 559263824 /nfs/dbraw/zinc/26/38/24/559263824.db2.gz RXVQTQOBVYFGOD-PMECCGAFSA-N 1 1 421.884 3.080 50 0 HGAAMO Cc1cccc(CN2CCC[C@@]3(CC[N@@H+](CCC(=O)NCc4ccco4)C3)C2=O)c1 ZINC000426434188 559271429 /nfs/dbraw/zinc/27/14/29/559271429.db2.gz ZSICNUPYCPGDQN-DEOSSOPVSA-N 1 1 409.530 3.109 50 0 HGAAMO C[NH+]1CCN(c2ccc(-c3ccc(NC(=O)c4c(F)cccc4F)cc3)nn2)CC1 ZINC000005259415 560551009 /nfs/dbraw/zinc/55/10/09/560551009.db2.gz MPDQURVGYQNHBG-UHFFFAOYSA-N 1 1 409.440 3.426 50 0 HGAAMO C[NH+]1CCN(c2ccc(-c3cccc(NC(=O)Cc4ccc(F)cc4)c3)nn2)CC1 ZINC000005259162 560551272 /nfs/dbraw/zinc/55/12/72/560551272.db2.gz NUFRICVVOPCXKA-UHFFFAOYSA-N 1 1 405.477 3.216 50 0 HGAAMO COCCCN(C[C@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)c1cc(-c2cccnc2)n[nH]1 ZINC000409415106 560723452 /nfs/dbraw/zinc/72/34/52/560723452.db2.gz TZXOHCPJFHMULX-KNQAVFIVSA-N 1 1 411.550 3.215 50 0 HGAAMO COCCCN(C[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)c1cc(-c2cccnc2)[nH]n1 ZINC000409415106 560723453 /nfs/dbraw/zinc/72/34/53/560723453.db2.gz TZXOHCPJFHMULX-KNQAVFIVSA-N 1 1 411.550 3.215 50 0 HGAAMO COCCCN(C[C@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)c1cc(-c2cccnc2)[nH]n1 ZINC000409415106 560723454 /nfs/dbraw/zinc/72/34/54/560723454.db2.gz TZXOHCPJFHMULX-KNQAVFIVSA-N 1 1 411.550 3.215 50 0 HGAAMO COc1ccc(C(=O)c2c[nH+]c3ccc(OC)cc3c2N2CCC(C(N)=O)CC2)cc1 ZINC000101552071 560797088 /nfs/dbraw/zinc/79/70/88/560797088.db2.gz NIYKCTDDJXAZTR-UHFFFAOYSA-N 1 1 419.481 3.185 50 0 HGAAMO CC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]3CCC[N@H+]3[C@]23c2ccccc2N(C)C3=O)cc1 ZINC000103733248 560844089 /nfs/dbraw/zinc/84/40/89/560844089.db2.gz DRDWZWPEMFPULX-LJFZDNNRSA-N 1 1 403.482 3.184 50 0 HGAAMO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000106536316 560892258 /nfs/dbraw/zinc/89/22/58/560892258.db2.gz GDODBXYULPSREU-GKAYAJSDSA-N 1 1 421.884 3.080 50 0 HGAAMO O=C(CCc1ccccc1Br)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000108141122 560897988 /nfs/dbraw/zinc/89/79/88/560897988.db2.gz NFWBWQJZRLZGPZ-OALUTQOASA-N 1 1 417.347 3.133 50 0 HGAAMO CCC[N@@H+](Cc1cc(OC)c(OC)c(OC)c1)Cc1cc(=O)n2cc(C)ccc2n1 ZINC000045974122 568422794 /nfs/dbraw/zinc/42/27/94/568422794.db2.gz FZVIPOUMIOORTN-UHFFFAOYSA-N 1 1 411.502 3.441 50 0 HGAAMO Cc1nc2ccc(NC(=O)NCc3ccc(N4CCC[N@H+](C)CC4)nc3)cc2s1 ZINC000048237633 568433115 /nfs/dbraw/zinc/43/31/15/568433115.db2.gz BXAALYZOXHIJBW-UHFFFAOYSA-N 1 1 410.547 3.463 50 0 HGAAMO O=C(NCC1CC1)[C@H]1CCC[N@@H+](Cc2cc(=O)n3c(-c4ccccc4)csc3n2)C1 ZINC000048303171 568437956 /nfs/dbraw/zinc/43/79/56/568437956.db2.gz HEGBMSRZWOAUGS-SFHVURJKSA-N 1 1 422.554 3.161 50 0 HGAAMO COc1ccc(OC)c(S(=O)(=O)N2CC[NH+]([C@@H](C)CCc3ccccc3)CC2)c1 ZINC000048332465 568440142 /nfs/dbraw/zinc/44/01/42/568440142.db2.gz GMIKNWCUNYJBDY-SFHVURJKSA-N 1 1 418.559 3.031 50 0 HGAAMO Cc1ccc(C[N@H+]2CCc3ncn(CC(=O)Nc4ccc(C)cc4)c(=O)c3C2)cc1 ZINC000049400902 568447577 /nfs/dbraw/zinc/44/75/77/568447577.db2.gz BMHGKOJRACGYDT-UHFFFAOYSA-N 1 1 402.498 3.057 50 0 HGAAMO CCCN(C)c1ccc(C(=O)N2CCC(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000222117505 568514190 /nfs/dbraw/zinc/51/41/90/568514190.db2.gz GXAGBJXVYCQLHZ-PMACEKPBSA-N 1 1 417.594 3.263 50 0 HGAAMO CC[NH+]1CCN([C@H](c2cccs2)[C@H](C)NC(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000020288082 568597457 /nfs/dbraw/zinc/59/74/57/568597457.db2.gz JLMDVKXRPNVNLO-KKSFZXQISA-N 1 1 417.575 3.262 50 0 HGAAMO CC[NH+]1CCN([C@@H](c2cccs2)[C@H](C)NC(=O)c2cccc(OC)c2OC)CC1 ZINC000020288090 568597460 /nfs/dbraw/zinc/59/74/60/568597460.db2.gz JGRZWCOBOHKORQ-OXJNMPFZSA-N 1 1 417.575 3.262 50 0 HGAAMO CCCN(C)c1ccc(C(=O)N2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000095459671 568619809 /nfs/dbraw/zinc/61/98/09/568619809.db2.gz GXAGBJXVYCQLHZ-BGYRXZFFSA-N 1 1 417.594 3.263 50 0 HGAAMO CCCN(C)c1ccc(C(=O)N2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000095459671 568619810 /nfs/dbraw/zinc/61/98/10/568619810.db2.gz GXAGBJXVYCQLHZ-BGYRXZFFSA-N 1 1 417.594 3.263 50 0 HGAAMO CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)N2CC[NH+](C)CC2)[C@H]1c1cccs1 ZINC000020508296 568620204 /nfs/dbraw/zinc/62/02/04/568620204.db2.gz RKGILORZWVCPSG-NHCUHLMSSA-N 1 1 411.571 3.459 50 0 HGAAMO COc1ccc2cc(CN(C)C(=O)C[N@@H+](C)C[C@H]3CCn4ccnc4C3)ccc2c1 ZINC000225671917 568662691 /nfs/dbraw/zinc/66/26/91/568662691.db2.gz NYHCMLOXEUVQOZ-IBGZPJMESA-N 1 1 406.530 3.198 50 0 HGAAMO O=C(NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1cc(F)cc(Br)c1 ZINC000096007078 568683242 /nfs/dbraw/zinc/68/32/42/568683242.db2.gz MNVYPNMOGNDWQV-IBGZPJMESA-N 1 1 421.310 3.475 50 0 HGAAMO CCC[NH+]1CCN(C(=O)c2c(C)oc3ccn(Cc4ccccc4F)c(=O)c32)CC1 ZINC000096396532 568745081 /nfs/dbraw/zinc/74/50/81/568745081.db2.gz XSIJVEXUNDUNLE-UHFFFAOYSA-N 1 1 411.477 3.258 50 0 HGAAMO COc1ccc2c(c1)N1CC[N@H+](Cc3ccc(F)cc3)C[C@H]1[C@@H](C(=O)NC(C)C)C2 ZINC000230138090 568851160 /nfs/dbraw/zinc/85/11/60/568851160.db2.gz MGAJNFHGUSLJQZ-GMAHTHKFSA-N 1 1 411.521 3.222 50 0 HGAAMO Cc1ccc(S(=O)(=O)N[C@H](C[N@@H+]2C[C@H](CO)CC[C@H]2C)c2ccccc2)cc1 ZINC000230199789 568854559 /nfs/dbraw/zinc/85/45/59/568854559.db2.gz DTNOJFNBTQNVPA-WOIUINJBSA-N 1 1 402.560 3.107 50 0 HGAAMO CC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]3CCC[N@@H+]3[C@@]23c2ccccc2N(C)C3=O)c1 ZINC000057992607 568873041 /nfs/dbraw/zinc/87/30/41/568873041.db2.gz GWKQRCRWPHCEDS-WXVUKLJWSA-N 1 1 403.482 3.184 50 0 HGAAMO CC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]3CCC[N@H+]3[C@@]23c2ccccc2N(C)C3=O)c1 ZINC000057992607 568873042 /nfs/dbraw/zinc/87/30/42/568873042.db2.gz GWKQRCRWPHCEDS-WXVUKLJWSA-N 1 1 403.482 3.184 50 0 HGAAMO CC[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)NCCc1nc2sc(C)c(C)c2c(=O)[nH]1 ZINC000670435291 568873353 /nfs/dbraw/zinc/87/33/53/568873353.db2.gz BNCBSTWEWQPMQB-QGZVFWFLSA-N 1 1 410.543 3.119 50 0 HGAAMO CC[N@H+]1Cc2ccccc2C[C@@H]1C(=O)NCCc1nc2sc(C)c(C)c2c(=O)[nH]1 ZINC000670435291 568873355 /nfs/dbraw/zinc/87/33/55/568873355.db2.gz BNCBSTWEWQPMQB-QGZVFWFLSA-N 1 1 410.543 3.119 50 0 HGAAMO C[NH+](C)[C@@H](CNC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1ccco1 ZINC000003378643 568891819 /nfs/dbraw/zinc/89/18/19/568891819.db2.gz JMMDTGNTPCFMCW-WMZOPIPTSA-N 1 1 403.910 3.204 50 0 HGAAMO COc1c2c(cc3c1[C@@H](C[C@H](O)CCc1ccc4c(c1)OCO4)[N@@H+](C)CC3)OCO2 ZINC000004042835 568935913 /nfs/dbraw/zinc/93/59/13/568935913.db2.gz SDGLWTATVZQCPU-IAGOWNOFSA-N 1 1 413.470 3.065 50 0 biogenic HGAAMO Cc1ccccc1C[NH+]1CCN(C(=O)c2ccc(S[C@H]3CCOC3=O)cc2)CC1 ZINC000084243922 568944915 /nfs/dbraw/zinc/94/49/15/568944915.db2.gz ZZDQKCUOPFEDEA-NRFANRHFSA-N 1 1 410.539 3.361 50 0 HGAAMO O=C(C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)NCc1ccc2c(c1)OCO2 ZINC000008310347 568988584 /nfs/dbraw/zinc/98/85/84/568988584.db2.gz IINPMNIWOVOHMW-SFHVURJKSA-N 1 1 410.470 3.030 50 0 HGAAMO O=C(C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)NCc1ccc2c(c1)OCO2 ZINC000008310347 568988585 /nfs/dbraw/zinc/98/85/85/568988585.db2.gz IINPMNIWOVOHMW-SFHVURJKSA-N 1 1 410.470 3.030 50 0 HGAAMO COc1ccc(C)cc1NC(=O)[C@@H](C)[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000012819160 568990976 /nfs/dbraw/zinc/99/09/76/568990976.db2.gz XJSHCUKEWPPFOT-GOSISDBHSA-N 1 1 409.530 3.359 50 0 HGAAMO COc1ccc(Nc2cc(C)[nH+]c(NCCNC(=O)c3sc(C)nc3C)n2)cc1 ZINC000038488328 568997595 /nfs/dbraw/zinc/99/75/95/568997595.db2.gz MMAXJGLIPMXAHI-UHFFFAOYSA-N 1 1 412.519 3.452 50 0 HGAAMO COc1cc(CN2CC[N@@H+](Cc3c[nH]c4ccccc34)C[C@H]2CCO)cc(OC)c1 ZINC000104327473 569008393 /nfs/dbraw/zinc/00/83/93/569008393.db2.gz SGULMEIZOAKGCK-HXUWFJFHSA-N 1 1 409.530 3.254 50 0 HGAAMO COc1cc(C[N@@H+]2CCN(Cc3cccc(Cl)c3)C[C@H]2CCO)cc(OC)c1 ZINC000104322078 569008412 /nfs/dbraw/zinc/00/84/12/569008412.db2.gz JVXAARANRDCNHN-HXUWFJFHSA-N 1 1 404.938 3.426 50 0 HGAAMO COc1cc(C[N@H+]2CCN(Cc3cccc(Cl)c3)C[C@H]2CCO)cc(OC)c1 ZINC000104322078 569008413 /nfs/dbraw/zinc/00/84/13/569008413.db2.gz JVXAARANRDCNHN-HXUWFJFHSA-N 1 1 404.938 3.426 50 0 HGAAMO COc1ccc(CN2CC[N@H+](Cc3cccn3-c3cccnc3)C[C@H]2CCO)c(F)c1 ZINC000104513840 569008901 /nfs/dbraw/zinc/00/89/01/569008901.db2.gz OCWHUWGDMBFFRV-OAQYLSRUSA-N 1 1 424.520 3.089 50 0 HGAAMO COc1ccc(CN2CC[N@@H+](Cc3cccn3-c3cccnc3)C[C@H]2CCO)c(F)c1 ZINC000104513840 569008902 /nfs/dbraw/zinc/00/89/02/569008902.db2.gz OCWHUWGDMBFFRV-OAQYLSRUSA-N 1 1 424.520 3.089 50 0 HGAAMO CCOc1ccccc1CN1CCN(Cc2cc(CC(C)C)[nH]n2)C[C@H]1CCO ZINC000104627326 569009017 /nfs/dbraw/zinc/00/90/17/569009017.db2.gz SOXSCXCFBRXXEQ-JOCHJYFZSA-N 1 1 400.567 3.076 50 0 HGAAMO CCOc1ccccc1C[N@@H+]1CCN(Cc2cc(CC(C)C)n[nH]2)C[C@H]1CCO ZINC000104627326 569009018 /nfs/dbraw/zinc/00/90/18/569009018.db2.gz SOXSCXCFBRXXEQ-JOCHJYFZSA-N 1 1 400.567 3.076 50 0 HGAAMO CCOc1ccccc1C[N@H+]1CCN(Cc2cc(CC(C)C)n[nH]2)C[C@H]1CCO ZINC000104627326 569009019 /nfs/dbraw/zinc/00/90/19/569009019.db2.gz SOXSCXCFBRXXEQ-JOCHJYFZSA-N 1 1 400.567 3.076 50 0 HGAAMO Cc1cc(OCC(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)c2c3c(c(=O)oc2c1)CCC3 ZINC000085875856 569009517 /nfs/dbraw/zinc/00/95/17/569009517.db2.gz GZKZUSFMHOOODR-FXAWDEMLSA-N 1 1 424.541 3.350 50 0 biogenic HGAAMO Cc1oc(-c2ccc(C)cc2)nc1C[S@](=O)CC(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000015879151 569017842 /nfs/dbraw/zinc/01/78/42/569017842.db2.gz VGIOORNWHGPWLE-CQGGRAHPSA-N 1 1 417.575 3.198 50 0 HGAAMO Cc1oc(-c2ccc(C)cc2)nc1C[S@](=O)CC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000015879151 569017843 /nfs/dbraw/zinc/01/78/43/569017843.db2.gz VGIOORNWHGPWLE-CQGGRAHPSA-N 1 1 417.575 3.198 50 0 HGAAMO COc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)N2CCN(c3ccccn3)CC2)cc1 ZINC000012912268 569021907 /nfs/dbraw/zinc/02/19/07/569021907.db2.gz OVLKRBIZQIAQOJ-QFIPXVFZSA-N 1 1 408.546 3.356 50 0 HGAAMO CCCCCNC(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(O)c(OC)c1 ZINC000006264167 569036204 /nfs/dbraw/zinc/03/62/04/569036204.db2.gz COYIMEITIZUVMK-LEOXJPRUSA-N 1 1 404.551 3.375 50 0 biogenic HGAAMO CCCCCNC(=O)C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(O)c(OC)c1 ZINC000006264167 569036205 /nfs/dbraw/zinc/03/62/05/569036205.db2.gz COYIMEITIZUVMK-LEOXJPRUSA-N 1 1 404.551 3.375 50 0 biogenic HGAAMO Cc1[nH+]ccn1C[C@H](C)C(=O)NCc1nc2cccnc2n1Cc1ccc(F)cc1 ZINC000035510825 569042978 /nfs/dbraw/zinc/04/29/78/569042978.db2.gz TYMYTWGGERAYHN-HNNXBMFYSA-N 1 1 406.465 3.076 50 0 HGAAMO CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1C[N@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC000239425859 569054356 /nfs/dbraw/zinc/05/43/56/569054356.db2.gz VJUALCDTAIBMKL-IRXDYDNUSA-N 1 1 404.580 3.319 50 0 HGAAMO CC[N@@H+](C)C(C)(C)CNC(=O)c1csc2c1CCN(Cc1c(C)noc1C)C2 ZINC000426386341 569072633 /nfs/dbraw/zinc/07/26/33/569072633.db2.gz NMJGMPWFNYBTAH-UHFFFAOYSA-N 1 1 404.580 3.371 50 0 HGAAMO Cc1noc(C)c1CN1CCc2c(C(=O)NC[C@@H]3CCCC[N@@H+]3C)csc2C1 ZINC000426399005 569072669 /nfs/dbraw/zinc/07/26/69/569072669.db2.gz JSPADKZMLQMGGD-INIZCTEOSA-N 1 1 402.564 3.125 50 0 HGAAMO COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[N@@H+](C)C1CCCCC1 ZINC000006637724 569077133 /nfs/dbraw/zinc/07/71/33/569077133.db2.gz JBVDYQDCDCOANA-UHFFFAOYSA-N 1 1 423.579 3.073 50 0 HGAAMO COCC[N@@H+](Cc1cccc(OC)c1OC)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000036097150 569090236 /nfs/dbraw/zinc/09/02/36/569090236.db2.gz BWRHINNIHRWJLL-GOSISDBHSA-N 1 1 409.910 3.246 50 0 HGAAMO COCC[N@H+](Cc1cccc(OC)c1OC)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000036097150 569090238 /nfs/dbraw/zinc/09/02/38/569090238.db2.gz BWRHINNIHRWJLL-GOSISDBHSA-N 1 1 409.910 3.246 50 0 HGAAMO Cc1ccccc1C[N@@H+](CCN1CCOCC1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036104406 569092198 /nfs/dbraw/zinc/09/21/98/569092198.db2.gz YFNFKMUFPQVAFT-QFIPXVFZSA-N 1 1 418.965 3.223 50 0 HGAAMO COc1cccc(C[N@@H+]2CC=C(C(=O)N3CCN(c4ccccc4F)CC3)CC2)c1 ZINC000064817992 569101205 /nfs/dbraw/zinc/10/12/05/569101205.db2.gz BPXHOMAEHGELIN-UHFFFAOYSA-N 1 1 409.505 3.315 50 0 HGAAMO CCC[N@@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C[C@H](O)COCC(C)C ZINC000036158656 569102360 /nfs/dbraw/zinc/10/23/60/569102360.db2.gz GYISJJKTMFTXMB-HNNXBMFYSA-N 1 1 407.580 3.109 50 0 HGAAMO CCC[N@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C[C@H](O)COCC(C)C ZINC000036158656 569102361 /nfs/dbraw/zinc/10/23/61/569102361.db2.gz GYISJJKTMFTXMB-HNNXBMFYSA-N 1 1 407.580 3.109 50 0 HGAAMO CCOC(=O)C1=C(C[N@@H+]2CC[C@H](c3ccccc3)C2)NC(=O)N[C@H]1c1cccs1 ZINC000036163054 569103064 /nfs/dbraw/zinc/10/30/64/569103064.db2.gz JCTRTFKUPYSGHS-JXFKEZNVSA-N 1 1 411.527 3.409 50 0 HGAAMO CCOC(=O)C1=C(C[N@H+]2CC[C@H](c3ccccc3)C2)NC(=O)N[C@H]1c1cccs1 ZINC000036163054 569103065 /nfs/dbraw/zinc/10/30/65/569103065.db2.gz JCTRTFKUPYSGHS-JXFKEZNVSA-N 1 1 411.527 3.409 50 0 HGAAMO CC1CCN(C(=O)[C@H](C2CCCC2)[NH+]2CCN(C(=O)c3ccc(F)cc3)CC2)CC1 ZINC000036250409 569119297 /nfs/dbraw/zinc/11/92/97/569119297.db2.gz BJEJYONALJGXGH-QFIPXVFZSA-N 1 1 415.553 3.401 50 0 HGAAMO Cc1ccc(C(=O)N(CC2CC2)C[C@H]2C[N@H+](C[C@@H](O)Cc3ccccc3)CCO2)cc1 ZINC000169679319 569126787 /nfs/dbraw/zinc/12/67/87/569126787.db2.gz VWPHGRZTSBAFER-LOSJGSFVSA-N 1 1 422.569 3.152 50 0 HGAAMO Cc1ccc(C(=O)N(CC2CC2)C[C@H]2C[N@@H+](C[C@@H](O)Cc3ccccc3)CCO2)cc1 ZINC000169679319 569126789 /nfs/dbraw/zinc/12/67/89/569126789.db2.gz VWPHGRZTSBAFER-LOSJGSFVSA-N 1 1 422.569 3.152 50 0 HGAAMO Cc1ccc(Nc2cc(C)[nH+]c(N3CCN(S(=O)(=O)c4ccccc4)CC3)n2)cc1 ZINC000064977940 569140375 /nfs/dbraw/zinc/14/03/75/569140375.db2.gz VKJOHCPFEWRKDM-UHFFFAOYSA-N 1 1 423.542 3.348 50 0 HGAAMO Cc1ccc(-c2cc3n(n2)[C@H](NCCC[N@H+]2CCc4ccccc4C2)CNC3=O)cc1 ZINC000169754492 569161185 /nfs/dbraw/zinc/16/11/85/569161185.db2.gz UGKMAIKMZKGZPJ-DEOSSOPVSA-N 1 1 415.541 3.139 50 0 HGAAMO O=C(c1ccc(F)c(F)c1)N1CCN(c2nc(C[NH+]3CCCCC3)cs2)CC1 ZINC000065200147 569193642 /nfs/dbraw/zinc/19/36/42/569193642.db2.gz UVKXDCTUJKQVDV-UHFFFAOYSA-N 1 1 406.502 3.370 50 0 HGAAMO Cc1ccc(-c2cc3c(=O)n(Cc4noc(C[N@H+]5CCCC[C@H]5C)n4)ccn3n2)cc1 ZINC000065235791 569202576 /nfs/dbraw/zinc/20/25/76/569202576.db2.gz ZXADPEADNYKSGM-QGZVFWFLSA-N 1 1 418.501 3.277 50 0 HGAAMO Cc1ccc(-c2cc3c(=O)n(Cc4noc(C[N@@H+]5CCCC[C@H]5C)n4)ccn3n2)cc1 ZINC000065235791 569202577 /nfs/dbraw/zinc/20/25/77/569202577.db2.gz ZXADPEADNYKSGM-QGZVFWFLSA-N 1 1 418.501 3.277 50 0 HGAAMO COc1cccc(C2=CC[N@H+](CC(=O)NC[C@H]3CCN(c4ccccc4)C3)CC2)c1 ZINC000065613529 569238717 /nfs/dbraw/zinc/23/87/17/569238717.db2.gz HNSKJICQOMCNDJ-HXUWFJFHSA-N 1 1 405.542 3.427 50 0 HGAAMO COc1cccc(C2=CC[N@@H+](CC(=O)NC[C@H]3CCN(c4ccccc4)C3)CC2)c1 ZINC000065613529 569238718 /nfs/dbraw/zinc/23/87/18/569238718.db2.gz HNSKJICQOMCNDJ-HXUWFJFHSA-N 1 1 405.542 3.427 50 0 HGAAMO CCc1cc(=O)oc2cc(C)cc(OCC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@@H]34)c12 ZINC000170613411 569246908 /nfs/dbraw/zinc/24/69/08/569246908.db2.gz ZGEOFWSOSHNWQY-OALUTQOASA-N 1 1 412.530 3.423 50 0 HGAAMO Cc1nn(C)c(C)c1CCOC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(F)(F)F ZINC000170619590 569248304 /nfs/dbraw/zinc/24/83/04/569248304.db2.gz CPPBHCCTXOFCRT-OALUTQOASA-N 1 1 409.452 3.433 50 0 HGAAMO C[C@H](NC(=O)C[NH+]1CCC(N2CCn3ccnc3C2)CC1)c1ccc2ccccc2c1 ZINC000089905129 569268213 /nfs/dbraw/zinc/26/82/13/569268213.db2.gz FRCZSYJKKOOQIY-IBGZPJMESA-N 1 1 417.557 3.194 50 0 HGAAMO CCCn1cc(C[N@@H+]2CCCN(C(=O)Nc3cnn(Cc4ccccc4)c3)CC2)cn1 ZINC000089960718 569270147 /nfs/dbraw/zinc/27/01/47/569270147.db2.gz ZVLUHIUXQZOQJP-UHFFFAOYSA-N 1 1 421.549 3.278 50 0 HGAAMO CCCn1cc(C[N@H+]2CCCN(C(=O)Nc3cnn(Cc4ccccc4)c3)CC2)cn1 ZINC000089960718 569270148 /nfs/dbraw/zinc/27/01/48/569270148.db2.gz ZVLUHIUXQZOQJP-UHFFFAOYSA-N 1 1 421.549 3.278 50 0 HGAAMO COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H]2c2ccsc2)c1 ZINC000252452618 569286480 /nfs/dbraw/zinc/28/64/80/569286480.db2.gz RLFXULZHOGAIOB-ACJLOTCBSA-N 1 1 416.499 3.485 50 0 HGAAMO COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H](C)[N@H+]2CCC[C@H]2c2ccsc2)c1 ZINC000252452618 569286482 /nfs/dbraw/zinc/28/64/82/569286482.db2.gz RLFXULZHOGAIOB-ACJLOTCBSA-N 1 1 416.499 3.485 50 0 HGAAMO COc1cc([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)N2CCCCC2)ccc1O ZINC000002156994 569290393 /nfs/dbraw/zinc/29/03/93/569290393.db2.gz WTNJGYFYMAQZAK-CDNPAEQRSA-N 1 1 402.535 3.081 50 0 HGAAMO CCOC(=O)c1[nH]c2cc3c(cc2c1NC(=O)C[N@@H+]1CCCC(C)(C)C1)OCO3 ZINC000002233540 569320060 /nfs/dbraw/zinc/32/00/60/569320060.db2.gz YDWCCWMWHNERIC-UHFFFAOYSA-N 1 1 401.463 3.134 50 0 HGAAMO CCOC(=O)c1[nH]c2cc3c(cc2c1NC(=O)C[N@H+]1CCCC(C)(C)C1)OCO3 ZINC000002233540 569320061 /nfs/dbraw/zinc/32/00/61/569320061.db2.gz YDWCCWMWHNERIC-UHFFFAOYSA-N 1 1 401.463 3.134 50 0 HGAAMO C[C@@H]([C@@H](O)c1ccccc1)[N@@H+](C)C[C@@H]1C(=O)O[C@@H]2CC3=CCC[C@@H](C)[C@@]3(C)[C@@H](O)[C@H]12 ZINC000252695006 569320263 /nfs/dbraw/zinc/32/02/63/569320263.db2.gz SYTZVGPWDLPTPO-KSSLHLJXSA-N 1 1 413.558 3.325 50 0 biogenic HGAAMO CN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)c1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000253412117 569366576 /nfs/dbraw/zinc/36/65/76/569366576.db2.gz PYDXUZVLGDPNIJ-PKOBYXMFSA-N 1 1 410.518 3.184 50 0 biogenic HGAAMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2ccc(-c3noc(C(F)F)n3)cc2)C[C@H](C)O1 ZINC000253417857 569367575 /nfs/dbraw/zinc/36/75/75/569367575.db2.gz QRKUIVMOYPLFHK-BETUJISGSA-N 1 1 408.449 3.292 50 0 HGAAMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2ccc(-c3noc(C(F)F)n3)cc2)C[C@H](C)O1 ZINC000253417857 569367576 /nfs/dbraw/zinc/36/75/76/569367576.db2.gz QRKUIVMOYPLFHK-BETUJISGSA-N 1 1 408.449 3.292 50 0 HGAAMO COCCN(CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000079024591 569424680 /nfs/dbraw/zinc/42/46/80/569424680.db2.gz VBXPKKYANUBTPK-ICSRJNTNSA-N 1 1 419.566 3.039 50 0 HGAAMO C[C@@H]([NH2+]Cc1cnn([C@]2(C)CCS(=O)(=O)C2)c1)c1ccccc1Br ZINC000079108804 569427908 /nfs/dbraw/zinc/42/79/08/569427908.db2.gz HYNKILQJRBXKIG-CXAGYDPISA-N 1 1 412.353 3.030 50 0 HGAAMO CCOC(=O)C1=C(C[NH+]2CCC(C)CC2)NC(=O)N[C@@H]1c1ccc(SC)cc1 ZINC000067286881 571065245 /nfs/dbraw/zinc/06/52/45/571065245.db2.gz XZYPSCAQJDPRRG-LJQANCHMSA-N 1 1 403.548 3.312 50 0 HGAAMO CCOC(=O)C1C(C[NH+]2CCC(C)CC2)=NC(=O)N[C@@H]1c1ccc(SC)cc1 ZINC000067286881 571065248 /nfs/dbraw/zinc/06/52/48/571065248.db2.gz XZYPSCAQJDPRRG-LJQANCHMSA-N 1 1 403.548 3.312 50 0 HGAAMO O=C(c1cccc2ccccc21)N1CC[NH+](C[C@H](O)COCc2ccccc2)CC1 ZINC000040062589 571147632 /nfs/dbraw/zinc/14/76/32/571147632.db2.gz VINWIEQDORDJLR-QFIPXVFZSA-N 1 1 404.510 3.175 50 0 HGAAMO Cc1ccc2ncc(C(=O)NCc3ccc(C[N@@H+]4CCC[C@@H](C)C4)cc3)c(=O)n2c1 ZINC000040108832 571168373 /nfs/dbraw/zinc/16/83/73/571168373.db2.gz NIXQNUAGQAAUDL-QGZVFWFLSA-N 1 1 404.514 3.165 50 0 HGAAMO CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)CN1C(=O)COc2ccccc21 ZINC000040142733 571193610 /nfs/dbraw/zinc/19/36/10/571193610.db2.gz JQEZXAOGLWLDDD-JOCHJYFZSA-N 1 1 421.541 3.001 50 0 HGAAMO C[C@H]1C[C@H](C)C[NH+](Cc2csc(NC(=O)CNC(=O)Cc3cccc(F)c3)n2)C1 ZINC000040145276 571195553 /nfs/dbraw/zinc/19/55/53/571195553.db2.gz HCUCCDYUPLVMJT-GJZGRUSLSA-N 1 1 418.538 3.058 50 0 HGAAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cc4c(cc2Br)OCO4)N3)C1 ZINC000009270347 571244380 /nfs/dbraw/zinc/24/43/80/571244380.db2.gz DZDSTWKDEIBPOD-HNNXBMFYSA-N 1 1 422.304 3.081 50 0 HGAAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cc4c(cc2Br)OCO4)N3)C1 ZINC000009270347 571244381 /nfs/dbraw/zinc/24/43/81/571244381.db2.gz DZDSTWKDEIBPOD-HNNXBMFYSA-N 1 1 422.304 3.081 50 0 HGAAMO Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@H+]1[C@@]21C(=O)Nc2ccccc21 ZINC000009281898 571244741 /nfs/dbraw/zinc/24/47/41/571244741.db2.gz VOPLWFGSMDFFHN-QYUDBREXSA-N 1 1 421.884 3.080 50 0 HGAAMO Cc1c(C(=O)NCc2ccccc2)nnn1-c1cccc2c1CC[N@@H+](CC1CC1)C2 ZINC000069902465 571249000 /nfs/dbraw/zinc/24/90/00/571249000.db2.gz XTNQTCCFGCPJEG-UHFFFAOYSA-N 1 1 401.514 3.274 50 0 HGAAMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)Nc1cccc(N2CCNC2=O)c1 ZINC000070011270 571253840 /nfs/dbraw/zinc/25/38/40/571253840.db2.gz MDCSPEDBJXNEBY-LJQANCHMSA-N 1 1 407.518 3.250 50 0 HGAAMO COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(C[N@@H+]3CCC[C@H](C)C3)C2=O)cc1 ZINC000009548355 571267944 /nfs/dbraw/zinc/26/79/44/571267944.db2.gz DTYUTCDKOWPFQW-KRWDZBQOSA-N 1 1 423.513 3.189 50 0 HGAAMO COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(C[N@H+]3CCC[C@H](C)C3)C2=O)cc1 ZINC000009548355 571267945 /nfs/dbraw/zinc/26/79/45/571267945.db2.gz DTYUTCDKOWPFQW-KRWDZBQOSA-N 1 1 423.513 3.189 50 0 HGAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)c2ccc(NC(=O)C3=CSCCO3)cc2)C1 ZINC000009738125 571283137 /nfs/dbraw/zinc/28/31/37/571283137.db2.gz JYVRHMCWNCYLNC-INIZCTEOSA-N 1 1 403.548 3.082 50 0 HGAAMO COc1ccccc1OC[C@H](O)C[NH+]1CCN(c2cc(C)c3ccccc3n2)CC1 ZINC000071280227 571290563 /nfs/dbraw/zinc/29/05/63/571290563.db2.gz DOZWXDIISNJMNI-LJQANCHMSA-N 1 1 407.514 3.114 50 0 HGAAMO COc1ccc2[nH]c3c(ncnc3N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c2c1 ZINC000002289557 132251603 /nfs/dbraw/zinc/25/16/03/132251603.db2.gz BUJMARNUHWUJTD-UHFFFAOYSA-N 1 1 417.469 3.171 50 0 HGAAMO COc1cc(-c2n[nH]cc2C[NH+]2CCN(c3cccc(C)n3)CC2)cc(OC)c1OC ZINC000012306453 132358268 /nfs/dbraw/zinc/35/82/68/132358268.db2.gz CFUYFMUJTFNQDM-UHFFFAOYSA-N 1 1 423.517 3.128 50 0 HGAAMO CCOC(=O)c1ccc(S(=O)(=O)NC[C@H](c2ccc(CC)cc2)[NH+](C)C)cc1 ZINC000040161406 521528656 /nfs/dbraw/zinc/52/86/56/521528656.db2.gz ORAZKKZKTFXFLA-HXUWFJFHSA-N 1 1 404.532 3.007 50 0 HGAAMO CCN1CCN(C[C@@H](O)COc2cccc(C[NH2+]CCC3=CCCCC3)c2)CC1 ZINC000020601513 521684825 /nfs/dbraw/zinc/68/48/25/521684825.db2.gz QTEMVENENYINBO-HSZRJFAPSA-N 1 1 401.595 3.044 50 0 HGAAMO CN(C(=O)c1csc(NC(=O)c2ccc(Cl)c(Cl)c2)n1)[C@@H]1CC[N@@H+](C)C1 ZINC000040355534 523962688 /nfs/dbraw/zinc/96/26/88/523962688.db2.gz VGIAORWGMIEYHZ-LLVKDONJSA-N 1 1 413.330 3.478 50 0 HGAAMO Cc1ccc(C[N@H+]2CCCN(C(=O)CCCn3c4ccccc4oc3=O)CC2)cc1 ZINC000045767086 524444996 /nfs/dbraw/zinc/44/49/96/524444996.db2.gz MADIQBJLEJUHFL-UHFFFAOYSA-N 1 1 407.514 3.418 50 0 HGAAMO Cc1ccccc1C[NH+]1CCN(C(=O)COC(=O)c2ccc3ncsc3c2)CC1 ZINC000032860226 525142922 /nfs/dbraw/zinc/14/29/22/525142922.db2.gz BJSFXEXLOLJXHY-UHFFFAOYSA-N 1 1 409.511 3.106 50 0 HGAAMO COc1ccc2c(C)c(CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)c(=O)oc2c1 ZINC000020591863 525497266 /nfs/dbraw/zinc/49/72/66/525497266.db2.gz AEYAOKHMLWFQOU-UHFFFAOYSA-N 1 1 420.509 3.387 50 0 HGAAMO Cc1c(C)n(CC[NH+]2CCOCC2)c2ncn3nc(-c4ccccc4Cl)nc3c12 ZINC000020572938 525684229 /nfs/dbraw/zinc/68/42/29/525684229.db2.gz ZWOFEVFANLHEJZ-UHFFFAOYSA-N 1 1 410.909 3.348 50 0 HGAAMO COc1cccc(CNC(=O)C2CC[NH+](Cc3nc(-c4ccccc4)no3)CC2)c1 ZINC000040930037 525963387 /nfs/dbraw/zinc/96/33/87/525963387.db2.gz BEUXGYOYZRDZQL-UHFFFAOYSA-N 1 1 406.486 3.274 50 0 HGAAMO c1ccc(CN2CCc3c(sc4ncnc(NCCC[NH+]5CCOCC5)c34)C2)cc1 ZINC000020548059 526469750 /nfs/dbraw/zinc/46/97/50/526469750.db2.gz CLXSXLPTSYKWEA-UHFFFAOYSA-N 1 1 423.586 3.384 50 0 HGAAMO O=C(CC[NH+]1CCN(C(=O)c2cccc(OC(F)F)c2)CC1)Nc1ccccc1F ZINC000032909563 526488574 /nfs/dbraw/zinc/48/85/74/526488574.db2.gz SIZFHFCADMFWNM-UHFFFAOYSA-N 1 1 421.419 3.214 50 0 HGAAMO O=C(NCc1ccccn1)c1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000034684069 557387001 /nfs/dbraw/zinc/38/70/01/557387001.db2.gz MTGMQPMAZKMUPJ-UHFFFAOYSA-N 1 1 400.526 3.329 50 0 HGAAMO CC(=O)N1C[C@@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@@H](c2cccc(C)c2)C1 ZINC000034709806 557390084 /nfs/dbraw/zinc/39/00/84/557390084.db2.gz WKERQUNGZIHBDA-RPBOFIJWSA-N 1 1 419.569 3.291 50 0 HGAAMO CC[NH+]1CCN(C(=O)c2cn3c(n2)CC[C@H](c2cccc(C(F)(F)F)c2)C3)CC1 ZINC000034898692 557480558 /nfs/dbraw/zinc/48/05/58/557480558.db2.gz XLVSUNACRGNKKY-INIZCTEOSA-N 1 1 406.452 3.410 50 0 HGAAMO CCOc1ccc(NC(=O)COc2ccc(C(=S)N3CC[NH+](C)CC3)cc2)cc1 ZINC000004680781 557580645 /nfs/dbraw/zinc/58/06/45/557580645.db2.gz YLMUKOIWUVZXLX-UHFFFAOYSA-N 1 1 413.543 3.026 50 0 HGAAMO COc1ccccc1N1CCN([C@H]2CCC[N@@H+](Cc3ccc4c(c3)CCO4)C2)CC1 ZINC000022912945 558258549 /nfs/dbraw/zinc/25/85/49/558258549.db2.gz BUTOPUCPVGTAQO-QFIPXVFZSA-N 1 1 407.558 3.417 50 0 HGAAMO COc1ccccc1N1CC[NH+]([C@H]2CCCN(Cc3ccc4c(c3)CCO4)C2)CC1 ZINC000022912945 558258551 /nfs/dbraw/zinc/25/85/51/558258551.db2.gz BUTOPUCPVGTAQO-QFIPXVFZSA-N 1 1 407.558 3.417 50 0 HGAAMO CCOc1ccc(C[N@@H+]2CCc3nnc([C@@H](C)NC(=O)c4ccoc4C)n3CC2)cc1 ZINC000019744607 558265176 /nfs/dbraw/zinc/26/51/76/558265176.db2.gz ZNHDCOVQXPGFBY-MRXNPFEDSA-N 1 1 423.517 3.128 50 0 HGAAMO CN(C)C(=O)c1nc2ccc(Cl)cn2c1C[N@H+](C)Cc1ccc2nsnc2c1 ZINC000019810748 558286861 /nfs/dbraw/zinc/28/68/61/558286861.db2.gz GPTCISDKVSTEIC-UHFFFAOYSA-N 1 1 414.922 3.326 50 0 HGAAMO CN(C)C(=O)c1nc2ccc(Cl)cn2c1C[N@@H+](C)Cc1ccc2nsnc2c1 ZINC000019810748 558286864 /nfs/dbraw/zinc/28/68/64/558286864.db2.gz GPTCISDKVSTEIC-UHFFFAOYSA-N 1 1 414.922 3.326 50 0 HGAAMO COc1ccc(C[N@H+]2CCC[C@@](CO)(Cc3ccc(F)cc3)C2)cc1Cn1cncn1 ZINC000011843328 558288170 /nfs/dbraw/zinc/28/81/70/558288170.db2.gz IPMGMRFWCUYKHZ-XMMPIXPASA-N 1 1 424.520 3.291 50 0 HGAAMO CC1(C)[C@@H]2C[C@H]1C(C[N@@H+]1CCc3nnc(CNC(=O)c4ccccc4)n3CC1)=CC2 ZINC000011909331 558296414 /nfs/dbraw/zinc/29/64/14/558296414.db2.gz CDEORXGWODWZNO-PMACEKPBSA-N 1 1 405.546 3.059 50 0 HGAAMO COc1ccc(CNCc2ccccc2F)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000011934019 558298343 /nfs/dbraw/zinc/29/83/43/558298343.db2.gz SFYDCLJQDWDMSW-HXUWFJFHSA-N 1 1 402.510 3.350 50 0 HGAAMO CCCCc1nc(C[N@@H+]2CCC[C@H](CNC(=O)c3cc(OC)cc(OC)c3)C2)c[nH]1 ZINC000011936747 558300858 /nfs/dbraw/zinc/30/08/58/558300858.db2.gz ZEYWKYKRXYZCOH-QGZVFWFLSA-N 1 1 414.550 3.412 50 0 HGAAMO CCCCc1nc(C[N@H+]2CCC[C@H](CNC(=O)c3cc(OC)cc(OC)c3)C2)c[nH]1 ZINC000011936747 558300862 /nfs/dbraw/zinc/30/08/62/558300862.db2.gz ZEYWKYKRXYZCOH-QGZVFWFLSA-N 1 1 414.550 3.412 50 0 HGAAMO O=C(CCN1CCCO1)N(Cc1cccnc1)C[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000011938075 558301601 /nfs/dbraw/zinc/30/16/01/558301601.db2.gz DJPPJKGUZDXOPT-QFIPXVFZSA-N 1 1 414.594 3.482 50 0 HGAAMO CN(C[C@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)c1ccnn1C ZINC000011958500 558303846 /nfs/dbraw/zinc/30/38/46/558303846.db2.gz OHVONRIIJJXLOI-QGZVFWFLSA-N 1 1 408.468 3.466 50 0 HGAAMO CN(C[C@@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)c1cc[n+]([O-])cc1 ZINC000012005154 558309005 /nfs/dbraw/zinc/30/90/05/558309005.db2.gz DXLSWKOPJDJFKF-SFHVURJKSA-N 1 1 421.463 3.366 50 0 HGAAMO COC(=O)c1ccc(-c2noc(C[NH+]3CCC([C@@H](O)Cc4ccccc4)CC3)n2)cc1 ZINC000012025767 558310225 /nfs/dbraw/zinc/31/02/25/558310225.db2.gz PWIPSHYQWDBHPE-NRFANRHFSA-N 1 1 421.497 3.339 50 0 HGAAMO COc1ccccc1N1CC[NH+](C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000020149098 558340145 /nfs/dbraw/zinc/34/01/45/558340145.db2.gz NHQBVHFUFXVOLW-KRWDZBQOSA-N 1 1 421.335 3.020 50 0 HGAAMO CN(CC1([NH+]2CCOCC2)CCCCC1)C(=O)c1cn(CCC2CCCCC2)nn1 ZINC000020453622 558367654 /nfs/dbraw/zinc/36/76/54/558367654.db2.gz ANJFZOBMMDNLTL-UHFFFAOYSA-N 1 1 417.598 3.356 50 0 HGAAMO CC(C)Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)CN(C)Cc3cccnc3)C2)cc1 ZINC000012298763 558368699 /nfs/dbraw/zinc/36/86/99/558368699.db2.gz QYLDHOQFEWOSEW-DEOSSOPVSA-N 1 1 408.590 3.493 50 0 HGAAMO O=C(c1cnc2ccccn2c1=O)N1CC[C@@]2(C1)CCC[N@@H+](CC1CCCCC1)C2 ZINC000012302719 558372320 /nfs/dbraw/zinc/37/23/20/558372320.db2.gz HIXLVIPWMXJFGU-DEOSSOPVSA-N 1 1 408.546 3.203 50 0 HGAAMO CCOc1ccccc1C[N@@H+]1CCN(Cc2cccn2-c2cccnc2)C[C@@H]1CCO ZINC000020534254 558385475 /nfs/dbraw/zinc/38/54/75/558385475.db2.gz FJCBEZMJVXLOSR-QHCPKHFHSA-N 1 1 420.557 3.340 50 0 HGAAMO CCOc1ccccc1C[N@H+]1CCN(Cc2cccn2-c2cccnc2)C[C@@H]1CCO ZINC000020534254 558385479 /nfs/dbraw/zinc/38/54/79/558385479.db2.gz FJCBEZMJVXLOSR-QHCPKHFHSA-N 1 1 420.557 3.340 50 0 HGAAMO COCc1cc(C[N@@H+]2CCN(Cc3ccc(F)c(F)c3)[C@@H](CCO)C2)ccc1OC ZINC000020534171 558385559 /nfs/dbraw/zinc/38/55/59/558385559.db2.gz JYEIHQWLTSYNAX-FQEVSTJZSA-N 1 1 420.500 3.189 50 0 HGAAMO COCc1cc(C[N@H+]2CCN(Cc3ccc(F)c(F)c3)[C@@H](CCO)C2)ccc1OC ZINC000020534171 558385561 /nfs/dbraw/zinc/38/55/61/558385561.db2.gz JYEIHQWLTSYNAX-FQEVSTJZSA-N 1 1 420.500 3.189 50 0 HGAAMO CN(c1ccccc1)c1ccc(CN2CCN(C3CC[NH+](C)CC3)[C@@H](CCO)C2)cc1 ZINC000020535356 558386036 /nfs/dbraw/zinc/38/60/36/558386036.db2.gz NDIASWKNTXRLCE-SANMLTNESA-N 1 1 422.617 3.417 50 0 HGAAMO CC[NH+]1CCN(C(=O)c2ccccc2NC(=O)Cn2ccc3ccc(F)cc32)CC1 ZINC000020726208 558405026 /nfs/dbraw/zinc/40/50/26/558405026.db2.gz UGZZISRKRFHYKN-UHFFFAOYSA-N 1 1 408.477 3.197 50 0 HGAAMO Cc1cccc(C[N@@H+]2CCc3nnc([C@H](C)NC(=O)CCc4ccccc4)n3CC2)c1 ZINC000020780735 558412872 /nfs/dbraw/zinc/41/28/72/558412872.db2.gz MTTDZHVUJKFOJC-FQEVSTJZSA-N 1 1 417.557 3.455 50 0 HGAAMO CC(C)Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)CN(C)Cc3ccncc3)C2)cc1 ZINC000012449309 558415911 /nfs/dbraw/zinc/41/59/11/558415911.db2.gz PEKRERLKFYTKKO-DEOSSOPVSA-N 1 1 408.590 3.493 50 0 HGAAMO O[C@H](COc1ccccc1C[NH2+]CCCc1ccccc1)CN1CCSCC1 ZINC000012575432 558430681 /nfs/dbraw/zinc/43/06/81/558430681.db2.gz SGIXGVAAFZWPDJ-QFIPXVFZSA-N 1 1 400.588 3.198 50 0 HGAAMO COc1ccc(CNC(=O)CC[C@H]2CCC[N@@H+](CCCn3cccn3)C2)c(OC)c1 ZINC000012589694 558435357 /nfs/dbraw/zinc/43/53/57/558435357.db2.gz KIJRJTCGSKMUFB-LJQANCHMSA-N 1 1 414.550 3.099 50 0 HGAAMO COc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3ccc(N4CCNC4=O)cc3)C2)cc1F ZINC000012703508 558448719 /nfs/dbraw/zinc/44/87/19/558448719.db2.gz OWUGTWDWTSEWLJ-SFHVURJKSA-N 1 1 411.477 3.459 50 0 HGAAMO COc1ccc(CC[N@@H+](C)[C@@H]2CCCN(C(=O)Cc3cccs3)C2)cc1OC ZINC000012709117 558451314 /nfs/dbraw/zinc/45/13/14/558451314.db2.gz HPDYLRGGIBCXNU-GOSISDBHSA-N 1 1 402.560 3.473 50 0 HGAAMO O=C(NCc1ccco1)[C@@H]1CCC[N@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000012715959 558455215 /nfs/dbraw/zinc/45/52/15/558455215.db2.gz UFVCLZLCMWWMQO-QGZVFWFLSA-N 1 1 408.502 3.418 50 0 HGAAMO Cc1nc(C(=O)N2CC[NH+](Cc3ccccc3C)CC2)nn1-c1ccc(Cl)cc1 ZINC000021925612 558455703 /nfs/dbraw/zinc/45/57/03/558455703.db2.gz YNEAXRSZUILJQT-UHFFFAOYSA-N 1 1 409.921 3.496 50 0 HGAAMO C[C@@H](NC(=O)C[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1 ZINC000012971273 558488843 /nfs/dbraw/zinc/48/88/43/558488843.db2.gz NVFDLYYOWPPCIA-MRXNPFEDSA-N 1 1 406.452 3.490 50 0 HGAAMO C[C@@H](NC(=O)C[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1 ZINC000012971273 558488846 /nfs/dbraw/zinc/48/88/46/558488846.db2.gz NVFDLYYOWPPCIA-MRXNPFEDSA-N 1 1 406.452 3.490 50 0 HGAAMO COc1ccc(C[NH+]2CCN(Cn3ncn(-c4ccccc4C)c3=S)CC2)cc1 ZINC000022771127 558508661 /nfs/dbraw/zinc/50/86/61/558508661.db2.gz DNTSZEBFBDWENP-UHFFFAOYSA-N 1 1 409.559 3.496 50 0 HGAAMO c1ccc(-c2noc(CCCN3CC[NH+](Cc4ccc5c(c4)CCO5)CC3)n2)cc1 ZINC000022807032 558513754 /nfs/dbraw/zinc/51/37/54/558513754.db2.gz WVQJFHSPPZMSSY-UHFFFAOYSA-N 1 1 404.514 3.422 50 0 HGAAMO CC(C)(C)NC(=O)C[N@@H+]1CCCN(CC(=O)Nc2ccc(-c3ccccc3)cc2)CC1 ZINC000022811730 558514327 /nfs/dbraw/zinc/51/43/27/558514327.db2.gz RIDIQYYZDCYRCC-UHFFFAOYSA-N 1 1 422.573 3.215 50 0 HGAAMO CC(C)(C)NC(=O)C[N@H+]1CCCN(CC(=O)Nc2ccc(-c3ccccc3)cc2)CC1 ZINC000022811730 558514331 /nfs/dbraw/zinc/51/43/31/558514331.db2.gz RIDIQYYZDCYRCC-UHFFFAOYSA-N 1 1 422.573 3.215 50 0 HGAAMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1OC[C@@H]1CCCO1 ZINC000022872172 558518027 /nfs/dbraw/zinc/51/80/27/558518027.db2.gz BHTJXZJMLFCOBM-NRFANRHFSA-N 1 1 410.514 3.007 50 0 HGAAMO COc1ccc(CN2CC[N@@H+](CCc3ccccc3)[C@@H](CCO)C2)c(Cl)c1OC ZINC000022929182 558523446 /nfs/dbraw/zinc/52/34/46/558523446.db2.gz HMSXLMHQGGIWNW-FQEVSTJZSA-N 1 1 418.965 3.469 50 0 HGAAMO Cc1ccc([C@H](CNC(=O)c2cc(-c3cccs3)on2)N2CC[NH+](C)CC2)o1 ZINC000022938482 558527493 /nfs/dbraw/zinc/52/74/93/558527493.db2.gz VVQSMIANKNAHGB-INIZCTEOSA-N 1 1 400.504 3.023 50 0 HGAAMO CC(=O)c1ccc(N2CC[NH+](C[C@H](O)CO[C@H]3CCCc4ccccc43)CC2)cc1 ZINC000023409380 558557511 /nfs/dbraw/zinc/55/75/11/558557511.db2.gz OGWTUTVQGZESEI-ZCYQVOJMSA-N 1 1 408.542 3.466 50 0 HGAAMO COc1cccc(CN(CCC[NH+]2CCOCC2)C(=O)Nc2ccccc2)c1OC ZINC000013728311 558585390 /nfs/dbraw/zinc/58/53/90/558585390.db2.gz GRUOIINICKGGJW-UHFFFAOYSA-N 1 1 413.518 3.460 50 0 HGAAMO COc1ccc(-c2cc3ccc(OCC[NH+]4CCN(C)CC4)cc3oc2=O)cc1OC ZINC000022933416 558616091 /nfs/dbraw/zinc/61/60/91/558616091.db2.gz ZEFURBLHJBNZJS-UHFFFAOYSA-N 1 1 424.497 3.103 50 0 HGAAMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CSc2nnc(NC3CC3)s2)CC1 ZINC000025317084 558637663 /nfs/dbraw/zinc/63/76/63/558637663.db2.gz STVAAJYMJSNVQK-CQSZACIVSA-N 1 1 403.577 3.110 50 0 HGAAMO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc1 ZINC000025415602 558640387 /nfs/dbraw/zinc/64/03/87/558640387.db2.gz KJRDZHYHOLSKGX-KRWDZBQOSA-N 1 1 421.419 3.004 50 0 HGAAMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc1 ZINC000025415602 558640388 /nfs/dbraw/zinc/64/03/88/558640388.db2.gz KJRDZHYHOLSKGX-KRWDZBQOSA-N 1 1 421.419 3.004 50 0 HGAAMO CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000014251611 558650325 /nfs/dbraw/zinc/65/03/25/558650325.db2.gz GLSHLLXTYQLMAN-FQEVSTJZSA-N 1 1 412.490 3.153 50 0 HGAAMO O=C1NC2(CCCC2)C(=O)N1CN1CC[NH+](Cc2ccc(-c3ccccc3)s2)CC1 ZINC000026635539 558663734 /nfs/dbraw/zinc/66/37/34/558663734.db2.gz PNFQMVQQVMHKHR-UHFFFAOYSA-N 1 1 424.570 3.355 50 0 HGAAMO CN(C(=O)CC1=CSC2=NCCCN12)[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000014948998 558680499 /nfs/dbraw/zinc/68/04/99/558680499.db2.gz MQYSHPASJSINML-LJQANCHMSA-N 1 1 410.587 3.117 50 0 HGAAMO CN(C(=O)CC1=CSC2=NCCCN12)[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000014949001 558680514 /nfs/dbraw/zinc/68/05/14/558680514.db2.gz MQYSHPASJSINML-IBGZPJMESA-N 1 1 410.587 3.117 50 0 HGAAMO CC(C)C(=O)N[C@@H](C)c1nnc2n1CC[N@H+](Cc1ccccc1-c1ccco1)CC2 ZINC000015001195 558697895 /nfs/dbraw/zinc/69/78/95/558697895.db2.gz UMUCXALRBKTDNB-KRWDZBQOSA-N 1 1 407.518 3.430 50 0 HGAAMO CCOC(=O)[C@H](c1ccc(Cl)cc1)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000028693626 558703629 /nfs/dbraw/zinc/70/36/29/558703629.db2.gz HSGTZIBYSYCMMA-SFTDATJTSA-N 1 1 402.922 3.295 50 0 HGAAMO O=C(NCC[NH+]1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cc2cc(F)ccc2[nH]1 ZINC000028879001 558706479 /nfs/dbraw/zinc/70/64/79/558706479.db2.gz LHABRXRGDLASIH-UHFFFAOYSA-N 1 1 421.476 3.017 50 0 in-vitro HGAAMO Cc1cc(C(=O)N2CCC[C@H]([NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)n[nH]1 ZINC000015064962 558707875 /nfs/dbraw/zinc/70/78/75/558707875.db2.gz YNVNVXZNRZSITG-SFHVURJKSA-N 1 1 421.467 3.164 50 0 HGAAMO COc1cc(CNCc2cc(C(C)C)no2)ccc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000015070563 558712498 /nfs/dbraw/zinc/71/24/98/558712498.db2.gz CXKCRSYXFAKIBL-SFHVURJKSA-N 1 1 405.539 3.176 50 0 HGAAMO COc1ccc(CC(=O)NC[C@@H]2CCC[N@H+](Cc3nc4cc(F)ccc4[nH]3)C2)cc1 ZINC000015078878 558717813 /nfs/dbraw/zinc/71/78/13/558717813.db2.gz BDRKZNPSEIMHNM-KRWDZBQOSA-N 1 1 410.493 3.282 50 0 HGAAMO COc1ccc(CC(=O)NC[C@@H]2CCC[N@@H+](Cc3nc4cc(F)ccc4[nH]3)C2)cc1 ZINC000015078878 558717816 /nfs/dbraw/zinc/71/78/16/558717816.db2.gz BDRKZNPSEIMHNM-KRWDZBQOSA-N 1 1 410.493 3.282 50 0 HGAAMO O=C(C[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1)NCc1ccc(F)cc1 ZINC000015523960 558742334 /nfs/dbraw/zinc/74/23/34/558742334.db2.gz GXHFIPCHRMZCOS-UHFFFAOYSA-N 1 1 410.415 3.068 50 0 HGAAMO O=C(C[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1)NCc1ccc(F)cc1 ZINC000015523960 558742336 /nfs/dbraw/zinc/74/23/36/558742336.db2.gz GXHFIPCHRMZCOS-UHFFFAOYSA-N 1 1 410.415 3.068 50 0 HGAAMO O=C(Nc1ccc2c(c1)OCO2)C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000030955224 558746916 /nfs/dbraw/zinc/74/69/16/558746916.db2.gz KTZAYUJQSNIJKK-UHFFFAOYSA-N 1 1 406.442 3.316 50 0 HGAAMO CCc1ccc([C@@H](C)NC(=O)[C@@H](C)N2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000072305620 558762063 /nfs/dbraw/zinc/76/20/63/558762063.db2.gz FZVQBVBSEZYQMJ-WOJBJXKFSA-N 1 1 401.595 3.392 50 0 HGAAMO Cc1c(Cl)cccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@H+]1[C@]21C(=O)Nc2ccccc21 ZINC000016000138 558765984 /nfs/dbraw/zinc/76/59/84/558765984.db2.gz QYKFPSKFNDXJHN-YWNPBTLJSA-N 1 1 421.884 3.080 50 0 HGAAMO CCOc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)cc1 ZINC000072308192 558769194 /nfs/dbraw/zinc/76/91/94/558769194.db2.gz HPRPVFJLAFAMSV-ROUUACIJSA-N 1 1 410.518 3.466 50 0 HGAAMO CCOc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)cc1 ZINC000072308192 558769195 /nfs/dbraw/zinc/76/91/95/558769195.db2.gz HPRPVFJLAFAMSV-ROUUACIJSA-N 1 1 410.518 3.466 50 0 HGAAMO Cc1ccc(F)cc1S(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccc(OC(C)C)cc2)C1 ZINC000034196557 558773179 /nfs/dbraw/zinc/77/31/79/558773179.db2.gz PTJKAHCUUOORPC-LJQANCHMSA-N 1 1 406.523 3.474 50 0 in-vitro HGAAMO Cc1ccc(F)cc1S(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccc(OC(C)C)cc2)C1 ZINC000034196557 558773182 /nfs/dbraw/zinc/77/31/82/558773182.db2.gz PTJKAHCUUOORPC-LJQANCHMSA-N 1 1 406.523 3.474 50 0 in-vitro HGAAMO COc1ccc2c(c1)O[C@@H](C)C[N@H+](CCC(=O)N[C@@H](c1cccnc1)C(F)(F)F)C2 ZINC000039360113 558820454 /nfs/dbraw/zinc/82/04/54/558820454.db2.gz SWSFBZLAUUIQPF-XOBRGWDASA-N 1 1 423.435 3.483 50 0 HGAAMO CC[NH+]1CCN(C2CCN(C(=O)COc3ccc(-c4ccccc4)cc3)CC2)CC1 ZINC000019885504 558852534 /nfs/dbraw/zinc/85/25/34/558852534.db2.gz BODMOCLWYAYDCG-UHFFFAOYSA-N 1 1 407.558 3.361 50 0 in-vitro HGAAMO Cc1ccc(Nc2nc(N)nc(CN3CC[NH+](C/C=C\c4ccccc4)CC3)n2)cc1 ZINC000096868696 558862798 /nfs/dbraw/zinc/86/27/98/558862798.db2.gz AVNQQNLYJUQWBH-YVMONPNESA-N 1 1 415.545 3.337 50 0 HGAAMO CO[C@H]1[C@H](NC(=O)c2ccco2)c2ccccc2C12CC[NH+](Cc1cnc[nH]1)CC2 ZINC000055073963 558871515 /nfs/dbraw/zinc/87/15/15/558871515.db2.gz WXCBDDYWEHOCCP-RTWAWAEBSA-N 1 1 406.486 3.036 50 0 HGAAMO Cc1csc(SCC(=O)N2CCC[C@H]([NH+]3CCN(c4ccccc4)CC3)C2)n1 ZINC000055061190 558871541 /nfs/dbraw/zinc/87/15/41/558871541.db2.gz MXSRJWUAAAAJOE-IBGZPJMESA-N 1 1 416.616 3.357 50 0 HGAAMO CC[NH+]1CCN(C(=O)c2cnn3c2nc(-c2ccc(OC)cc2)cc3C(F)F)CC1 ZINC000055260883 558877793 /nfs/dbraw/zinc/87/77/93/558877793.db2.gz ZDAPDSRLQAIRGY-UHFFFAOYSA-N 1 1 415.444 3.120 50 0 HGAAMO CC[NH+]1CCN(C(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccccc2C)CC1 ZINC000055364342 558880168 /nfs/dbraw/zinc/88/01/68/558880168.db2.gz UQGISXYBQAYRKS-UHFFFAOYSA-N 1 1 417.513 3.211 50 0 HGAAMO O=C(CSc1ccncc1)N1CCC[C@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000055386651 558880825 /nfs/dbraw/zinc/88/08/25/558880825.db2.gz YTIYVRWVRMMQKL-FQEVSTJZSA-N 1 1 414.550 3.126 50 0 HGAAMO CCOC(=O)N1CCN(C(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)CC1 ZINC000019530611 558911461 /nfs/dbraw/zinc/91/14/61/558911461.db2.gz KFKSNAFAOIGHOI-UHFFFAOYSA-N 1 1 407.514 3.159 50 0 HGAAMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3CCC(Nc4cccnc4)CC3)cc2)C[C@H](C)O1 ZINC000058356014 558921254 /nfs/dbraw/zinc/92/12/54/558921254.db2.gz XJCAOVSAGYQIMO-KDURUIRLSA-N 1 1 408.546 3.408 50 0 HGAAMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3CCC(Nc4cccnc4)CC3)cc2)C[C@H](C)O1 ZINC000058356014 558921255 /nfs/dbraw/zinc/92/12/55/558921255.db2.gz XJCAOVSAGYQIMO-KDURUIRLSA-N 1 1 408.546 3.408 50 0 HGAAMO CCCc1cc(C(=O)N2CCC[C@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2)no1 ZINC000061970962 558947652 /nfs/dbraw/zinc/94/76/52/558947652.db2.gz ZKVXCASLPCDDHJ-IBGZPJMESA-N 1 1 400.498 3.193 50 0 HGAAMO CCNc1cc(N2CCN(C(=O)Nc3ccc(OC)c(Cl)c3)CC2)[nH+]c(C)n1 ZINC000067612790 558989010 /nfs/dbraw/zinc/98/90/10/558989010.db2.gz BLGYJZQVEZQQRJ-UHFFFAOYSA-N 1 1 404.902 3.233 50 0 HGAAMO C[C@H](C(=O)N1CCc2ccccc21)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000096833078 558993644 /nfs/dbraw/zinc/99/36/44/558993644.db2.gz OCCLHIUWMNENCP-GOSISDBHSA-N 1 1 413.949 3.314 50 0 HGAAMO Cc1[nH+]ccn1CCC(=O)N1CCC2(CN(C[C@@H](C)c3ccccc3)C(=O)O2)CC1 ZINC000077516655 559007843 /nfs/dbraw/zinc/00/78/43/559007843.db2.gz SHPPTWRETCVUAT-GOSISDBHSA-N 1 1 410.518 3.199 50 0 HGAAMO Cc1[nH+]ccn1CCC(=O)N1CCC2(CN(C[C@H](C)c3ccccc3)C(=O)O2)CC1 ZINC000077516659 559007867 /nfs/dbraw/zinc/00/78/67/559007867.db2.gz SHPPTWRETCVUAT-SFHVURJKSA-N 1 1 410.518 3.199 50 0 HGAAMO C/C=C/c1ccc(OC[C@H](O)C[NH+]2CCN(c3ccccc3F)CC2)c(OC)c1 ZINC000023115561 559012911 /nfs/dbraw/zinc/01/29/11/559012911.db2.gz AQMOEIIUHGUZAU-MTGFJVSHSA-N 1 1 400.494 3.429 50 0 HGAAMO O=C([C@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1)N1Cc2ccccc2C1 ZINC000082097163 559037458 /nfs/dbraw/zinc/03/74/58/559037458.db2.gz AVSNENJAHNVGCA-QHCPKHFHSA-N 1 1 404.558 3.300 50 0 HGAAMO Cc1ccsc1CN1CCC([N@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082099584 559037931 /nfs/dbraw/zinc/03/79/31/559037931.db2.gz XEYFGXJMIIGUHK-IBGZPJMESA-N 1 1 412.603 3.444 50 0 HGAAMO O=C([C@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1)N1Cc2ccccc2C1 ZINC000082109680 559038885 /nfs/dbraw/zinc/03/88/85/559038885.db2.gz YDHKVHAIYBGNIQ-QHCPKHFHSA-N 1 1 404.558 3.300 50 0 HGAAMO Cc1ccc(CCNC(=O)[C@@H]2CCC[N@H+](C3CCN(Cc4ccncc4)CC3)C2)o1 ZINC000082138708 559040595 /nfs/dbraw/zinc/04/05/95/559040595.db2.gz HKMGSKQSHLGATB-OAQYLSRUSA-N 1 1 410.562 3.018 50 0 HGAAMO O=C(N[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cnc(-c2cccs2)[nH]c1=O ZINC000091769615 559073556 /nfs/dbraw/zinc/07/35/56/559073556.db2.gz YIHPRPMJGBZZBH-CYBMUJFWSA-N 1 1 400.529 3.367 50 0 HGAAMO CCc1ncc(CN(CCOC)C[C@@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)cn1 ZINC000095530115 559086727 /nfs/dbraw/zinc/08/67/27/559086727.db2.gz PGRJYRMWPHMSDM-FQEVSTJZSA-N 1 1 408.590 3.367 50 0 HGAAMO COc1cc(Br)c(C[NH2+]C[C@H]2CN(Cc3ccccc3)CCO2)cc1O ZINC000014157535 559154154 /nfs/dbraw/zinc/15/41/54/559154154.db2.gz DLQWLZYFWFVULA-KRWDZBQOSA-N 1 1 421.335 3.154 50 0 HGAAMO CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)CC[N@H+]1CCC[C@H](C)C1 ZINC000005055129 559237578 /nfs/dbraw/zinc/23/75/78/559237578.db2.gz JRQSZHXFPGPARL-AWEZNQCLSA-N 1 1 417.506 3.422 50 0 HGAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)CCCOc1cc(=O)n(C)c2ccccc12 ZINC000005067714 559240168 /nfs/dbraw/zinc/24/01/68/559240168.db2.gz XWRFYPXSZXZJPL-IBGZPJMESA-N 1 1 413.562 3.468 50 0 HGAAMO C[C@@H]1CCC[C@]2(C)C[C@@H]3OC(=O)[C@@H](C[NH+]4CCN(C(=O)c5ccco5)CC4)[C@H]3C=C12 ZINC000248335195 559271278 /nfs/dbraw/zinc/27/12/78/559271278.db2.gz MQSZZIBOTGMDJA-PVSFASKOSA-N 1 1 412.530 3.352 50 0 HGAAMO Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[N@H+](C)CCOc1ccc(Cl)cc1 ZINC000017287647 560705917 /nfs/dbraw/zinc/70/59/17/560705917.db2.gz AQHUZKFMIXRRTD-KRWDZBQOSA-N 1 1 417.937 3.411 50 0 HGAAMO Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[N@@H+](C)CCOc1ccc(Cl)cc1 ZINC000017287647 560705918 /nfs/dbraw/zinc/70/59/18/560705918.db2.gz AQHUZKFMIXRRTD-KRWDZBQOSA-N 1 1 417.937 3.411 50 0 HGAAMO COC(=O)c1ccccc1N(C)C(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000011287853 560771729 /nfs/dbraw/zinc/77/17/29/560771729.db2.gz ITBNJQKOZZCTJA-IBGZPJMESA-N 1 1 424.497 3.434 50 0 HGAAMO COC(=O)c1ccccc1N(C)C(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000011287853 560771731 /nfs/dbraw/zinc/77/17/31/560771731.db2.gz ITBNJQKOZZCTJA-IBGZPJMESA-N 1 1 424.497 3.434 50 0 HGAAMO C[N@@H+](Cc1nccn1CC(F)(F)F)C[C@@H]1C(=O)Nc2cc(Br)ccc21 ZINC000102027504 560807497 /nfs/dbraw/zinc/80/74/97/560807497.db2.gz FDPNFVAZXKZZJI-LBPRGKRZSA-N 1 1 417.229 3.376 50 0 HGAAMO C[N@H+](Cc1nccn1CC(F)(F)F)C[C@@H]1C(=O)Nc2cc(Br)ccc21 ZINC000102027504 560807499 /nfs/dbraw/zinc/80/74/99/560807499.db2.gz FDPNFVAZXKZZJI-LBPRGKRZSA-N 1 1 417.229 3.376 50 0 HGAAMO CC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]3CCC[N@@H+]3[C@]23c2ccccc2N(C)C3=O)c1 ZINC000103733269 560844116 /nfs/dbraw/zinc/84/41/16/560844116.db2.gz GWKQRCRWPHCEDS-LJFZDNNRSA-N 1 1 403.482 3.184 50 0 HGAAMO CC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]3CCC[N@H+]3[C@]23c2ccccc2N(C)C3=O)c1 ZINC000103733269 560844117 /nfs/dbraw/zinc/84/41/17/560844117.db2.gz GWKQRCRWPHCEDS-LJFZDNNRSA-N 1 1 403.482 3.184 50 0 HGAAMO COC[C@H](O)C[N@@H+](Cc1ccccc1F)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104984660 560859044 /nfs/dbraw/zinc/85/90/44/560859044.db2.gz SOKAAQBZUXDCPM-RTBURBONSA-N 1 1 406.885 3.482 50 0 HGAAMO COC[C@H](O)C[N@H+](Cc1ccccc1F)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104984660 560859046 /nfs/dbraw/zinc/85/90/46/560859046.db2.gz SOKAAQBZUXDCPM-RTBURBONSA-N 1 1 406.885 3.482 50 0 HGAAMO Cc1c(Cl)cccc1N1C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(C(=O)Nc4ccccc43)[C@H]2C1=O ZINC000106535485 560892188 /nfs/dbraw/zinc/89/21/88/560892188.db2.gz QYKFPSKFNDXJHN-LVBDUCALSA-N 1 1 421.884 3.080 50 0 HGAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21 ZINC000106535549 560892345 /nfs/dbraw/zinc/89/23/45/560892345.db2.gz OIQLTZDNZIKXLG-ORQYLMBXSA-N 1 1 421.884 3.080 50 0 HGAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000106535549 560892346 /nfs/dbraw/zinc/89/23/46/560892346.db2.gz OIQLTZDNZIKXLG-ORQYLMBXSA-N 1 1 421.884 3.080 50 0 HGAAMO O=C(Nc1cccc(OC(F)F)c1)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000107148811 560895385 /nfs/dbraw/zinc/89/53/85/560895385.db2.gz SJZWHCIWHXUESG-APWZRJJASA-N 1 1 405.445 3.293 50 0 HGAAMO CCn1c(C)cc(O)c([C@H](c2cccnc2)[NH+]2CCN(c3ccccc3)CC2)c1=O ZINC000022697456 568415480 /nfs/dbraw/zinc/41/54/80/568415480.db2.gz HOTVEPBLVYFFCP-QHCPKHFHSA-N 1 1 404.514 3.189 50 0 HGAAMO C[C@@H](CNC(=O)Nc1nnc(-c2ccccn2)s1)[N@@H+]1CCc2sccc2C1 ZINC000047791014 568431279 /nfs/dbraw/zinc/43/12/79/568431279.db2.gz CVVQZKTUYHICCC-LBPRGKRZSA-N 1 1 400.533 3.230 50 0 HGAAMO C[C@@H](CNC(=O)Nc1nnc(-c2ccccn2)s1)[N@H+]1CCc2sccc2C1 ZINC000047791014 568431280 /nfs/dbraw/zinc/43/12/80/568431280.db2.gz CVVQZKTUYHICCC-LBPRGKRZSA-N 1 1 400.533 3.230 50 0 HGAAMO Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)N[C@@H]3CC[N@H+](C4CC4)C3)c2)c1 ZINC000048274827 568435503 /nfs/dbraw/zinc/43/55/03/568435503.db2.gz CWTQTXBSHUKIMA-LJQANCHMSA-N 1 1 413.543 3.071 50 0 HGAAMO Cc1ccc(N2C(=O)C[C@H]([NH+]3CCC(C(N)=O)(C4CCCCC4)CC3)C2=O)c(C)c1 ZINC000051364632 568439728 /nfs/dbraw/zinc/43/97/28/568439728.db2.gz MVOXWOUUVQMNSL-FQEVSTJZSA-N 1 1 411.546 3.083 50 0 HGAAMO CCOC(=O)C1C(C[NH+]2CCCCC2)=NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000020214512 568594692 /nfs/dbraw/zinc/59/46/92/568594692.db2.gz WICKJHMWHQFEFQ-HXUWFJFHSA-N 1 1 401.507 3.131 50 0 HGAAMO CCOC(=O)C1=C(C[NH+]2CCCCC2)NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000020214512 568594693 /nfs/dbraw/zinc/59/46/93/568594693.db2.gz WICKJHMWHQFEFQ-HXUWFJFHSA-N 1 1 401.507 3.131 50 0 HGAAMO C[C@H]1C[C@H](NC(=O)COc2ccc(N3CCCC3=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000095408976 568606577 /nfs/dbraw/zinc/60/65/77/568606577.db2.gz RIQLCABSCOHFIC-PZJWPPBQSA-N 1 1 421.541 3.362 50 0 HGAAMO Cc1nnc2c(NCCCN3CC[NH+](Cc4ccccc4)CC3)nc3ccccc3n12 ZINC000020488585 568613760 /nfs/dbraw/zinc/61/37/60/568613760.db2.gz PMSIIGNEIUZFEK-UHFFFAOYSA-N 1 1 415.545 3.206 50 0 HGAAMO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@H+]2[C@]32c3ccc(C)c(C)c3NC2=O)cc1 ZINC000020611323 568637226 /nfs/dbraw/zinc/63/72/26/568637226.db2.gz NXZSRMPTWNKCNO-PBQROFAYSA-N 1 1 415.493 3.043 50 0 biogenic HGAAMO Cc1cc(C)c(NC(=S)N2CCC([N@@H+](C)CCN3CCOCC3)CC2)c(C)c1 ZINC000020733986 568641142 /nfs/dbraw/zinc/64/11/42/568641142.db2.gz KNNRGEDANGIUDS-UHFFFAOYSA-N 1 1 404.624 3.037 50 0 HGAAMO O=C(CC[NH+]1CCN(CC(=O)Nc2ccccc2Cl)CC1)Nc1ccccc1F ZINC000020767360 568643213 /nfs/dbraw/zinc/64/32/13/568643213.db2.gz YEJIUTBLWPCKCR-UHFFFAOYSA-N 1 1 418.900 3.064 50 0 HGAAMO COc1cccc(-c2noc(NCCC[NH+]3CCN(Cc4ccccc4)CC3)n2)c1 ZINC000020996853 568657106 /nfs/dbraw/zinc/65/71/06/568657106.db2.gz QDVTVGURLHGKIN-UHFFFAOYSA-N 1 1 407.518 3.365 50 0 HGAAMO CCc1ccc(N2C[C@@H](c3nc4ccccc4n3CC[NH+]3CCOCC3)CC2=O)cc1 ZINC000021171732 568676556 /nfs/dbraw/zinc/67/65/56/568676556.db2.gz YVAAGBGGRXQPRB-FQEVSTJZSA-N 1 1 418.541 3.451 50 0 HGAAMO CN1C(=O)CC[C@@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@@H]1c1ccc(F)cc1 ZINC000096182566 568702714 /nfs/dbraw/zinc/70/27/14/568702714.db2.gz JVEWLUBLUCCFAF-GGAORHGYSA-N 1 1 409.505 3.080 50 0 HGAAMO CCCCn1c2ccc(S(N)(=O)=O)cc2nc1C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000021582664 568719864 /nfs/dbraw/zinc/71/98/64/568719864.db2.gz MGJMOSOSEXRDQM-DLBZAZTESA-N 1 1 404.580 3.496 50 0 HGAAMO CCc1ccc(N2CC[C@H](C(=O)NCCC[N@H+]3CCc4ccccc4C3)C2=O)cc1 ZINC000021642760 568727787 /nfs/dbraw/zinc/72/77/87/568727787.db2.gz SOQVPJDHXIWPDL-HSZRJFAPSA-N 1 1 405.542 3.167 50 0 HGAAMO O=S(=O)(NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)N1CCCCCC1 ZINC000056124626 568786537 /nfs/dbraw/zinc/78/65/37/568786537.db2.gz VOGPMPYQUIGGOA-UHFFFAOYSA-N 1 1 419.513 3.380 50 0 HGAAMO [NH2+]=C1Nc2nc3cc4c(cc3n2[C@@H](c2ccccc2OC(F)(F)F)N1)OCCCO4 ZINC000012507678 568839658 /nfs/dbraw/zinc/83/96/58/568839658.db2.gz JWXQLRIPTVYRIY-INIZCTEOSA-N 1 1 419.363 3.193 50 0 HGAAMO [NH2+]=C1Nc2nc3cc4c(cc3n2[C@@H](c2ccc(Br)cc2)N1)OCCCO4 ZINC000012507746 568839871 /nfs/dbraw/zinc/83/98/71/568839871.db2.gz QGTSUKXQWBJNMY-INIZCTEOSA-N 1 1 414.263 3.056 50 0 HGAAMO COc1cccc(NC(=O)CN(C)C(=O)C[NH2+]C(c2ccccc2)c2ccccc2)c1 ZINC000057854327 568863442 /nfs/dbraw/zinc/86/34/42/568863442.db2.gz KLAKZXKQWPVILU-UHFFFAOYSA-N 1 1 417.509 3.471 50 0 HGAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)CCc1ccc(OC)c(OC)c1 ZINC000263585103 568878443 /nfs/dbraw/zinc/87/84/43/568878443.db2.gz FCKLGDLKDIMEBX-LEWJYISDSA-N 1 1 418.578 3.376 50 0 biogenic HGAAMO COc1ccc(CCNC(=O)N[C@H](C[N@H+](C)C2CCN(C)CC2)c2ccccc2)cc1 ZINC000058158655 568893784 /nfs/dbraw/zinc/89/37/84/568893784.db2.gz XLFFATITFGDWCF-XMMPIXPASA-N 1 1 424.589 3.304 50 0 HGAAMO COc1ccc(CCNC(=O)N[C@H](C[N@@H+](C)C2CCN(C)CC2)c2ccccc2)cc1 ZINC000058158655 568893785 /nfs/dbraw/zinc/89/37/85/568893785.db2.gz XLFFATITFGDWCF-XMMPIXPASA-N 1 1 424.589 3.304 50 0 HGAAMO O=C(CCNC(=O)c1ccc(F)cc1)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000053028579 568923392 /nfs/dbraw/zinc/92/33/92/568923392.db2.gz KVFKQWSFPIEGRE-UHFFFAOYSA-N 1 1 417.912 3.334 50 0 HGAAMO O=C(CCNC(=O)c1ccc(F)cc1)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000053028579 568923394 /nfs/dbraw/zinc/92/33/94/568923394.db2.gz KVFKQWSFPIEGRE-UHFFFAOYSA-N 1 1 417.912 3.334 50 0 HGAAMO O=S(=O)(c1ccc(Nc2ccc([NH+]3CCCCCC3)cc2)nc1)N1CCOCC1 ZINC000008161357 568979126 /nfs/dbraw/zinc/97/91/26/568979126.db2.gz HUMMBEYKBXOKDF-UHFFFAOYSA-N 1 1 416.547 3.227 50 0 HGAAMO Cc1nn(-c2ccccc2)cc1-c1noc(C(=O)NCCC[N@@H+]2CCC[C@@H](C)C2)n1 ZINC000015729677 568980280 /nfs/dbraw/zinc/98/02/80/568980280.db2.gz NJXPVTMQRXCCHK-MRXNPFEDSA-N 1 1 408.506 3.083 50 0 HGAAMO C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000008310496 568988731 /nfs/dbraw/zinc/98/87/31/568988731.db2.gz TWPBGMPCHBCGCB-HNAYVOBHSA-N 1 1 409.486 3.111 50 0 HGAAMO C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000008310496 568988732 /nfs/dbraw/zinc/98/87/32/568988732.db2.gz TWPBGMPCHBCGCB-HNAYVOBHSA-N 1 1 409.486 3.111 50 0 HGAAMO COc1ccc(OCC[N@H+](C)CC(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1 ZINC000008394388 568998803 /nfs/dbraw/zinc/99/88/03/568998803.db2.gz FEFQBKULQKWFKS-UHFFFAOYSA-N 1 1 408.502 3.447 50 0 HGAAMO COc1ccc(OCC[N@@H+](C)CC(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1 ZINC000008394388 568998805 /nfs/dbraw/zinc/99/88/05/568998805.db2.gz FEFQBKULQKWFKS-UHFFFAOYSA-N 1 1 408.502 3.447 50 0 HGAAMO CC(C)N(C(=O)[C@H](C)[NH+]1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1)C(C)C ZINC000012855987 569011069 /nfs/dbraw/zinc/01/10/69/569011069.db2.gz MRASICOROVLSON-KRWDZBQOSA-N 1 1 402.535 3.386 50 0 HGAAMO CCCc1c(O)c(C(C)=O)ccc1OC[C@H](O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000045068636 569012924 /nfs/dbraw/zinc/01/29/24/569012924.db2.gz JNAPQFIGNCOMEC-HXUWFJFHSA-N 1 1 412.530 3.109 50 0 HGAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)CC2CCN(C(=O)NC3CCCCC3)CC2)C1 ZINC000035399195 569035239 /nfs/dbraw/zinc/03/52/39/569035239.db2.gz BWDFBEYUWNIGGL-IBGZPJMESA-N 1 1 406.615 3.369 50 0 HGAAMO CCCc1nc2c(c(=O)n1CC(=O)NC1CCCCC1)CC[N@H+](Cc1ccccc1)C2 ZINC000035457161 569037781 /nfs/dbraw/zinc/03/77/81/569037781.db2.gz HEPKJLCJNJBSJE-UHFFFAOYSA-N 1 1 422.573 3.203 50 0 HGAAMO CCCc1nc2c(c(=O)n1CC(=O)NC1CCCCC1)CC[N@@H+](Cc1ccccc1)C2 ZINC000035457161 569037782 /nfs/dbraw/zinc/03/77/82/569037782.db2.gz HEPKJLCJNJBSJE-UHFFFAOYSA-N 1 1 422.573 3.203 50 0 HGAAMO CCCc1nc2c(c(=O)n1CC(=O)Nc1ccccc1)CC[N@H+](Cc1ccccc1)C2 ZINC000035457038 569037801 /nfs/dbraw/zinc/03/78/01/569037801.db2.gz FMFJCSMYZZNCOS-UHFFFAOYSA-N 1 1 416.525 3.393 50 0 HGAAMO CCCc1nc2c(c(=O)n1CC(=O)Nc1ccccc1)CC[N@@H+](Cc1ccccc1)C2 ZINC000035457038 569037802 /nfs/dbraw/zinc/03/78/02/569037802.db2.gz FMFJCSMYZZNCOS-UHFFFAOYSA-N 1 1 416.525 3.393 50 0 HGAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)CC1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000035454047 569037865 /nfs/dbraw/zinc/03/78/65/569037865.db2.gz JHXQAULVEPFVOL-GOSISDBHSA-N 1 1 410.562 3.401 50 0 HGAAMO Cc1ccc(NC(=O)Cn2c(C)nc3c(c2=O)CC[N@H+](Cc2ccccc2)C3)c(C)c1 ZINC000035455977 569037909 /nfs/dbraw/zinc/03/79/09/569037909.db2.gz IJZVRKKDMJOSRG-UHFFFAOYSA-N 1 1 416.525 3.366 50 0 HGAAMO Cc1ccc(NC(=O)Cn2c(C)nc3c(c2=O)CC[N@@H+](Cc2ccccc2)C3)c(C)c1 ZINC000035455977 569037910 /nfs/dbraw/zinc/03/79/10/569037910.db2.gz IJZVRKKDMJOSRG-UHFFFAOYSA-N 1 1 416.525 3.366 50 0 HGAAMO C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](OCc2ccccn2)C1)c1ccc(Br)cc1 ZINC000229885978 569040727 /nfs/dbraw/zinc/04/07/27/569040727.db2.gz XLSVBPMETYPGAH-DNVCBOLYSA-N 1 1 418.335 3.312 50 0 HGAAMO C[C@@H](NC(=O)C[N@H+]1CC[C@@H](OCc2ccccn2)C1)c1ccc(Br)cc1 ZINC000229885978 569040728 /nfs/dbraw/zinc/04/07/28/569040728.db2.gz XLSVBPMETYPGAH-DNVCBOLYSA-N 1 1 418.335 3.312 50 0 HGAAMO CCOc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)cc1 ZINC000229376161 569040417 /nfs/dbraw/zinc/04/04/17/569040417.db2.gz HPRPVFJLAFAMSV-ZWKOTPCHSA-N 1 1 410.518 3.466 50 0 HGAAMO CCOc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)cc1 ZINC000229376161 569040418 /nfs/dbraw/zinc/04/04/18/569040418.db2.gz HPRPVFJLAFAMSV-ZWKOTPCHSA-N 1 1 410.518 3.466 50 0 HGAAMO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 ZINC000013003911 569049353 /nfs/dbraw/zinc/04/93/53/569049353.db2.gz TZPPPXQGIKYADJ-KRWDZBQOSA-N 1 1 407.580 3.453 50 0 HGAAMO C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 ZINC000013003911 569049354 /nfs/dbraw/zinc/04/93/54/569049354.db2.gz TZPPPXQGIKYADJ-KRWDZBQOSA-N 1 1 407.580 3.453 50 0 HGAAMO COCCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)c1cc(-c2cccnc2)n[nH]1 ZINC000409415107 569051525 /nfs/dbraw/zinc/05/15/25/569051525.db2.gz TZXOHCPJFHMULX-SIKLNZKXSA-N 1 1 411.550 3.215 50 0 biogenic HGAAMO COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1cc(-c2cccnc2)[nH]n1 ZINC000409415107 569051526 /nfs/dbraw/zinc/05/15/26/569051526.db2.gz TZXOHCPJFHMULX-SIKLNZKXSA-N 1 1 411.550 3.215 50 0 biogenic HGAAMO COCCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)c1cc(-c2cccnc2)[nH]n1 ZINC000409415107 569051527 /nfs/dbraw/zinc/05/15/27/569051527.db2.gz TZXOHCPJFHMULX-SIKLNZKXSA-N 1 1 411.550 3.215 50 0 biogenic HGAAMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)NC[C@H]3CCN(c4ccc(F)cc4)C3)cc2)CCO1 ZINC000242191305 569054936 /nfs/dbraw/zinc/05/49/36/569054936.db2.gz XENKPUXFDKZHFZ-UYAOXDASSA-N 1 1 411.521 3.303 50 0 HGAAMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NC[C@H]3CCN(c4ccc(F)cc4)C3)cc2)CCO1 ZINC000242191305 569054937 /nfs/dbraw/zinc/05/49/37/569054937.db2.gz XENKPUXFDKZHFZ-UYAOXDASSA-N 1 1 411.521 3.303 50 0 HGAAMO CCOc1cc([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)N2CCCCC2)ccc1O ZINC000006464530 569057831 /nfs/dbraw/zinc/05/78/31/569057831.db2.gz NHZZGNAMAAEEJA-IEXUWNMDSA-N 1 1 416.562 3.472 50 0 HGAAMO CCC[N@H+]1CC[C@@H](NC(=O)c2csc3c2CCN(Cc2c(C)noc2C)C3)C1 ZINC000426683800 569073830 /nfs/dbraw/zinc/07/38/30/569073830.db2.gz LBOBTQHPQWCXTD-MRXNPFEDSA-N 1 1 402.564 3.125 50 0 HGAAMO CCOC(=O)C1=C(C[N@H+]2CCCC[C@@H]2C)N(CC)C(=O)N[C@H]1c1cccc(OC)c1 ZINC000035991346 569074612 /nfs/dbraw/zinc/07/46/12/569074612.db2.gz HBNKXLQEHLNBGD-KKSFZXQISA-N 1 1 415.534 3.473 50 0 HGAAMO CC[C@H](C)[N@@H+](CCNC(=O)c1ccc2c(c1)nc(C)c(=O)n2C)Cc1cccs1 ZINC000064858975 569109341 /nfs/dbraw/zinc/10/93/41/569109341.db2.gz YJEAKFANTKHVJJ-HNNXBMFYSA-N 1 1 412.559 3.334 50 0 HGAAMO CCN(CC)C(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000036250177 569119154 /nfs/dbraw/zinc/11/91/54/569119154.db2.gz AJSRNLMCFLOMIA-HXUWFJFHSA-N 1 1 407.505 3.150 50 0 HGAAMO CCOC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)noc1N1CCOCC1)CC(C)C ZINC000036249797 569119179 /nfs/dbraw/zinc/11/91/79/569119179.db2.gz GDDLKVRLMZTFTQ-FQEVSTJZSA-N 1 1 417.550 3.034 50 0 HGAAMO Cc1c(C(=O)NCCC[N@H+](C)Cc2ccccc2)cccc1-n1nnc2cccnc21 ZINC000064925763 569122791 /nfs/dbraw/zinc/12/27/91/569122791.db2.gz HBVZRNPEOJZZJG-UHFFFAOYSA-N 1 1 414.513 3.376 50 0 HGAAMO Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000064946978 569129217 /nfs/dbraw/zinc/12/92/17/569129217.db2.gz RRNSFWRGCDMLOX-UHFFFAOYSA-N 1 1 402.564 3.128 50 0 HGAAMO Cc1ccc(S(=O)(=O)N2CCN(c3nc(Nc4ccccc4)cc(C)[nH+]3)CC2)cc1 ZINC000064977924 569140348 /nfs/dbraw/zinc/14/03/48/569140348.db2.gz LTXCWFYMMXVDRB-UHFFFAOYSA-N 1 1 423.542 3.348 50 0 HGAAMO COc1ccc(C[N@H+](C)Cc2cc(=O)n3cc(Br)ccc3n2)c(OC)c1 ZINC000007973760 569144446 /nfs/dbraw/zinc/14/44/46/569144446.db2.gz LLIIEXLQNSDYJS-UHFFFAOYSA-N 1 1 418.291 3.106 50 0 HGAAMO COc1ccc(C[N@@H+](C)Cc2cc(=O)n3cc(Br)ccc3n2)c(OC)c1 ZINC000007973760 569144448 /nfs/dbraw/zinc/14/44/48/569144448.db2.gz LLIIEXLQNSDYJS-UHFFFAOYSA-N 1 1 418.291 3.106 50 0 HGAAMO Cc1c(C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)sc2nc3n(c(=O)c12)CCCC3 ZINC000006840956 569151453 /nfs/dbraw/zinc/15/14/53/569151453.db2.gz NDDRBEAKRKWCJF-GASCZTMLSA-N 1 1 416.591 3.201 50 0 HGAAMO CCCC1N=NC(=S)N1CC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000036391053 569166731 /nfs/dbraw/zinc/16/67/31/569166731.db2.gz KRZIZIDSQWWGMX-INIZCTEOSA-N 1 1 401.580 3.210 50 0 HGAAMO O=C(Cc1cccc(F)c1)N1CCN(c2nc(C[NH+]3CCCCC3)cs2)CC1 ZINC000065200140 569193604 /nfs/dbraw/zinc/19/36/04/569193604.db2.gz KJZZBYBPMDGYJI-UHFFFAOYSA-N 1 1 402.539 3.159 50 0 HGAAMO CC1CC[NH+](Cc2csc(N3CCN(C(=O)c4cccc(F)c4)CC3)n2)CC1 ZINC000065200295 569193720 /nfs/dbraw/zinc/19/37/20/569193720.db2.gz CBZMIJQSOZKSNN-UHFFFAOYSA-N 1 1 402.539 3.477 50 0 HGAAMO CCC[NH+]1CCN(C(=O)c2cc3c(s2)CCN(C(=O)c2ccc(F)cc2)C3)CC1 ZINC000065201591 569196045 /nfs/dbraw/zinc/19/60/45/569196045.db2.gz TVFULJFILZLMFT-UHFFFAOYSA-N 1 1 415.534 3.254 50 0 HGAAMO CN(Cc1ccccc1)c1ccc(-c2noc(C[NH+]3CCC4(CC3)OCCO4)n2)cn1 ZINC000065216376 569197621 /nfs/dbraw/zinc/19/76/21/569197621.db2.gz MSRGPOADVPAYNX-UHFFFAOYSA-N 1 1 421.501 3.107 50 0 biogenic HGAAMO O=c1c2cc(-c3cccs3)nn2ccn1Cc1noc(C[NH+]2CCCCCCC2)n1 ZINC000065236009 569202605 /nfs/dbraw/zinc/20/26/05/569202605.db2.gz JZJRWNKHTMOKQR-UHFFFAOYSA-N 1 1 424.530 3.422 50 0 HGAAMO Cc1oc2ncn(CC(C)C)c(=O)c2c1C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000065329678 569224776 /nfs/dbraw/zinc/22/47/76/569224776.db2.gz JDZPEDBUXZTFPE-UHFFFAOYSA-N 1 1 422.529 3.132 50 0 HGAAMO CCOc1ccc(C(F)(F)F)cc1NC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](CC)C1 ZINC000089949207 569269782 /nfs/dbraw/zinc/26/97/82/569269782.db2.gz KXPVXTLLUPVLAV-UKRRQHHQSA-N 1 1 403.445 3.413 50 0 HGAAMO C[NH+](C)[C@H](CNC(=O)c1ccc2c(c1)nc1n(c2=O)CCC1)c1ccccc1Cl ZINC000027104108 569277974 /nfs/dbraw/zinc/27/79/74/569277974.db2.gz IVKKGAONKCZXSI-LJQANCHMSA-N 1 1 410.905 3.029 50 0 HGAAMO CC(C)C[NH+]1CCN([C@H]2CCOC3(CCN(C(=O)c4ccsc4)CC3)C2)CC1 ZINC000581819676 569320750 /nfs/dbraw/zinc/32/07/50/569320750.db2.gz AWRQGJNNVMQLCL-FQEVSTJZSA-N 1 1 405.608 3.176 50 0 HGAAMO C[C@@H]1[C@H]2CC[C@@]3(O)[C@@H]4C[C@H](O)[C@H]5C[C@@H](O)CC[C@@]5(C)[C@H]4C[C@H]3[C@@H]2C[N@H+]2CCCC[C@@H]12 ZINC000253487502 569381638 /nfs/dbraw/zinc/38/16/38/569381638.db2.gz LENMDDFRAPDCRB-LINAUYMDSA-N 1 1 417.634 3.432 50 0 HGAAMO COc1c2c(cc3c1[C@H](C[C@@H](O)CCc1ccc4c(c1)OCO4)[N@@H+](C)CC3)OCO2 ZINC000012661582 569402711 /nfs/dbraw/zinc/40/27/11/569402711.db2.gz SDGLWTATVZQCPU-IRXDYDNUSA-N 1 1 413.470 3.065 50 0 biogenic HGAAMO C[C@H](Cc1ccccc1F)C(=O)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)nc2c1 ZINC000078825122 569420810 /nfs/dbraw/zinc/42/08/10/569420810.db2.gz FEZZLICWDVZVQH-MRXNPFEDSA-N 1 1 410.493 3.394 50 0 HGAAMO CCc1cc(=O)oc2c(C)c(OCC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)ccc12 ZINC000079193033 569429328 /nfs/dbraw/zinc/42/93/28/569429328.db2.gz SCXLHWYZRLQMFM-AZUAARDMSA-N 1 1 412.530 3.423 50 0 biogenic HGAAMO CCCCNC(=O)NC(=O)C[N@H+](Cc1ccc(OC(F)F)c(OCC)c1)C1CC1 ZINC000008747927 571111202 /nfs/dbraw/zinc/11/12/02/571111202.db2.gz IHNAAILGQSXPDW-UHFFFAOYSA-N 1 1 413.465 3.277 50 0 HGAAMO CCCCNC(=O)NC(=O)C[N@@H+](Cc1ccc(OC(F)F)c(OCC)c1)C1CC1 ZINC000008747927 571111205 /nfs/dbraw/zinc/11/12/05/571111205.db2.gz IHNAAILGQSXPDW-UHFFFAOYSA-N 1 1 413.465 3.277 50 0 HGAAMO CC(C)Cc1ccc(C(=O)C2CC[NH+]([C@@H](C)C(=O)NC[C@@H]3CCCO3)CC2)cc1 ZINC000040105851 571166410 /nfs/dbraw/zinc/16/64/10/571166410.db2.gz ZEIOQYRCIKDMOT-AVRDEDQJSA-N 1 1 400.563 3.464 50 0 HGAAMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000040106753 571167300 /nfs/dbraw/zinc/16/73/00/571167300.db2.gz GDSXYUIMBLKSDA-QGZVFWFLSA-N 1 1 415.559 3.363 50 0 HGAAMO C[C@@H]1C[C@@H](C)C[NH+](Cc2csc(NC(=O)CNC(=O)Cc3cccc(F)c3)n2)C1 ZINC000040145277 571195442 /nfs/dbraw/zinc/19/54/42/571195442.db2.gz HCUCCDYUPLVMJT-HUUCEWRRSA-N 1 1 418.538 3.058 50 0 HGAAMO Cc1ccc(N2N=C(C(=O)Nc3ccc4c(c3)C[N@@H+](CCC(C)C)C4)NCC2=O)cc1 ZINC000069533549 571228971 /nfs/dbraw/zinc/22/89/71/571228971.db2.gz PTYLRUPPLPARTJ-UHFFFAOYSA-N 1 1 419.529 3.245 50 0 HGAAMO Cc1ccccc1C(=O)NC1CCN(C(=O)C[N@H+]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000069620802 571234510 /nfs/dbraw/zinc/23/45/10/571234510.db2.gz LWJKVCUKLNURFR-OAQYLSRUSA-N 1 1 405.542 3.205 50 0 HGAAMO CCCNC(=O)c1nnn(-c2cccc3c2CC[N@H+](Cc2ccccc2F)C3)c1C ZINC000069895160 571248534 /nfs/dbraw/zinc/24/85/34/571248534.db2.gz SMLJIJMLMGBORJ-UHFFFAOYSA-N 1 1 407.493 3.413 50 0 HGAAMO CCCNC(=O)c1nnn(-c2cccc3c2CC[N@@H+](Cc2ccccc2F)C3)c1C ZINC000069895160 571248535 /nfs/dbraw/zinc/24/85/35/571248535.db2.gz SMLJIJMLMGBORJ-UHFFFAOYSA-N 1 1 407.493 3.413 50 0 HGAAMO COc1ccccc1OC[C@@H](O)C[NH+]1CCN(c2cc(C)c3ccccc3n2)CC1 ZINC000071280226 571290554 /nfs/dbraw/zinc/29/05/54/571290554.db2.gz DOZWXDIISNJMNI-IBGZPJMESA-N 1 1 407.514 3.114 50 0 HGAAMO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(Br)cc1)c1ccc(F)cc1 ZINC000010335393 571300763 /nfs/dbraw/zinc/30/07/63/571300763.db2.gz RDPCYYKSKPCDBE-MRXNPFEDSA-N 1 1 401.301 3.169 50 0 HGAAMO CCOc1ccc(CC(=O)N2CC[NH+](CCn3ccnc3-c3ccccc3)CC2)cc1 ZINC000077159036 571311813 /nfs/dbraw/zinc/31/18/13/571311813.db2.gz XJRFHWVRLXKXOW-UHFFFAOYSA-N 1 1 418.541 3.336 50 0 HGAAMO C[N@H+](CC(=O)Nc1ccccc1N1CCOCC1)Cc1ccc(Br)cc1 ZINC000003540517 132266615 /nfs/dbraw/zinc/26/66/15/132266615.db2.gz RIWCBUYZZHLVCZ-UHFFFAOYSA-N 1 1 418.335 3.356 50 0 HGAAMO C[N@@H+](CC(=O)Nc1ccccc1N1CCOCC1)Cc1ccc(Br)cc1 ZINC000003540517 132266617 /nfs/dbraw/zinc/26/66/17/132266617.db2.gz RIWCBUYZZHLVCZ-UHFFFAOYSA-N 1 1 418.335 3.356 50 0 HGAAMO O=C(C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)Nc1ccc(N2CCOCC2)cc1 ZINC000007620696 132325340 /nfs/dbraw/zinc/32/53/40/132325340.db2.gz DXBNAQODCIEVHO-NRFANRHFSA-N 1 1 423.513 3.070 50 0 HGAAMO O=C(C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)Nc1ccc(N2CCOCC2)cc1 ZINC000007620696 132325342 /nfs/dbraw/zinc/32/53/42/132325342.db2.gz DXBNAQODCIEVHO-NRFANRHFSA-N 1 1 423.513 3.070 50 0 HGAAMO CC(=O)c1ccc(N2CC[NH+](CCC(=O)NCCc3c[nH]c4ccccc34)CC2)cc1 ZINC000012587243 132364668 /nfs/dbraw/zinc/36/46/68/132364668.db2.gz MQDQUBQVHDWJDP-UHFFFAOYSA-N 1 1 418.541 3.242 50 0 HGAAMO CCN1CC[NH+](CCCNC(=O)c2c3ccccc3nnc2-c2ccccc2)CC1 ZINC000032953098 521680887 /nfs/dbraw/zinc/68/08/87/521680887.db2.gz WCKRJGXXNYXCFY-UHFFFAOYSA-N 1 1 403.530 3.054 50 0 HGAAMO CCN1CC[NH+](Cc2ccc(NC(=O)c3cc(OC)c(OC)cc3OC)cc2)CC1 ZINC000032915635 521688338 /nfs/dbraw/zinc/68/83/38/521688338.db2.gz VUAIJXZDOWLEPX-UHFFFAOYSA-N 1 1 413.518 3.102 50 0 HGAAMO C[NH+](C)[C@H](CNC(=O)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1ccco1 ZINC000044514953 522080404 /nfs/dbraw/zinc/08/04/04/522080404.db2.gz HIYYAWKLQNEKLU-XJKSGUPXSA-N 1 1 409.408 3.070 50 0 HGAAMO COc1cc(OC)c(C2=CC[N@H+](Cc3cc(=O)n4cccc(C)c4n3)CC2)c(OC)c1 ZINC000032860125 522790500 /nfs/dbraw/zinc/79/05/00/522790500.db2.gz XESRZIBTHMULDL-UHFFFAOYSA-N 1 1 421.497 3.318 50 0 HGAAMO COc1cc(OC)c(C2=CC[N@@H+](Cc3cc(=O)n4cccc(C)c4n3)CC2)c(OC)c1 ZINC000032860125 522790505 /nfs/dbraw/zinc/79/05/05/522790505.db2.gz XESRZIBTHMULDL-UHFFFAOYSA-N 1 1 421.497 3.318 50 0 HGAAMO COCc1cc(C[N@@H+]2CCN(Cc3ccccc3F)[C@@H](CCO)C2)ccc1OC ZINC000020539557 522922238 /nfs/dbraw/zinc/92/22/38/522922238.db2.gz KIWYGIGDEDXICE-NRFANRHFSA-N 1 1 402.510 3.050 50 0 HGAAMO COCc1cc(C[N@H+]2CCN(Cc3ccccc3F)[C@@H](CCO)C2)ccc1OC ZINC000020539557 522922248 /nfs/dbraw/zinc/92/22/48/522922248.db2.gz KIWYGIGDEDXICE-NRFANRHFSA-N 1 1 402.510 3.050 50 0 HGAAMO CN(C)C(=O)CSc1ccccc1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000032911490 523997223 /nfs/dbraw/zinc/99/72/23/523997223.db2.gz SIGKCDQRXFTHQF-LJQANCHMSA-N 1 1 411.571 3.261 50 0 HGAAMO C[C@H](CNC(=O)COCc1nc2ccccc2s1)[NH+]1CCN(c2ccccc2)CC1 ZINC000032724275 524384030 /nfs/dbraw/zinc/38/40/30/524384030.db2.gz QFSUONFGNATXJF-GOSISDBHSA-N 1 1 424.570 3.140 50 0 HGAAMO Cc1ccc(C[N@@H+]2CCN(Cc3cccn3-c3ccc(Cl)cn3)C[C@@H]2CCO)o1 ZINC000020536069 524459024 /nfs/dbraw/zinc/45/90/24/524459024.db2.gz JGJHRKXFWUXZJP-IBGZPJMESA-N 1 1 414.937 3.496 50 0 HGAAMO Cc1ccc(C[N@H+]2CCN(Cc3cccn3-c3ccc(Cl)cn3)C[C@@H]2CCO)o1 ZINC000020536069 524459030 /nfs/dbraw/zinc/45/90/30/524459030.db2.gz JGJHRKXFWUXZJP-IBGZPJMESA-N 1 1 414.937 3.496 50 0 HGAAMO CC(=O)c1ccc(N2CCN(C(=O)C[N@@H+](C)Cc3sccc3C)CC2)c(F)c1 ZINC000010055860 534846991 /nfs/dbraw/zinc/84/69/91/534846991.db2.gz GXBLEYMNLLNNQZ-UHFFFAOYSA-N 1 1 403.523 3.179 50 0 HGAAMO CC(=O)c1ccc(N2CCN(C(=O)C[N@H+](C)Cc3sccc3C)CC2)c(F)c1 ZINC000010055860 534846997 /nfs/dbraw/zinc/84/69/97/534846997.db2.gz GXBLEYMNLLNNQZ-UHFFFAOYSA-N 1 1 403.523 3.179 50 0 HGAAMO O=C(C1CCCCC1)N1CCC[C@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000020600538 526299107 /nfs/dbraw/zinc/29/91/07/526299107.db2.gz YTBRMIWAYZKRQP-NRFANRHFSA-N 1 1 413.562 3.104 50 0 HGAAMO O=C(CCNC(=O)c1ccsc1)N1CC[NH+](Cc2csc3ccccc23)CC1 ZINC000032757236 526508869 /nfs/dbraw/zinc/50/88/69/526508869.db2.gz OFDRBIRKIZFKBN-UHFFFAOYSA-N 1 1 413.568 3.427 50 0 HGAAMO C[NH+]1CCN(c2cc(Cl)nc(SCc3ccc(C(=O)NC4CC4)cc3)n2)CC1 ZINC000004355813 536420089 /nfs/dbraw/zinc/42/00/89/536420089.db2.gz ZUHKMMDCXKBADQ-UHFFFAOYSA-N 1 1 417.966 3.066 50 0 HGAAMO COc1cccc2[nH]c3c(ncnc3N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c21 ZINC000002232206 536924052 /nfs/dbraw/zinc/92/40/52/536924052.db2.gz QVLMDYZHUPCMPA-UHFFFAOYSA-N 1 1 417.469 3.171 50 0 HGAAMO CCc1ccc(C[NH+]2CCN(Cc3nc(C(=O)NCc4ccccc4)co3)CC2)cc1 ZINC000034677997 557365524 /nfs/dbraw/zinc/36/55/24/557365524.db2.gz PESCTTVXPSZLIE-UHFFFAOYSA-N 1 1 418.541 3.485 50 0 HGAAMO Cc1ccc(C(=O)N(CC2CC2)C[C@H]2C[N@H+](C[C@H](O)Cc3ccccc3)CCO2)cc1 ZINC000034691692 557371984 /nfs/dbraw/zinc/37/19/84/557371984.db2.gz VWPHGRZTSBAFER-JWQCQUIFSA-N 1 1 422.569 3.152 50 0 HGAAMO Cc1ccc(C(=O)N(CC2CC2)C[C@H]2C[N@@H+](C[C@H](O)Cc3ccccc3)CCO2)cc1 ZINC000034691692 557371989 /nfs/dbraw/zinc/37/19/89/557371989.db2.gz VWPHGRZTSBAFER-JWQCQUIFSA-N 1 1 422.569 3.152 50 0 HGAAMO Fc1cccc(Oc2nc(N3CCOCC3)nc3c2C[N@H+](Cc2ccncc2)CC3)c1 ZINC000034755717 557458424 /nfs/dbraw/zinc/45/84/24/557458424.db2.gz BSYPCPTZGDFYLS-UHFFFAOYSA-N 1 1 421.476 3.198 50 0 HGAAMO Fc1cccc(Oc2nc(N3CCOCC3)nc3c2C[N@@H+](Cc2ccncc2)CC3)c1 ZINC000034755717 557458427 /nfs/dbraw/zinc/45/84/27/557458427.db2.gz BSYPCPTZGDFYLS-UHFFFAOYSA-N 1 1 421.476 3.198 50 0 HGAAMO N=C1N(CCN2CCOCC2)c2ccccc2[N@@H+]1CC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000003880246 557502407 /nfs/dbraw/zinc/50/24/07/557502407.db2.gz KDTNBYIYXDPGDN-UHFFFAOYSA-N 1 1 422.573 3.040 50 0 HGAAMO N=C1N(CCN2CCOCC2)c2ccccc2[N@H+]1CC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000003880246 557502412 /nfs/dbraw/zinc/50/24/12/557502412.db2.gz KDTNBYIYXDPGDN-UHFFFAOYSA-N 1 1 422.573 3.040 50 0 HGAAMO COCCOC(=O)C1=C(C)[NH+]=C2Nc3ccccc3N2[C@@H]1c1ccc(O)c(OC)c1 ZINC000008739015 557803437 /nfs/dbraw/zinc/80/34/37/557803437.db2.gz DFNFWTWNLDULMG-HXUWFJFHSA-N 1 1 409.442 3.207 50 0 HGAAMO CCOC(=O)c1c(C)n(C)c2ccc(OC[C@H](O)C[N@H+]3CCc4ccccc4C3)cc21 ZINC000009970620 557852541 /nfs/dbraw/zinc/85/25/41/557852541.db2.gz TUPOTXLSGDRCON-HXUWFJFHSA-N 1 1 422.525 3.461 50 0 HGAAMO Cc1cccc(C[NH+]2CCN(CC(=O)Nc3c(F)c(F)c(F)c(F)c3F)CC2)c1 ZINC000022920227 558263349 /nfs/dbraw/zinc/26/33/49/558263349.db2.gz HSNGUZNFXVISIR-UHFFFAOYSA-N 1 1 413.390 3.447 50 0 HGAAMO COc1ccc(CN2CC[N@H+](Cc3c[nH]nc3-c3ccc(F)cc3)CCC2=O)cc1 ZINC000011789807 558277245 /nfs/dbraw/zinc/27/72/45/558277245.db2.gz VEYXSNFGIXNELH-UHFFFAOYSA-N 1 1 408.477 3.459 50 0 HGAAMO COc1ccc(CN2CC[N@@H+](Cc3c[nH]nc3-c3ccc(F)cc3)CCC2=O)cc1 ZINC000011789807 558277246 /nfs/dbraw/zinc/27/72/46/558277246.db2.gz VEYXSNFGIXNELH-UHFFFAOYSA-N 1 1 408.477 3.459 50 0 HGAAMO CN(C[C@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1)C(=O)c1cc2ncccn2n1 ZINC000011813140 558278014 /nfs/dbraw/zinc/27/80/14/558278014.db2.gz DGBVGTAJULVXNW-GOSISDBHSA-N 1 1 411.937 3.409 50 0 HGAAMO O=C(c1nc2ccc(Cl)cn2c1C[N@H+]1CCC[C@H]1CO)N1CCc2ccccc2C1 ZINC000011819467 558282662 /nfs/dbraw/zinc/28/26/62/558282662.db2.gz UEWBJYCQPQJCOY-IBGZPJMESA-N 1 1 424.932 3.143 50 0 HGAAMO O=C(c1nc2ccc(Cl)cn2c1C[N@@H+]1CCC[C@H]1CO)N1CCc2ccccc2C1 ZINC000011819467 558282666 /nfs/dbraw/zinc/28/26/66/558282666.db2.gz UEWBJYCQPQJCOY-IBGZPJMESA-N 1 1 424.932 3.143 50 0 HGAAMO COc1cccc(N2C(=O)C[C@@H]([NH+]3CCC(c4nc5ccccc5[nH]4)CC3)C2=O)c1 ZINC000019857485 558296818 /nfs/dbraw/zinc/29/68/18/558296818.db2.gz DXKUKULLZKVENQ-HXUWFJFHSA-N 1 1 404.470 3.083 50 0 HGAAMO COc1ccc(CN2CC[NH+](C3CCN(Cc4ccccc4)CC3)CC2)cc1OC ZINC000019880269 558300814 /nfs/dbraw/zinc/30/08/14/558300814.db2.gz QUFCNGNHCKGMCY-UHFFFAOYSA-N 1 1 409.574 3.486 50 0 HGAAMO COc1ccc(CCC(=O)NCC[N@H+]2Cc3cc(C)ccc3O[C@@H](C)C2)cc1OC ZINC000012035040 558311667 /nfs/dbraw/zinc/31/16/67/558311667.db2.gz UMJUBJWDJABNJC-SFHVURJKSA-N 1 1 412.530 3.344 50 0 HGAAMO COc1ccc(CCC(=O)NCC[N@@H+]2Cc3cc(C)ccc3O[C@@H](C)C2)cc1OC ZINC000012035040 558311668 /nfs/dbraw/zinc/31/16/68/558311668.db2.gz UMJUBJWDJABNJC-SFHVURJKSA-N 1 1 412.530 3.344 50 0 HGAAMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)Nc1c2c(nc3ccccc31)CCC2 ZINC000019947308 558314806 /nfs/dbraw/zinc/31/48/06/558314806.db2.gz GAUAHJJOKLPLPF-UHFFFAOYSA-N 1 1 400.526 3.480 50 0 HGAAMO COc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3ccc(N4CCNC4=O)cc3)C2)c(OC)c1 ZINC000020204144 558346400 /nfs/dbraw/zinc/34/64/00/558346400.db2.gz WMKFBYCPZRAAJO-SFHVURJKSA-N 1 1 423.513 3.328 50 0 HGAAMO CN(C[C@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1)C(=O)CSc1ncccn1 ZINC000012227717 558357335 /nfs/dbraw/zinc/35/73/35/558357335.db2.gz DRQOBFNQJPOYKV-GOSISDBHSA-N 1 1 402.539 3.121 50 0 HGAAMO COc1cccc(C(=O)NC[C@@H]2CCC[N@H+](Cc3nc4ccccc4[nH]3)C2)c1OC ZINC000012306227 558375073 /nfs/dbraw/zinc/37/50/73/558375073.db2.gz YUKDYGZZQZKMOO-INIZCTEOSA-N 1 1 408.502 3.222 50 0 HGAAMO COc1cccc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3nc4ccccc4[nH]3)C2)c1OC ZINC000012306227 558375076 /nfs/dbraw/zinc/37/50/76/558375076.db2.gz YUKDYGZZQZKMOO-INIZCTEOSA-N 1 1 408.502 3.222 50 0 HGAAMO CCN(C[C@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1)C(=O)c1n[nH]c2c1CCC2 ZINC000012306396 558375248 /nfs/dbraw/zinc/37/52/48/558375248.db2.gz JVAMWLYMVROHGT-IBGZPJMESA-N 1 1 410.562 3.324 50 0 HGAAMO CCN(C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1)C(=O)c1n[nH]c2c1CCC2 ZINC000012306394 558375335 /nfs/dbraw/zinc/37/53/35/558375335.db2.gz JVAMWLYMVROHGT-LJQANCHMSA-N 1 1 410.562 3.324 50 0 HGAAMO COc1cccc(-c2nc3ccc(C(=O)NCC[N@H+]4CCCC[C@@H]4CO)cc3o2)c1 ZINC000012313938 558377558 /nfs/dbraw/zinc/37/75/58/558377558.db2.gz UWEQHSIJOBKSDC-GOSISDBHSA-N 1 1 409.486 3.080 50 0 HGAAMO COc1ccc(CNC(=O)CC[C@H]2CCC[N@@H+](Cc3ccc(CO)o3)C2)c(OC)c1 ZINC000012386028 558394708 /nfs/dbraw/zinc/39/47/08/558394708.db2.gz LBOSCTWNGUFEGM-QGZVFWFLSA-N 1 1 416.518 3.098 50 0 HGAAMO CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCCN(C(=O)CCn2cc[nH+]c2C)C1 ZINC000012434006 558407831 /nfs/dbraw/zinc/40/78/31/558407831.db2.gz VPMSJCFIOZATBY-HSZRJFAPSA-N 1 1 413.518 3.005 50 0 HGAAMO O=C(c1nc2sccn2c1C[N@H+]1CCCC[C@H]1CCn1cccn1)N1CCCC1 ZINC000012434158 558408078 /nfs/dbraw/zinc/40/80/78/558408078.db2.gz KWFUDVWGKXPWSZ-KRWDZBQOSA-N 1 1 412.563 3.273 50 0 HGAAMO O=C(c1nc2sccn2c1C[N@H+]1CCCC[C@@H]1CCn1cccn1)N1CCCC1 ZINC000012434157 558408152 /nfs/dbraw/zinc/40/81/52/558408152.db2.gz KWFUDVWGKXPWSZ-QGZVFWFLSA-N 1 1 412.563 3.273 50 0 HGAAMO COc1ccc(OC)c(CC(=O)N(C)[C@@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)c1 ZINC000012443672 558412980 /nfs/dbraw/zinc/41/29/80/558412980.db2.gz OIXXVLHBSKECFE-OAQYLSRUSA-N 1 1 408.542 3.337 50 0 HGAAMO COC(=O)c1ccc(C[N@H+]2CCC[C@H](CNC(=O)Cc3ccc(OC)cc3)C2)cc1 ZINC000012464014 558419948 /nfs/dbraw/zinc/41/99/48/558419948.db2.gz VKIPHTCAMKBSOV-HXUWFJFHSA-N 1 1 410.514 3.053 50 0 HGAAMO Cn1cc(C[NH2+]Cc2c(C(=O)N3CCCCCCC3)nc3ccc(Cl)cn32)cn1 ZINC000020914450 558422359 /nfs/dbraw/zinc/42/23/59/558422359.db2.gz SBAXEKKBMQNKQB-UHFFFAOYSA-N 1 1 414.941 3.417 50 0 HGAAMO Cc1ccc(C[N@@H+]2CCc3nnc([C@H](NC(=O)c4ccoc4)C(C)C)n3CC2)cc1 ZINC000020914933 558422645 /nfs/dbraw/zinc/42/26/45/558422645.db2.gz QDVAENFCTHNGKO-OAQYLSRUSA-N 1 1 407.518 3.365 50 0 HGAAMO Cc1nonc1CC(=O)N(C)C[C@@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000012476188 558422894 /nfs/dbraw/zinc/42/28/94/558422894.db2.gz JLEHXDYLJZJCPS-KRWDZBQOSA-N 1 1 424.467 3.352 50 0 HGAAMO COc1ccc(CC[N@@H+](C)[C@H]2CCCN(Cc3cccc4nonc43)C2)cc1OC ZINC000020995111 558426679 /nfs/dbraw/zinc/42/66/79/558426679.db2.gz GKNPARBTCOSPOR-IBGZPJMESA-N 1 1 410.518 3.379 50 0 HGAAMO O[C@@H](COc1ccccc1C[NH2+]CCCc1ccccc1)CN1CCSCC1 ZINC000012575425 558430660 /nfs/dbraw/zinc/43/06/60/558430660.db2.gz SGIXGVAAFZWPDJ-JOCHJYFZSA-N 1 1 400.588 3.198 50 0 HGAAMO Cc1nc(N2CCCC2)cc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)[nH+]1 ZINC000021793665 558449115 /nfs/dbraw/zinc/44/91/15/558449115.db2.gz GGDHDNARLZFINR-UHFFFAOYSA-N 1 1 419.451 3.366 50 0 HGAAMO CCN(C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1)C(=O)C1=C(C)OCCO1 ZINC000012715993 558455083 /nfs/dbraw/zinc/45/50/83/558455083.db2.gz QKAICAXVWIDWPR-HXUWFJFHSA-N 1 1 402.535 3.077 50 0 HGAAMO CCOC(=O)N1CCC(C(=O)Nc2nc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cs2)CC1 ZINC000022293458 558476722 /nfs/dbraw/zinc/47/67/22/558476722.db2.gz PIBGNJNPMFXVMC-GASCZTMLSA-N 1 1 408.568 3.428 50 0 HGAAMO CCOC(=O)N1CCC(C(=O)Nc2nc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cs2)CC1 ZINC000022293458 558476726 /nfs/dbraw/zinc/47/67/26/558476726.db2.gz PIBGNJNPMFXVMC-GASCZTMLSA-N 1 1 408.568 3.428 50 0 HGAAMO CCOC(=O)N1CCC(C(=O)Nc2nc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cs2)CC1 ZINC000022293462 558476782 /nfs/dbraw/zinc/47/67/82/558476782.db2.gz PIBGNJNPMFXVMC-GJZGRUSLSA-N 1 1 408.568 3.428 50 0 HGAAMO C[NH+]1CCN([C@H](CNC(=O)c2cc(-c3ccc(Cl)cc3)on2)c2ccco2)CC1 ZINC000022938350 558527519 /nfs/dbraw/zinc/52/75/19/558527519.db2.gz BZHROFVIGRQNMB-GOSISDBHSA-N 1 1 414.893 3.307 50 0 HGAAMO COc1ccc(C[N@H+]2CCCN(Cc3cc(=O)n4cc(Cl)ccc4n3)CC2)cc1 ZINC000023008240 558530125 /nfs/dbraw/zinc/53/01/25/558530125.db2.gz WDPDWEMJLURIRO-UHFFFAOYSA-N 1 1 412.921 3.064 50 0 HGAAMO O=c1c2c(ncn1Cc1ccccc1Cl)sc1c2CC[C@@H]([NH+]2CCOCC2)C1 ZINC000023129345 558536832 /nfs/dbraw/zinc/53/68/32/558536832.db2.gz VUSVDPQNXALZOR-OAHLLOKOSA-N 1 1 415.946 3.349 50 0 HGAAMO CN(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)Cc1coc(-c2cccs2)n1 ZINC000023865079 558578372 /nfs/dbraw/zinc/57/83/72/558578372.db2.gz UCXXMCSPVIBVIO-UHFFFAOYSA-N 1 1 410.543 3.179 50 0 HGAAMO O=C(c1cc(-c2cccnc2)nc2ccccc21)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000023882803 558580038 /nfs/dbraw/zinc/58/00/38/558580038.db2.gz ZQYRMILZAOFMPU-LJQANCHMSA-N 1 1 402.498 3.234 50 0 HGAAMO C[N@H+](CC(=O)N1CCN(c2ccccc2)CC1)Cc1ccccc1N1CCCCC1 ZINC000014070095 558617460 /nfs/dbraw/zinc/61/74/60/558617460.db2.gz KDVQEBAPOHESEH-UHFFFAOYSA-N 1 1 406.574 3.458 50 0 HGAAMO C[N@@H+](CC(=O)N1CCN(c2ccccc2)CC1)Cc1ccccc1N1CCCCC1 ZINC000014070095 558617463 /nfs/dbraw/zinc/61/74/63/558617463.db2.gz KDVQEBAPOHESEH-UHFFFAOYSA-N 1 1 406.574 3.458 50 0 HGAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1ccc(Cl)c(N2CCCC2=O)c1 ZINC000014083655 558618435 /nfs/dbraw/zinc/61/84/35/558618435.db2.gz IFGQVGVBDMSFBM-UHFFFAOYSA-N 1 1 419.953 3.232 50 0 HGAAMO C[C@H]1C[NH+](C(C)(C)CNC(=O)NCc2ccc(OC(F)(F)F)cc2)C[C@H](C)O1 ZINC000024970832 558623154 /nfs/dbraw/zinc/62/31/54/558623154.db2.gz KBUWGHGYYRLVIY-KBPBESRZSA-N 1 1 403.445 3.272 50 0 HGAAMO CCOC(=O)[C@H](c1ccc(Cl)cc1)N1CC[NH+](C[C@H](O)c2ccc(F)cc2)CC1 ZINC000025225679 558635053 /nfs/dbraw/zinc/63/50/53/558635053.db2.gz MSRZXJQDVOYUCA-SFTDATJTSA-N 1 1 420.912 3.435 50 0 HGAAMO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc1 ZINC000025415607 558640367 /nfs/dbraw/zinc/64/03/67/558640367.db2.gz KJRDZHYHOLSKGX-QGZVFWFLSA-N 1 1 421.419 3.004 50 0 HGAAMO COc1ccc([C@H]2CCC[N@H+]2CC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc1 ZINC000025415607 558640368 /nfs/dbraw/zinc/64/03/68/558640368.db2.gz KJRDZHYHOLSKGX-QGZVFWFLSA-N 1 1 421.419 3.004 50 0 HGAAMO CN(C)C(=O)CN(C)c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCCC3 ZINC000014251949 558650395 /nfs/dbraw/zinc/65/03/95/558650395.db2.gz DEFJIPNLJZEQKW-UHFFFAOYSA-N 1 1 401.580 3.080 50 0 HGAAMO CCCCNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)C[N@@H+](Cc2ccncc2)C1 ZINC000014534296 558657400 /nfs/dbraw/zinc/65/74/00/558657400.db2.gz WIIKSRNNBUXMCJ-RBUKOAKNSA-N 1 1 412.509 3.214 50 0 HGAAMO COc1cc(OC)cc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cnn(C(C)C)c3)C2)c1 ZINC000014955565 558682141 /nfs/dbraw/zinc/68/21/41/558682141.db2.gz XKKBQJCVAUIQJN-KRWDZBQOSA-N 1 1 400.523 3.123 50 0 HGAAMO COc1ccc(C[N@@H+]2CCc3nnc(CCc4ccccc4)n3CC2)c(OC)c1OC ZINC000014960549 558683879 /nfs/dbraw/zinc/68/38/79/558683879.db2.gz QHSNEUABAXCZCZ-UHFFFAOYSA-N 1 1 422.529 3.147 50 0 HGAAMO Cc1noc(C)c1CSc1ncccc1C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000028017727 558689658 /nfs/dbraw/zinc/68/96/58/558689658.db2.gz BZHRNDRKCPONGV-QGZVFWFLSA-N 1 1 418.563 3.065 50 0 HGAAMO O=c1c2c3c(sc2ncn1CCCc1ccccc1)C[C@@H]([NH+]1CCOCC1)CC3 ZINC000014995935 558696123 /nfs/dbraw/zinc/69/61/23/558696123.db2.gz YEXHKXDXTRMEIY-SFHVURJKSA-N 1 1 409.555 3.280 50 0 HGAAMO CC(C)c1c(C(=O)N2CC[NH+](C(C)C)CC2)cnn1-c1nccc(-c2ccco2)n1 ZINC000014997045 558696358 /nfs/dbraw/zinc/69/63/58/558696358.db2.gz WQWAVYCRVIIFGA-UHFFFAOYSA-N 1 1 408.506 3.212 50 0 HGAAMO O=C(CC1=CSC2=NCCN12)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(F)cc1)C2 ZINC000015063222 558705843 /nfs/dbraw/zinc/70/58/43/558705843.db2.gz PITXUUHWSSCJPL-QFIPXVFZSA-N 1 1 414.550 3.290 50 0 HGAAMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1nn(-c2ccccc2)c2c1CCC2 ZINC000028853159 558706118 /nfs/dbraw/zinc/70/61/18/558706118.db2.gz GKJCSYDDTORIQC-UHFFFAOYSA-N 1 1 416.525 3.123 50 0 HGAAMO CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)C[N@@H+](C)[C@@H]2CCc3ccccc32)cc1 ZINC000029488259 558715862 /nfs/dbraw/zinc/71/58/62/558715862.db2.gz VDKJESCCOWUKAG-OAQYLSRUSA-N 1 1 415.559 3.273 50 0 HGAAMO CCCCNC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2ccc(Br)cc2)CC1 ZINC000029927059 558724002 /nfs/dbraw/zinc/72/40/02/558724002.db2.gz NJOPBDILQCIDAK-CQSZACIVSA-N 1 1 410.356 3.404 50 0 HGAAMO CCS(=O)(=O)Nc1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc1C ZINC000072310090 558779649 /nfs/dbraw/zinc/77/96/49/558779649.db2.gz LZGBXHUVJREZET-HXUWFJFHSA-N 1 1 419.522 3.499 50 0 HGAAMO CCS(=O)(=O)Nc1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc1C ZINC000072310090 558779652 /nfs/dbraw/zinc/77/96/52/558779652.db2.gz LZGBXHUVJREZET-HXUWFJFHSA-N 1 1 419.522 3.499 50 0 HGAAMO CC[NH+]1CCN(C(=O)c2cnn3c2N[C@@H](c2ccccc2)C[C@@H]3C(F)(F)F)CC1 ZINC000035805459 558795264 /nfs/dbraw/zinc/79/52/64/558795264.db2.gz UUIMAYFLCRSSSC-IAGOWNOFSA-N 1 1 407.440 3.321 50 0 HGAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)N(Cc1ccco1)CC(F)(F)F ZINC000016699025 558801340 /nfs/dbraw/zinc/80/13/40/558801340.db2.gz PRSARNVVZSPZAC-HNNXBMFYSA-N 1 1 421.423 3.444 50 0 HGAAMO COc1cc(OC)c(CN2CC[N@@H+](CC3CCCCC3)[C@H](CCO)C2)c(OC)c1 ZINC000039394860 558820872 /nfs/dbraw/zinc/82/08/72/558820872.db2.gz BPVSHKNEWYZKEU-LJQANCHMSA-N 1 1 406.567 3.161 50 0 HGAAMO CCCCc1ncc(CN2CCC([NH+]3CCC(C(=O)N4CCCC4)CC3)CC2)[nH]1 ZINC000039430380 558821067 /nfs/dbraw/zinc/82/10/67/558821067.db2.gz OHIXTRZWSKRVGS-UHFFFAOYSA-N 1 1 401.599 3.051 50 0 HGAAMO COc1cccc2ccc(CN3CC[N@@H+](CCc4ccccc4)[C@H](CCO)C3)nc21 ZINC000039537967 558822285 /nfs/dbraw/zinc/82/22/85/558822285.db2.gz WUINPJBDPAYTCV-HSZRJFAPSA-N 1 1 405.542 3.355 50 0 HGAAMO C[N@H+]1CCN(c2nc3nonc3nc2NCc2cccs2)C[C@@H]1c1ccccc1 ZINC000019225034 558852580 /nfs/dbraw/zinc/85/25/80/558852580.db2.gz SHQWERWRLIPDQT-MRXNPFEDSA-N 1 1 407.503 3.180 50 0 HGAAMO O=c1oc2c(ccc3c2CN(CCC[NH+]2CCOCC2)CO3)cc1-c1ccccc1 ZINC000013723254 558859167 /nfs/dbraw/zinc/85/91/67/558859167.db2.gz VHSIOFQPANJZAF-UHFFFAOYSA-N 1 1 406.482 3.334 50 0 HGAAMO Cc1ccc(CN2CC[N@@H+](Cc3c(C)cc(C)cc3-n3cccn3)C[C@@H]2CCO)o1 ZINC000019335695 558869880 /nfs/dbraw/zinc/86/98/80/558869880.db2.gz FDXXOIXYUWAKOP-NRFANRHFSA-N 1 1 408.546 3.459 50 0 HGAAMO COc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)c3cc(C(C)C)on3)C2)CC1 ZINC000055131362 558873549 /nfs/dbraw/zinc/87/35/49/558873549.db2.gz KTFRWUHGGHLUKG-GOSISDBHSA-N 1 1 412.534 3.233 50 0 HGAAMO CCc1nc2cccnc2n1CC[NH+]1CCN(C(=O)Nc2ccc(CC)cc2)CC1 ZINC000033139806 558891667 /nfs/dbraw/zinc/89/16/67/558891667.db2.gz MRJIKEOJFFLWCP-UHFFFAOYSA-N 1 1 406.534 3.406 50 0 HGAAMO CC[N@H+]1CCC[C@H](CNc2cnn(-c3ccc(C(F)(F)F)cn3)c(=O)c2Cl)C1 ZINC000058060274 558897359 /nfs/dbraw/zinc/89/73/59/558897359.db2.gz CJLSHKZPIFHVJV-GFCCVEGCSA-N 1 1 415.847 3.444 50 0 HGAAMO CCC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCCC2)c1 ZINC000058062866 558897581 /nfs/dbraw/zinc/89/75/81/558897581.db2.gz LJRWWZRLFBJOTH-SFHVURJKSA-N 1 1 423.579 3.073 50 0 HGAAMO O=C(CCCNC(=O)NC1CCCCC1)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000058131125 558900627 /nfs/dbraw/zinc/90/06/27/558900627.db2.gz QVONLLHHKGKQGA-NRFANRHFSA-N 1 1 414.594 3.427 50 0 HGAAMO COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(C[NH+]3CCCCCC3)C2=O)cc1 ZINC000058171366 558908129 /nfs/dbraw/zinc/90/81/29/558908129.db2.gz OEGVJTWXKRTTFW-UHFFFAOYSA-N 1 1 423.513 3.333 50 0 HGAAMO COc1ncccc1C(=O)N1CCC[C@@H]([NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000061969759 558947647 /nfs/dbraw/zinc/94/76/47/558947647.db2.gz CAHVRGSXDWHWQZ-LJQANCHMSA-N 1 1 414.937 3.170 50 0 HGAAMO Cc1ccc(NC(=O)c2nnc(C(=O)NCCC[N@H+](C)C3CCCCC3)s2)cc1 ZINC000033061073 558954944 /nfs/dbraw/zinc/95/49/44/558954944.db2.gz SQQGFGKRYMDCIJ-UHFFFAOYSA-N 1 1 415.563 3.483 50 0 HGAAMO Cc1sc(-c2nc(-c3ccccc3)no2)cc1S(=O)(=O)NCC[NH+]1CCCC1 ZINC000064450497 558963654 /nfs/dbraw/zinc/96/36/54/558963654.db2.gz KMFOMTOPIMIXKK-UHFFFAOYSA-N 1 1 418.544 3.148 50 0 HGAAMO COC(=O)[C@@H]1C(=O)O[C@]2(C)C[N@H+](Cc3ccccc3)[C@H](c3ccccc3OC)C[C@H]12 ZINC000096602163 558981348 /nfs/dbraw/zinc/98/13/48/558981348.db2.gz HEUNBANUVDXSGE-RRZZWSPOSA-N 1 1 409.482 3.363 50 0 HGAAMO O=C1OCCN1CC[NH+]1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000096834799 558993883 /nfs/dbraw/zinc/99/38/83/558993883.db2.gz XZQYKJBBNVXDOV-UHFFFAOYSA-N 1 1 401.457 3.124 50 0 HGAAMO CC(C)c1ccccc1OCCOC[C@@H](O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000022466191 558996212 /nfs/dbraw/zinc/99/62/12/558996212.db2.gz LXIYMAKOXMFZHV-QHCPKHFHSA-N 1 1 412.574 3.384 50 0 HGAAMO O=C(NCc1ccccn1)[C@@H]1CCC[N@H+](C2CCN(Cc3ccc(F)cc3)CC2)C1 ZINC000082097353 559037539 /nfs/dbraw/zinc/03/75/39/559037539.db2.gz MXIBXDQPBGXUDF-HXUWFJFHSA-N 1 1 410.537 3.214 50 0 HGAAMO Cc1ccsc1CN1CCC([N@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082099585 559038107 /nfs/dbraw/zinc/03/81/07/559038107.db2.gz XEYFGXJMIIGUHK-LJQANCHMSA-N 1 1 412.603 3.444 50 0 HGAAMO Cc1cccc(CNC(=O)[C@H]2CCC[N@H+](C3CCN(Cc4cccnc4)CC3)C2)c1 ZINC000082120091 559039156 /nfs/dbraw/zinc/03/91/56/559039156.db2.gz SRYAYSGXHKBOOZ-QHCPKHFHSA-N 1 1 406.574 3.383 50 0 HGAAMO CCc1ccccc1OCC[N@H+]1CC[C@@]2(O)CCN(C(=O)C3CCCC3)C[C@H]2C1 ZINC000095384428 559080712 /nfs/dbraw/zinc/08/07/12/559080712.db2.gz IRYXXAUURUUMOY-ZJSXRUAMSA-N 1 1 400.563 3.103 50 0 HGAAMO O=C(NCC1(c2cccc(F)c2)CCOCC1)[C@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000095512923 559084469 /nfs/dbraw/zinc/08/44/69/559084469.db2.gz VCNQOTOPTWYLKS-SFHVURJKSA-N 1 1 400.494 3.495 50 0 HGAAMO O=C(C1CC1)N1CCc2[nH]cnc2C12CC[NH+](Cc1ccc(F)cc1Cl)CC2 ZINC000095524205 559085863 /nfs/dbraw/zinc/08/58/63/559085863.db2.gz RRDXOVVEXWOUSF-UHFFFAOYSA-N 1 1 402.901 3.488 50 0 HGAAMO Cc1cccc(C)c1NC(=O)CN1CCN(c2cc(C(C)C)[nH+]c(N(C)C)n2)CC1 ZINC000072301781 559120901 /nfs/dbraw/zinc/12/09/01/559120901.db2.gz FLIOCGQNKACWCG-UHFFFAOYSA-N 1 1 410.566 3.044 50 0 HGAAMO O=C([C@H]([NH2+]Cc1ccccc1CN1CCOCC1)c1ccccc1)N1CCCCC1 ZINC000084519413 559153343 /nfs/dbraw/zinc/15/33/43/559153343.db2.gz CRYPOTPDKSABGQ-XMMPIXPASA-N 1 1 407.558 3.362 50 0 HGAAMO Cc1cnc2ccccc2c1NC(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000408519074 559213697 /nfs/dbraw/zinc/21/36/97/559213697.db2.gz WWXYVICLEYFOKJ-FQEVSTJZSA-N 1 1 404.514 3.244 50 0 HGAAMO CCCC[N@@H+](CCCNC(=O)Cn1ncc2ccsc2c1=O)Cc1ccccc1 ZINC000005036011 559232385 /nfs/dbraw/zinc/23/23/85/559232385.db2.gz HZRSUBKAEZCLGC-UHFFFAOYSA-N 1 1 412.559 3.267 50 0 HGAAMO CC(C)CCN1[NH+]=C(C(C)(C)C)Cn2c3c(nc21)n(C)c(=O)n(CCC(C)C)c3=O ZINC000005148197 559252982 /nfs/dbraw/zinc/25/29/82/559252982.db2.gz ARWCTYIWDNPHSC-UHFFFAOYSA-N 1 1 416.570 3.211 50 0 HGAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@H]2CCC[N@@H+]21 ZINC000247939461 559255996 /nfs/dbraw/zinc/25/59/96/559255996.db2.gz UGLPDDLJAMAXJN-SCYDXJQRSA-N 1 1 421.884 3.080 50 0 HGAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000247939461 559255997 /nfs/dbraw/zinc/25/59/97/559255997.db2.gz UGLPDDLJAMAXJN-SCYDXJQRSA-N 1 1 421.884 3.080 50 0 HGAAMO COc1cc([C@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)N2CCCCC2)ccc1O ZINC000016031703 560654761 /nfs/dbraw/zinc/65/47/61/560654761.db2.gz WTNJGYFYMAQZAK-YFXJRYMSSA-N 1 1 402.535 3.081 50 0 biogenic HGAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1 ZINC000248114672 560855007 /nfs/dbraw/zinc/85/50/07/560855007.db2.gz RVSLLEQIYSTXSK-CTNGQTDRSA-N 1 1 407.562 3.351 50 0 HGAAMO CCN([C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc2c(c1)C(=O)OC2 ZINC000106132602 560884834 /nfs/dbraw/zinc/88/48/34/560884834.db2.gz ZRNZAWGGLVDCSL-APWZRJJASA-N 1 1 414.527 3.203 50 0 HGAAMO Cc1nccn1-c1ccc(NC(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)cn1 ZINC000047275915 560886018 /nfs/dbraw/zinc/88/60/18/560886018.db2.gz RIWOITLIMHWWBS-IRXDYDNUSA-N 1 1 405.502 3.437 50 0 HGAAMO Cc1ccc(NC(=O)c2c(=O)n(-c3ccc(C)cc3)[n-][n+]2CC[NH+]2CCCCC2)cc1 ZINC000025182929 560891339 /nfs/dbraw/zinc/89/13/39/560891339.db2.gz JZRRYWXPIHTOBK-UHFFFAOYSA-O 1 1 420.537 3.220 50 0 HGAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000106535553 560892358 /nfs/dbraw/zinc/89/23/58/560892358.db2.gz OIQLTZDNZIKXLG-FXKZBUDASA-N 1 1 421.884 3.080 50 0 HGAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000106535553 560892360 /nfs/dbraw/zinc/89/23/60/560892360.db2.gz OIQLTZDNZIKXLG-FXKZBUDASA-N 1 1 421.884 3.080 50 0 HGAAMO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+]([C@H](C)C(=O)NCc2ccc(C)cc2)C1 ZINC000106920684 560894533 /nfs/dbraw/zinc/89/45/33/560894533.db2.gz YAYOMZWHQGTVCH-AEFFLSMTSA-N 1 1 413.484 3.123 50 0 HGAAMO CCOc1ccc(C[N@H+](CCOC)Cc2cc(=O)n3nc(C(C)C)sc3n2)cc1 ZINC000046032494 568424752 /nfs/dbraw/zinc/42/47/52/568424752.db2.gz AXDQVGITIZSSKW-UHFFFAOYSA-N 1 1 416.547 3.322 50 0 HGAAMO CCOc1ccc(C[N@@H+](CCOC)Cc2cc(=O)n3nc(C(C)C)sc3n2)cc1 ZINC000046032494 568424753 /nfs/dbraw/zinc/42/47/53/568424753.db2.gz AXDQVGITIZSSKW-UHFFFAOYSA-N 1 1 416.547 3.322 50 0 HGAAMO C[NH+](C)[C@H](CNC(=O)Nc1ccc(-n2cncn2)cc1C(F)(F)F)c1ccco1 ZINC000047673504 568430765 /nfs/dbraw/zinc/43/07/65/568430765.db2.gz PIRVOWUKQPCKGT-OAHLLOKOSA-N 1 1 408.384 3.304 50 0 HGAAMO C[N@@H+]1CCN(C(=O)CNC(=O)Cc2cccc3ccccc32)[C@@H](c2ccccc2)C1 ZINC000048300875 568437403 /nfs/dbraw/zinc/43/74/03/568437403.db2.gz MLSOYWLGDOENTN-HSZRJFAPSA-N 1 1 401.510 3.014 50 0 HGAAMO C[N@H+]1CCN(C(=O)CNC(=O)Cc2cccc3ccccc32)[C@@H](c2ccccc2)C1 ZINC000048300875 568437405 /nfs/dbraw/zinc/43/74/05/568437405.db2.gz MLSOYWLGDOENTN-HSZRJFAPSA-N 1 1 401.510 3.014 50 0 HGAAMO CCOC(=O)c1cc2cc(NC(=O)NCC(C)(C)[NH+]3CCN(C)CC3)ccc2s1 ZINC000048332685 568439330 /nfs/dbraw/zinc/43/93/30/568439330.db2.gz ZTHIQXDAOWOMCO-UHFFFAOYSA-N 1 1 418.563 3.226 50 0 HGAAMO COc1ccccc1N(CCC(N)=O)C(=O)C[N@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000048362342 568441633 /nfs/dbraw/zinc/44/16/33/568441633.db2.gz BEENQSLUEJMGCT-HXUWFJFHSA-N 1 1 409.530 3.001 50 0 HGAAMO COc1cc(NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)c(OC)cc1Cl ZINC000020227961 568595269 /nfs/dbraw/zinc/59/52/69/568595269.db2.gz PHZSFNXMBGTABE-UHFFFAOYSA-N 1 1 403.910 3.114 50 0 HGAAMO Cc1oc(-c2ccc(Cl)cc2)nc1CSCC(=O)NCCC[NH+]1CCOCC1 ZINC000020241145 568595945 /nfs/dbraw/zinc/59/59/45/568595945.db2.gz MLHOEKWSIPZWRJ-UHFFFAOYSA-N 1 1 423.966 3.375 50 0 HGAAMO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000095428338 568608276 /nfs/dbraw/zinc/60/82/76/568608276.db2.gz XGOSXZDPRLMINA-AWEZNQCLSA-N 1 1 409.889 3.409 50 0 HGAAMO CCCC[N@@H+](C)CCCNC(=O)CCn1nc(-c2ccc(Cl)cc2)ccc1=O ZINC000020724601 568640697 /nfs/dbraw/zinc/64/06/97/568640697.db2.gz RZFOBTLYKPVVOQ-UHFFFAOYSA-N 1 1 404.942 3.192 50 0 HGAAMO Cc1ccccc1C[NH+]1CCN(C(=O)CN2c3ccccc3C(C)(C)CC2=O)CC1 ZINC000096183182 568702878 /nfs/dbraw/zinc/70/28/78/568702878.db2.gz WEKFSQSLXOZLHQ-UHFFFAOYSA-N 1 1 405.542 3.354 50 0 HGAAMO Cc1c(C)c(=O)oc2cc(OCC(=O)N3CC[NH+](Cc4ccccc4)CC3)ccc12 ZINC000021539677 568713179 /nfs/dbraw/zinc/71/31/79/568713179.db2.gz LUCSJALGPGXDFH-UHFFFAOYSA-N 1 1 406.482 3.133 50 0 HGAAMO CCOC(=O)c1cnn(-c2cccc(NC(=O)N[C@H]3CC[N@H+]4CCCC[C@@H]34)c2)c1C ZINC000229757255 568715183 /nfs/dbraw/zinc/71/51/83/568715183.db2.gz NGKRZSJVLWQIOY-PMACEKPBSA-N 1 1 411.506 3.106 50 0 HGAAMO O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)NC[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000096343562 568737037 /nfs/dbraw/zinc/73/70/37/568737037.db2.gz FSFQLCYXLPWMPS-IIBYNOLFSA-N 1 1 410.514 3.041 50 0 HGAAMO CCOC(=O)C1C(C[NH2+][C@@H](C)CCc2ccccc2)=NC(=O)N[C@H]1c1ccccc1 ZINC000085993824 568745030 /nfs/dbraw/zinc/74/50/30/568745030.db2.gz SLDFDPJKNPNUES-JTSKRJEESA-N 1 1 407.514 3.469 50 0 HGAAMO Cc1ccc([C@H](CNC(=O)COc2cc(C)c(Cl)c(C)c2)N2CC[NH+](C)CC2)o1 ZINC000028405135 568784734 /nfs/dbraw/zinc/78/47/34/568784734.db2.gz FOEPINCQCSOGFI-IBGZPJMESA-N 1 1 419.953 3.342 50 0 HGAAMO Cc1ccc(-c2ccc(=O)n(CCC(=O)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)n2)cc1 ZINC000002941006 568819144 /nfs/dbraw/zinc/81/91/44/568819144.db2.gz OICDNJWGIQWFAU-BGYRXZFFSA-N 1 1 410.562 3.093 50 0 HGAAMO CCOC(=O)C1=C(C[N@H+](C)Cc2ccccc2)NC(=O)N[C@@H]1c1ccccc1OCC ZINC000057415801 568834149 /nfs/dbraw/zinc/83/41/49/568834149.db2.gz JGENPMUCKBFAIP-JOCHJYFZSA-N 1 1 423.513 3.388 50 0 HGAAMO CCOC(=O)C1=C(C[N@@H+](C)Cc2ccccc2)NC(=O)N[C@@H]1c1ccccc1OCC ZINC000057415801 568834152 /nfs/dbraw/zinc/83/41/52/568834152.db2.gz JGENPMUCKBFAIP-JOCHJYFZSA-N 1 1 423.513 3.388 50 0 HGAAMO O=C(CC[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)CC[C@H]1N1CCOCC1)N1CCCC1 ZINC000299757085 568873015 /nfs/dbraw/zinc/87/30/15/568873015.db2.gz MMKHRGRVXVWTHB-RBBKRZOGSA-N 1 1 419.997 3.265 50 0 HGAAMO O=C(CC[C@H]1CN(Cc2ccc(Cl)cc2)CC[C@H]1[NH+]1CCOCC1)N1CCCC1 ZINC000299757085 568873016 /nfs/dbraw/zinc/87/30/16/568873016.db2.gz MMKHRGRVXVWTHB-RBBKRZOGSA-N 1 1 419.997 3.265 50 0 HGAAMO O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1ccc2c(c1)OCO2)NCc1ccccc1 ZINC000504517408 568883489 /nfs/dbraw/zinc/88/34/89/568883489.db2.gz OAPSQBRBZODEOZ-KSNOWIBYSA-N 1 1 422.525 3.400 50 0 biogenic HGAAMO O=C(C[N@H+]1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1ccc2c(c1)OCO2)NCc1ccccc1 ZINC000504517408 568883491 /nfs/dbraw/zinc/88/34/91/568883491.db2.gz OAPSQBRBZODEOZ-KSNOWIBYSA-N 1 1 422.525 3.400 50 0 biogenic HGAAMO CCOC(=O)C1=C(C[NH+]2CCC(Cc3ccccc3)CC2)NC(=O)N[C@@H]1c1ccco1 ZINC000015377530 568884427 /nfs/dbraw/zinc/88/44/27/568884427.db2.gz MTUNGJAWFJUHFC-JOCHJYFZSA-N 1 1 423.513 3.405 50 0 HGAAMO O=C(CN1CC[NH+](CCOc2ccc3ccccc3c2)CC1)N1CCc2ccccc21 ZINC000052928738 568913910 /nfs/dbraw/zinc/91/39/10/568913910.db2.gz GUCUJDFDYSXAPU-UHFFFAOYSA-N 1 1 415.537 3.426 50 0 HGAAMO C[N@@H+](CCC(=O)NC(=O)NCc1ccccc1)Cc1ccccc1OC(F)(F)F ZINC000012736533 568925554 /nfs/dbraw/zinc/92/55/54/568925554.db2.gz CHKHLSQNIBFAJS-UHFFFAOYSA-N 1 1 409.408 3.433 50 0 HGAAMO C[C@@H]1C[N@H+](CCC(=O)NC[C@H](c2cccnc2)N2CCCCC2)Cc2ccccc2O1 ZINC000011842024 568987206 /nfs/dbraw/zinc/98/72/06/568987206.db2.gz FGSJMNRARDTAIL-NFBKMPQASA-N 1 1 422.573 3.398 50 0 HGAAMO C[C@@H]1C[N@@H+](CCC(=O)NC[C@H](c2cccnc2)N2CCCCC2)Cc2ccccc2O1 ZINC000011842024 568987207 /nfs/dbraw/zinc/98/72/07/568987207.db2.gz FGSJMNRARDTAIL-NFBKMPQASA-N 1 1 422.573 3.398 50 0 HGAAMO C[C@H](NC(=O)c1ccco1)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020668259 569008061 /nfs/dbraw/zinc/00/80/61/569008061.db2.gz KEMQXXLYVNUAAE-IBGZPJMESA-N 1 1 417.509 3.332 50 0 HGAAMO COc1ccc(C[N@H+]2CCN(Cc3cccn3-c3cccnc3)C[C@H]2CCO)cc1C ZINC000104319553 569008242 /nfs/dbraw/zinc/00/82/42/569008242.db2.gz SZXXILOMQZVZDN-HSZRJFAPSA-N 1 1 420.557 3.258 50 0 HGAAMO COc1cc(CN2CC[N@@H+](Cc3ccccc3C)[C@H](CCO)C2)cc(OC)c1OC ZINC000104415456 569008641 /nfs/dbraw/zinc/00/86/41/569008641.db2.gz FJMWVTHKRMVVLX-OAQYLSRUSA-N 1 1 414.546 3.090 50 0 HGAAMO C[C@H]1CC(=O)Nc2ccccc2N1C(=O)C[N@H+](C)CCOc1cccc(Cl)c1 ZINC000012857383 569011246 /nfs/dbraw/zinc/01/12/46/569011246.db2.gz VPIJQKMNDCXPOJ-HNNXBMFYSA-N 1 1 401.894 3.415 50 0 HGAAMO C[C@H]1CC(=O)Nc2ccccc2N1C(=O)C[N@@H+](C)CCOc1cccc(Cl)c1 ZINC000012857383 569011247 /nfs/dbraw/zinc/01/12/47/569011247.db2.gz VPIJQKMNDCXPOJ-HNNXBMFYSA-N 1 1 401.894 3.415 50 0 HGAAMO C[C@H](NC(=O)Cc1cccc2ccccc21)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012911161 569021992 /nfs/dbraw/zinc/02/19/92/569021992.db2.gz VYPXAWNMLXUKFI-FQEVSTJZSA-N 1 1 415.537 3.231 50 0 HGAAMO COc1ccc([C@H]([NH2+]CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c2ccccc2)cc1 ZINC000053517369 569031202 /nfs/dbraw/zinc/03/12/02/569031202.db2.gz COGBXHHBFDGVEV-JOCHJYFZSA-N 1 1 402.454 3.183 50 0 HGAAMO CCCCCNC(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccc2c(c1)OCO2 ZINC000006264169 569036199 /nfs/dbraw/zinc/03/61/99/569036199.db2.gz XFEVYGOFGKAHNI-LEOXJPRUSA-N 1 1 402.535 3.390 50 0 biogenic HGAAMO CCCCCNC(=O)C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccc2c(c1)OCO2 ZINC000006264169 569036200 /nfs/dbraw/zinc/03/62/00/569036200.db2.gz XFEVYGOFGKAHNI-LEOXJPRUSA-N 1 1 402.535 3.390 50 0 biogenic HGAAMO Cc1[nH+]ccn1C[C@H](C)C(=O)NCc1nc2cccnc2n1Cc1ccc(C)cc1 ZINC000035510793 569042967 /nfs/dbraw/zinc/04/29/67/569042967.db2.gz YZPYCKQPFHTCPX-KRWDZBQOSA-N 1 1 402.502 3.245 50 0 HGAAMO Cc1nccn1-c1cc(CNC(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)ccn1 ZINC000053397894 569052781 /nfs/dbraw/zinc/05/27/81/569052781.db2.gz AMKSWGYLQAAAKA-ROUUACIJSA-N 1 1 419.529 3.115 50 0 HGAAMO Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@@H+]4[C@@]4(C(=O)Nc5c4cccc5Cl)[C@H]3C2=O)cc1 ZINC000248097252 569057589 /nfs/dbraw/zinc/05/75/89/569057589.db2.gz IPEAJXZTUBESII-PMECCGAFSA-N 1 1 421.884 3.080 50 0 HGAAMO Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@H+]4[C@@]4(C(=O)Nc5c4cccc5Cl)[C@H]3C2=O)cc1 ZINC000248097252 569057590 /nfs/dbraw/zinc/05/75/90/569057590.db2.gz IPEAJXZTUBESII-PMECCGAFSA-N 1 1 421.884 3.080 50 0 HGAAMO CCc1ccc(CN2CCc3c(C(=O)NC[C@H]4CCCC[N@H+]4C)csc3C2)nc1 ZINC000426440212 569073115 /nfs/dbraw/zinc/07/31/15/569073115.db2.gz COSWIGQYBGTZST-LJQANCHMSA-N 1 1 412.603 3.478 50 0 HGAAMO CCc1nc2ccccc2c(N(CCC(=O)N2CC[NH+](CC)CC2)Cc2ccco2)n1 ZINC000036008198 569076293 /nfs/dbraw/zinc/07/62/93/569076293.db2.gz QLTXEMCZYINBDK-UHFFFAOYSA-N 1 1 421.545 3.346 50 0 HGAAMO COCCC[N@H+](Cc1cccc(OC)c1OC)C[C@@H](O)COc1ccccc1C ZINC000036097186 569090256 /nfs/dbraw/zinc/09/02/56/569090256.db2.gz CYWOPNCPYMMIBG-HXUWFJFHSA-N 1 1 403.519 3.291 50 0 HGAAMO Cc1ccc(Cc2nc(-c3nn(CC[NH+]4CCOCC4)c4ccccc43)no2)cc1 ZINC000064761081 569091229 /nfs/dbraw/zinc/09/12/29/569091229.db2.gz LMICWYPAQRMZQQ-UHFFFAOYSA-N 1 1 403.486 3.318 50 0 HGAAMO COC[C@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2F)=NO1 ZINC000036146662 569098759 /nfs/dbraw/zinc/09/87/59/569098759.db2.gz RDOBANNLIZKTNV-MSOLQXFVSA-N 1 1 406.885 3.482 50 0 HGAAMO COc1cccc(C[N@@H+]2CC=C(C(=O)N3CCN(c4cccc(C)c4)CC3)CC2)c1 ZINC000064818003 569101275 /nfs/dbraw/zinc/10/12/75/569101275.db2.gz BWVINWWBDHYSBF-UHFFFAOYSA-N 1 1 405.542 3.485 50 0 HGAAMO CC1CCN(C(=O)[C@@H](C2CCCC2)[NH+]2CCN(C(=O)c3ccc(F)cc3)CC2)CC1 ZINC000036250408 569119284 /nfs/dbraw/zinc/11/92/84/569119284.db2.gz BJEJYONALJGXGH-JOCHJYFZSA-N 1 1 415.553 3.401 50 0 HGAAMO COc1ccc(C[N@@H+](C[C@@H](O)COc2ccccc2)C[C@@H]2CCCO2)cc1OC ZINC000169679579 569126866 /nfs/dbraw/zinc/12/68/66/569126866.db2.gz NOVNBTNIEHSDQI-CTNGQTDRSA-N 1 1 401.503 3.125 50 0 HGAAMO Cc1ccc(C2=NN(C(=O)C[NH+]3CCC(C(N)=O)CC3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000036343063 569142179 /nfs/dbraw/zinc/14/21/79/569142179.db2.gz WBLXJFIYVROAHO-QHCPKHFHSA-N 1 1 418.541 3.178 50 0 HGAAMO COc1ccc([C@@H]2CC(c3ccccc3OC)=NN2C(=O)C[NH+]2CCCC2)c(OC)c1 ZINC000036344474 569142697 /nfs/dbraw/zinc/14/26/97/569142697.db2.gz XVZXLODUXOEPBJ-NRFANRHFSA-N 1 1 423.513 3.486 50 0 HGAAMO CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000006887843 569171422 /nfs/dbraw/zinc/17/14/22/569171422.db2.gz VFEVSVKKSWAYIH-UHFFFAOYSA-N 1 1 405.520 3.205 50 0 HGAAMO CC1CC[NH+](Cc2csc(N3CCN(C(=O)c4ccc(F)cc4)CC3)n2)CC1 ZINC000065200242 569193674 /nfs/dbraw/zinc/19/36/74/569193674.db2.gz KQOFKCSTUIZLHU-UHFFFAOYSA-N 1 1 402.539 3.477 50 0 HGAAMO CCS(=O)(=O)N1CCC(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)CC1 ZINC000036686621 569220404 /nfs/dbraw/zinc/22/04/04/569220404.db2.gz ZKEZKRZERTWFAN-UHFFFAOYSA-N 1 1 421.607 3.451 50 0 HGAAMO COCC[N@H+]1CC[C@@H](CNC(=O)C2(c3ccc(Br)cc3)CCCC2)C1 ZINC000065505303 569232985 /nfs/dbraw/zinc/23/29/85/569232985.db2.gz HVCHBEIWSQJAKX-INIZCTEOSA-N 1 1 409.368 3.345 50 0 HGAAMO O=C(C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)Nc1ccc(N2CCCC2=O)cc1 ZINC000007362410 569235390 /nfs/dbraw/zinc/23/53/90/569235390.db2.gz NYXVCTCYKUHTJS-HXUWFJFHSA-N 1 1 421.497 3.360 50 0 HGAAMO O=C(C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)Nc1ccc(N2CCCC2=O)cc1 ZINC000007362410 569235392 /nfs/dbraw/zinc/23/53/92/569235392.db2.gz NYXVCTCYKUHTJS-HXUWFJFHSA-N 1 1 421.497 3.360 50 0 HGAAMO CC1(C)Oc2ccc(NC(=O)NCc3ccccc3C[N@H+]3CCC[C@H]3CO)cc2O1 ZINC000170593779 569241315 /nfs/dbraw/zinc/24/13/15/569241315.db2.gz ATBQFAWLARIERC-IBGZPJMESA-N 1 1 411.502 3.472 50 0 HGAAMO C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1CC(=O)NCC1(c2ccccc2)CCC1 ZINC000089920317 569268841 /nfs/dbraw/zinc/26/88/41/569268841.db2.gz DRKLJUVPZCDKQZ-RTBURBONSA-N 1 1 415.578 3.460 50 0 HGAAMO C[NH+](C)[C@@H](CNC(=O)c1ccc2c(c1)nc1n(c2=O)CCC1)c1ccccc1Cl ZINC000027104103 569277992 /nfs/dbraw/zinc/27/79/92/569277992.db2.gz IVKKGAONKCZXSI-IBGZPJMESA-N 1 1 410.905 3.029 50 0 HGAAMO CCOCCC[N@H+]1CC[C@H](N2C(=O)CN(Cc3ccc(Cl)cc3)C2=O)[C@@H](C)C1 ZINC000252551325 569294146 /nfs/dbraw/zinc/29/41/46/569294146.db2.gz UCENJBIKSGKDRS-LPHOPBHVSA-N 1 1 407.942 3.241 50 0 HGAAMO COc1ccc(-c2cc(C(=O)NC[C@H]3CCC[N@H+]4CCCC[C@@H]34)n(C)n2)cc1OC ZINC000252569037 569294272 /nfs/dbraw/zinc/29/42/72/569294272.db2.gz VUVUAKGBDKCXAB-MJGOQNOKSA-N 1 1 412.534 3.099 50 0 HGAAMO COc1ccc(-c2cc(C(=O)NC[C@H]3CCC[N@H+]4CCCC[C@H]34)n(C)n2)cc1OC ZINC000252569036 569294300 /nfs/dbraw/zinc/29/43/00/569294300.db2.gz VUVUAKGBDKCXAB-IEBWSBKVSA-N 1 1 412.534 3.099 50 0 HGAAMO COc1ccc(Br)cc1C[N@H+](C)CCN1C(=O)c2ccccc2C1=O ZINC000007696645 569301053 /nfs/dbraw/zinc/30/10/53/569301053.db2.gz GWLOTBXQPCKCNY-UHFFFAOYSA-N 1 1 403.276 3.186 50 0 HGAAMO COc1ccc(Br)cc1C[N@@H+](C)CCN1C(=O)c2ccccc2C1=O ZINC000007696645 569301055 /nfs/dbraw/zinc/30/10/55/569301055.db2.gz GWLOTBXQPCKCNY-UHFFFAOYSA-N 1 1 403.276 3.186 50 0 HGAAMO CC(C)C[NH+]1CCN([C@H]2CCOC3(CCN(C(=O)C4CCCCC4)CC3)C2)CC1 ZINC000581820221 569321091 /nfs/dbraw/zinc/32/10/91/569321091.db2.gz YRYGBGZIWBKZAT-QFIPXVFZSA-N 1 1 405.627 3.381 50 0 HGAAMO O=C(NC[C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccccc1-n1cnc2ccccc2c1=O ZINC000253402067 569365751 /nfs/dbraw/zinc/36/57/51/569365751.db2.gz FZXYMWKDMRGFDF-XMSQKQJNSA-N 1 1 416.525 3.380 50 0 biogenic HGAAMO COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)C[N@@H+]1CCCC(C)(C)C1 ZINC000002293352 569369278 /nfs/dbraw/zinc/36/92/78/569369278.db2.gz BRHJWQOQOHEDBZ-UHFFFAOYSA-N 1 1 403.479 3.032 50 0 HGAAMO COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)C[N@H+]1CCCC(C)(C)C1 ZINC000002293352 569369279 /nfs/dbraw/zinc/36/92/79/569369279.db2.gz BRHJWQOQOHEDBZ-UHFFFAOYSA-N 1 1 403.479 3.032 50 0 HGAAMO C[C@@H](C(=O)NCc1ccc(F)cc1)[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000027543632 569371959 /nfs/dbraw/zinc/37/19/59/569371959.db2.gz NJFUFISCOLQYIF-HNNXBMFYSA-N 1 1 424.442 3.457 50 0 HGAAMO C[C@@H](C(=O)NCc1ccc(F)cc1)[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000027543632 569371960 /nfs/dbraw/zinc/37/19/60/569371960.db2.gz NJFUFISCOLQYIF-HNNXBMFYSA-N 1 1 424.442 3.457 50 0 HGAAMO CCOC(=O)C1=C(C[N@@H+](C)[C@H]2CCCc3ccccc32)NC(=O)N[C@@H]1c1ccco1 ZINC000027906405 569409482 /nfs/dbraw/zinc/40/94/82/569409482.db2.gz JVIBEVQYMAWWOF-GHTZIAJQSA-N 1 1 409.486 3.460 50 0 HGAAMO O=C(Cn1nc(-c2ccccc2)c2cc(Cl)ccc21)NCCC[NH+]1CCOCC1 ZINC000013368959 569412546 /nfs/dbraw/zinc/41/25/46/569412546.db2.gz PKWXBALZLPBXQQ-UHFFFAOYSA-N 1 1 412.921 3.195 50 0 HGAAMO C[C@@H]1C[C@@H](NC(=O)c2cccc(C(=O)N3CCCC3)n2)CC[N@H+]1Cc1ccccc1 ZINC000079025243 569424782 /nfs/dbraw/zinc/42/47/82/569424782.db2.gz NORMPTKZHRTKHA-QUCCMNQESA-N 1 1 406.530 3.101 50 0 HGAAMO Cc1cc(C)c(NC(=O)CNC(=O)C[N@H+]2Cc3ccccc3N(C)C[C@@H]2C)c(C)c1 ZINC000079051210 569425590 /nfs/dbraw/zinc/42/55/90/569425590.db2.gz SBTWIAKXOGGSHU-IBGZPJMESA-N 1 1 408.546 3.007 50 0 HGAAMO Cc1cc(C)c(NC(=O)CNC(=O)C[N@@H+]2Cc3ccccc3N(C)C[C@@H]2C)c(C)c1 ZINC000079051210 569425591 /nfs/dbraw/zinc/42/55/91/569425591.db2.gz SBTWIAKXOGGSHU-IBGZPJMESA-N 1 1 408.546 3.007 50 0 HGAAMO Cc1ccc(C[N@H+]2CCCN(C(=O)C3CCN(C(=O)c4ccoc4)CC3)CC2)cc1 ZINC000040087012 571157648 /nfs/dbraw/zinc/15/76/48/571157648.db2.gz YOLXIVREJCCNSO-UHFFFAOYSA-N 1 1 409.530 3.175 50 0 HGAAMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000040106754 571167364 /nfs/dbraw/zinc/16/73/64/571167364.db2.gz GDSXYUIMBLKSDA-KRWDZBQOSA-N 1 1 415.559 3.363 50 0 HGAAMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H]1CCCN(c2cnccn2)C1 ZINC000040112353 571170555 /nfs/dbraw/zinc/17/05/55/571170555.db2.gz KPIAYDSUOSVHKF-SIKLNZKXSA-N 1 1 407.562 3.384 50 0 HGAAMO CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000040146745 571196646 /nfs/dbraw/zinc/19/66/46/571196646.db2.gz SLNKXYIYIKMHSW-IYBDPMFKSA-N 1 1 402.539 3.091 50 0 HGAAMO Cc1c(C(=O)NC2CC2)nnn1-c1cccc2c1CC[N@@H+](Cc1cccc(F)c1)C2 ZINC000069899701 571248641 /nfs/dbraw/zinc/24/86/41/571248641.db2.gz FSMUKBPOGHSFDI-UHFFFAOYSA-N 1 1 405.477 3.165 50 0 HGAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cn(-c2ccc(OC)cc2)c(=O)c2ccccc12 ZINC000009433719 571258611 /nfs/dbraw/zinc/25/86/11/571258611.db2.gz ZFSZSONWAIXUSI-SFHVURJKSA-N 1 1 405.498 3.213 50 0 HGAAMO COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(C[N@@H+]3CCC[C@@H](C)C3)C2=O)cc1 ZINC000009548352 571267923 /nfs/dbraw/zinc/26/79/23/571267923.db2.gz DTYUTCDKOWPFQW-QGZVFWFLSA-N 1 1 423.513 3.189 50 0 HGAAMO COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(C[N@H+]3CCC[C@@H](C)C3)C2=O)cc1 ZINC000009548352 571267925 /nfs/dbraw/zinc/26/79/25/571267925.db2.gz DTYUTCDKOWPFQW-QGZVFWFLSA-N 1 1 423.513 3.189 50 0 HGAAMO CCn1cc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c(=O)c2ccc(C)nc21 ZINC000009754100 571284416 /nfs/dbraw/zinc/28/44/16/571284416.db2.gz CWESJRZHGDURIK-LJQANCHMSA-N 1 1 408.502 3.275 50 0 HGAAMO CC(C)Oc1ccc(CNC(=O)[C@H]2C[C@H]3CCC[N@H+]3[C@]23c2ccccc2NC3=O)cc1 ZINC000020513424 571314627 /nfs/dbraw/zinc/31/46/27/571314627.db2.gz PBSJIQWVQCXEDT-IOZGHAEBSA-N 1 1 419.525 3.422 50 0 HGAAMO Cc1ccc2c(c1)c1ncnc(N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c1n2C ZINC000002227220 132249836 /nfs/dbraw/zinc/24/98/36/132249836.db2.gz QWNQSLWGNPMFPX-UHFFFAOYSA-N 1 1 415.497 3.481 50 0 HGAAMO Cc1cccc2[nH]c3c(ncnc3N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c21 ZINC000002439810 132254651 /nfs/dbraw/zinc/25/46/51/132254651.db2.gz WYDRULQOXHJNHU-UHFFFAOYSA-N 1 1 401.470 3.470 50 0 HGAAMO O=C(C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)N1CCN(c2ccccc2)CC1 ZINC000008310466 132329294 /nfs/dbraw/zinc/32/92/94/132329294.db2.gz SFRMSASJAZHTFI-QFIPXVFZSA-N 1 1 421.541 3.334 50 0 HGAAMO O=C(C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)N1CCN(c2ccccc2)CC1 ZINC000008310466 132329297 /nfs/dbraw/zinc/32/92/97/132329297.db2.gz SFRMSASJAZHTFI-QFIPXVFZSA-N 1 1 421.541 3.334 50 0 HGAAMO COc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)Cc4ccccc4)CC3)n2)cc1 ZINC000009573258 132341240 /nfs/dbraw/zinc/34/12/40/132341240.db2.gz CGLGGGCEQPBOKA-UHFFFAOYSA-N 1 1 417.513 3.429 50 0 HGAAMO Cc1cc(C)nc(N2CCC(CCC(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC000012574775 132364519 /nfs/dbraw/zinc/36/45/19/132364519.db2.gz DSQOCKVFRGGSFQ-QHCPKHFHSA-N 1 1 421.589 3.481 50 0 HGAAMO CC(C)=C1c2cc(S(=O)(=O)N3CC[NH+](C4CCCCC4)CC3)ccc2NC1=O ZINC000020577785 519394524 /nfs/dbraw/zinc/39/45/24/519394524.db2.gz JQDWOMIWEPVFBF-UHFFFAOYSA-N 1 1 403.548 3.071 50 0 HGAAMO CC(C)Cc1ccc(C[N@@H+]2CCc3nnc(CCNC(=O)c4ccco4)n3CC2)cc1 ZINC000020600758 519439215 /nfs/dbraw/zinc/43/92/15/519439215.db2.gz QQQPZUGIPGQYPX-UHFFFAOYSA-N 1 1 421.545 3.100 50 0 HGAAMO CCOC(=O)C1=C(C[NH2+]Cc2cccs2)NC(=O)N[C@H]1c1ccccc1Cl ZINC000023805682 520519068 /nfs/dbraw/zinc/51/90/68/520519068.db2.gz YRLCJHRCTQXCRZ-KRWDZBQOSA-N 1 1 405.907 3.362 50 0 HGAAMO CC1(C)Cc2nc3sc4c(ncnc4NCCC[NH+]4CCOCC4)c3cc2CO1 ZINC000020051591 520586718 /nfs/dbraw/zinc/58/67/18/520586718.db2.gz KYRFMFNFGPKTPP-UHFFFAOYSA-N 1 1 413.547 3.225 50 0 HGAAMO CCN(CC)c1onc(-c2ccccc2)c1C[N@@H+](C[C@H](O)COC)C[C@@H]1CCCO1 ZINC000036245898 520938372 /nfs/dbraw/zinc/93/83/72/520938372.db2.gz DQQDVKPTKXHOGV-PMACEKPBSA-N 1 1 417.550 3.176 50 0 HGAAMO CCOc1ccc(N2C[C@H](C(=O)NCCCC[N@H+]3CCCC[C@H]3C)CC2=O)cc1 ZINC000245225263 521042816 /nfs/dbraw/zinc/04/28/16/521042816.db2.gz QXHIVMDJNHJBNT-RTBURBONSA-N 1 1 401.551 3.209 50 0 HGAAMO CCOC(=O)c1ccc(NC(=O)CCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000020458923 521491629 /nfs/dbraw/zinc/49/16/29/521491629.db2.gz XUAGZCVHOJFVGE-UHFFFAOYSA-N 1 1 409.530 3.400 50 0 HGAAMO CCC(CC)[C@@H](CNC(=O)C(=O)Nc1cc(Cl)ccc1Cl)[NH+]1CCOCC1 ZINC000041320254 521603447 /nfs/dbraw/zinc/60/34/47/521603447.db2.gz FBPRCSXFMRDBML-QGZVFWFLSA-N 1 1 416.349 3.185 50 0 HGAAMO CCSc1ccccc1C(=O)OCC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000032860373 521771866 /nfs/dbraw/zinc/77/18/66/521771866.db2.gz VKXVJSDSBSCCGH-UHFFFAOYSA-N 1 1 420.575 3.107 50 0 HGAAMO COc1ccc(CCNC(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)cc1OC ZINC000032824550 523968900 /nfs/dbraw/zinc/96/89/00/523968900.db2.gz IZEKTTQUGGOHAA-ROUUACIJSA-N 1 1 412.530 3.286 50 0 HGAAMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)CCNC(=O)Cc2ccccc2)C1 ZINC000032930733 524095757 /nfs/dbraw/zinc/09/57/57/524095757.db2.gz MMMFEDLPTPFDHV-FQEVSTJZSA-N 1 1 407.558 3.284 50 0 HGAAMO C[C@H]1CCc2c(sc3nc(CC[NH+]4CCN(c5ccccc5O)CC4)nc(N)c23)C1 ZINC000032850908 524437234 /nfs/dbraw/zinc/43/72/34/524437234.db2.gz SLGCWWDFWBLUPO-HNNXBMFYSA-N 1 1 423.586 3.469 50 0 HGAAMO Cc1cc(C[N@H+]2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)oc1C ZINC000020598432 524683950 /nfs/dbraw/zinc/68/39/50/524683950.db2.gz DBIWBZFJXPDZHZ-OAQYLSRUSA-N 1 1 411.546 3.407 50 0 HGAAMO Cc1ccc(C)c(-c2n[nH]cc2C[N@@H+]2CCN(Cc3cccc(C)n3)[C@H](CCO)C2)c1 ZINC000043089069 526256569 /nfs/dbraw/zinc/25/65/69/526256569.db2.gz ZHXQKDUXBPXEIE-HSZRJFAPSA-N 1 1 419.573 3.466 50 0 HGAAMO Cc1ccc(C)c(-c2n[nH]cc2C[N@H+]2CCN(Cc3cccc(C)n3)[C@H](CCO)C2)c1 ZINC000043089069 526256574 /nfs/dbraw/zinc/25/65/74/526256574.db2.gz ZHXQKDUXBPXEIE-HSZRJFAPSA-N 1 1 419.573 3.466 50 0 HGAAMO Cc1ccc(C)c(-c2n[nH]cc2CN2CC[N@H+](Cc3cccc(C)n3)[C@H](CCO)C2)c1 ZINC000043089069 526256579 /nfs/dbraw/zinc/25/65/79/526256579.db2.gz ZHXQKDUXBPXEIE-HSZRJFAPSA-N 1 1 419.573 3.466 50 0 HGAAMO Cc1ccc(C)c(-c2n[nH]cc2CN2CC[N@@H+](Cc3cccc(C)n3)[C@H](CCO)C2)c1 ZINC000043089069 526256584 /nfs/dbraw/zinc/25/65/84/526256584.db2.gz ZHXQKDUXBPXEIE-HSZRJFAPSA-N 1 1 419.573 3.466 50 0 HGAAMO Fc1ccc(Oc2nc(N3CCOCC3)nc3c2C[N@H+](Cc2ccncc2)CC3)cc1 ZINC000034755481 557457811 /nfs/dbraw/zinc/45/78/11/557457811.db2.gz LNYALOFDQMFYCL-UHFFFAOYSA-N 1 1 421.476 3.198 50 0 HGAAMO Fc1ccc(Oc2nc(N3CCOCC3)nc3c2C[N@@H+](Cc2ccncc2)CC3)cc1 ZINC000034755481 557457814 /nfs/dbraw/zinc/45/78/14/557457814.db2.gz LNYALOFDQMFYCL-UHFFFAOYSA-N 1 1 421.476 3.198 50 0 HGAAMO CC(=O)N1CCCN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2C)CC1 ZINC000034787956 557469434 /nfs/dbraw/zinc/46/94/34/557469434.db2.gz ISFZIBGNCFEEHC-QHCPKHFHSA-N 1 1 411.571 3.085 50 0 HGAAMO CC(=O)N1CCCN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2C)CC1 ZINC000034787956 557469438 /nfs/dbraw/zinc/46/94/38/557469438.db2.gz ISFZIBGNCFEEHC-QHCPKHFHSA-N 1 1 411.571 3.085 50 0 HGAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000034787682 557469446 /nfs/dbraw/zinc/46/94/46/557469446.db2.gz YYBCAPJTSZAVGP-HSZRJFAPSA-N 1 1 423.582 3.085 50 0 HGAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000034787682 557469448 /nfs/dbraw/zinc/46/94/48/557469448.db2.gz YYBCAPJTSZAVGP-HSZRJFAPSA-N 1 1 423.582 3.085 50 0 HGAAMO COc1ccc(OC)c(NC(=O)CC[N@@H+](C)CCc2ccc(OC)c(OC)c2)c1 ZINC000004725203 557587097 /nfs/dbraw/zinc/58/70/97/557587097.db2.gz XBQGTYRWBYEPQK-UHFFFAOYSA-N 1 1 402.491 3.224 50 0 HGAAMO C[C@H](NC(=S)NCCc1ccccc1)[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000022803247 557824463 /nfs/dbraw/zinc/82/44/63/557824463.db2.gz SOIWUPYQCIVMPD-FXAWDEMLSA-N 1 1 402.633 3.132 50 0 aggregator HGAAMO C[C@H](NC(=S)NCCc1ccccc1)[C@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000022803247 557824466 /nfs/dbraw/zinc/82/44/66/557824466.db2.gz SOIWUPYQCIVMPD-FXAWDEMLSA-N 1 1 402.633 3.132 50 0 aggregator HGAAMO c1ccc(CC[N@H+]2CCC[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cc1 ZINC000019744631 558265159 /nfs/dbraw/zinc/26/51/59/558265159.db2.gz YDAQLLXUYXEECB-QHCPKHFHSA-N 1 1 407.558 3.240 50 0 HGAAMO COc1ccc(/C=C/C[N@@H+]2CCc3nnc([C@H](CC(C)C)NC(C)=O)n3CC2)cc1 ZINC000011869762 558290100 /nfs/dbraw/zinc/29/01/00/558290100.db2.gz JMFWMFMHLHLKFD-LYSGITKLSA-N 1 1 411.550 3.082 50 0 HGAAMO CCc1ccc(CN(C)Cc2ccc(OC[C@@H](O)C[N@@H+](C)C(C)C)c(OC)c2)nc1 ZINC000011874205 558291888 /nfs/dbraw/zinc/29/18/88/558291888.db2.gz VTTXERGMIROCGG-QFIPXVFZSA-N 1 1 415.578 3.365 50 0 HGAAMO O=C(NCC[N@@H+]1CCC[C@H](O)C1)c1ccc2oc(CCCc3ccccc3)nc2c1 ZINC000011874265 558291947 /nfs/dbraw/zinc/29/19/47/558291947.db2.gz OVWWZEACKPOGKE-FQEVSTJZSA-N 1 1 407.514 3.190 50 0 HGAAMO CCCCc1nc(C[N@@H+]2CCC[C@@H](CNC(=O)c3cc(OC)cc(OC)c3)C2)c[nH]1 ZINC000011936746 558300776 /nfs/dbraw/zinc/30/07/76/558300776.db2.gz ZEYWKYKRXYZCOH-KRWDZBQOSA-N 1 1 414.550 3.412 50 0 HGAAMO CCCCc1nc(C[N@H+]2CCC[C@@H](CNC(=O)c3cc(OC)cc(OC)c3)C2)c[nH]1 ZINC000011936746 558300780 /nfs/dbraw/zinc/30/07/80/558300780.db2.gz ZEYWKYKRXYZCOH-KRWDZBQOSA-N 1 1 414.550 3.412 50 0 HGAAMO O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019893143 558303521 /nfs/dbraw/zinc/30/35/21/558303521.db2.gz YCCDPKZXAPYDTN-UHFFFAOYSA-N 1 1 406.452 3.125 50 0 HGAAMO Cc1ccc(Nc2nc(N)nc(CN3CC[NH+](Cc4ccccc4)CC3)n2)cc1C ZINC000019899179 558304600 /nfs/dbraw/zinc/30/46/00/558304600.db2.gz ILSCQEPNRLBREA-UHFFFAOYSA-N 1 1 403.534 3.132 50 0 HGAAMO Cc1cccc(Nc2nc(N)nc(CN3CC[NH+](C/C=C/c4ccccc4)CC3)n2)c1 ZINC000019899255 558304764 /nfs/dbraw/zinc/30/47/64/558304764.db2.gz MQKRHHHFSJQLNI-UXBLZVDNSA-N 1 1 415.545 3.337 50 0 HGAAMO O=C(c1cc2c([nH]c1=O)CCCC2)N1CCC[C@@H]2C[N@@H+](Cc3cccs3)CC[C@H]21 ZINC000012035907 558311920 /nfs/dbraw/zinc/31/19/20/558311920.db2.gz AUUDUQUZUZVSON-DYESRHJHSA-N 1 1 411.571 3.442 50 0 HGAAMO C[C@H](C[N@@H+]1CCc2nnc(CCNC(=O)c3ccc(F)cc3)n2CC1)c1ccccc1 ZINC000012040872 558312848 /nfs/dbraw/zinc/31/28/48/558312848.db2.gz KKMJOBBWROTAPV-GOSISDBHSA-N 1 1 421.520 3.052 50 0 HGAAMO O=C(C[C@@H](c1ccccc1)c1cc(Cl)ccc1O)NCCC[NH+]1CCOCC1 ZINC000020001420 558317846 /nfs/dbraw/zinc/31/78/46/558317846.db2.gz RAJZCWMYQBWRSA-IBGZPJMESA-N 1 1 402.922 3.406 50 0 HGAAMO OCC[C@@H]1C[N@H+](Cc2cccn2-c2ccccn2)CCN1Cc1ccc(F)c(F)c1 ZINC000020109541 558334646 /nfs/dbraw/zinc/33/46/46/558334646.db2.gz WXZWAOIDDHQSME-LJQANCHMSA-N 1 1 412.484 3.219 50 0 HGAAMO OCC[C@@H]1C[N@@H+](Cc2cccn2-c2ccccn2)CCN1Cc1ccc(F)c(F)c1 ZINC000020109541 558334647 /nfs/dbraw/zinc/33/46/47/558334647.db2.gz WXZWAOIDDHQSME-LJQANCHMSA-N 1 1 412.484 3.219 50 0 HGAAMO CCOc1ccccc1C[N@@H+]1CCN(Cc2ccc(F)c(OC)c2)C[C@@H]1CCO ZINC000020212132 558347964 /nfs/dbraw/zinc/34/79/64/558347964.db2.gz ZKJBHULOYRHTNN-FQEVSTJZSA-N 1 1 402.510 3.302 50 0 HGAAMO CCOc1ccccc1C[N@H+]1CCN(Cc2ccc(F)c(OC)c2)C[C@@H]1CCO ZINC000020212132 558347965 /nfs/dbraw/zinc/34/79/65/558347965.db2.gz ZKJBHULOYRHTNN-FQEVSTJZSA-N 1 1 402.510 3.302 50 0 HGAAMO COc1ccccc1/C=C/C[N@@H+]1CCc2nnc([C@H](CC(C)C)NC(C)=O)n2CC1 ZINC000012211673 558354122 /nfs/dbraw/zinc/35/41/22/558354122.db2.gz DXHGZGUEQIUGBM-JCOOBLOPSA-N 1 1 411.550 3.082 50 0 HGAAMO O=C(C1CC[NH+]([C@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)CC1)N1CCCCCC1 ZINC000020437375 558363227 /nfs/dbraw/zinc/36/32/27/558363227.db2.gz FEEKIVJTYQCCCT-IBGZPJMESA-N 1 1 417.937 3.087 50 0 HGAAMO O=C1C[C@@H](N2CC[NH+](Cc3ccccc3)CC2)C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000020500624 558380782 /nfs/dbraw/zinc/38/07/82/558380782.db2.gz VAIQUKRVLODDEG-LJQANCHMSA-N 1 1 417.431 3.155 50 0 HGAAMO CN(C)C(=O)c1nc2ccc(Cl)cn2c1C[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000012317802 558381177 /nfs/dbraw/zinc/38/11/77/558381177.db2.gz VILIWQHXTOGSMI-UHFFFAOYSA-N 1 1 422.920 3.224 50 0 HGAAMO COC(=O)C1CCN(C[C@@H](O)COc2cccc(C[N@H+](C)C3CCCCC3)c2)CC1 ZINC000012372902 558390325 /nfs/dbraw/zinc/39/03/25/558390325.db2.gz XFVIDQOLXOKAGY-JOCHJYFZSA-N 1 1 418.578 3.076 50 0 HGAAMO COC(=O)C1CCN(C[C@@H](O)COc2cccc(C[N@@H+](C)C3CCCCC3)c2)CC1 ZINC000012372902 558390328 /nfs/dbraw/zinc/39/03/28/558390328.db2.gz XFVIDQOLXOKAGY-JOCHJYFZSA-N 1 1 418.578 3.076 50 0 HGAAMO COc1cc(CN2CCSCC2)ccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012387412 558396141 /nfs/dbraw/zinc/39/61/41/558396141.db2.gz ZFHZYSRKLULEGP-FQEVSTJZSA-N 1 1 408.608 3.248 50 0 HGAAMO Cc1cccc(C)c1NC(=O)CN1CC[NH+](CCC(=O)Nc2cccc(F)c2)CC1 ZINC000022930522 558396986 /nfs/dbraw/zinc/39/69/86/558396986.db2.gz VTOMGHLYYBHBOF-UHFFFAOYSA-N 1 1 412.509 3.027 50 0 HGAAMO CCc1c(C(=O)N2CCc3ccccc3C2)c(=O)cc(C)n1C[C@@H]1CCC[N@@H+]1CC ZINC000012452910 558416337 /nfs/dbraw/zinc/41/63/37/558416337.db2.gz HRDSZBIFMOAHDK-NRFANRHFSA-N 1 1 407.558 3.402 50 0 HGAAMO COc1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(Cl)ccc3o2)[NH+](C)C)cc1 ZINC000020932298 558424089 /nfs/dbraw/zinc/42/40/89/558424089.db2.gz OUMQDKXLDHQNOV-QGZVFWFLSA-N 1 1 400.862 3.488 50 0 HGAAMO COc1ccc(CC[N@@H+](C)[C@@H]2CCCN(Cc3cccc4nonc43)C2)cc1OC ZINC000020995108 558426447 /nfs/dbraw/zinc/42/64/47/558426447.db2.gz GKNPARBTCOSPOR-LJQANCHMSA-N 1 1 410.518 3.379 50 0 HGAAMO CCOC(=O)N1CCC([N@H+]2CCC[C@H](N3CCN(c4ccccc4F)CC3)C2)CC1 ZINC000020998816 558427942 /nfs/dbraw/zinc/42/79/42/558427942.db2.gz GMITWXVQCDFGJM-FQEVSTJZSA-N 1 1 418.557 3.033 50 0 HGAAMO Cc1nn(C)cc1CN(C)Cc1cccc(OC[C@H](O)C[N@@H+](C)C2CCCCC2)c1 ZINC000012583311 558433396 /nfs/dbraw/zinc/43/33/96/558433396.db2.gz HHKZLKKJFGKLDV-HSZRJFAPSA-N 1 1 414.594 3.365 50 0 HGAAMO Cc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)Cn2nc3ccccc3n2)C1 ZINC000012594358 558436813 /nfs/dbraw/zinc/43/68/13/558436813.db2.gz PCXKDQICSIUTTC-FQEVSTJZSA-N 1 1 405.546 3.153 50 0 HGAAMO Cc1nonc1CN(C)Cc1ccccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012613316 558439289 /nfs/dbraw/zinc/43/92/89/558439289.db2.gz LICQFMRGUYLJRX-HXUWFJFHSA-N 1 1 402.539 3.014 50 0 HGAAMO O[C@H](COc1ccc(-c2ccccc2)cc1)C[NH+]1CCN(Cc2ccccn2)CC1 ZINC000022242580 558471847 /nfs/dbraw/zinc/47/18/47/558471847.db2.gz HBEFQHWJTDPXAJ-DEOSSOPVSA-N 1 1 403.526 3.306 50 0 HGAAMO COC(=O)c1ccc(C)c(NC(=O)CN2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000022836999 558516088 /nfs/dbraw/zinc/51/60/88/558516088.db2.gz XEPDVRHBOHROIG-UHFFFAOYSA-N 1 1 413.493 3.067 50 0 HGAAMO COc1cc(-c2n[nH]cc2C[N@@H+](CCN(C)C)C2CCCC2)cc(OC)c1OC ZINC000022914005 558520893 /nfs/dbraw/zinc/52/08/93/558520893.db2.gz PZBDQNCSSWRLPM-UHFFFAOYSA-N 1 1 402.539 3.409 50 0 HGAAMO COc1cc(-c2n[nH]cc2CN(CC[NH+](C)C)C2CCCC2)cc(OC)c1OC ZINC000022914005 558520894 /nfs/dbraw/zinc/52/08/94/558520894.db2.gz PZBDQNCSSWRLPM-UHFFFAOYSA-N 1 1 402.539 3.409 50 0 HGAAMO CCOC(=O)[C@@H]1CCC[N@H+](Cc2c(C(=O)N3CCCCC3)nc3c(C)cccn23)C1 ZINC000013594226 558546676 /nfs/dbraw/zinc/54/66/76/558546676.db2.gz JFJJNKMAEJGIAZ-GOSISDBHSA-N 1 1 412.534 3.044 50 0 HGAAMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2c(C(=O)N3CCCCC3)nc3c(C)cccn23)C1 ZINC000013594226 558546677 /nfs/dbraw/zinc/54/66/77/558546677.db2.gz JFJJNKMAEJGIAZ-GOSISDBHSA-N 1 1 412.534 3.044 50 0 HGAAMO O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000023641887 558564374 /nfs/dbraw/zinc/56/43/74/558564374.db2.gz MQGXEBBHCQTPBT-UHFFFAOYSA-N 1 1 409.574 3.054 50 0 HGAAMO O=C(c1n[nH]c(=O)c2ccccc21)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000023908615 558581407 /nfs/dbraw/zinc/58/14/07/558581407.db2.gz XLSNCBLLOVNUBF-UHFFFAOYSA-N 1 1 424.504 3.471 50 0 HGAAMO Cc1nn(C)c2nc(C)c(CCC(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)c(C)c12 ZINC000024969885 558623106 /nfs/dbraw/zinc/62/31/06/558623106.db2.gz ZICDVDAHKNXIOS-HXUWFJFHSA-N 1 1 405.546 3.217 50 0 HGAAMO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@H](C)C(=O)N1CC(=O)Nc2ccccc21 ZINC000014142376 558625434 /nfs/dbraw/zinc/62/54/34/558625434.db2.gz DQZPAFRIRWFAND-QGZVFWFLSA-N 1 1 417.513 3.012 50 0 HGAAMO Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCC(C)C)C[N@H+](Cc3ccc(O)cc3)C2)cn1 ZINC000014744182 558668307 /nfs/dbraw/zinc/66/83/07/558668307.db2.gz LWBLHMUROIZPGP-LEWJYISDSA-N 1 1 411.546 3.385 50 0 HGAAMO C[N@@H+](CCc1ccccn1)Cc1ccc(C(=O)N[C@H]2CCCc3ccccc32)c(=O)[nH]1 ZINC000014881580 558676084 /nfs/dbraw/zinc/67/60/84/558676084.db2.gz SBUXMWIIYDWXBD-QHCPKHFHSA-N 1 1 416.525 3.252 50 0 HGAAMO CN(Cc1ccc2nonc2c1)Cc1ccccc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000014958575 558683175 /nfs/dbraw/zinc/68/31/75/558683175.db2.gz YBYSRDDDEJNUGY-FQEVSTJZSA-N 1 1 410.518 3.080 50 0 HGAAMO CN(Cc1ccccn1)C(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000015064856 558707767 /nfs/dbraw/zinc/70/77/67/558707767.db2.gz QIJFHFKPQQNKMC-JOCHJYFZSA-N 1 1 406.574 3.417 50 0 HGAAMO COc1ccccc1-n1cc(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3F)C2)cn1 ZINC000015073232 558714033 /nfs/dbraw/zinc/71/40/33/558714033.db2.gz WVBVTSHHRCNTKC-IBGZPJMESA-N 1 1 408.477 3.414 50 0 HGAAMO COc1ccccc1-n1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)cn1 ZINC000015073232 558714035 /nfs/dbraw/zinc/71/40/35/558714035.db2.gz WVBVTSHHRCNTKC-IBGZPJMESA-N 1 1 408.477 3.414 50 0 HGAAMO CCc1sc(C(=O)NCC(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)cc1C ZINC000029504324 558715960 /nfs/dbraw/zinc/71/59/60/558715960.db2.gz ACWVDEWDNZBDAB-INIZCTEOSA-N 1 1 407.967 3.421 50 0 HGAAMO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000015990319 558765510 /nfs/dbraw/zinc/76/55/10/558765510.db2.gz ZZFPRVRWYARAIA-UGCAPWQASA-N 1 1 415.493 3.043 50 0 HGAAMO CCOc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)cc1 ZINC000072308191 558769164 /nfs/dbraw/zinc/76/91/64/558769164.db2.gz HPRPVFJLAFAMSV-MSOLQXFVSA-N 1 1 410.518 3.466 50 0 HGAAMO CCOc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)cc1 ZINC000072308191 558769166 /nfs/dbraw/zinc/76/91/66/558769166.db2.gz HPRPVFJLAFAMSV-MSOLQXFVSA-N 1 1 410.518 3.466 50 0 HGAAMO CCOC(=O)c1c2c(sc1NC(=O)CN1CC[N@@H+](C)CC13CCCCC3)CCC2 ZINC000072308918 558771607 /nfs/dbraw/zinc/77/16/07/558771607.db2.gz YCODTFVXBLKLEJ-UHFFFAOYSA-N 1 1 419.591 3.302 50 0 HGAAMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)CCc2cccc(OC3CCCC3)c2)CC1 ZINC000072309324 558773074 /nfs/dbraw/zinc/77/30/74/558773074.db2.gz HILOUVYULSKGRT-SFHVURJKSA-N 1 1 402.535 3.036 50 0 HGAAMO COc1cc(CN2CC[N@@H+](Cc3cn(C)c4ccccc34)C[C@H]2CCO)cc(OC)c1 ZINC000036379386 558799697 /nfs/dbraw/zinc/79/96/97/558799697.db2.gz LNDGNWCEDBSUPC-OAQYLSRUSA-N 1 1 423.557 3.264 50 0 HGAAMO C[C@H]1C[N@H+](CCC(=O)NC[C@@H](c2cccnc2)N2CCCCC2)Cc2ccccc2O1 ZINC000039354753 558820202 /nfs/dbraw/zinc/82/02/02/558820202.db2.gz FGSJMNRARDTAIL-REWPJTCUSA-N 1 1 422.573 3.398 50 0 HGAAMO C[C@H]1C[N@@H+](CCC(=O)NC[C@@H](c2cccnc2)N2CCCCC2)Cc2ccccc2O1 ZINC000039354753 558820204 /nfs/dbraw/zinc/82/02/04/558820204.db2.gz FGSJMNRARDTAIL-REWPJTCUSA-N 1 1 422.573 3.398 50 0 HGAAMO O=C(C[C@H]1C(=O)NCC[N@@H+]1CC(c1ccccc1)c1ccccc1)N1CCCCC1 ZINC000039516208 558822032 /nfs/dbraw/zinc/82/20/32/558822032.db2.gz KGEGJFHITSQGAK-QHCPKHFHSA-N 1 1 405.542 3.022 50 0 HGAAMO CC[NH+]1CCN(C(=O)CSc2nnc(-c3ccccc3C)n2-c2ccccc2)CC1 ZINC000033013594 558833254 /nfs/dbraw/zinc/83/32/54/558833254.db2.gz ZNSLYLFIEGZGSM-UHFFFAOYSA-N 1 1 421.570 3.499 50 0 HGAAMO O=S(=O)(Cc1ccccc1)NC[C@@H]1CCC[N@@H+](Cc2cccn2-c2cccnc2)C1 ZINC000019147096 558846774 /nfs/dbraw/zinc/84/67/74/558846774.db2.gz ZADSHUVCSUUFDS-NRFANRHFSA-N 1 1 424.570 3.204 50 0 HGAAMO CCCC[N@@H+](CC)CCCNC(=O)c1cccn1-c1nnc(N2CCCC2)s1 ZINC000033039595 558868677 /nfs/dbraw/zinc/86/86/77/558868677.db2.gz RPHLXEJYGZCZKS-UHFFFAOYSA-N 1 1 404.584 3.171 50 0 HGAAMO COc1ccc(CC[N@@H+](C)[C@H]2CCCN(Cc3ccc4nonc4c3)C2)cc1OC ZINC000019338846 558870896 /nfs/dbraw/zinc/87/08/96/558870896.db2.gz KTXZNGMLIQCMPE-IBGZPJMESA-N 1 1 410.518 3.379 50 0 HGAAMO O=CNc1ccc2c(c1)N(C(=O)CCN1CC[N@H+]3CCC[C@@H]3C1)c1ccccc1CC2 ZINC000019363059 558876583 /nfs/dbraw/zinc/87/65/83/558876583.db2.gz AIAKWXSQLVHIPC-JOCHJYFZSA-N 1 1 418.541 3.188 50 0 HGAAMO CC[NH+]1CCN(C(=O)CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)CC1 ZINC000019527873 558909135 /nfs/dbraw/zinc/90/91/35/558909135.db2.gz CBPMLXFJDWPZCA-UHFFFAOYSA-N 1 1 400.426 3.012 50 0 HGAAMO O=C(c1ccc(F)cc1)c1ccccc1C(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000058203447 558911943 /nfs/dbraw/zinc/91/19/43/558911943.db2.gz OJZQYUZOEYJOBL-HXUWFJFHSA-N 1 1 410.489 3.384 50 0 HGAAMO O=C(c1ccc(F)cc1)c1ccccc1C(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000058203447 558911946 /nfs/dbraw/zinc/91/19/46/558911946.db2.gz OJZQYUZOEYJOBL-HXUWFJFHSA-N 1 1 410.489 3.384 50 0 HGAAMO O=C(c1ccc(F)cc1)c1ccccc1C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000058203446 558911956 /nfs/dbraw/zinc/91/19/56/558911956.db2.gz OJZQYUZOEYJOBL-FQEVSTJZSA-N 1 1 410.489 3.384 50 0 HGAAMO O=C(c1ccc(F)cc1)c1ccccc1C(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000058203446 558911957 /nfs/dbraw/zinc/91/19/57/558911957.db2.gz OJZQYUZOEYJOBL-FQEVSTJZSA-N 1 1 410.489 3.384 50 0 HGAAMO COCC[N@@H+](C)C[C@@H]1CCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000058364964 558921948 /nfs/dbraw/zinc/92/19/48/558921948.db2.gz HAQDVWBPEJDALO-LBPRGKRZSA-N 1 1 415.770 3.378 50 0 HGAAMO Cc1ncn(-c2cc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)[nH+]c(C)n2)c1C ZINC000072119304 558927984 /nfs/dbraw/zinc/92/79/84/558927984.db2.gz UNQATDJEATZGRP-UHFFFAOYSA-N 1 1 410.909 3.203 50 0 HGAAMO Cc1cccc(NS(=O)(=O)c2cc(C(=O)NC3CC[NH+](C)CC3)ccc2Cl)c1 ZINC000065362476 558973243 /nfs/dbraw/zinc/97/32/43/558973243.db2.gz HEDNWIDJLGJHAF-UHFFFAOYSA-N 1 1 421.950 3.273 50 0 HGAAMO Cc1cccc(-c2nc3cc4c(cc3cc2C[N@@H+]2CCO[C@@H](C(N)=O)C2)CCC4)c1 ZINC000072448587 558982831 /nfs/dbraw/zinc/98/28/31/558982831.db2.gz HIXAQNIXEDTTBS-HSZRJFAPSA-N 1 1 401.510 3.385 50 0 HGAAMO Cc1cccc(-c2nc3cc4c(cc3cc2C[N@H+]2CCO[C@@H](C(N)=O)C2)CCC4)c1 ZINC000072448587 558982834 /nfs/dbraw/zinc/98/28/34/558982834.db2.gz HIXAQNIXEDTTBS-HSZRJFAPSA-N 1 1 401.510 3.385 50 0 HGAAMO C[C@@H]1CNC(=O)CC[N@H+]1Cc1cc2cc3c(cc2nc1-c1ccc(F)cc1)OCO3 ZINC000072469440 558983378 /nfs/dbraw/zinc/98/33/78/558983378.db2.gz IJLFLFGUNPEJPQ-CQSZACIVSA-N 1 1 407.445 3.480 50 0 HGAAMO COc1cc(C[NH2+]CC2(N[C@H](C)c3ccccc3)CCOCC2)cc2c1OCCO2 ZINC000097002587 558987643 /nfs/dbraw/zinc/98/76/43/558987643.db2.gz DSWFZCRDDVWXDO-GOSISDBHSA-N 1 1 412.530 3.456 50 0 HGAAMO COc1ccc(C)cc1NC(=O)N1CCN(c2cc(N3CCCC3)nc(C)[nH+]2)CC1 ZINC000067621146 558989621 /nfs/dbraw/zinc/98/96/21/558989621.db2.gz GJMPEWGHRNFAKM-UHFFFAOYSA-N 1 1 410.522 3.056 50 0 HGAAMO Cc1cccc(C(=O)N2CCC([N@H+]3CCC[C@@H](C(=O)NCc4cccnc4)C3)CC2)c1 ZINC000082096811 559037579 /nfs/dbraw/zinc/03/75/79/559037579.db2.gz HKESFMXRYVETQP-JOCHJYFZSA-N 1 1 420.557 3.023 50 0 HGAAMO O=C(N[C@H]1CCCOC1)C1CC[NH+](C2CCN(CCCc3ccccc3)CC2)CC1 ZINC000082097693 559037763 /nfs/dbraw/zinc/03/77/63/559037763.db2.gz AKBFLABANLDKBF-QHCPKHFHSA-N 1 1 413.606 3.091 50 0 HGAAMO O=C(NCc1ccccn1)[C@H]1CCC[N@H+](C2CCN(CCCC(F)(F)F)CC2)C1 ZINC000082098176 559037849 /nfs/dbraw/zinc/03/78/49/559037849.db2.gz JBRXXALIHVHERH-KRWDZBQOSA-N 1 1 412.500 3.217 50 0 HGAAMO O=C(NCc1nccs1)[C@H]1CCC[N@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000082098828 559037908 /nfs/dbraw/zinc/03/79/08/559037908.db2.gz FNUFBQBFHLIIOP-FQEVSTJZSA-N 1 1 412.603 3.178 50 0 HGAAMO CCC(C)(C)C(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000082099143 559037927 /nfs/dbraw/zinc/03/79/27/559037927.db2.gz ZZCFLXPJNWQNDG-OAQYLSRUSA-N 1 1 413.606 3.485 50 0 HGAAMO Cc1ccc(CCNC(=O)[C@H]2CCC[N@H+](C3CCN(Cc4cccnc4)CC3)C2)o1 ZINC000082134668 559039986 /nfs/dbraw/zinc/03/99/86/559039986.db2.gz JDMSVLLIPXQLPD-NRFANRHFSA-N 1 1 410.562 3.018 50 0 HGAAMO Cc1ccnc(CNC(=O)[C@@H]2CCC[N@H+](C3CCN(CCc4ccccc4)CC3)C2)c1 ZINC000082128172 559039997 /nfs/dbraw/zinc/03/99/97/559039997.db2.gz GVJRZZDRGZSQTC-HSZRJFAPSA-N 1 1 420.601 3.425 50 0 HGAAMO O=C(C1CC[NH+](C2CCN(CCCc3ccccc3)CC2)CC1)N1CCCOCC1 ZINC000082137150 559040268 /nfs/dbraw/zinc/04/02/68/559040268.db2.gz DJZVCALXDMGVNN-UHFFFAOYSA-N 1 1 413.606 3.045 50 0 HGAAMO O=C(C1CCN(C2CC[NH+](CCCc3ccccc3)CC2)CC1)N1CCCOCC1 ZINC000082137150 559040270 /nfs/dbraw/zinc/04/02/70/559040270.db2.gz DJZVCALXDMGVNN-UHFFFAOYSA-N 1 1 413.606 3.045 50 0 HGAAMO O=C(NCCc1ccco1)[C@@H]1CCC[N@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000082138854 559040668 /nfs/dbraw/zinc/04/06/68/559040668.db2.gz MYKVZVAKUWSHTC-JOCHJYFZSA-N 1 1 409.574 3.357 50 0 HGAAMO Cc1nc2cc(OCc3nc(C(=O)NC[C@@]4(C)CC[N@H+](C)C4)co3)ccc2s1 ZINC000091350837 559071225 /nfs/dbraw/zinc/07/12/25/559071225.db2.gz GMDWMXRQZURXTC-HXUWFJFHSA-N 1 1 400.504 3.243 50 0 HGAAMO O=C(NCC(F)(F)F)[C@H]1CCC[N@@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC000091873279 559074325 /nfs/dbraw/zinc/07/43/25/559074325.db2.gz ZQHIKRRMCUMPSL-SFHVURJKSA-N 1 1 409.496 3.009 50 0 HGAAMO O=C(NCC(F)(F)F)[C@H]1CCC[N@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC000091873279 559074326 /nfs/dbraw/zinc/07/43/26/559074326.db2.gz ZQHIKRRMCUMPSL-SFHVURJKSA-N 1 1 409.496 3.009 50 0 HGAAMO O=C(C1CC1)N1CCc2[nH]cnc2C12CC[NH+](Cc1ccc(F)c(Cl)c1)CC2 ZINC000095515184 559084416 /nfs/dbraw/zinc/08/44/16/559084416.db2.gz SGUYOLQCQZYQGG-UHFFFAOYSA-N 1 1 402.901 3.488 50 0 HGAAMO O=C(C1CC1)N1CCc2[nH]cnc2C12CC[NH+](Cc1ccc(Cl)cc1F)CC2 ZINC000095516703 559084585 /nfs/dbraw/zinc/08/45/85/559084585.db2.gz QBWXIDSCHLCXRF-UHFFFAOYSA-N 1 1 402.901 3.488 50 0 HGAAMO C[C@@H](NC(=O)Cc1cccc2ccccc21)C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000248095990 559147098 /nfs/dbraw/zinc/14/70/98/559147098.db2.gz CZHMCTYIYXQCGY-DVECYGJZSA-N 1 1 415.537 3.402 50 0 HGAAMO C[C@@H](NC(=O)Cc1cccc2ccccc21)C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000248095990 559147100 /nfs/dbraw/zinc/14/71/00/559147100.db2.gz CZHMCTYIYXQCGY-DVECYGJZSA-N 1 1 415.537 3.402 50 0 HGAAMO C[C@@H]1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](C[NH+]4CCN(C(=O)c5ccco5)CC4)[C@H]3C=C12 ZINC000248335196 559271301 /nfs/dbraw/zinc/27/13/01/559271301.db2.gz MQSZZIBOTGMDJA-ZKUMWFFHSA-N 1 1 412.530 3.352 50 0 HGAAMO Cc1noc(C)c1CN1CCc2c(C(=O)N3CC[N@@H+](C)C(C)(C)C3)csc2C1 ZINC000426503118 559274428 /nfs/dbraw/zinc/27/44/28/559274428.db2.gz HQPGNTLOCJRBEY-UHFFFAOYSA-N 1 1 402.564 3.077 50 0 HGAAMO Cc1noc(C)c1CN1CCc2c(C(=O)N3CC[N@H+](C)C(C)(C)C3)csc2C1 ZINC000426503118 559274430 /nfs/dbraw/zinc/27/44/30/559274430.db2.gz HQPGNTLOCJRBEY-UHFFFAOYSA-N 1 1 402.564 3.077 50 0 HGAAMO CCn1ccnc1CN1CC[N@@H+](CCC(=O)Nc2ccccc2SC)C[C@H]1C ZINC000106909019 560894167 /nfs/dbraw/zinc/89/41/67/560894167.db2.gz GSOHWYJYLXPOSS-QGZVFWFLSA-N 1 1 401.580 3.160 50 0 HGAAMO COc1ccc(C[N@H+](C)Cc2cc(=O)n3nc(-c4ccccc4OC)sc3n2)cc1 ZINC000046032180 568424551 /nfs/dbraw/zinc/42/45/51/568424551.db2.gz FRCCQWKWCNXJDX-UHFFFAOYSA-N 1 1 422.510 3.467 50 0 HGAAMO COc1ccc(C[N@@H+](C)Cc2cc(=O)n3nc(-c4ccccc4OC)sc3n2)cc1 ZINC000046032180 568424552 /nfs/dbraw/zinc/42/45/52/568424552.db2.gz FRCCQWKWCNXJDX-UHFFFAOYSA-N 1 1 422.510 3.467 50 0 HGAAMO Cc1occc1C(=O)Nc1nc(CC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000048333152 568439518 /nfs/dbraw/zinc/43/95/18/568439518.db2.gz SNGSBGXRTPPMAU-QGZVFWFLSA-N 1 1 424.526 3.230 50 0 HGAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000048341326 568440372 /nfs/dbraw/zinc/44/03/72/568440372.db2.gz WDPRJRVCWYHJSM-HDICACEKSA-N 1 1 414.571 3.498 50 0 HGAAMO O=C(NCC[N@H+]1CCc2ccccc2C1)Nc1cc(Cl)ccc1N1CCOCC1 ZINC000048373854 568442231 /nfs/dbraw/zinc/44/22/31/568442231.db2.gz VNYHHEMEQAJUBU-UHFFFAOYSA-N 1 1 414.937 3.356 50 0 HGAAMO CCCCn1c2ccc(S(N)(=O)=O)cc2nc1C[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000021582667 568467388 /nfs/dbraw/zinc/46/73/88/568467388.db2.gz MGJMOSOSEXRDQM-IAGOWNOFSA-N 1 1 404.580 3.496 50 0 HGAAMO C=CC(=O)NCc1ccc(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000261489599 568512188 /nfs/dbraw/zinc/51/21/88/568512188.db2.gz YPZMULKUINXMRG-ZJSXRUAMSA-N 1 1 421.541 3.310 50 0 HGAAMO COc1ccccc1NC(=S)N(CCC[NH+]1CCN(C)CC1)Cc1ccco1 ZINC000020107830 568588495 /nfs/dbraw/zinc/58/84/95/568588495.db2.gz CYVUGQSXIDPVSM-UHFFFAOYSA-N 1 1 402.564 3.125 50 0 HGAAMO C[C@H](NC(=O)C[N@H+]1CCC[C@H]1CN1C[C@@H](C)O[C@H](C)C1)c1ccc2c(c1)CCCC2 ZINC000095373519 568603065 /nfs/dbraw/zinc/60/30/65/568603065.db2.gz HKPHTTBPOFZVSX-FDGPYGQJSA-N 1 1 413.606 3.316 50 0 HGAAMO C[C@H](NC(=O)CN1CCC[C@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc2c(c1)CCCC2 ZINC000095373519 568603070 /nfs/dbraw/zinc/60/30/70/568603070.db2.gz HKPHTTBPOFZVSX-FDGPYGQJSA-N 1 1 413.606 3.316 50 0 HGAAMO O=C(C1CCN(CC(F)(F)F)CC1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000225531550 568647962 /nfs/dbraw/zinc/64/79/62/568647962.db2.gz JBUGYMSNTHCTJB-UHFFFAOYSA-N 1 1 411.512 3.428 50 0 HGAAMO O=C(CC[C@@H]1CCCN(C(=O)C2=CCCC2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020996532 568656878 /nfs/dbraw/zinc/65/68/78/568656878.db2.gz BFRVXVIRBJUUNF-QFIPXVFZSA-N 1 1 409.574 3.460 50 0 HGAAMO O=C1C[C@H](c2nc3ccccc3n2CC[NH+]2CCOCC2)CN1c1ccccc1F ZINC000021171756 568676309 /nfs/dbraw/zinc/67/63/09/568676309.db2.gz GZUQWOYBMXUPGY-KRWDZBQOSA-N 1 1 408.477 3.028 50 0 HGAAMO CCNC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)C1 ZINC000096000042 568680915 /nfs/dbraw/zinc/68/09/15/568680915.db2.gz JULYCIWSKTZXHV-CYBMUJFWSA-N 1 1 401.902 3.232 50 0 HGAAMO CCNC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)C1 ZINC000096000042 568680916 /nfs/dbraw/zinc/68/09/16/568680916.db2.gz JULYCIWSKTZXHV-CYBMUJFWSA-N 1 1 401.902 3.232 50 0 HGAAMO C[C@@H]1CN(Cc2ccc(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc2)C[C@H](C)O1 ZINC000229550541 568714724 /nfs/dbraw/zinc/71/47/24/568714724.db2.gz YFRVCXMULMTCAR-ROKPMTFOSA-N 1 1 407.558 3.300 50 0 HGAAMO O=C(C[NH+]1CCC(C(=O)NC2CC2)CC1)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000055911927 568784564 /nfs/dbraw/zinc/78/45/64/568784564.db2.gz RARMVJWIORODAB-JOCHJYFZSA-N 1 1 401.526 3.164 50 0 HGAAMO Cn1c(=O)c2c(nc1N1CC[NH+](Cc3ccccc3)CC1)sc1c2CC(C)(C)OC1 ZINC000057160017 568824833 /nfs/dbraw/zinc/82/48/33/568824833.db2.gz CFRYMGVVWWPCEB-UHFFFAOYSA-N 1 1 424.570 3.169 50 0 HGAAMO COc1cccc([C@H]2NC(=[NH2+])Nc3nc4cc5c(cc4n32)OCCCO5)c1OC(C)C ZINC000012506961 568839428 /nfs/dbraw/zinc/83/94/28/568839428.db2.gz BNNLJPKLIRFKSY-FQEVSTJZSA-N 1 1 423.473 3.090 50 0 HGAAMO O=C(/C=C/c1ccccc1OC(F)F)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000029882191 568844187 /nfs/dbraw/zinc/84/41/87/568844187.db2.gz WPBVWTUBVCPZEW-MDZDMXLPSA-N 1 1 402.441 3.450 50 0 HGAAMO COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)c1C ZINC000012599666 568869657 /nfs/dbraw/zinc/86/96/57/568869657.db2.gz VIBBHCIGAAZPIA-DLBZAZTESA-N 1 1 411.502 3.340 50 0 HGAAMO COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)c1C ZINC000012599666 568869658 /nfs/dbraw/zinc/86/96/58/568869658.db2.gz VIBBHCIGAAZPIA-DLBZAZTESA-N 1 1 411.502 3.340 50 0 HGAAMO O=C(COc1ccc(Cl)cc1)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000058022661 568878026 /nfs/dbraw/zinc/87/80/26/568878026.db2.gz FGDKAAYICVAAPN-UHFFFAOYSA-N 1 1 408.329 3.311 50 0 HGAAMO O=S(=O)(N[C@@H]1CCCC[C@H]1[NH+]1CCN(c2ccc(F)cc2)CC1)c1ccccc1 ZINC000058085793 568884008 /nfs/dbraw/zinc/88/40/08/568884008.db2.gz QVGHQOZTHWBEMR-FGZHOGPDSA-N 1 1 417.550 3.237 50 0 HGAAMO O=S(=O)(N[C@H]1CCCC[C@H]1[NH+]1CCN(c2ccccc2F)CC1)c1ccccc1 ZINC000058085814 568884028 /nfs/dbraw/zinc/88/40/28/568884028.db2.gz DOPYBUKPRYMXNB-RBBKRZOGSA-N 1 1 417.550 3.237 50 0 HGAAMO CCCCn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(OC)cc1)N1CCCCCC1=[NH+]2 ZINC000003426066 568900600 /nfs/dbraw/zinc/90/06/00/568900600.db2.gz RYDLVLYZMASOMD-HXUWFJFHSA-N 1 1 410.518 3.365 50 0 HGAAMO COc1ccc([C@@H]2CCC[N@@H+]2[C@@H](C(=O)N2CCOCC2)c2ccccc2)c(OC)c1 ZINC000012692154 568915577 /nfs/dbraw/zinc/91/55/77/568915577.db2.gz IDKWMHUXCDHLCE-JTHBVZDNSA-N 1 1 410.514 3.441 50 0 HGAAMO COc1ccc([C@@H]2CCC[N@H+]2[C@@H](C(=O)N2CCOCC2)c2ccccc2)c(OC)c1 ZINC000012692154 568915578 /nfs/dbraw/zinc/91/55/78/568915578.db2.gz IDKWMHUXCDHLCE-JTHBVZDNSA-N 1 1 410.514 3.441 50 0 HGAAMO Cc1cc(C(F)(F)F)n2ncc(C(=O)N[C@@H](C)C[N@H+]3CCc4ccccc4C3)c2n1 ZINC000670462006 568953115 /nfs/dbraw/zinc/95/31/15/568953115.db2.gz JKSISPZJZNZION-AWEZNQCLSA-N 1 1 417.435 3.233 50 0 HGAAMO O=C(C[N@@H+]1CCC[C@H]1c1cccs1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000007990855 568967227 /nfs/dbraw/zinc/96/72/27/568967227.db2.gz XAVMREMYRPAAFT-SFHVURJKSA-N 1 1 419.572 3.308 50 0 HGAAMO O=C(C[N@H+]1CCC[C@H]1c1cccs1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000007990855 568967229 /nfs/dbraw/zinc/96/72/29/568967229.db2.gz XAVMREMYRPAAFT-SFHVURJKSA-N 1 1 419.572 3.308 50 0 HGAAMO O=C(C[NH+]1CCC(c2nc3ccccc3s2)CC1)NC[C@H]1COc2ccccc2O1 ZINC000008076280 568972745 /nfs/dbraw/zinc/97/27/45/568972745.db2.gz ZSUPDKXRVSCOQD-KRWDZBQOSA-N 1 1 423.538 3.432 50 0 HGAAMO C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000008266567 568986117 /nfs/dbraw/zinc/98/61/17/568986117.db2.gz RGMFWZJLWGHHAD-CEXWTWQISA-N 1 1 419.591 3.310 50 0 HGAAMO O=C(Nc1ccc(N2CCOCC2)cc1)C1CC[NH+](Cc2nc3ccccc3[nH]2)CC1 ZINC000038489483 568997805 /nfs/dbraw/zinc/99/78/05/568997805.db2.gz URPNZGGONMBDST-UHFFFAOYSA-N 1 1 419.529 3.250 50 0 HGAAMO C[C@H]1CCC[N@@H+](CC(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000012858537 569011458 /nfs/dbraw/zinc/01/14/58/569011458.db2.gz CMDRFEMCQDXWLA-LBPRGKRZSA-N 1 1 405.848 3.488 50 0 HGAAMO CCCCCNC(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2[C@H]1c1ccc(O)c(OC)c1 ZINC000002156081 569014732 /nfs/dbraw/zinc/01/47/32/569014732.db2.gz COYIMEITIZUVMK-SXSPYAJSSA-N 1 1 404.551 3.375 50 0 HGAAMO CCCCCNC(=O)C[N@H+]1CC[C@]2(O)CCCC[C@@H]2[C@H]1c1ccc(O)c(OC)c1 ZINC000002156081 569014733 /nfs/dbraw/zinc/01/47/33/569014733.db2.gz COYIMEITIZUVMK-SXSPYAJSSA-N 1 1 404.551 3.375 50 0 HGAAMO CCNC(=O)[C@H](C)Nc1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCCC3 ZINC000012885249 569019472 /nfs/dbraw/zinc/01/94/72/569019472.db2.gz REUWGEPYHBFWBY-AWEZNQCLSA-N 1 1 401.580 3.493 50 0 HGAAMO CN(CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)C(=O)c1ccco1 ZINC000012886637 569019521 /nfs/dbraw/zinc/01/95/21/569019521.db2.gz XHTPZKBIQKWDKU-UHFFFAOYSA-N 1 1 417.509 3.285 50 0 HGAAMO COc1cc2c(cc1OC)C[N@H+](C[C@H](O)COc1cccc(Br)c1)CC2 ZINC000012904130 569021000 /nfs/dbraw/zinc/02/10/00/569021000.db2.gz PZGSHTMOUJEEIE-KRWDZBQOSA-N 1 1 422.319 3.264 50 0 HGAAMO COc1cc2c(cc1OC)C[N@@H+](C[C@H](O)COc1cccc(Br)c1)CC2 ZINC000012904130 569021001 /nfs/dbraw/zinc/02/10/01/569021001.db2.gz PZGSHTMOUJEEIE-KRWDZBQOSA-N 1 1 422.319 3.264 50 0 HGAAMO COc1cc2c(cc1OC)C[N@H+](C[C@@H](O)COc1ccc(Br)cc1)CC2 ZINC000012904108 569021039 /nfs/dbraw/zinc/02/10/39/569021039.db2.gz IUHWDFPIIVOATI-QGZVFWFLSA-N 1 1 422.319 3.264 50 0 HGAAMO COc1cc2c(cc1OC)C[N@@H+](C[C@@H](O)COc1ccc(Br)cc1)CC2 ZINC000012904108 569021040 /nfs/dbraw/zinc/02/10/40/569021040.db2.gz IUHWDFPIIVOATI-QGZVFWFLSA-N 1 1 422.319 3.264 50 0 HGAAMO COc1cc2c(cc1OC)C[N@H+](C[C@@H](O)COc1cccc(Br)c1)CC2 ZINC000012904126 569021043 /nfs/dbraw/zinc/02/10/43/569021043.db2.gz PZGSHTMOUJEEIE-QGZVFWFLSA-N 1 1 422.319 3.264 50 0 HGAAMO COc1cc2c(cc1OC)C[N@@H+](C[C@@H](O)COc1cccc(Br)c1)CC2 ZINC000012904126 569021044 /nfs/dbraw/zinc/02/10/44/569021044.db2.gz PZGSHTMOUJEEIE-QGZVFWFLSA-N 1 1 422.319 3.264 50 0 HGAAMO C[N@@H+](CCCNC(=O)c1cccc(-n2nnc3cccnc32)c1)Cc1ccccc1 ZINC000035482567 569039580 /nfs/dbraw/zinc/03/95/80/569039580.db2.gz NJXQWXGITDRVTR-UHFFFAOYSA-N 1 1 400.486 3.067 50 0 HGAAMO Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000013020821 569051161 /nfs/dbraw/zinc/05/11/61/569051161.db2.gz NWBMXEQYPGHNND-UHFFFAOYSA-N 1 1 422.504 3.390 50 0 HGAAMO O=C(NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000240551668 569054654 /nfs/dbraw/zinc/05/46/54/569054654.db2.gz GVHGNIFAAQTNGQ-MOPGFXCFSA-N 1 1 414.500 3.365 50 0 HGAAMO CCNC(=O)[C@@H]1Cc2ccc(OC)cc2N2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@H]12 ZINC000035871741 569064067 /nfs/dbraw/zinc/06/40/67/569064067.db2.gz XZKSEUOVYCDAFR-IFMALSPDSA-N 1 1 413.949 3.348 50 0 HGAAMO CC[N@@H+](C)[C@@H](C)CCNC(=O)c1csc2c1CCN(Cc1c(C)noc1C)C2 ZINC000426599566 569073552 /nfs/dbraw/zinc/07/35/52/569073552.db2.gz LCINTPSDAUCYQF-AWEZNQCLSA-N 1 1 404.580 3.371 50 0 HGAAMO COCCC[N@H+](Cc1ccc(OC)c(OC)c1)C[C@@H](O)COCc1ccccc1 ZINC000036095905 569090073 /nfs/dbraw/zinc/09/00/73/569090073.db2.gz OWVJMWKIZUKRPG-OAQYLSRUSA-N 1 1 403.519 3.120 50 0 HGAAMO COc1cccc(C[N@@H+]2CC=C(C(=O)Nc3ccc(N4CCOCC4)cc3)CC2)c1 ZINC000064818008 569101232 /nfs/dbraw/zinc/10/12/32/569101232.db2.gz NVHYIBPDEKEXFA-UHFFFAOYSA-N 1 1 407.514 3.303 50 0 HGAAMO CCN(CC)C(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000036250178 569119141 /nfs/dbraw/zinc/11/91/41/569119141.db2.gz AJSRNLMCFLOMIA-FQEVSTJZSA-N 1 1 407.505 3.150 50 0 HGAAMO CC(C)(C)CC(=O)N1CC[NH+]([C@@H](C(=O)NCCc2ccccc2)C2CCCC2)CC1 ZINC000036252956 569119854 /nfs/dbraw/zinc/11/98/54/569119854.db2.gz TXGBRXKIKSTPOI-HSZRJFAPSA-N 1 1 413.606 3.485 50 0 HGAAMO Cc1cccc(C2=NN(C(=O)C[NH+]3CCC(C(N)=O)CC3)[C@@H](c3ccc(F)cc3)C2)c1 ZINC000036342946 569142219 /nfs/dbraw/zinc/14/22/19/569142219.db2.gz WYSMEVNZPAMKNQ-JOCHJYFZSA-N 1 1 422.504 3.009 50 0 HGAAMO Cc1c(C(=O)NCCC[N@H+](C)Cc2ccccc2)sc2nc3n(c(=O)c12)CCCC3 ZINC000006840947 569151413 /nfs/dbraw/zinc/15/14/13/569151413.db2.gz AXQJRMRQBZKVNI-UHFFFAOYSA-N 1 1 424.570 3.355 50 0 HGAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1sc2nc3n(c(=O)c2c1C)CCC3 ZINC000006841340 569151845 /nfs/dbraw/zinc/15/18/45/569151845.db2.gz IKKNCWJQIJMOKO-OAHLLOKOSA-N 1 1 402.564 3.097 50 0 HGAAMO CCc1ccc(NC(=O)[C@@H](CCSC)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000036550280 569199122 /nfs/dbraw/zinc/19/91/22/569199122.db2.gz SFAJBHFFAZTTBJ-NHCUHLMSSA-N 1 1 411.571 3.140 50 0 HGAAMO Cc1nn(Cc2ccccc2)c2nc(C)cc(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c12 ZINC000036616374 569207507 /nfs/dbraw/zinc/20/75/07/569207507.db2.gz CEYSAWSPZXKTFY-IHWFROFDSA-N 1 1 403.530 3.451 50 0 HGAAMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(I)c1 ZINC000014602428 569260544 /nfs/dbraw/zinc/26/05/44/569260544.db2.gz ZTINVCNTDPUGFZ-KRWDZBQOSA-N 1 1 406.267 3.296 50 0 HGAAMO CC[NH+]1CCN(c2nnc(-n3cccc3C(=O)NCCC3=CCCCC3)s2)CC1 ZINC000007006098 569260870 /nfs/dbraw/zinc/26/08/70/569260870.db2.gz XEIVQVIGNSWQCT-UHFFFAOYSA-N 1 1 414.579 3.091 50 0 HGAAMO O[C@H](COCc1cccs1)C[N@H+]1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000089774528 569263805 /nfs/dbraw/zinc/26/38/05/569263805.db2.gz KRLFBOVKRHFLTK-RYRKJORJSA-N 1 1 401.450 3.452 50 0 HGAAMO Cc1cc(C)c(NC(=O)C(=O)NCCC[N@@H+]2CCO[C@@H](c3ccccc3)C2)c(C)c1 ZINC000016993957 569270922 /nfs/dbraw/zinc/27/09/22/569270922.db2.gz BAQLRTNNSUDXBW-OAQYLSRUSA-N 1 1 409.530 3.130 50 0 HGAAMO Cc1cc(C)c(NC(=O)C(=O)NCCC[N@H+]2CCO[C@@H](c3ccccc3)C2)c(C)c1 ZINC000016993957 569270923 /nfs/dbraw/zinc/27/09/23/569270923.db2.gz BAQLRTNNSUDXBW-OAQYLSRUSA-N 1 1 409.530 3.130 50 0 HGAAMO Cc1cc(C)c(NC(=O)C(=O)NCCC[N@@H+]2CCO[C@H](c3ccccc3)C2)c(C)c1 ZINC000016993960 569271073 /nfs/dbraw/zinc/27/10/73/569271073.db2.gz BAQLRTNNSUDXBW-NRFANRHFSA-N 1 1 409.530 3.130 50 0 HGAAMO Cc1cc(C)c(NC(=O)C(=O)NCCC[N@H+]2CCO[C@H](c3ccccc3)C2)c(C)c1 ZINC000016993960 569271074 /nfs/dbraw/zinc/27/10/74/569271074.db2.gz BAQLRTNNSUDXBW-NRFANRHFSA-N 1 1 409.530 3.130 50 0 HGAAMO O=C([C@@H]1C[C@H](CN2CCOCC2)C[N@@H+](Cc2ccc3ccccc3c2)C1)N1CCCC1 ZINC000014744034 569271839 /nfs/dbraw/zinc/27/18/39/569271839.db2.gz GVKVMRZTGHLIIS-RCZVLFRGSA-N 1 1 421.585 3.233 50 0 HGAAMO COc1cccc(N2CCN(C3CC[NH+](C[C@@H]4COc5ccccc5O4)CC3)CC2)c1 ZINC000252492658 569290613 /nfs/dbraw/zinc/29/06/13/569290613.db2.gz MRSRAUYUHDOUKR-HSZRJFAPSA-N 1 1 423.557 3.122 50 0 HGAAMO CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)C[N@@H+]3CCC[C@@H](C)C3)c21 ZINC000002262670 569325350 /nfs/dbraw/zinc/32/53/50/569325350.db2.gz LUEVSJIYBKGQMX-CQSZACIVSA-N 1 1 401.507 3.342 50 0 HGAAMO CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)C[N@H+]3CCC[C@@H](C)C3)c21 ZINC000002262670 569325351 /nfs/dbraw/zinc/32/53/51/569325351.db2.gz LUEVSJIYBKGQMX-CQSZACIVSA-N 1 1 401.507 3.342 50 0 HGAAMO C[C@@H]1[C@H]2CC[C@@]3(O)[C@@H]4C[C@H](O)[C@H]5C[C@H](O)CC[C@@]5(C)[C@H]4C[C@H]3[C@@H]2C[N@H+]2CCCC[C@@H]12 ZINC000253487501 569381608 /nfs/dbraw/zinc/38/16/08/569381608.db2.gz LENMDDFRAPDCRB-KKMDYWBDSA-N 1 1 417.634 3.432 50 0 HGAAMO C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000013062938 569408407 /nfs/dbraw/zinc/40/84/07/569408407.db2.gz WOVUWEXTIHITJF-KSZLIROESA-N 1 1 407.580 3.166 50 0 HGAAMO O=C(c1ccco1)N1CC[NH+](C[C@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000019287612 569414595 /nfs/dbraw/zinc/41/45/95/569414595.db2.gz QZNOGWXLGHKSCQ-SFHVURJKSA-N 1 1 403.482 3.206 50 0 HGAAMO COCCN(CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000079024583 569424773 /nfs/dbraw/zinc/42/47/73/569424773.db2.gz VBXPKKYANUBTPK-AZUAARDMSA-N 1 1 419.566 3.039 50 0 HGAAMO O=C(C[N@@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1)N1CCN(c2ccccn2)CC1 ZINC000040051485 571145215 /nfs/dbraw/zinc/14/52/15/571145215.db2.gz QEZUQRBADUYNDU-XMMPIXPASA-N 1 1 412.537 3.378 50 0 HGAAMO CCN1CC[NH+](Cc2ccccc2CNC(=O)CSc2ccc(F)cc2)CC1 ZINC000040089838 571159802 /nfs/dbraw/zinc/15/98/02/571159802.db2.gz SWAAAFSPDDASHD-UHFFFAOYSA-N 1 1 401.551 3.372 50 0 HGAAMO NC(=O)c1cccc(C(=O)NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)c1 ZINC000040112632 571170904 /nfs/dbraw/zinc/17/09/04/571170904.db2.gz WFPYTFSSJSEZOS-HXUWFJFHSA-N 1 1 405.523 3.376 50 0 HGAAMO NC(=O)c1cccc(C(=O)NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)c1 ZINC000040112632 571170906 /nfs/dbraw/zinc/17/09/06/571170906.db2.gz WFPYTFSSJSEZOS-HXUWFJFHSA-N 1 1 405.523 3.376 50 0 HGAAMO Cc1cc(CSc2ncccc2C(=O)NCc2ccnc(-n3cc[nH+]c3C)c2)no1 ZINC000040114447 571172035 /nfs/dbraw/zinc/17/20/35/571172035.db2.gz UNPIYHOMBQLOJN-UHFFFAOYSA-N 1 1 420.498 3.489 50 0 HGAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)[C@H]2Cc3ccccc3N2C(=O)c2ccccc2)C1 ZINC000245276335 571222319 /nfs/dbraw/zinc/22/23/19/571222319.db2.gz TUQGSJCJHVPFTB-WMZHIEFXSA-N 1 1 405.542 3.496 50 0 HGAAMO COc1ccc(C[N@@H+](C[C@@H](O)COc2ccccc2)C[C@H]2CCCO2)cc1OC ZINC000245280349 571222551 /nfs/dbraw/zinc/22/25/51/571222551.db2.gz NOVNBTNIEHSDQI-TZIWHRDSSA-N 1 1 401.503 3.125 50 0 HGAAMO CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CCc3sccc3[C@H]2c2ccccc2C)CC1 ZINC000245328337 571225373 /nfs/dbraw/zinc/22/53/73/571225373.db2.gz NHZCYZIPAKKYQU-VGOFRKELSA-N 1 1 411.571 3.083 50 0 HGAAMO COc1ccc(CNC2=[NH+][C@@H](c3ccc(Cl)cc3)n3c(=O)cc(C)nc3N2)cc1 ZINC000009225426 571238895 /nfs/dbraw/zinc/23/88/95/571238895.db2.gz BKSZUOMDHSRIAN-LJQANCHMSA-N 1 1 409.877 3.332 50 0 HGAAMO CCCNC(=O)c1nnn(-c2cccc3c2CC[N@@H+](Cc2ccc(F)cc2)C3)c1C ZINC000069895171 571248514 /nfs/dbraw/zinc/24/85/14/571248514.db2.gz QSYHSAONWURUKS-UHFFFAOYSA-N 1 1 407.493 3.413 50 0 HGAAMO O=C(C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000009645006 571276168 /nfs/dbraw/zinc/27/61/68/571276168.db2.gz AGVNETRFBYXVQT-CYBMUJFWSA-N 1 1 407.499 3.284 50 0 HGAAMO O=C(C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000009645006 571276170 /nfs/dbraw/zinc/27/61/70/571276170.db2.gz AGVNETRFBYXVQT-CYBMUJFWSA-N 1 1 407.499 3.284 50 0 HGAAMO CC[N@H+](CC(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1)Cc1cccc(F)c1 ZINC000010055940 132244471 /nfs/dbraw/zinc/24/44/71/132244471.db2.gz GDMFWNSHJUTBCL-UHFFFAOYSA-N 1 1 415.484 3.338 50 0 HGAAMO CC[N@@H+](CC(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1)Cc1cccc(F)c1 ZINC000010055940 132244473 /nfs/dbraw/zinc/24/44/73/132244473.db2.gz GDMFWNSHJUTBCL-UHFFFAOYSA-N 1 1 415.484 3.338 50 0 HGAAMO CCOc1ccc(C[N@H+](C)CC(=O)Nc2ccc(N3CCOCC3)cc2)cc1OC ZINC000003584260 132266992 /nfs/dbraw/zinc/26/69/92/132266992.db2.gz ODQBYTRTGPYQDI-UHFFFAOYSA-N 1 1 413.518 3.001 50 0 HGAAMO CCOc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(N3CCOCC3)cc2)cc1OC ZINC000003584260 132266993 /nfs/dbraw/zinc/26/69/93/132266993.db2.gz ODQBYTRTGPYQDI-UHFFFAOYSA-N 1 1 413.518 3.001 50 0 HGAAMO CCC(C)(C)c1ccc2c(c1)N(CC(=O)NCCC[N@H+]1CCCC[C@H]1C)C(=O)CO2 ZINC000004454932 132277116 /nfs/dbraw/zinc/27/71/16/132277116.db2.gz KMTAAMURNONASN-GOSISDBHSA-N 1 1 415.578 3.480 50 0 HGAAMO Cc1ccc([C@H]2[NH+]=C(N3CCN(c4ccccc4)CC3)Nc3nc(C)cc(=O)n32)cc1 ZINC000009264593 132337994 /nfs/dbraw/zinc/33/79/94/132337994.db2.gz JFWFDWVZIXKYIQ-QFIPXVFZSA-N 1 1 414.513 3.011 50 0 HGAAMO CN1c2cc(C(=O)NCCC[N@@H+](C)C3CCCCC3)ccc2N2CCCC[C@H]2C1=O ZINC000009528832 132340615 /nfs/dbraw/zinc/34/06/15/132340615.db2.gz WWWZZCTYRYWNGT-NRFANRHFSA-N 1 1 412.578 3.406 50 0 HGAAMO COc1ccc(F)c(C[NH2+][C@@H]2CCCc3nc(N4CCC(CO)CC4)ncc32)c1 ZINC000011704683 132350158 /nfs/dbraw/zinc/35/01/58/132350158.db2.gz RFSXKBOXVPQDDF-HXUWFJFHSA-N 1 1 400.498 3.000 50 0 HGAAMO COc1c(C)c[nH+]c(CN2CC[NH+]([C@@H](C(=O)[O-])c3c[nH]c4ccccc43)CC2)c1C ZINC000031812211 521812277 /nfs/dbraw/zinc/81/22/77/521812277.db2.gz GPYUPZRUAYKCED-OAQYLSRUSA-N 1 1 408.502 3.132 50 0 HGAAMO C[NH+](C)[C@H](CNC(=O)[C@H]1CCCN(C(=O)c2ccoc2)C1)c1ccccc1Cl ZINC000043728864 522079555 /nfs/dbraw/zinc/07/95/55/522079555.db2.gz NQXFGMRKTUGEPS-HNAYVOBHSA-N 1 1 403.910 3.204 50 0 HGAAMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)CCNC(=O)Cc3ccccc3)cc2)C1 ZINC000032930080 524233235 /nfs/dbraw/zinc/23/32/35/524233235.db2.gz WNMMZDNOMBXDHQ-HXUWFJFHSA-N 1 1 407.558 3.284 50 0 HGAAMO Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CCCN(C(=O)c4ccoc4)C3)CC2)cc1 ZINC000032827639 524446150 /nfs/dbraw/zinc/44/61/50/524446150.db2.gz HNFMOQDXRCQFCX-OAQYLSRUSA-N 1 1 409.530 3.175 50 0 HGAAMO C[C@@H](CNC(=O)COCc1nc2ccccc2s1)[NH+]1CCN(c2ccccc2)CC1 ZINC000032724274 524654140 /nfs/dbraw/zinc/65/41/40/524654140.db2.gz QFSUONFGNATXJF-SFHVURJKSA-N 1 1 424.570 3.140 50 0 HGAAMO COc1ccc(N[C@@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1OC(F)F ZINC000042642730 524697033 /nfs/dbraw/zinc/69/70/33/524697033.db2.gz OWZPCKRSPWXWBN-INIZCTEOSA-N 1 1 419.472 3.441 50 0 HGAAMO Cc1ccccc1C[N@@H+]1CCN(Cc2cn(C)nc2-c2ccccc2)C[C@@H]1CCO ZINC000020598300 525144867 /nfs/dbraw/zinc/14/48/67/525144867.db2.gz TUGMIXCVICOGBQ-DEOSSOPVSA-N 1 1 404.558 3.464 50 0 HGAAMO Cc1c(NC(=O)CC[N@H+]2CCC[C@H](C(F)(F)F)C2)c(=O)n(-c2ccccc2)n1C ZINC000032870766 525834638 /nfs/dbraw/zinc/83/46/38/525834638.db2.gz ZHSFTMGSWJQYTF-HNNXBMFYSA-N 1 1 410.440 3.087 50 0 HGAAMO Cc1ccc(-c2noc(-c3ccc(OCC(=O)N4CCC[N@H+](C)CC4)cc3)n2)cc1 ZINC000032579045 525868929 /nfs/dbraw/zinc/86/89/29/525868929.db2.gz AJEZRRCQUIYFOQ-UHFFFAOYSA-N 1 1 406.486 3.255 50 0 HGAAMO O=C(CCc1cn(-c2ccccc2)nc1-c1ccccc1)NCCC[NH+]1CCOCC1 ZINC000032975036 526635881 /nfs/dbraw/zinc/63/58/81/526635881.db2.gz CLLSTUQREPYYKI-UHFFFAOYSA-N 1 1 418.541 3.310 50 0 HGAAMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000032873759 527045955 /nfs/dbraw/zinc/04/59/55/527045955.db2.gz SQLQDFGOPBPPBE-IRLDBZIGSA-N 1 1 409.505 3.069 50 0 HGAAMO COc1cccc(N2CC[NH+](Cc3cccc(C(=O)NCc4ccncc4)c3)CC2)c1 ZINC000034684811 557387971 /nfs/dbraw/zinc/38/79/71/557387971.db2.gz DVCSWQIRGHKVKM-UHFFFAOYSA-N 1 1 416.525 3.342 50 0 HGAAMO CC(=O)N1CCCN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2C)CC1 ZINC000034787953 557469522 /nfs/dbraw/zinc/46/95/22/557469522.db2.gz ISFZIBGNCFEEHC-HSZRJFAPSA-N 1 1 411.571 3.085 50 0 HGAAMO CC(=O)N1CCCN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccccc2C)CC1 ZINC000034787953 557469525 /nfs/dbraw/zinc/46/95/25/557469525.db2.gz ISFZIBGNCFEEHC-HSZRJFAPSA-N 1 1 411.571 3.085 50 0 HGAAMO CCn1c(C)cc(O)c([C@H](c2ccncc2)[NH+]2CCN(c3ccc(F)cc3)CC2)c1=O ZINC000022697520 557784309 /nfs/dbraw/zinc/78/43/09/557784309.db2.gz AOMNRYCKUKOPOB-QHCPKHFHSA-N 1 1 422.504 3.328 50 0 HGAAMO O=C(NCCc1ccncc1)[C@H]1CCC[N@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000011820575 558284029 /nfs/dbraw/zinc/28/40/29/558284029.db2.gz DXYFXJGCCZNAHE-QHCPKHFHSA-N 1 1 406.574 3.117 50 0 HGAAMO Cc1ccc(C(=O)NCCc2nnc3n2CC[N@H+](Cc2ccc(C)cc2C)CC3)cc1 ZINC000011908870 558296061 /nfs/dbraw/zinc/29/60/61/558296061.db2.gz XHFZOOPQLGSEJL-UHFFFAOYSA-N 1 1 417.557 3.234 50 0 HGAAMO COC(=O)c1ccc(C[N@H+]2CCC[C@H](N3CCN(c4ccccc4F)CC3)C2)cc1 ZINC000019865632 558298910 /nfs/dbraw/zinc/29/89/10/558298910.db2.gz CAEDPSCGYQYFGJ-NRFANRHFSA-N 1 1 411.521 3.399 50 0 HGAAMO C[C@@H](CC[N@@H+]1CCc2nnc(CNC(=O)c3ccccc3)n2CC1)c1ccccc1 ZINC000011999316 558307925 /nfs/dbraw/zinc/30/79/25/558307925.db2.gz SZJGTLXWRPVEON-IBGZPJMESA-N 1 1 403.530 3.260 50 0 HGAAMO COc1cccc(CN2CC[N@@H+](C3CCN(Cc4ccccc4)CC3)CCC2=O)c1 ZINC000012037570 558312157 /nfs/dbraw/zinc/31/21/57/558312157.db2.gz AYIIOCQJIWGINX-UHFFFAOYSA-N 1 1 407.558 3.394 50 0 HGAAMO COc1cccc(CN2CC[N@H+](C3CCN(Cc4ccccc4)CC3)CCC2=O)c1 ZINC000012037570 558312159 /nfs/dbraw/zinc/31/21/59/558312159.db2.gz AYIIOCQJIWGINX-UHFFFAOYSA-N 1 1 407.558 3.394 50 0 HGAAMO CN(C[C@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1)C(=O)CCN1CCCC1=O ZINC000012072671 558317960 /nfs/dbraw/zinc/31/79/60/558317960.db2.gz VRBMZAOYCSDDHR-LJQANCHMSA-N 1 1 405.970 3.065 50 0 HGAAMO COc1cc(C[NH2+]Cc2ccccc2C)ccc1OC[C@@H](O)CN1CCSCC1 ZINC000012076215 558319963 /nfs/dbraw/zinc/31/99/63/558319963.db2.gz NVSDCLGIZUGBBW-NRFANRHFSA-N 1 1 416.587 3.082 50 0 HGAAMO O=C(NCCC[N@@H+]1CCC[C@@H](O)C1)c1ccc2oc(CCc3ccccc3)nc2c1 ZINC000012206002 558352820 /nfs/dbraw/zinc/35/28/20/558352820.db2.gz FULQXJOPRRRVSN-HXUWFJFHSA-N 1 1 407.514 3.190 50 0 HGAAMO CC(=O)N1CCN(Cc2ccc3c(c2)C[N@H+](Cc2cc(C)cc(C)c2)CCO3)CC1 ZINC000012213066 558354100 /nfs/dbraw/zinc/35/41/00/558354100.db2.gz WERBZDMFTBXDIM-UHFFFAOYSA-N 1 1 407.558 3.362 50 0 HGAAMO COc1cc(C[NH2+]Cc2cccc(C)c2)ccc1OC[C@@H](O)CN1CCSCC1 ZINC000012299046 558369135 /nfs/dbraw/zinc/36/91/35/558369135.db2.gz PRQDEHBYXGWYML-NRFANRHFSA-N 1 1 416.587 3.082 50 0 HGAAMO Cc1nccn1-c1ccc(NC(=O)[C@@H]2CCC[N@H+]2C2CSCCSC2)cc1 ZINC000012301978 558371541 /nfs/dbraw/zinc/37/15/41/558371541.db2.gz NNPZXYCXRCYNIX-IBGZPJMESA-N 1 1 402.589 3.432 50 0 HGAAMO CCOc1ccccc1CN1CC[N@@H+](Cc2ccc(-n3cccn3)cc2)C[C@@H]1CCO ZINC000020514109 558382634 /nfs/dbraw/zinc/38/26/34/558382634.db2.gz BVFBHTWIIPUHAN-DEOSSOPVSA-N 1 1 420.557 3.340 50 0 HGAAMO O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020639327 558397264 /nfs/dbraw/zinc/39/72/64/558397264.db2.gz PLNQDHOHVKLMNY-UHFFFAOYSA-N 1 1 409.574 3.054 50 0 HGAAMO Cc1oc2cc(OCC(=O)N3CC[NH+](C)CC3)ccc2c(=O)c1Oc1ccccc1 ZINC000020647836 558397623 /nfs/dbraw/zinc/39/76/23/558397623.db2.gz MCFYMUWFRWTXNQ-UHFFFAOYSA-N 1 1 408.454 3.047 50 0 HGAAMO COC(=O)c1ccc(C[N@H+]2CCC[C@@H](CNC(=O)Cc3ccc(OC)cc3)C2)cc1 ZINC000012464011 558419840 /nfs/dbraw/zinc/41/98/40/558419840.db2.gz VKIPHTCAMKBSOV-FQEVSTJZSA-N 1 1 410.514 3.053 50 0 HGAAMO CC(C)[NH+]1CCC(N2CCN(Cc3ccc(C(F)(F)F)cc3)C[C@@H]2CCO)CC1 ZINC000020905809 558420679 /nfs/dbraw/zinc/42/06/79/558420679.db2.gz YBIWAEZTFIKQNX-NRFANRHFSA-N 1 1 413.528 3.447 50 0 HGAAMO COc1cc(C[NH2+]C2CCCCCC2)ccc1OC[C@@H](O)CN1CCSCC1 ZINC000012707421 558450518 /nfs/dbraw/zinc/45/05/18/558450518.db2.gz SKNKBUDTWMNXFB-FQEVSTJZSA-N 1 1 408.608 3.296 50 0 HGAAMO C[C@@H]1C[C@@H](C)C[NH+](Cc2csc(NC(=O)CCNC(=O)c3ccccc3)n2)C1 ZINC000022292757 558476757 /nfs/dbraw/zinc/47/67/57/558476757.db2.gz JJTZYKKOBJZXOW-HZPDHXFCSA-N 1 1 400.548 3.380 50 0 HGAAMO C[C@H]1C[C@H](C)C[NH+](Cc2csc(NC(=O)c3cccc(CS(C)(=O)=O)c3)n2)C1 ZINC000022295081 558477085 /nfs/dbraw/zinc/47/70/85/558477085.db2.gz IFFXFOMOZVGDEG-GJZGRUSLSA-N 1 1 421.588 3.418 50 0 HGAAMO Cc1nn([C@H](C)C(=O)N2CC[NH+](Cc3ccc(C)cc3)CC2)cc1Br ZINC000022418595 558488675 /nfs/dbraw/zinc/48/86/75/558488675.db2.gz JJVBUJQSGWNKHF-MRXNPFEDSA-N 1 1 405.340 3.168 50 0 HGAAMO O=S(=O)(NCc1ccc(C[NH+]2CCOCC2)cc1)c1cccc(Cl)c1Cl ZINC000012994631 558498093 /nfs/dbraw/zinc/49/80/93/558498093.db2.gz SWGLYPGLGQZFCX-UHFFFAOYSA-N 1 1 415.342 3.304 50 0 HGAAMO CC(=O)Nc1ccc(NC(=O)CN2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000022844773 558516336 /nfs/dbraw/zinc/51/63/36/558516336.db2.gz GKYREQWDVUJIOU-UHFFFAOYSA-N 1 1 414.937 3.445 50 0 HGAAMO CC(=O)Nc1ccc(NC(=O)CN2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000022844773 558516339 /nfs/dbraw/zinc/51/63/39/558516339.db2.gz GKYREQWDVUJIOU-UHFFFAOYSA-N 1 1 414.937 3.445 50 0 HGAAMO CCOc1ccc(C[N@@H+]2CCN(Cc3c(OC)cccc3OC)C[C@@H]2CCO)cc1 ZINC000022851458 558516755 /nfs/dbraw/zinc/51/67/55/558516755.db2.gz AKEAVYIGOLWGPU-FQEVSTJZSA-N 1 1 414.546 3.171 50 0 HGAAMO CCOc1ccc(C[N@H+]2CCN(Cc3c(OC)cccc3OC)C[C@@H]2CCO)cc1 ZINC000022851458 558516757 /nfs/dbraw/zinc/51/67/57/558516757.db2.gz AKEAVYIGOLWGPU-FQEVSTJZSA-N 1 1 414.546 3.171 50 0 HGAAMO Cc1ccc(-n2cccn2)c(CN2CC[N@@H+](CCc3ccccc3)[C@H](CCO)C2)c1 ZINC000022852359 558516845 /nfs/dbraw/zinc/51/68/45/558516845.db2.gz AOXVSVKJVOCOGS-XMMPIXPASA-N 1 1 404.558 3.292 50 0 HGAAMO Cc1ccc(-n2cccn2)c(C[N@@H+]2CCN(CCc3ccccc3)[C@H](CCO)C2)c1 ZINC000022852359 558516847 /nfs/dbraw/zinc/51/68/47/558516847.db2.gz AOXVSVKJVOCOGS-XMMPIXPASA-N 1 1 404.558 3.292 50 0 HGAAMO Cc1ccc(-n2cccn2)c(C[N@H+]2CCN(CCc3ccccc3)[C@H](CCO)C2)c1 ZINC000022852359 558516848 /nfs/dbraw/zinc/51/68/48/558516848.db2.gz AOXVSVKJVOCOGS-XMMPIXPASA-N 1 1 404.558 3.292 50 0 HGAAMO CN(CC[N@H+]1CCc2ccccc2C1)Cc1cn(C)nc1-c1ccc2c(c1)OCCO2 ZINC000022851279 558516905 /nfs/dbraw/zinc/51/69/05/558516905.db2.gz BHQHSDHYWBAPCU-UHFFFAOYSA-N 1 1 418.541 3.348 50 0 HGAAMO Cn1cc(C[N@H+](C)CCN2CCc3ccccc3C2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000022851279 558516907 /nfs/dbraw/zinc/51/69/07/558516907.db2.gz BHQHSDHYWBAPCU-UHFFFAOYSA-N 1 1 418.541 3.348 50 0 HGAAMO Cn1cc(C[N@@H+](C)CCN2CCc3ccccc3C2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000022851279 558516908 /nfs/dbraw/zinc/51/69/08/558516908.db2.gz BHQHSDHYWBAPCU-UHFFFAOYSA-N 1 1 418.541 3.348 50 0 HGAAMO O=C(c1nc2sccn2c1CN1CC[NH+](Cc2ccccc2)CC1)N1CCCCC1 ZINC000022913907 558520790 /nfs/dbraw/zinc/52/07/90/558520790.db2.gz BUANLNQOOJCALE-UHFFFAOYSA-N 1 1 423.586 3.340 50 0 HGAAMO CC(C)(C)c1ccc(C[NH+]2CCN(CC(=O)Nc3cccc4nonc43)CC2)cc1 ZINC000022923372 558522906 /nfs/dbraw/zinc/52/29/06/558522906.db2.gz PAKDXMCTYYHLLX-UHFFFAOYSA-N 1 1 407.518 3.277 50 0 HGAAMO O=C(CC[NH+]1CCN(CC(=O)Nc2cccc(F)c2)CC1)Nc1ccccc1Cl ZINC000022930009 558524052 /nfs/dbraw/zinc/52/40/52/558524052.db2.gz CDHPGOIQSIUQHO-UHFFFAOYSA-N 1 1 418.900 3.064 50 0 HGAAMO C[C@@H](NC(=O)C[NH+]1CCC(NC(=O)c2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000023147536 558538349 /nfs/dbraw/zinc/53/83/49/558538349.db2.gz WMTKEULAVGEMOF-OAHLLOKOSA-N 1 1 401.457 3.036 50 0 HGAAMO Cc1ccccc1C[NH+]1CCN(C(=O)[C@@H](NC(=O)Cc2ccccc2)C(C)C)CC1 ZINC000023638344 558563973 /nfs/dbraw/zinc/56/39/73/558563973.db2.gz XTXPSGCGRZSKCJ-DEOSSOPVSA-N 1 1 407.558 3.023 50 0 HGAAMO COc1cc(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)ccc1OCC(C)C ZINC000023653529 558565404 /nfs/dbraw/zinc/56/54/04/558565404.db2.gz KRFBEQJPBFFBAU-UHFFFAOYSA-N 1 1 404.551 3.495 50 0 HGAAMO CCOc1cc(C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)ccc1OC(F)F ZINC000026061985 558654439 /nfs/dbraw/zinc/65/44/39/558654439.db2.gz LNBRGYQSJVLAHE-MRXNPFEDSA-N 1 1 400.466 3.163 50 0 HGAAMO CC(C)C[N@@H+]1C[C@H](C(=O)NCCc2c[nH]cn2)C[C@H](COc2ccc3c(c2)CCC3)C1 ZINC000014537971 558658652 /nfs/dbraw/zinc/65/86/52/558658652.db2.gz GJTGPLHNNSHEKZ-SIKLNZKXSA-N 1 1 424.589 3.230 50 0 HGAAMO CC(C)C[N@H+]1C[C@H](C(=O)NCCc2cnc[nH]2)C[C@H](COc2ccc3c(c2)CCC3)C1 ZINC000014537971 558658654 /nfs/dbraw/zinc/65/86/54/558658654.db2.gz GJTGPLHNNSHEKZ-SIKLNZKXSA-N 1 1 424.589 3.230 50 0 HGAAMO CC(C)C[N@@H+]1C[C@H](C(=O)NCCc2cnc[nH]2)C[C@H](COc2ccc3c(c2)CCC3)C1 ZINC000014537971 558658656 /nfs/dbraw/zinc/65/86/56/558658656.db2.gz GJTGPLHNNSHEKZ-SIKLNZKXSA-N 1 1 424.589 3.230 50 0 HGAAMO CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H]([N@@H+](C)Cc1ccccc1)C2 ZINC000014748897 558670126 /nfs/dbraw/zinc/67/01/26/558670126.db2.gz NBKDHJYLLCHLCN-HXUWFJFHSA-N 1 1 410.562 3.001 50 0 HGAAMO Cc1cc(O[C@H](C)C(=O)NCC2(N3CC[NH+](C)CC3)CCCCC2)ccc1Cl ZINC000027744304 558681107 /nfs/dbraw/zinc/68/11/07/558681107.db2.gz OQNPEZFMHQZZMC-GOSISDBHSA-N 1 1 407.986 3.482 50 0 HGAAMO CNC(=O)NC(=O)[C@@H](C)N1CC[NH+](Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000027903749 558684304 /nfs/dbraw/zinc/68/43/04/558684304.db2.gz HZXIDJPSKBDFOC-CQSZACIVSA-N 1 1 420.966 3.030 50 0 HGAAMO COc1ccc(-c2nn(-c3ccccc3F)cc2C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000014974969 558688850 /nfs/dbraw/zinc/68/88/50/558688850.db2.gz CHBJQIGQSWUVRP-KRWDZBQOSA-N 1 1 408.477 3.384 50 0 HGAAMO CC(C)C(=O)N[C@H](C)c1nnc2n1CC[N@H+](Cc1ccccc1-c1ccco1)CC2 ZINC000015001198 558697874 /nfs/dbraw/zinc/69/78/74/558697874.db2.gz UMUCXALRBKTDNB-QGZVFWFLSA-N 1 1 407.518 3.430 50 0 HGAAMO O=C(C[N@@H+]1CCCC[C@H]1CNC(=O)Nc1ccccc1)NCCc1cccs1 ZINC000030590263 558733547 /nfs/dbraw/zinc/73/35/47/558733547.db2.gz VZYZLICLAKJXKV-SFHVURJKSA-N 1 1 400.548 3.083 50 0 HGAAMO O=C(C[N@H+]1CCCC[C@H]1CNC(=O)Nc1ccccc1)NCCc1cccs1 ZINC000030590263 558733548 /nfs/dbraw/zinc/73/35/48/558733548.db2.gz VZYZLICLAKJXKV-SFHVURJKSA-N 1 1 400.548 3.083 50 0 HGAAMO CC[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Cc1ccc(N2CCCC2=O)cc1 ZINC000072303029 558755545 /nfs/dbraw/zinc/75/55/45/558755545.db2.gz JIESTORFQQGAEV-QFIPXVFZSA-N 1 1 405.542 3.479 50 0 HGAAMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cc(-c2ccc3c(c2)OCCO3)on1 ZINC000015859676 558757355 /nfs/dbraw/zinc/75/73/55/558757355.db2.gz TZPRWENEJMQZKP-KRWDZBQOSA-N 1 1 409.442 3.273 50 0 HGAAMO COc1cc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)N2CCCCC2)ccc1O ZINC000016031701 558769424 /nfs/dbraw/zinc/76/94/24/558769424.db2.gz WTNJGYFYMAQZAK-SXSPYAJSSA-N 1 1 402.535 3.081 50 0 HGAAMO O=C(c1ccccc1OCCOc1ccccc1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000032987922 558807930 /nfs/dbraw/zinc/80/79/30/558807930.db2.gz FKJYNPOCOFATIL-OAQYLSRUSA-N 1 1 410.514 3.081 50 0 HGAAMO COc1ccc(Nc2nc(N3CC[NH+](C)CC3)nc3c2cnn3-c2ccccc2)cc1 ZINC000016916066 558809221 /nfs/dbraw/zinc/80/92/21/558809221.db2.gz IQVWDUWMSBQBMS-UHFFFAOYSA-N 1 1 415.501 3.320 50 0 HGAAMO Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)NCCC[NH+]3CCOCC3)c12 ZINC000017091888 558820376 /nfs/dbraw/zinc/82/03/76/558820376.db2.gz RPPFWYGOMFRCTH-UHFFFAOYSA-N 1 1 419.529 3.058 50 0 HGAAMO COc1cc(Cl)c(CN2CC[N@@H+](Cc3ccccc3)[C@H](CCO)C2)cc1OC ZINC000039543147 558822197 /nfs/dbraw/zinc/82/21/97/558822197.db2.gz BIYDENYUONLJES-LJQANCHMSA-N 1 1 404.938 3.426 50 0 HGAAMO O=C(CN1CCC[C@@H]1C[N@@H+]1CCC[C@@H]1CO)Nc1ccc(Cl)cc1C(F)(F)F ZINC000072313482 558840325 /nfs/dbraw/zinc/84/03/25/558840325.db2.gz XTVBQGINVZTBSJ-HUUCEWRRSA-N 1 1 419.875 3.218 50 0 HGAAMO COc1cc(Cl)cc(CN2CC[N@H+](Cc3cccs3)[C@@H](CCO)C2)c1OC ZINC000019229228 558853403 /nfs/dbraw/zinc/85/34/03/558853403.db2.gz WOPDDJFGNYICDY-KRWDZBQOSA-N 1 1 410.967 3.488 50 0 HGAAMO COc1cc(Cl)cc(CN2CC[N@@H+](Cc3cccs3)[C@@H](CCO)C2)c1OC ZINC000019229228 558853406 /nfs/dbraw/zinc/85/34/06/558853406.db2.gz WOPDDJFGNYICDY-KRWDZBQOSA-N 1 1 410.967 3.488 50 0 HGAAMO CN(C[C@H]1CCC[N@H+]1C)C(=O)c1cc(CN2CCC(Cc3ccccc3)CC2)on1 ZINC000067975609 558862479 /nfs/dbraw/zinc/86/24/79/558862479.db2.gz IKWYCGCLKLZZPR-OAQYLSRUSA-N 1 1 410.562 3.296 50 0 HGAAMO Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CCCc3ccccc3)C2)cc1N1CCNC1=O ZINC000067973849 558862528 /nfs/dbraw/zinc/86/25/28/558862528.db2.gz SUYVXNGDZUXXKL-QFIPXVFZSA-N 1 1 420.557 3.352 50 0 HGAAMO COc1ccc(Cl)cc1NC(=O)c1nc2ccccc2nc1N1CC[NH+](C)CC1 ZINC000033086046 558870747 /nfs/dbraw/zinc/87/07/47/558870747.db2.gz AUORXVUJYZUGPL-UHFFFAOYSA-N 1 1 411.893 3.296 50 0 HGAAMO COc1ccccc1N1CC[NH+]([C@H]2CCCN(C(=O)c3cccc(N(C)C)c3)C2)CC1 ZINC000055072665 558871527 /nfs/dbraw/zinc/87/15/27/558871527.db2.gz YJMTXRLTTSKGGX-QFIPXVFZSA-N 1 1 422.573 3.188 50 0 HGAAMO Cc1ccccc1OCC(=O)Nc1cc(C(=O)N2CC[NH+](C)CC2)ccc1Cl ZINC000071376425 558897175 /nfs/dbraw/zinc/89/71/75/558897175.db2.gz QMZSBXXRCYAKSQ-UHFFFAOYSA-N 1 1 401.894 3.054 50 0 HGAAMO C[C@@H](CNC(=O)NC[C@@H]1CCN(c2ccc(F)cc2)C1)[N@H+]1CCc2ccccc2C1 ZINC000058415919 558925235 /nfs/dbraw/zinc/92/52/35/558925235.db2.gz JBJMMQAHGMGAEP-OALUTQOASA-N 1 1 410.537 3.398 50 0 HGAAMO COc1cc(OC)cc(C(=O)NCCC[N@@H+](C)CCCN(C)Cc2ccccc2)c1 ZINC000059181912 558932277 /nfs/dbraw/zinc/93/22/77/558932277.db2.gz MBWADNOWIMRHFY-UHFFFAOYSA-N 1 1 413.562 3.278 50 0 HGAAMO COc1cccc(-c2nc3cc4c(cc3cc2C[N@H+]2CC=C[C@@H]2CO)OCO4)c1OC ZINC000072419373 558978469 /nfs/dbraw/zinc/97/84/69/558978469.db2.gz VNFZBKKLWVMUMF-QGZVFWFLSA-N 1 1 420.465 3.380 50 0 HGAAMO c1nnnn1CCC[N@H+]1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067650580 558990759 /nfs/dbraw/zinc/99/07/59/558990759.db2.gz CCZQUJQOJUDFSJ-UHFFFAOYSA-N 1 1 400.486 3.290 50 0 HGAAMO O[C@H](COc1cccc2ccccc21)C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000023118762 559013423 /nfs/dbraw/zinc/01/34/23/559013423.db2.gz NTCWWRSQWYCCOP-NRFANRHFSA-N 1 1 420.509 3.126 50 0 HGAAMO CCC(C)(C)C(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000082099141 559037915 /nfs/dbraw/zinc/03/79/15/559037915.db2.gz ZZCFLXPJNWQNDG-NRFANRHFSA-N 1 1 413.606 3.485 50 0 HGAAMO Cc1ccccc1CNC(=O)[C@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000082115404 559038936 /nfs/dbraw/zinc/03/89/36/559038936.db2.gz MPJVBBNKMPIIBX-QHCPKHFHSA-N 1 1 406.574 3.383 50 0 HGAAMO O=C(NCc1ccc(F)cc1)[C@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000082148242 559041042 /nfs/dbraw/zinc/04/10/42/559041042.db2.gz FARPVQFUIDSUQY-NRFANRHFSA-N 1 1 410.537 3.214 50 0 HGAAMO Cc1nc2cc(OCc3nc(C(=O)NCC[C@H]4CCC[N@@H+]4C)co3)ccc2s1 ZINC000091943950 559074673 /nfs/dbraw/zinc/07/46/73/559074673.db2.gz OGGOWWSYKRMEFV-CQSZACIVSA-N 1 1 400.504 3.386 50 0 HGAAMO Cn1ccc2ccc(C[NH+]3CCC4(CC3)c3[nH]cnc3CCN4C(=O)C3CC3)cc21 ZINC000095522890 559085590 /nfs/dbraw/zinc/08/55/90/559085590.db2.gz PSAKGUWSCFLQOZ-UHFFFAOYSA-N 1 1 403.530 3.187 50 0 HGAAMO CCCCOc1ccc(N2C(=O)C[C@@H](N3CC[NH+](Cc4ccccc4)CC3)C2=O)cc1 ZINC000096295188 559108819 /nfs/dbraw/zinc/10/88/19/559108819.db2.gz LSJZXGBTQFCYAN-HSZRJFAPSA-N 1 1 421.541 3.315 50 0 HGAAMO O=C1Nc2ccccc2[C@@]12[C@H]1C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000247714414 559113443 /nfs/dbraw/zinc/11/34/43/559113443.db2.gz MKPIBSLBSTYPPT-AVJFOWIRSA-N 1 1 423.472 3.271 50 0 HGAAMO C[C@@H]1C[C@@H](C)C[NH+](Cc2csc(NC(=O)Cc3n[nH]c(=O)c4ccccc34)n2)C1 ZINC000014528826 559167488 /nfs/dbraw/zinc/16/74/88/559167488.db2.gz JCWIMQWXUDKMST-ZIAGYGMSSA-N 1 1 411.531 3.039 50 0 HGAAMO CCn1c(=O)cc(OCC(=O)NCCC[N@@H+](C)Cc2ccccc2)c2ccccc21 ZINC000005067229 559240055 /nfs/dbraw/zinc/24/00/55/559240055.db2.gz JXUQWLYTAHXORD-UHFFFAOYSA-N 1 1 407.514 3.039 50 0 HGAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)CCCOc2cc(=O)n(C)c3ccccc23)C1 ZINC000005067718 559240119 /nfs/dbraw/zinc/24/01/19/559240119.db2.gz YRFJHTORJJBTTF-KDURUIRLSA-N 1 1 413.562 3.182 50 0 HGAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21 ZINC000247915203 559249424 /nfs/dbraw/zinc/24/94/24/559249424.db2.gz MLICOSSRVQCELY-ORQYLMBXSA-N 1 1 421.884 3.080 50 0 HGAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000247915203 559249426 /nfs/dbraw/zinc/24/94/26/559249426.db2.gz MLICOSSRVQCELY-ORQYLMBXSA-N 1 1 421.884 3.080 50 0 HGAAMO COCCCN(C[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)c1cc(-c2ccncc2)n[nH]1 ZINC000409415104 560723485 /nfs/dbraw/zinc/72/34/85/560723485.db2.gz TYWNKCPILYIKAG-UGKGYDQZSA-N 1 1 411.550 3.215 50 0 HGAAMO COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)c1cc(-c2ccncc2)[nH]n1 ZINC000409415104 560723486 /nfs/dbraw/zinc/72/34/86/560723486.db2.gz TYWNKCPILYIKAG-UGKGYDQZSA-N 1 1 411.550 3.215 50 0 HGAAMO COCCCN(C[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)c1cc(-c2ccncc2)[nH]n1 ZINC000409415104 560723487 /nfs/dbraw/zinc/72/34/87/560723487.db2.gz TYWNKCPILYIKAG-UGKGYDQZSA-N 1 1 411.550 3.215 50 0 HGAAMO COC(=O)c1ccccc1N(C)C(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000011287833 560771755 /nfs/dbraw/zinc/77/17/55/560771755.db2.gz ITBNJQKOZZCTJA-LJQANCHMSA-N 1 1 424.497 3.434 50 0 HGAAMO COC(=O)c1ccccc1N(C)C(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000011287833 560771757 /nfs/dbraw/zinc/77/17/57/560771757.db2.gz ITBNJQKOZZCTJA-LJQANCHMSA-N 1 1 424.497 3.434 50 0 HGAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1 ZINC000106309366 560889743 /nfs/dbraw/zinc/88/97/43/560889743.db2.gz RVSLLEQIYSTXSK-FPOVZHCZSA-N 1 1 407.562 3.351 50 0 HGAAMO CCOC(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2Cc2c(F)cccc2Cl)CC1 ZINC000048289700 568435050 /nfs/dbraw/zinc/43/50/50/568435050.db2.gz JKONTYOLLWFNOD-MRXNPFEDSA-N 1 1 410.917 3.288 50 0 HGAAMO CCOC(=O)C1CCN(C(=O)C[N@H+]2CCC[C@@H]2Cc2c(F)cccc2Cl)CC1 ZINC000048289700 568435052 /nfs/dbraw/zinc/43/50/52/568435052.db2.gz JKONTYOLLWFNOD-MRXNPFEDSA-N 1 1 410.917 3.288 50 0 HGAAMO CC(C)C(=O)NC1CC[NH+](Cc2cc(=O)n3c(-c4ccccc4)csc3n2)CC1 ZINC000048290850 568435169 /nfs/dbraw/zinc/43/51/69/568435169.db2.gz FUFGIOCIRDGTNF-UHFFFAOYSA-N 1 1 410.543 3.160 50 0 HGAAMO Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+][C@H]1CCCc2c1cnn2CCO ZINC000048314612 568437889 /nfs/dbraw/zinc/43/78/89/568437889.db2.gz HSPITQPGFHFNQR-SFHVURJKSA-N 1 1 403.889 3.329 50 0 HGAAMO O=C(NC1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1)c1ccc(F)cc1 ZINC000048312552 568438995 /nfs/dbraw/zinc/43/89/95/568438995.db2.gz JDOKJBNDOMVHDV-NRFANRHFSA-N 1 1 423.532 3.459 50 0 HGAAMO Cc1occc1C(=O)Nc1nc(CC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000048333153 568439509 /nfs/dbraw/zinc/43/95/09/568439509.db2.gz SNGSBGXRTPPMAU-KRWDZBQOSA-N 1 1 424.526 3.230 50 0 HGAAMO Cc1cc(N2CCCCC2)nc2ccc(NC(=O)CCC(=O)N3CC[NH+](C)CC3)cc12 ZINC000020137911 568590142 /nfs/dbraw/zinc/59/01/42/568590142.db2.gz JOYBPYSREUBHJY-UHFFFAOYSA-N 1 1 423.561 3.026 50 0 HGAAMO CC[NH+]1CCN([C@H](c2cccs2)[C@@H](C)NC(=O)c2cccc(OC)c2OC)CC1 ZINC000020288085 568597451 /nfs/dbraw/zinc/59/74/51/568597451.db2.gz JGRZWCOBOHKORQ-UZLBHIALSA-N 1 1 417.575 3.262 50 0 HGAAMO C[N@H+](Cc1ccccc1)C[C@H](O)CN1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000095408258 568606345 /nfs/dbraw/zinc/60/63/45/568606345.db2.gz QMAJSKZMIOQYGY-QHCPKHFHSA-N 1 1 417.553 3.091 50 0 HGAAMO C[C@H](OC[C@@H]1CCCCO1)C(=O)Nc1ccnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000225494134 568643049 /nfs/dbraw/zinc/64/30/49/568643049.db2.gz WSQBRNLMPJFREI-TYPHKJRUSA-N 1 1 412.534 3.243 50 0 HGAAMO C[C@H](OC[C@H]1CCCCO1)C(=O)Nc1ccnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000225494201 568643102 /nfs/dbraw/zinc/64/31/02/568643102.db2.gz WSQBRNLMPJFREI-CEWLAPEOSA-N 1 1 412.534 3.243 50 0 HGAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)COCc2cc(-c3ccc(F)cc3)on2)C1 ZINC000020925724 568651340 /nfs/dbraw/zinc/65/13/40/568651340.db2.gz AWBUBLUQTCABSV-CALCHBBNSA-N 1 1 403.498 3.482 50 0 HGAAMO Cc1cc(C)n(Cc2c(C)onc2C(=O)NC[C@@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)n1 ZINC000020994055 568656262 /nfs/dbraw/zinc/65/62/62/568656262.db2.gz CLGDMKSBVPGQIG-NRFANRHFSA-N 1 1 421.545 3.405 50 0 HGAAMO Cc1c(C)c(=O)oc2c(C)c(OCC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)ccc12 ZINC000096113758 568693440 /nfs/dbraw/zinc/69/34/40/568693440.db2.gz SNIKVBGKVAIQCY-AZUAARDMSA-N 1 1 412.530 3.478 50 0 biogenic HGAAMO O=C(COCc1cc(-c2cccs2)on1)NCCC[N@H+]1CCc2ccccc2C1 ZINC000021528178 568709952 /nfs/dbraw/zinc/70/99/52/568709952.db2.gz NHIRORVUMUIOJI-UHFFFAOYSA-N 1 1 411.527 3.484 50 0 HGAAMO Cc1cc(N2CC[NH+](C/C=C/c3ccccc3)CC2)n2nc(C(F)(F)F)nc2n1 ZINC000012421729 568720930 /nfs/dbraw/zinc/72/09/30/568720930.db2.gz RUUFSSJYRGWTEL-VMPITWQZSA-N 1 1 402.424 3.287 50 0 HGAAMO CCOC(=O)C1C(C[NH2+]CCc2ccc(OCC)cc2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000085993822 568745100 /nfs/dbraw/zinc/74/51/00/568745100.db2.gz IFYDJSOVZBAADG-JOCHJYFZSA-N 1 1 423.513 3.089 50 0 HGAAMO CC(C)[C@H](CNC(=O)[C@@H](NC(=O)c1ccco1)C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000025536107 568774609 /nfs/dbraw/zinc/77/46/09/568774609.db2.gz DFSVNQGRLZNUQZ-UNMCSNQZSA-N 1 1 411.546 3.233 50 0 HGAAMO COc1ccc(CCNC(=O)N[C@@H](C[N@H+](C)C2CCN(C)CC2)c2ccccc2)cc1 ZINC000058158653 568893777 /nfs/dbraw/zinc/89/37/77/568893777.db2.gz XLFFATITFGDWCF-DEOSSOPVSA-N 1 1 424.589 3.304 50 0 HGAAMO COc1ccc(CCNC(=O)N[C@@H](C[N@@H+](C)C2CCN(C)CC2)c2ccccc2)cc1 ZINC000058158653 568893778 /nfs/dbraw/zinc/89/37/78/568893778.db2.gz XLFFATITFGDWCF-DEOSSOPVSA-N 1 1 424.589 3.304 50 0 HGAAMO C[NH+](C)[C@@H](CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1)c1ccco1 ZINC000003417350 568899273 /nfs/dbraw/zinc/89/92/73/568899273.db2.gz IWNJTXQTRJDTOB-ROUUACIJSA-N 1 1 411.527 3.101 50 0 HGAAMO CC(C)[C@@H](CNC(=O)c1ccc(NC(=O)c2cccs2)cc1)[NH+]1CCOCC1 ZINC000012740309 568928707 /nfs/dbraw/zinc/92/87/07/568928707.db2.gz SYARRQYYAXJCLM-GOSISDBHSA-N 1 1 401.532 3.087 50 0 HGAAMO O=C(C[NH+]1CCC(C(=O)N2CCCCC2)CC1)NCCCSc1ccccc1 ZINC000012758547 568943522 /nfs/dbraw/zinc/94/35/22/568943522.db2.gz SNOZNDTTZVIAFT-UHFFFAOYSA-N 1 1 403.592 3.010 50 0 HGAAMO COc1ccc(-c2noc(C[NH+]3CCC(C(=O)NC4CCCC4)CC3)n2)cc1OC ZINC000015726395 568978145 /nfs/dbraw/zinc/97/81/45/568978145.db2.gz CMUADVJJQVBGIV-UHFFFAOYSA-N 1 1 414.506 3.025 50 0 HGAAMO CCCC[N@@H+](CC)CCCNC(=O)[C@@H]1CCCN(c2nnc(-n3cccc3)s2)C1 ZINC000015728121 568978855 /nfs/dbraw/zinc/97/88/55/568978855.db2.gz GDACXZNUWBPJJF-GOSISDBHSA-N 1 1 418.611 3.174 50 0 HGAAMO COc1ccc(C)cc1NC(=O)[C@H](C)[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000012819167 568990943 /nfs/dbraw/zinc/99/09/43/568990943.db2.gz XJSHCUKEWPPFOT-SFHVURJKSA-N 1 1 409.530 3.359 50 0 HGAAMO CN1CCC([N@@H+](C)C[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000006083735 568996045 /nfs/dbraw/zinc/99/60/45/568996045.db2.gz QNHZXTRGJXXAGI-JOCHJYFZSA-N 1 1 404.501 3.458 50 0 HGAAMO CC[C@@H](c1nnc(S[C@@H](C)C(=O)NC2CC2)n1-c1ccc(OC)cc1)[NH+](C)C ZINC000008427804 569002114 /nfs/dbraw/zinc/00/21/14/569002114.db2.gz FBTCVPVSQQZIEI-GUYCJALGSA-N 1 1 403.552 3.048 50 0 HGAAMO COc1cccc(C[N@@H+]2CCN(Cc3ccccc3OC(F)F)C[C@H]2CCO)c1 ZINC000104558731 569009055 /nfs/dbraw/zinc/00/90/55/569009055.db2.gz PQKPWRWFQLWFFX-LJQANCHMSA-N 1 1 406.473 3.365 50 0 HGAAMO COc1cccc(C[N@H+]2CCN(Cc3ccccc3OC(F)F)C[C@H]2CCO)c1 ZINC000104558731 569009056 /nfs/dbraw/zinc/00/90/56/569009056.db2.gz PQKPWRWFQLWFFX-LJQANCHMSA-N 1 1 406.473 3.365 50 0 HGAAMO C[C@@H]1CCC[N@@H+](CC(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000012858524 569011454 /nfs/dbraw/zinc/01/14/54/569011454.db2.gz CMDRFEMCQDXWLA-GFCCVEGCSA-N 1 1 405.848 3.488 50 0 HGAAMO CNC(=O)c1ccc(NC(=O)C[N@@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)cc1 ZINC000012912161 569021819 /nfs/dbraw/zinc/02/18/19/569021819.db2.gz WYKXSSWRBYLXQY-UHFFFAOYSA-N 1 1 409.486 3.158 50 0 HGAAMO O=C1Nc2ccccc2[C@]12[C@@H]1C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000016010115 569025606 /nfs/dbraw/zinc/02/56/06/569025606.db2.gz MKPIBSLBSTYPPT-MSZDEVHKSA-N 1 1 423.472 3.271 50 0 HGAAMO Cc1cc(C)cc(NC(=O)Cn2c(C)nc3c(c2=O)CC[N@H+](Cc2ccccc2)C3)c1 ZINC000035455985 569037912 /nfs/dbraw/zinc/03/79/12/569037912.db2.gz RIWMJFAVZQABAN-UHFFFAOYSA-N 1 1 416.525 3.366 50 0 HGAAMO Cc1cc(C)cc(NC(=O)Cn2c(C)nc3c(c2=O)CC[N@@H+](Cc2ccccc2)C3)c1 ZINC000035455985 569037913 /nfs/dbraw/zinc/03/79/13/569037913.db2.gz RIWMJFAVZQABAN-UHFFFAOYSA-N 1 1 416.525 3.366 50 0 HGAAMO Cc1cccc(NC(=O)Cn2c(C)nc3c(c2=O)CC[N@H+](Cc2ccccc2)C3)c1C ZINC000035456269 569037956 /nfs/dbraw/zinc/03/79/56/569037956.db2.gz GCACDGLEROOQBF-UHFFFAOYSA-N 1 1 416.525 3.366 50 0 HGAAMO Cc1cccc(NC(=O)Cn2c(C)nc3c(c2=O)CC[N@@H+](Cc2ccccc2)C3)c1C ZINC000035456269 569037957 /nfs/dbraw/zinc/03/79/57/569037957.db2.gz GCACDGLEROOQBF-UHFFFAOYSA-N 1 1 416.525 3.366 50 0 HGAAMO COC(=O)c1sccc1S(=O)(=O)NC[C@@H](c1csc2ccccc21)[NH+](C)C ZINC000575621425 569038982 /nfs/dbraw/zinc/03/89/82/569038982.db2.gz OEDZZAKGIXBTCD-AWEZNQCLSA-N 1 1 424.569 3.331 50 0 HGAAMO COc1cccc(C[N@@H+]2CCN(Cc3nc4c(s3)CCCC4)C[C@H]2CCO)c1 ZINC000225049914 569039826 /nfs/dbraw/zinc/03/98/26/569039826.db2.gz WLFQCGLWZRPYAQ-GOSISDBHSA-N 1 1 401.576 3.099 50 0 HGAAMO COc1cccc(C[N@H+]2CCN(Cc3nc4c(s3)CCCC4)C[C@H]2CCO)c1 ZINC000225049914 569039827 /nfs/dbraw/zinc/03/98/27/569039827.db2.gz WLFQCGLWZRPYAQ-GOSISDBHSA-N 1 1 401.576 3.099 50 0 HGAAMO C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)NCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC000040119356 569048104 /nfs/dbraw/zinc/04/81/04/569048104.db2.gz BRNMUYUTPMOACZ-FXYAVYNXSA-N 1 1 417.550 3.475 50 0 HGAAMO O=C([C@H]1CC(=O)N(Cc2ccc(Cl)cc2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000035686367 569050693 /nfs/dbraw/zinc/05/06/93/569050693.db2.gz BARVRAOINCPKQW-FQEVSTJZSA-N 1 1 411.933 3.033 50 0 HGAAMO COc1cccc(-c2noc(-c3ccc(N4CC[N@H+]5CCC[C@H]5C4)nc3)n2)c1OC ZINC000244685559 569055080 /nfs/dbraw/zinc/05/50/80/569055080.db2.gz ISKDFIMWBKCDHK-INIZCTEOSA-N 1 1 407.474 3.100 50 0 HGAAMO CCCCn1c(CN2CC[N@H+]3CCC[C@H]3C2)cnc1S(=O)(=O)CCCC(C)C ZINC000244659856 569056091 /nfs/dbraw/zinc/05/60/91/569056091.db2.gz HJWUOWOJVORFEB-IBGZPJMESA-N 1 1 410.628 3.173 50 0 HGAAMO C[N@@H+]1CC[C@@H](NC(=O)C2CCN(CC(F)(F)F)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000089375121 569059128 /nfs/dbraw/zinc/05/91/28/569059128.db2.gz MLCKUKIHEVTQGA-SJORKVTESA-N 1 1 403.876 3.476 50 0 HGAAMO C[N@H+]1CC[C@@H](NC(=O)C2CCN(CC(F)(F)F)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000089375121 569059129 /nfs/dbraw/zinc/05/91/29/569059129.db2.gz MLCKUKIHEVTQGA-SJORKVTESA-N 1 1 403.876 3.476 50 0 HGAAMO O=c1cc(C[NH+]2CCCCC2)nc(N2CCCN(Cc3cccc(Cl)c3)CC2)[nH]1 ZINC000035926891 569066488 /nfs/dbraw/zinc/06/64/88/569066488.db2.gz XJKIEQNSTFKUHV-UHFFFAOYSA-N 1 1 415.969 3.122 50 0 HGAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1csc2c1CCN(Cc1c(C)noc1C)C2 ZINC000426730375 569074071 /nfs/dbraw/zinc/07/40/71/569074071.db2.gz HHZPPVCWUVPQOM-MRXNPFEDSA-N 1 1 402.564 3.125 50 0 HGAAMO COCCC[N@H+](Cc1ccc(OC)c(OC)c1)C[C@H](O)COCc1ccccc1 ZINC000036095904 569089986 /nfs/dbraw/zinc/08/99/86/569089986.db2.gz OWVJMWKIZUKRPG-NRFANRHFSA-N 1 1 403.519 3.120 50 0 HGAAMO COc1cccc(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@@H](O)COCC(C)C)c1 ZINC000036098471 569090832 /nfs/dbraw/zinc/09/08/32/569090832.db2.gz JJEVFARBIUGXSW-HXUWFJFHSA-N 1 1 401.503 3.460 50 0 HGAAMO COC[C@@H](O)C[N@@H+](Cc1ccccc1F)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146551 569098769 /nfs/dbraw/zinc/09/87/69/569098769.db2.gz SOKAAQBZUXDCPM-OALUTQOASA-N 1 1 406.885 3.482 50 0 HGAAMO COC[C@@H](O)C[N@H+](Cc1ccccc1F)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146551 569098770 /nfs/dbraw/zinc/09/87/70/569098770.db2.gz SOKAAQBZUXDCPM-OALUTQOASA-N 1 1 406.885 3.482 50 0 HGAAMO CC(C)CC[N@@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)C[C@@H](O)COCC(C)C ZINC000036159180 569102572 /nfs/dbraw/zinc/10/25/72/569102572.db2.gz XBXFTUKTQQCAAR-MRXNPFEDSA-N 1 1 421.607 3.355 50 0 HGAAMO CC(C)CC[N@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)C[C@@H](O)COCC(C)C ZINC000036159180 569102573 /nfs/dbraw/zinc/10/25/73/569102573.db2.gz XBXFTUKTQQCAAR-MRXNPFEDSA-N 1 1 421.607 3.355 50 0 HGAAMO C[N@@H+](CCCNC(=O)Cn1c(=O)c2cccn2c2ccc(F)cc21)Cc1ccccc1 ZINC000006782447 569120545 /nfs/dbraw/zinc/12/05/45/569120545.db2.gz DREMGAMSKVZXLY-UHFFFAOYSA-N 1 1 420.488 3.032 50 0 HGAAMO C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@@H](C[NH+]4CCN(Cc5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000019369854 569124467 /nfs/dbraw/zinc/12/44/67/569124467.db2.gz WRMKBSBJQCLVBI-CVGQSACLSA-N 1 1 424.585 3.089 50 0 biogenic HGAAMO O=C(Nc1cccc(F)c1)N1CC[NH+]([C@H](C(=O)N2CCCC2)C2CCCC2)CC1 ZINC000036310691 569131772 /nfs/dbraw/zinc/13/17/72/569131772.db2.gz UNJSVIWDHTWLHC-FQEVSTJZSA-N 1 1 402.514 3.156 50 0 HGAAMO COCC(=O)N(CCC(C)C)Cc1c(-c2ccccc2)noc1N1CC[NH+](C)CC1 ZINC000036313491 569133511 /nfs/dbraw/zinc/13/35/11/569133511.db2.gz LRFWAIOPGKOEBL-UHFFFAOYSA-N 1 1 414.550 3.115 50 0 HGAAMO O=C(C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccc2c(c1)OCO2)NCc1ccccc1 ZINC000006927386 569183602 /nfs/dbraw/zinc/18/36/02/569183602.db2.gz OAPSQBRBZODEOZ-YNJKOYDBSA-N 1 1 422.525 3.400 50 0 biogenic HGAAMO O=C(C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccc2c(c1)OCO2)NCc1ccccc1 ZINC000006927386 569183603 /nfs/dbraw/zinc/18/36/03/569183603.db2.gz OAPSQBRBZODEOZ-YNJKOYDBSA-N 1 1 422.525 3.400 50 0 biogenic HGAAMO Cc1ccccc1OCC(=O)N1CCN(c2nc(C[NH+]3CCCCC3)cs2)CC1 ZINC000065200533 569193784 /nfs/dbraw/zinc/19/37/84/569193784.db2.gz NNHSZVKFDXGBCP-UHFFFAOYSA-N 1 1 414.575 3.165 50 0 HGAAMO Cc1ccc(C(=O)N2CCc3sc(C(=O)N4CC[NH+](C(C)C)CC4)cc3C2)cc1 ZINC000065201373 569195620 /nfs/dbraw/zinc/19/56/20/569195620.db2.gz AEVBPRMWFIBPLM-UHFFFAOYSA-N 1 1 411.571 3.421 50 0 HGAAMO CSCC[C@H](NC(=O)[C@H]1Cc2ccccc2C[NH2+]1)C(=O)Nc1cc(C)cc(C)c1 ZINC000036550919 569199144 /nfs/dbraw/zinc/19/91/44/569199144.db2.gz PDJBLAWXIUPELH-LEWJYISDSA-N 1 1 411.571 3.194 50 0 HGAAMO CSCC[C@@H](NC(=O)[C@H]1Cc2ccccc2C[NH2+]1)C(=O)Nc1cc(C)cc(C)c1 ZINC000036550918 569199156 /nfs/dbraw/zinc/19/91/56/569199156.db2.gz PDJBLAWXIUPELH-NHCUHLMSSA-N 1 1 411.571 3.194 50 0 HGAAMO Cc1ccc(-c2cc3c(=O)n(Cc4noc(C[N@H+]5CCC[C@@H](C)C5)n4)ccn3n2)cc1 ZINC000065235794 569202499 /nfs/dbraw/zinc/20/24/99/569202499.db2.gz MXVFOOUVDDMROY-QGZVFWFLSA-N 1 1 418.501 3.135 50 0 HGAAMO Cc1ccc(-c2cc3c(=O)n(Cc4noc(C[N@@H+]5CCC[C@@H](C)C5)n4)ccn3n2)cc1 ZINC000065235794 569202501 /nfs/dbraw/zinc/20/25/01/569202501.db2.gz MXVFOOUVDDMROY-QGZVFWFLSA-N 1 1 418.501 3.135 50 0 HGAAMO CC1CC[NH+](Cc2csc(N3CCN(C(=O)c4cccnc4Cl)CC3)n2)CC1 ZINC000065307338 569219686 /nfs/dbraw/zinc/21/96/86/569219686.db2.gz QOLKPLIWEOOVMY-UHFFFAOYSA-N 1 1 419.982 3.386 50 0 HGAAMO COc1ccc(Br)cc1C[N@H+](C)Cc1cc(=O)n2cc(C)ccc2n1 ZINC000007266316 569230928 /nfs/dbraw/zinc/23/09/28/569230928.db2.gz CYWFADAMIZDJPC-UHFFFAOYSA-N 1 1 402.292 3.406 50 0 HGAAMO COc1ccc(Br)cc1C[N@@H+](C)Cc1cc(=O)n2cc(C)ccc2n1 ZINC000007266316 569230929 /nfs/dbraw/zinc/23/09/29/569230929.db2.gz CYWFADAMIZDJPC-UHFFFAOYSA-N 1 1 402.292 3.406 50 0 HGAAMO CC[NH+]1CCN(C(=O)/C(=C/c2c[nH]c3ccccc23)NC(=O)c2ccccc2)CC1 ZINC000013579462 569256455 /nfs/dbraw/zinc/25/64/55/569256455.db2.gz DVAUHDNOCSENHE-JWGURIENSA-N 1 1 402.498 3.103 50 0 HGAAMO O[C@H](COCc1cccs1)C[N@H+]1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000089774526 569263781 /nfs/dbraw/zinc/26/37/81/569263781.db2.gz KRLFBOVKRHFLTK-BQFCYCMXSA-N 1 1 401.450 3.452 50 0 HGAAMO Cc1cc(C)cc(NC(=O)C(=O)NCCCC[N@@H+]2CCO[C@@H](c3ccccc3)C2)c1 ZINC000017010557 569271297 /nfs/dbraw/zinc/27/12/97/569271297.db2.gz OKDRDGXTUYZBJA-JOCHJYFZSA-N 1 1 409.530 3.212 50 0 HGAAMO Cc1cc(C)cc(NC(=O)C(=O)NCCCC[N@H+]2CCO[C@@H](c3ccccc3)C2)c1 ZINC000017010557 569271298 /nfs/dbraw/zinc/27/12/98/569271298.db2.gz OKDRDGXTUYZBJA-JOCHJYFZSA-N 1 1 409.530 3.212 50 0 HGAAMO COc1ccc([C@@H](O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)cc1OC ZINC000002133750 569287323 /nfs/dbraw/zinc/28/73/23/569287323.db2.gz RZTRQDYTALSTEQ-CVEARBPZSA-N 1 1 401.459 3.094 50 0 biogenic HGAAMO CC[NH+](CC)CCN(C(=O)c1ccco1)c1nc2c(cccc2S(C)(=O)=O)s1 ZINC000007599619 569288220 /nfs/dbraw/zinc/28/82/20/569288220.db2.gz YLBGYXGLHUSYPM-UHFFFAOYSA-N 1 1 421.544 3.281 50 0 HGAAMO FC(F)(F)c1ccc(N2CCN(C3CC[NH+](Cc4ccncc4)CC3)CC2)nc1 ZINC000252492698 569290566 /nfs/dbraw/zinc/29/05/66/569290566.db2.gz MSSPXUHQAHLBNV-UHFFFAOYSA-N 1 1 405.468 3.282 50 0 HGAAMO Cc1ccc(S(=O)(=O)N2CCC[N@H+](C[C@@H](O)c3ccc(Cl)cc3)CC2)cc1 ZINC000195567280 569312226 /nfs/dbraw/zinc/31/22/26/569312226.db2.gz ULSJDWWXMREUIY-HXUWFJFHSA-N 1 1 408.951 3.078 50 0 HGAAMO Cc1ccc(S(=O)(=O)N2CCC[N@@H+](C[C@@H](O)c3ccc(Cl)cc3)CC2)cc1 ZINC000195567280 569312227 /nfs/dbraw/zinc/31/22/27/569312227.db2.gz ULSJDWWXMREUIY-HXUWFJFHSA-N 1 1 408.951 3.078 50 0 HGAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(-n2cnc3ccccc3c2=O)cc1 ZINC000253412636 569366657 /nfs/dbraw/zinc/36/66/57/569366657.db2.gz ROXHLVNYKJLQGT-WMZHIEFXSA-N 1 1 416.525 3.380 50 0 biogenic HGAAMO CC[NH+]1CCN(C(=O)c2cnn(-c3nccc(-c4cc5ccccc5o4)n3)c2C)CC1 ZINC000055036667 569376210 /nfs/dbraw/zinc/37/62/10/569376210.db2.gz BLDITOBWRZYMNE-UHFFFAOYSA-N 1 1 416.485 3.162 50 0 HGAAMO CCOC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)C[N@@H+]1CCCC[C@@H]1CCO ZINC000002453245 569405490 /nfs/dbraw/zinc/40/54/90/569405490.db2.gz TZAZGZWAPPMIRL-CQSZACIVSA-N 1 1 407.898 3.173 50 0 HGAAMO CCOC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)C[N@H+]1CCCC[C@@H]1CCO ZINC000002453245 569405492 /nfs/dbraw/zinc/40/54/92/569405492.db2.gz TZAZGZWAPPMIRL-CQSZACIVSA-N 1 1 407.898 3.173 50 0 HGAAMO Cc1ccccc1C[N@H+](C)[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000013040382 569407983 /nfs/dbraw/zinc/40/79/83/569407983.db2.gz AIHXSZXTMAGJLH-GOSISDBHSA-N 1 1 415.559 3.239 50 0 HGAAMO CC1(C)C[C@@H](C2N3CC4(c5ccccc5)C[NH+]2CC(c2ccccc2)(C3)C4O)CCO1 ZINC000019331522 569419912 /nfs/dbraw/zinc/41/99/12/569419912.db2.gz SKLWFEQPZRPBDH-DYPMPVPJSA-N 1 1 418.581 3.399 50 0 biogenic HGAAMO COc1ccc(Cc2nc3ccc(C(=O)N(C)CCC[NH+]4CCOCC4)cc3o2)cc1 ZINC000019743428 569429496 /nfs/dbraw/zinc/42/94/96/569429496.db2.gz RACBMNDPHDJIKB-UHFFFAOYSA-N 1 1 423.513 3.222 50 0 HGAAMO CCC[N@H+]1CCc2nc(SCC(=O)NCc3ccccc3Cl)[nH]c(=O)c2C1 ZINC000067291690 571067441 /nfs/dbraw/zinc/06/74/41/571067441.db2.gz POWVUOGITXFTSF-UHFFFAOYSA-N 1 1 406.939 3.012 50 0 HGAAMO C[C@H]1Cc2ccccc2N1C(=O)C[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000008883484 571140849 /nfs/dbraw/zinc/14/08/49/571140849.db2.gz HCZAZCFYGFUGKN-INIZCTEOSA-N 1 1 421.497 3.044 50 0 HGAAMO CC(C)Cc1ccc(C(=O)C2CC[NH+]([C@@H](C)C(=O)NC[C@H]3CCCO3)CC2)cc1 ZINC000040105853 571166487 /nfs/dbraw/zinc/16/64/87/571166487.db2.gz ZEIOQYRCIKDMOT-PGRDOPGGSA-N 1 1 400.563 3.464 50 0 HGAAMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2cccc(CS(C)(=O)=O)c2)C1 ZINC000040107129 571167666 /nfs/dbraw/zinc/16/76/66/571167666.db2.gz QHUDVLHGBNRCOV-GOSISDBHSA-N 1 1 414.571 3.393 50 0 HGAAMO C[C@@H](NC(=O)C[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)c1cccs1 ZINC000008943431 571169226 /nfs/dbraw/zinc/16/92/26/571169226.db2.gz JFZRYBGBWQVMNT-CQSZACIVSA-N 1 1 415.515 3.005 50 0 HGAAMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2ccc(=O)n(-c3ccccc3)n2)C1 ZINC000040112295 571170438 /nfs/dbraw/zinc/17/04/38/571170438.db2.gz VIMYRFUQYPLMNJ-IBGZPJMESA-N 1 1 416.525 3.394 50 0 HGAAMO Cc1occc1C(=O)Nc1nc(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000040128101 571179458 /nfs/dbraw/zinc/17/94/58/571179458.db2.gz VRDXKAFTQZQICO-UHFFFAOYSA-N 1 1 424.526 3.184 50 0 HGAAMO Cc1c(C(=O)N2CC[NH+](CCC(C)C)CC2)sc2nc3n(c(=O)c12)CCCCC3 ZINC000040158047 571204752 /nfs/dbraw/zinc/20/47/52/571204752.db2.gz IYCQIDCPVQBZFC-UHFFFAOYSA-N 1 1 416.591 3.297 50 0 HGAAMO Cc1c(C(=O)NC2CC2)nnn1-c1cccc2c1CC[N@H+](Cc1ccccc1F)C2 ZINC000069878043 571248036 /nfs/dbraw/zinc/24/80/36/571248036.db2.gz SOFKMLNZSMNVAC-UHFFFAOYSA-N 1 1 405.477 3.165 50 0 HGAAMO Cc1c(C(=O)NC2CC2)nnn1-c1cccc2c1CC[N@@H+](Cc1ccccc1F)C2 ZINC000069878043 571248038 /nfs/dbraw/zinc/24/80/38/571248038.db2.gz SOFKMLNZSMNVAC-UHFFFAOYSA-N 1 1 405.477 3.165 50 0 HGAAMO Cc1ccc(-n2nc(C(=O)NCC[C@@H]3CCC[N@@H+]3C)nc2Cc2ccccc2)cc1 ZINC000034911176 571316739 /nfs/dbraw/zinc/31/67/39/571316739.db2.gz FKNHMMCUZISHIH-FQEVSTJZSA-N 1 1 403.530 3.381 50 0 HGAAMO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC(=O)N2CCN(c3cccc(C)c3)CC2)c1 ZINC000010055978 132344876 /nfs/dbraw/zinc/34/48/76/132344876.db2.gz ISNTYDQFILSAGH-HSZRJFAPSA-N 1 1 423.557 3.498 50 0 HGAAMO COc1ccc(OC)c([C@H]2CCC[N@H+]2CC(=O)N2CCN(c3cccc(C)c3)CC2)c1 ZINC000010055978 132344877 /nfs/dbraw/zinc/34/48/77/132344877.db2.gz ISNTYDQFILSAGH-HSZRJFAPSA-N 1 1 423.557 3.498 50 0 HGAAMO O=C(N[C@H]1CCC[N@@H+](CCCc2ccccc2)C1)c1ccc(N2CCOCC2)cc1 ZINC000012307877 132358308 /nfs/dbraw/zinc/35/83/08/132358308.db2.gz YFJDDEGSIGHFJK-QHCPKHFHSA-N 1 1 407.558 3.350 50 0 HGAAMO CC(C)C(=O)Nc1ccc2c(c1)nc1n2CC(=O)N(C[C@@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000032124054 519524949 /nfs/dbraw/zinc/52/49/49/519524949.db2.gz NIIOKZHEXBIWMP-FXAWDEMLSA-N 1 1 423.561 3.238 50 0 biogenic HGAAMO CC[NH+]1CCN(C(=O)c2csc(NC(=O)c3ccc(Cl)c(Cl)c3)n2)CC1 ZINC000040355463 521671361 /nfs/dbraw/zinc/67/13/61/521671361.db2.gz JFDNCXMHSBTIAN-UHFFFAOYSA-N 1 1 413.330 3.480 50 0 HGAAMO COc1c(C)c[nH+]c(CN2CC[NH+]([C@@H](C(=O)[O-])c3c(C)[nH]c4ccccc43)CC2)c1C ZINC000031811167 521812181 /nfs/dbraw/zinc/81/21/81/521812181.db2.gz FXJBPRPUTHLKMP-JOCHJYFZSA-N 1 1 422.529 3.440 50 0 HGAAMO COC(=O)c1sc(NC(=O)C[N@@H+](C2CC2)C2CCCCC2)c(C(=O)OC)c1C ZINC000032913416 522424872 /nfs/dbraw/zinc/42/48/72/522424872.db2.gz VXHBOILHURBBFW-UHFFFAOYSA-N 1 1 408.520 3.365 50 0 HGAAMO C[N@H+](CC(=O)N1CCNC1=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000032513442 522443320 /nfs/dbraw/zinc/44/33/20/522443320.db2.gz RCVXDDNZPYREOE-UHFFFAOYSA-N 1 1 423.904 3.176 50 0 HGAAMO C[N@@H+](CC(=O)N1CCNC1=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000032513442 522443323 /nfs/dbraw/zinc/44/33/23/522443323.db2.gz RCVXDDNZPYREOE-UHFFFAOYSA-N 1 1 423.904 3.176 50 0 HGAAMO C[N@@H+](CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1CCc2ccccc21 ZINC000029482835 522509178 /nfs/dbraw/zinc/50/91/78/522509178.db2.gz MDOBJFGXXDEHGR-OAQYLSRUSA-N 1 1 413.543 3.029 50 0 HGAAMO C[N@@H+](CCCNC(=O)C[C@@H](NC(N)=O)c1ccc(Cl)cc1)Cc1ccccc1 ZINC000032765972 522755491 /nfs/dbraw/zinc/75/54/91/522755491.db2.gz DCROPYHRIPZRNY-LJQANCHMSA-N 1 1 402.926 3.078 50 0 HGAAMO COc1cc(OC)c(C2=CC[N@@H+](CCC(=O)Nc3cc(C)on3)CC2)c(OC)c1 ZINC000032860124 522791060 /nfs/dbraw/zinc/79/10/60/522791060.db2.gz TZRJAFQJEDHSIU-UHFFFAOYSA-N 1 1 401.463 3.127 50 0 HGAAMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)CCNC(=O)Cc2ccccc2)C1 ZINC000032930732 524234777 /nfs/dbraw/zinc/23/47/77/524234777.db2.gz MMMFEDLPTPFDHV-HXUWFJFHSA-N 1 1 407.558 3.284 50 0 HGAAMO Cc1cccc(C[NH+]2CCN(C(=O)CCNC(=O)c3ccc(F)cc3Cl)CC2)c1 ZINC000042387072 524395607 /nfs/dbraw/zinc/39/56/07/524395607.db2.gz LROQHWFPXUVABJ-UHFFFAOYSA-N 1 1 417.912 3.252 50 0 HGAAMO C[C@@H](CNS(=O)(=O)c1ccc(Br)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000028322647 524745699 /nfs/dbraw/zinc/74/56/99/524745699.db2.gz MEMWMEMBCPAPKI-AWEZNQCLSA-N 1 1 409.349 3.174 50 0 HGAAMO C[C@@H](CNS(=O)(=O)c1ccc(Br)cc1)[N@H+]1CCc2ccccc2C1 ZINC000028322647 524745705 /nfs/dbraw/zinc/74/57/05/524745705.db2.gz MEMWMEMBCPAPKI-AWEZNQCLSA-N 1 1 409.349 3.174 50 0 HGAAMO Cc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1 ZINC000032754405 526009027 /nfs/dbraw/zinc/00/90/27/526009027.db2.gz LVIXYRWBOCQZHQ-HXUWFJFHSA-N 1 1 401.532 3.021 50 0 HGAAMO Cc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1 ZINC000032754405 526009034 /nfs/dbraw/zinc/00/90/34/526009034.db2.gz LVIXYRWBOCQZHQ-HXUWFJFHSA-N 1 1 401.532 3.021 50 0 HGAAMO CSc1cccc(N2C[C@@H](C(=O)NCCC[N@H+]3CCc4ccccc4C3)CC2=O)c1 ZINC000032400605 526108695 /nfs/dbraw/zinc/10/86/95/526108695.db2.gz XASKRNFEZXDLOV-FQEVSTJZSA-N 1 1 423.582 3.326 50 0 HGAAMO O=C(C[N@H+]1CCC[C@@H](COCc2ccccc2)C1)N1CCN(c2ccccc2)CC1 ZINC000056908420 526749966 /nfs/dbraw/zinc/74/99/66/526749966.db2.gz LEYMIFBWOPFBFO-HSZRJFAPSA-N 1 1 407.558 3.264 50 0 HGAAMO O=C(COc1coc(C[NH+]2CCCCC2)cc1=O)Nc1cccc(Br)c1 ZINC000044890734 527002475 /nfs/dbraw/zinc/00/24/75/527002475.db2.gz CPZWOSJOGBNJMV-UHFFFAOYSA-N 1 1 421.291 3.406 50 0 HGAAMO O=CNc1ccc2c(c1)N(C(=O)CCN1CC[N@H+]3CCC[C@H]3C1)c1ccccc1CC2 ZINC000245239724 527142820 /nfs/dbraw/zinc/14/28/20/527142820.db2.gz AIAKWXSQLVHIPC-QFIPXVFZSA-N 1 1 418.541 3.188 50 0 HGAAMO Cc1[nH+]ccn1CC(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl ZINC000030696356 527389555 /nfs/dbraw/zinc/38/95/55/527389555.db2.gz VKNNCGONXJOZLV-UHFFFAOYSA-N 1 1 410.927 3.048 50 0 HGAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1c[nH]nc1-c1ccc(Cl)cc1 ZINC000032895578 527572440 /nfs/dbraw/zinc/57/24/40/527572440.db2.gz DZFRKZGQDFKSOO-UHFFFAOYSA-N 1 1 402.926 3.495 50 0 HGAAMO COc1ccccc1N1CCN(C2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)CC1 ZINC000001166236 537068286 /nfs/dbraw/zinc/06/82/86/537068286.db2.gz PTCHBYFZBBZWNS-UHFFFAOYSA-N 1 1 409.530 3.211 50 0 HGAAMO CC[NH+]1CCN(C(=O)c2ccccc2NC(=O)c2ccc(Br)cc2)CC1 ZINC000001155995 557213847 /nfs/dbraw/zinc/21/38/47/557213847.db2.gz KVTBLJNLEIXSSX-UHFFFAOYSA-N 1 1 416.319 3.479 50 0 HGAAMO CC(C)CNC(=O)c1coc(CN2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000034677911 557365496 /nfs/dbraw/zinc/36/54/96/557365496.db2.gz CWBLBKPWFCNAKB-UHFFFAOYSA-N 1 1 424.467 3.397 50 0 HGAAMO C[N@@H+]1CCN(C(=O)CC[C@]2(Cc3cccs3)CCC(=O)N2)[C@@H](c2ccccc2)C1 ZINC000019740926 558261543 /nfs/dbraw/zinc/26/15/43/558261543.db2.gz WBOMJYQHUITYEE-OFNKIYASSA-N 1 1 411.571 3.235 50 0 HGAAMO C[N@H+]1CCN(C(=O)CC[C@]2(Cc3cccs3)CCC(=O)N2)[C@@H](c2ccccc2)C1 ZINC000019740926 558261546 /nfs/dbraw/zinc/26/15/46/558261546.db2.gz WBOMJYQHUITYEE-OFNKIYASSA-N 1 1 411.571 3.235 50 0 HGAAMO CCn1c2ccccc2c2cc(C[NH+]3CCC(N4CCN(CCO)CC4)CC3)ccc21 ZINC000019868432 558299392 /nfs/dbraw/zinc/29/93/92/558299392.db2.gz HKPPIQMDFLQTHS-UHFFFAOYSA-N 1 1 420.601 3.389 50 0 HGAAMO CCC[N@H+](Cc1ccc(C(=O)NCc2cnc3ccccc3c2)c(=O)[nH]1)CC1CC1 ZINC000011982204 558306098 /nfs/dbraw/zinc/30/60/98/558306098.db2.gz BFEISHJPKGPESK-UHFFFAOYSA-N 1 1 404.514 3.475 50 0 HGAAMO CC(=O)Nc1ccc(OC[C@@H](O)C[NH+]2CCN(c3cc(Cl)ccc3C)CC2)cc1 ZINC000020029121 558323423 /nfs/dbraw/zinc/32/34/23/558323423.db2.gz CQJWMVQUXRHEJA-FQEVSTJZSA-N 1 1 417.937 3.169 50 0 HGAAMO CCOc1ccc(C[N@@H+]2CCN(Cc3cccn3-c3cccnc3)C[C@@H]2CCO)cc1 ZINC000020210409 558347451 /nfs/dbraw/zinc/34/74/51/558347451.db2.gz YGAXOMXVAAPJNR-QHCPKHFHSA-N 1 1 420.557 3.340 50 0 HGAAMO CCOc1ccc(C[N@H+]2CCN(Cc3cccn3-c3cccnc3)C[C@@H]2CCO)cc1 ZINC000020210409 558347454 /nfs/dbraw/zinc/34/74/54/558347454.db2.gz YGAXOMXVAAPJNR-QHCPKHFHSA-N 1 1 420.557 3.340 50 0 HGAAMO Cc1ccc(C(=O)N[C@@H](C(=O)N2CC[NH+](C)CC2)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000020351851 558356872 /nfs/dbraw/zinc/35/68/72/558356872.db2.gz MVUAHCCTZPMUGI-LFCNWEHWSA-N 1 1 409.574 3.084 50 0 HGAAMO Cc1cc(=O)oc2c(C)c(OCC(=O)N3CC[NH+](Cc4ccccc4)CC3)ccc12 ZINC000020412122 558360887 /nfs/dbraw/zinc/36/08/87/558360887.db2.gz MNMLHCFDRBZKPZ-UHFFFAOYSA-N 1 1 406.482 3.133 50 0 HGAAMO CC(C)[C@@H](NC(=O)c1ccccn1)c1nnc2n1CC[N@H+](CC1CCCCC1)CC2 ZINC000012244530 558361055 /nfs/dbraw/zinc/36/10/55/558361055.db2.gz SSOUBQPSZTZQRC-OAQYLSRUSA-N 1 1 410.566 3.239 50 0 HGAAMO COC(=O)C1CCN(C[C@H](O)COc2cccc(C[N@H+](C)C3CCCCC3)c2)CC1 ZINC000012372903 558390336 /nfs/dbraw/zinc/39/03/36/558390336.db2.gz XFVIDQOLXOKAGY-QFIPXVFZSA-N 1 1 418.578 3.076 50 0 HGAAMO COC(=O)C1CCN(C[C@H](O)COc2cccc(C[N@@H+](C)C3CCCCC3)c2)CC1 ZINC000012372903 558390337 /nfs/dbraw/zinc/39/03/37/558390337.db2.gz XFVIDQOLXOKAGY-QFIPXVFZSA-N 1 1 418.578 3.076 50 0 HGAAMO Cc1nn(CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2nc(C3CC3)cc(C(F)(F)F)c12 ZINC000020614321 558392076 /nfs/dbraw/zinc/39/20/76/558392076.db2.gz IIEKLOLXLQLENK-GOOCMWNKSA-N 1 1 421.467 3.377 50 0 HGAAMO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+](Cc3ccc(CO)o3)C2)c(OC)c1 ZINC000012386027 558394793 /nfs/dbraw/zinc/39/47/93/558394793.db2.gz LBOSCTWNGUFEGM-KRWDZBQOSA-N 1 1 416.518 3.098 50 0 HGAAMO CCOC(=O)C1C(C[N@@H+]2C[C@H](C)C[C@H](C)C2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000012412536 558401189 /nfs/dbraw/zinc/40/11/89/558401189.db2.gz GNKWWMYSQVHRQX-KSMMKXTCSA-N 1 1 405.926 3.489 50 0 HGAAMO CCOC(=O)C1=C(C[N@H+]2C[C@H](C)C[C@H](C)C2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000012412536 558401191 /nfs/dbraw/zinc/40/11/91/558401191.db2.gz GNKWWMYSQVHRQX-KSMMKXTCSA-N 1 1 405.926 3.489 50 0 HGAAMO CCOC(=O)C1=C(C[N@@H+]2C[C@H](C)C[C@H](C)C2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000012412536 558401192 /nfs/dbraw/zinc/40/11/92/558401192.db2.gz GNKWWMYSQVHRQX-KSMMKXTCSA-N 1 1 405.926 3.489 50 0 HGAAMO COc1ccc(CN(C)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)cc1Cn1cncn1 ZINC000020780933 558412791 /nfs/dbraw/zinc/41/27/91/558412791.db2.gz HECOVNQJWHBSMS-DEOSSOPVSA-N 1 1 419.573 3.474 50 0 HGAAMO COc1ccc(C[N@H+](C)[C@H]2CCCN(CCc3ccccc3)C2)cc1Cn1cncn1 ZINC000020780933 558412794 /nfs/dbraw/zinc/41/27/94/558412794.db2.gz HECOVNQJWHBSMS-DEOSSOPVSA-N 1 1 419.573 3.474 50 0 HGAAMO COc1ccc(C[N@@H+](C)[C@H]2CCCN(CCc3ccccc3)C2)cc1Cn1cncn1 ZINC000020780933 558412796 /nfs/dbraw/zinc/41/27/96/558412796.db2.gz HECOVNQJWHBSMS-DEOSSOPVSA-N 1 1 419.573 3.474 50 0 HGAAMO CN(C(=O)COc1ncnc2ccccc21)[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012443150 558412999 /nfs/dbraw/zinc/41/29/99/558412999.db2.gz UQFDMQPYMVCOEN-HXUWFJFHSA-N 1 1 416.525 3.099 50 0 HGAAMO O=C(c1ccc(F)cc1)N1CCC[C@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000012458384 558418258 /nfs/dbraw/zinc/41/82/58/558418258.db2.gz GWXSFROMZPPWBU-NRFANRHFSA-N 1 1 409.505 3.022 50 0 HGAAMO COc1ccc(-n2ccnc2CN2CC[N@@H+](CC3CCCCC3)[C@@H](CCO)C2)cc1 ZINC000020905864 558420751 /nfs/dbraw/zinc/42/07/51/558420751.db2.gz BTKUCLKVOZMAQD-QFIPXVFZSA-N 1 1 412.578 3.330 50 0 HGAAMO Cc1ccc(C[N@@H+]2CCc3nnc(CNC(=O)c4cccc(F)c4)n3CC2)cc1C ZINC000020909219 558421672 /nfs/dbraw/zinc/42/16/72/558421672.db2.gz OBZHUORLYMSNTC-UHFFFAOYSA-N 1 1 407.493 3.022 50 0 HGAAMO COc1ccc(-n2ccnc2CN2CC[N@H+](Cc3ccc(F)cc3)[C@@H](CCO)C2)cc1 ZINC000020908610 558421779 /nfs/dbraw/zinc/42/17/79/558421779.db2.gz IFCQAAFXSUSCON-QFIPXVFZSA-N 1 1 424.520 3.089 50 0 HGAAMO COc1ccc(-n2ccnc2CN2CC[N@@H+](Cc3ccc(F)cc3)[C@@H](CCO)C2)cc1 ZINC000020908610 558421781 /nfs/dbraw/zinc/42/17/81/558421781.db2.gz IFCQAAFXSUSCON-QFIPXVFZSA-N 1 1 424.520 3.089 50 0 HGAAMO O=C(CCc1nc(-c2ccccc2)no1)N[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000012582894 558433145 /nfs/dbraw/zinc/43/31/45/558433145.db2.gz COWIOGCWOGYWEJ-OAQYLSRUSA-N 1 1 404.514 3.493 50 0 HGAAMO OC[C@@]1(Cc2cccc(Cl)c2)CCC[N@@H+](Cc2cnc(N3CCOCC3)s2)C1 ZINC000012588896 558435006 /nfs/dbraw/zinc/43/50/06/558435006.db2.gz PMABQWXAZVEHMT-OAQYLSRUSA-N 1 1 421.994 3.450 50 0 HGAAMO CN(C(=O)c1cc2ccccc2oc1=O)[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012590428 558435493 /nfs/dbraw/zinc/43/54/93/558435493.db2.gz MMJDIUPXTZPVAE-HXUWFJFHSA-N 1 1 402.494 3.497 50 0 HGAAMO COc1ccc(NC(=O)N2CCN(c3cc(N4CCCCC4)nc(C)[nH+]3)CC2)cc1 ZINC000021795149 558449324 /nfs/dbraw/zinc/44/93/24/558449324.db2.gz QFTXWSWDQDCTCK-UHFFFAOYSA-N 1 1 410.522 3.138 50 0 HGAAMO CC(C)C[N@H+]1CCNC(=O)[C@@H]1CC(=O)N(C)Cc1ccc(Oc2ccccc2)cc1 ZINC000012711763 558453074 /nfs/dbraw/zinc/45/30/74/558453074.db2.gz JXHZRLPPBUQHCK-QFIPXVFZSA-N 1 1 409.530 3.284 50 0 HGAAMO COc1cc(CNCc2cc(F)cc(F)c2)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000012744498 558457665 /nfs/dbraw/zinc/45/76/65/558457665.db2.gz QUHJFSNWGAZMSY-HXUWFJFHSA-N 1 1 408.489 3.343 50 0 HGAAMO COc1cc(CNCc2cc(F)cc(F)c2)ccc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000012744498 558457667 /nfs/dbraw/zinc/45/76/67/558457667.db2.gz QUHJFSNWGAZMSY-HXUWFJFHSA-N 1 1 408.489 3.343 50 0 HGAAMO C[C@H](C(=O)N1CCN(Cc2ccccc2)CC1)[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000012795576 558468420 /nfs/dbraw/zinc/46/84/20/558468420.db2.gz LRHQWWSYYOQXOP-OAQYLSRUSA-N 1 1 419.569 3.314 50 0 HGAAMO C[C@H]1C[C@H](C)C[NH+](Cc2csc(NC(=O)Cn3c(=O)oc4ccccc43)n2)C1 ZINC000022293220 558476854 /nfs/dbraw/zinc/47/68/54/558476854.db2.gz LURTXBSWKGVKQL-KBPBESRZSA-N 1 1 400.504 3.168 50 0 HGAAMO C[C@@H]1C[C@@H](C)C[NH+](Cc2csc(NC(=O)CCNC(=O)Cc3ccccc3)n2)C1 ZINC000022296905 558476988 /nfs/dbraw/zinc/47/69/88/558476988.db2.gz XULCDMNTADFIOL-IAGOWNOFSA-N 1 1 414.575 3.309 50 0 HGAAMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1cccc(OC[C@@H]2CCCO2)c1 ZINC000012974192 558490380 /nfs/dbraw/zinc/49/03/80/558490380.db2.gz GGDDZZCDLGKMCR-QHCPKHFHSA-N 1 1 410.514 3.007 50 0 HGAAMO O=S(=O)(NCc1ccc(C[NH+]2CCOCC2)cc1)c1cc(Cl)ccc1Cl ZINC000012987387 558495855 /nfs/dbraw/zinc/49/58/55/558495855.db2.gz HQPAGDQFOABZNX-UHFFFAOYSA-N 1 1 415.342 3.304 50 0 HGAAMO O=S(=O)(NCc1ccc(C[NH+]2CCOCC2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000012993427 558497427 /nfs/dbraw/zinc/49/74/27/558497427.db2.gz UAKSLUGLMXDNGL-UHFFFAOYSA-N 1 1 415.342 3.304 50 0 HGAAMO COc1cc(OC)c(OC)cc1C[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000022793493 558512186 /nfs/dbraw/zinc/51/21/86/558512186.db2.gz VFYAILMJFWKXNB-UHFFFAOYSA-N 1 1 410.264 3.493 50 0 HGAAMO C[N@@H+]1CCN(Cc2c(C(=O)N3CCCC3)nc3sccn23)C[C@@H]1c1ccccc1 ZINC000022913987 558520913 /nfs/dbraw/zinc/52/09/13/558520913.db2.gz MOXAGFNGRUGOLL-GOSISDBHSA-N 1 1 409.559 3.121 50 0 HGAAMO C[N@H+]1CCN(Cc2c(C(=O)N3CCCC3)nc3sccn23)C[C@@H]1c1ccccc1 ZINC000022913987 558520916 /nfs/dbraw/zinc/52/09/16/558520916.db2.gz MOXAGFNGRUGOLL-GOSISDBHSA-N 1 1 409.559 3.121 50 0 HGAAMO CC[N@@H+]1CCC[C@H]1CNCc1ccc(Oc2nnnn2-c2ccccc2)c(OC)c1 ZINC000022935456 558526512 /nfs/dbraw/zinc/52/65/12/558526512.db2.gz MEKDXSJIQPXHIP-IBGZPJMESA-N 1 1 408.506 3.037 50 0 HGAAMO CC[N@H+]1CCC[C@H]1CNCc1ccc(Oc2nnnn2-c2ccccc2)c(OC)c1 ZINC000022935456 558526515 /nfs/dbraw/zinc/52/65/15/558526515.db2.gz MEKDXSJIQPXHIP-IBGZPJMESA-N 1 1 408.506 3.037 50 0 HGAAMO CC(C)C[C@H](CNC(=O)c1cnn(Cc2ccccc2Cl)c1)[NH+]1CCOCC1 ZINC000022970629 558528469 /nfs/dbraw/zinc/52/84/69/558528469.db2.gz QHFYSNYEEIWKFE-LJQANCHMSA-N 1 1 404.942 3.062 50 0 HGAAMO CC[N@@H+]1CCc2c(sc(NC(=S)NC(=O)c3ccccc3Cl)c2C(N)=O)C1 ZINC000013595921 558547062 /nfs/dbraw/zinc/54/70/62/558547062.db2.gz KDYNRVLLXVRPSG-UHFFFAOYSA-N 1 1 422.963 3.005 50 0 HGAAMO CC[N@H+]1CCc2c(sc(NC(=S)NC(=O)c3ccccc3Cl)c2C(N)=O)C1 ZINC000013595921 558547064 /nfs/dbraw/zinc/54/70/64/558547064.db2.gz KDYNRVLLXVRPSG-UHFFFAOYSA-N 1 1 422.963 3.005 50 0 HGAAMO Cc1c(O)ccc2c(CN3CC[NH+](Cc4ccc5c(c4)CCO5)CC3)cc(=O)oc12 ZINC000023303339 558548605 /nfs/dbraw/zinc/54/86/05/558548605.db2.gz NAJJENDTPROECB-UHFFFAOYSA-N 1 1 406.482 3.060 50 0 HGAAMO COc1ccccc1N1CCN([C@@H]2CCC[N@@H+](Cc3cccc4nonc43)C2)CC1 ZINC000023373983 558554228 /nfs/dbraw/zinc/55/42/28/558554228.db2.gz RFCKWPUKMGJAKY-LJQANCHMSA-N 1 1 407.518 3.018 50 0 HGAAMO Cc1cc(CNC(=O)C2CC[NH+](C3CCN(CCCc4ccccc4)CC3)CC2)on1 ZINC000023398075 558556746 /nfs/dbraw/zinc/55/67/46/558556746.db2.gz HHZKQEQKYGLZAY-UHFFFAOYSA-N 1 1 424.589 3.408 50 0 HGAAMO COC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)CN1CC[NH+](C)CC1 ZINC000023477209 558559483 /nfs/dbraw/zinc/55/94/83/558559483.db2.gz AYJANFZDSSEPIQ-UHFFFAOYSA-N 1 1 407.923 3.041 50 0 HGAAMO COc1ccc(Br)c(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)c1 ZINC000023736200 558572226 /nfs/dbraw/zinc/57/22/26/558572226.db2.gz JMEQVGXEGPDSRJ-UHFFFAOYSA-N 1 1 411.340 3.223 50 0 HGAAMO COc1ccc(NC(=O)c2ccc(C[NH+]3CCN(c4ncccn4)CC3)cc2)cc1 ZINC000023865918 558578431 /nfs/dbraw/zinc/57/84/31/558578431.db2.gz AIYBGYPWWSWYMI-UHFFFAOYSA-N 1 1 403.486 3.060 50 0 HGAAMO CC(C)[C@H](CNC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1)[NH+]1CCOCC1 ZINC000024770717 558611877 /nfs/dbraw/zinc/61/18/77/558611877.db2.gz CZIBOYHBCUCTHA-IBGZPJMESA-N 1 1 405.539 3.049 50 0 HGAAMO CCOC(=O)c1ccc(OC[C@H](O)C[N@H+](C)Cc2nc3ccccc3s2)cc1 ZINC000025233648 558635341 /nfs/dbraw/zinc/63/53/41/558635341.db2.gz ALNMCKIJKAVDIT-MRXNPFEDSA-N 1 1 400.500 3.345 50 0 HGAAMO CCOC(=O)c1ccc(OC[C@H](O)C[N@@H+](C)Cc2nc3ccccc3s2)cc1 ZINC000025233648 558635345 /nfs/dbraw/zinc/63/53/45/558635345.db2.gz ALNMCKIJKAVDIT-MRXNPFEDSA-N 1 1 400.500 3.345 50 0 HGAAMO Cc1ccc(C(=O)NCCc2nnc3n2CC[N@@H+](C/C=C/c2ccco2)CC3)c(C)c1 ZINC000014878581 558675200 /nfs/dbraw/zinc/67/52/00/558675200.db2.gz XZDYKTUSXIYFQJ-HWKANZROSA-N 1 1 419.529 3.032 50 0 HGAAMO Cc1ccc(C(=O)NCCc2nnc3n2CC[N@H+](C/C=C/c2ccco2)CC3)c(C)c1 ZINC000014878581 558675204 /nfs/dbraw/zinc/67/52/04/558675204.db2.gz XZDYKTUSXIYFQJ-HWKANZROSA-N 1 1 419.529 3.032 50 0 HGAAMO COc1cc(C[N@H+]2CCc3nnc(CCc4ccccc4)n3CC2)cc(OC)c1OC ZINC000014881808 558676257 /nfs/dbraw/zinc/67/62/57/558676257.db2.gz MHELTVGDTQUWGJ-UHFFFAOYSA-N 1 1 422.529 3.147 50 0 HGAAMO COc1cc(C[N@@H+]2CCc3nnc(CCc4ccccc4)n3CC2)cc(OC)c1OC ZINC000014881808 558676261 /nfs/dbraw/zinc/67/62/61/558676261.db2.gz MHELTVGDTQUWGJ-UHFFFAOYSA-N 1 1 422.529 3.147 50 0 HGAAMO CC1CCN(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000027588685 558676931 /nfs/dbraw/zinc/67/69/31/558676931.db2.gz OPEPTVXHPDACPT-UHFFFAOYSA-N 1 1 413.587 3.370 50 0 HGAAMO CCCCN(C)C(=O)c1sc2ncnc(NCCC[NH+]3CCOCC3)c2c1C ZINC000014959088 558683356 /nfs/dbraw/zinc/68/33/56/558683356.db2.gz FVDAVTSMEGZNNG-UHFFFAOYSA-N 1 1 405.568 3.006 50 0 HGAAMO CN(Cc1ccccn1)C(=O)[C@H]1CCC[N@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000015064857 558707824 /nfs/dbraw/zinc/70/78/24/558707824.db2.gz QIJFHFKPQQNKMC-QFIPXVFZSA-N 1 1 406.574 3.417 50 0 HGAAMO COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H]([N@@H+](C)CCc3ccccc3)C2)c1 ZINC000015066316 558708982 /nfs/dbraw/zinc/70/89/82/558708982.db2.gz KZURAADQHPYANY-LJQANCHMSA-N 1 1 418.559 3.031 50 0 HGAAMO Cc1ccc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCN(Cc3ccccc3F)C2)cn1 ZINC000015073245 558714291 /nfs/dbraw/zinc/71/42/91/558714291.db2.gz NVBQNHPPQBNHHE-HXUWFJFHSA-N 1 1 412.553 3.445 50 0 HGAAMO CCCCNC(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2ccc(Br)cc2)CC1 ZINC000029927058 558724089 /nfs/dbraw/zinc/72/40/89/558724089.db2.gz NJOPBDILQCIDAK-AWEZNQCLSA-N 1 1 410.356 3.404 50 0 HGAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1ccc(Cl)cc1N1CCCC1=O ZINC000030019232 558726126 /nfs/dbraw/zinc/72/61/26/558726126.db2.gz XOTDCSDOXSEUES-UHFFFAOYSA-N 1 1 419.953 3.232 50 0 HGAAMO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccc(CN3CCOCC3)cc2)cc1 ZINC000015452777 558740486 /nfs/dbraw/zinc/74/04/86/558740486.db2.gz WGTYKETVDWXNJS-HSZRJFAPSA-N 1 1 409.530 3.303 50 0 HGAAMO COc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2ccc(CN3CCOCC3)cc2)cc1 ZINC000015452777 558740487 /nfs/dbraw/zinc/74/04/87/558740487.db2.gz WGTYKETVDWXNJS-HSZRJFAPSA-N 1 1 409.530 3.303 50 0 HGAAMO C[C@H](C(=O)Nc1ccc(N(C)C)cc1)[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000015507426 558741674 /nfs/dbraw/zinc/74/16/74/558741674.db2.gz SFLASZMHUQKMSX-MRXNPFEDSA-N 1 1 410.518 3.136 50 0 HGAAMO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](CCCOc2ccc3c(c2)OCO3)C1 ZINC000072304912 558756780 /nfs/dbraw/zinc/75/67/80/558756780.db2.gz VZBVBJCYFVLQGD-OAHLLOKOSA-N 1 1 416.440 3.307 50 0 HGAAMO CN(CC[C@@H]1CCCC[N@H+]1C)CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000072305207 558757785 /nfs/dbraw/zinc/75/77/85/558757785.db2.gz YVNSUGAXMHFDBV-INIZCTEOSA-N 1 1 424.471 3.031 50 0 HGAAMO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000034880550 558786647 /nfs/dbraw/zinc/78/66/47/558786647.db2.gz VLLJMMUWEYSLRX-CROMWVBPSA-N 1 1 421.884 3.080 50 0 HGAAMO C[C@H](Cc1cnccn1)NC(=O)C1([N@@H+](C)Cc2ccccc2)Cc2ccccc2C1 ZINC000039354917 558820257 /nfs/dbraw/zinc/82/02/57/558820257.db2.gz LBLNGKJPGWDPBS-LJQANCHMSA-N 1 1 400.526 3.193 50 0 HGAAMO COc1ccc(CN2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)c(C)c1C ZINC000039399344 558820867 /nfs/dbraw/zinc/82/08/67/558820867.db2.gz WPXQQEWVAWNXRX-HSZRJFAPSA-N 1 1 403.611 3.053 50 0 HGAAMO Cc1nnc(C(=O)Nc2ccc(C(=O)NCCC[N@H+](C)Cc3ccccc3)cc2)s1 ZINC000033011030 558830366 /nfs/dbraw/zinc/83/03/66/558830366.db2.gz HJFBOUGKRAQWMC-UHFFFAOYSA-N 1 1 423.542 3.351 50 0 HGAAMO CC[NH+]1CCN(C(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)CC1 ZINC000033013557 558833156 /nfs/dbraw/zinc/83/31/56/558833156.db2.gz MEUPDEKTUNBZFQ-UHFFFAOYSA-N 1 1 421.570 3.499 50 0 HGAAMO CCCc1nnc(C(=O)Nc2cccc(C(=O)NCC[N@H+]3CCCC[C@@H]3C)c2)s1 ZINC000033022778 558838152 /nfs/dbraw/zinc/83/81/52/558838152.db2.gz TVUOHGVCFQOKMF-HNNXBMFYSA-N 1 1 415.563 3.347 50 0 HGAAMO Cc1c(C[N@H+]2CCC[C@@](CO)(Cc3ccccc3F)C2)c(=O)n(-c2ccccc2)n1C ZINC000055036635 558870133 /nfs/dbraw/zinc/87/01/33/558870133.db2.gz HPPARZKBZXTMNP-RUZDIDTESA-N 1 1 423.532 3.441 50 0 HGAAMO CC[NH+]1CCC(C(=O)N2CCC[C@@H](N3CCN(c4cccc(Cl)c4)CC3)C2)CC1 ZINC000055283018 558878390 /nfs/dbraw/zinc/87/83/90/558878390.db2.gz UZXGJXPCGDHGIW-JOCHJYFZSA-N 1 1 419.013 3.185 50 0 HGAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc(-c2nc3ccccc3n(C)c2=O)cc1 ZINC000033171805 558900576 /nfs/dbraw/zinc/90/05/76/558900576.db2.gz BGUPJDGQBLUKJQ-QGZVFWFLSA-N 1 1 404.514 3.205 50 0 HGAAMO CCOc1ccccc1NC(=O)N1CCN(c2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC000072117391 558927268 /nfs/dbraw/zinc/92/72/68/558927268.db2.gz VSQSRUQCFATHPT-UHFFFAOYSA-N 1 1 410.522 3.220 50 0 HGAAMO COc1ccc2c(c1)C=C(CN1CC[N@@H+](CCCc3ccccc3)[C@@H](CCO)C1)CO2 ZINC000019635668 558947533 /nfs/dbraw/zinc/94/75/33/558947533.db2.gz VMVGWGCBOBCOLS-DEOSSOPVSA-N 1 1 422.569 3.472 50 0 HGAAMO C[C@@H]1C[C@@H](C)C[NH+](Cc2csc(NC(=O)CCCNC(=O)c3ccco3)n2)C1 ZINC000022294526 558987367 /nfs/dbraw/zinc/98/73/67/558987367.db2.gz JPOBYTVXPVXZFD-HUUCEWRRSA-N 1 1 404.536 3.363 50 0 HGAAMO Cc1nc(-n2ccnc2)cc(N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)[nH+]1 ZINC000067612221 558988719 /nfs/dbraw/zinc/98/87/19/558988719.db2.gz JCSYXKFBZZCJAH-UHFFFAOYSA-N 1 1 417.300 3.240 50 0 HGAAMO CC(C)CC(=O)[C@@H]1CCCN(C(=O)c2ccc(N3CC[N@@H+](C)C(C)(C)C3)nc2)C1 ZINC000067947761 558994875 /nfs/dbraw/zinc/99/48/75/558994875.db2.gz BHTWQSPJLJEGQZ-LJQANCHMSA-N 1 1 400.567 3.079 50 0 HGAAMO COc1cc2cc(C[N@@H+](C)C[C@H](O)CO)c(-c3cccc(Cl)c3)nc2cc1OC ZINC000077505933 559007675 /nfs/dbraw/zinc/00/76/75/559007675.db2.gz HEDWCHSKLFNNDV-SFHVURJKSA-N 1 1 416.905 3.357 50 0 HGAAMO Cc1cc(C)n(-c2cc(NCCNC(=O)c3ccccc3C(F)(F)F)[nH+]c(C)n2)n1 ZINC000023144382 559020737 /nfs/dbraw/zinc/02/07/37/559020737.db2.gz FBOHPBTUUFNSGY-UHFFFAOYSA-N 1 1 418.423 3.448 50 0 HGAAMO O=C(NCCc1ccccc1)[C@@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000082083323 559036518 /nfs/dbraw/zinc/03/65/18/559036518.db2.gz JZAUWTPJZKTXQH-HSZRJFAPSA-N 1 1 406.574 3.117 50 0 HGAAMO O=C(NCc1cccnc1)[C@@H]1CCC[N@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000082100084 559038103 /nfs/dbraw/zinc/03/81/03/559038103.db2.gz TWJIYHPHJFSBFM-HSZRJFAPSA-N 1 1 406.574 3.117 50 0 HGAAMO O=C(N[C@@H]1CCSC1)C1CC[NH+](C2CCN(CCCc3ccccc3)CC2)CC1 ZINC000082114858 559038990 /nfs/dbraw/zinc/03/89/90/559038990.db2.gz LZJKSGJGYUUBOV-JOCHJYFZSA-N 1 1 415.647 3.417 50 0 HGAAMO CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)[N@H+](C)CCOc1ccccc1C ZINC000011477525 559077978 /nfs/dbraw/zinc/07/79/78/559077978.db2.gz GVHQZKYUCCYTLW-IBGZPJMESA-N 1 1 411.546 3.354 50 0 HGAAMO CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)[N@@H+](C)CCOc1ccccc1C ZINC000011477525 559077979 /nfs/dbraw/zinc/07/79/79/559077979.db2.gz GVHQZKYUCCYTLW-IBGZPJMESA-N 1 1 411.546 3.354 50 0 HGAAMO O=C(c1cnc[nH]1)N(C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000095502298 559082632 /nfs/dbraw/zinc/08/26/32/559082632.db2.gz OHSVOMWBJGWQGX-LJQANCHMSA-N 1 1 400.498 3.082 50 0 HGAAMO O=C1Nc2ccccc2[C@]12[C@H]1C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000247714417 559113486 /nfs/dbraw/zinc/11/34/86/559113486.db2.gz MKPIBSLBSTYPPT-BOCITWAFSA-N 1 1 423.472 3.271 50 0 HGAAMO O=C(C[N@H+]1CC[C@@H]2CCCC[C@H]2C1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000247801591 559119156 /nfs/dbraw/zinc/11/91/56/559119156.db2.gz VZRZWBFGPKVRJF-OALUTQOASA-N 1 1 419.591 3.312 50 0 HGAAMO C[C@@H]1C[C@H](C)C[N@@H+](Cc2csc(NC(=O)Cc3n[nH]c(=O)c4ccccc34)n2)C1 ZINC000014528828 559167480 /nfs/dbraw/zinc/16/74/80/559167480.db2.gz JCWIMQWXUDKMST-OKILXGFUSA-N 1 1 411.531 3.039 50 0 HGAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2csc(NC(=O)Cc3n[nH]c(=O)c4ccccc34)n2)C1 ZINC000014528828 559167482 /nfs/dbraw/zinc/16/74/82/559167482.db2.gz JCWIMQWXUDKMST-OKILXGFUSA-N 1 1 411.531 3.039 50 0 HGAAMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CSc2nnc(C3CC3)n2C2CC2)CC1 ZINC000024013988 559187539 /nfs/dbraw/zinc/18/75/39/559187539.db2.gz DSQMJYHJFBERQC-INIZCTEOSA-N 1 1 411.575 3.488 50 0 HGAAMO Cc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCC[NH+]2CCCCCC2)o1 ZINC000005042738 559236134 /nfs/dbraw/zinc/23/61/34/559236134.db2.gz DJKGLSALYRVPES-UHFFFAOYSA-N 1 1 404.532 3.168 50 0 HGAAMO CCOc1ccc(C(=O)N[C@H](C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)C(C)C)cc1 ZINC000248102159 559263436 /nfs/dbraw/zinc/26/34/36/559263436.db2.gz FEZUYQWDYWVXPC-GOTSBHOMSA-N 1 1 423.557 3.355 50 0 HGAAMO CCOc1ccc(C(=O)N[C@H](C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)C(C)C)cc1 ZINC000248102159 559263437 /nfs/dbraw/zinc/26/34/37/559263437.db2.gz FEZUYQWDYWVXPC-GOTSBHOMSA-N 1 1 423.557 3.355 50 0 HGAAMO C[C@@H](NC(=O)N1CC[NH+](Cc2ccccc2)CC1)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000080336860 560541886 /nfs/dbraw/zinc/54/18/86/560541886.db2.gz ODNGJTGIQWPBRT-QGZVFWFLSA-N 1 1 405.502 3.022 50 0 HGAAMO COc1cccc(N2C(=O)C[C@@H]([NH+]3CCC(c4nc5ccccc5o4)CC3)C2=O)c1 ZINC000101490475 560795941 /nfs/dbraw/zinc/79/59/41/560795941.db2.gz QQEVROAXUJWYGO-LJQANCHMSA-N 1 1 405.454 3.348 50 0 HGAAMO O=C(NCc1ccco1)[C@H]1Cc2ccccc2N2CC[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000104914755 560856651 /nfs/dbraw/zinc/85/66/51/560856651.db2.gz DMJVILRMVFFLMO-LADGPHEKSA-N 1 1 401.510 3.459 50 0 HGAAMO CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NCc1ccnc(-n2cc[nH+]c2C)c1 ZINC000047013587 560879755 /nfs/dbraw/zinc/87/97/55/560879755.db2.gz BUSSWRWRMSUZJG-OAQYLSRUSA-N 1 1 401.470 3.156 50 0 HGAAMO CCOc1ccc(C[N@H+](CCOC)Cc2cc(=O)n3cc(Cl)ccc3n2)cc1 ZINC000045974156 568422812 /nfs/dbraw/zinc/42/28/12/568422812.db2.gz OUGZSGYEZVZKCE-UHFFFAOYSA-N 1 1 401.894 3.395 50 0 HGAAMO CCOc1ccc(C[N@@H+](CCOC)Cc2cc(=O)n3cc(Cl)ccc3n2)cc1 ZINC000045974156 568422813 /nfs/dbraw/zinc/42/28/13/568422813.db2.gz OUGZSGYEZVZKCE-UHFFFAOYSA-N 1 1 401.894 3.395 50 0 HGAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)c3ccc(S(C)(=O)=O)cc3)cc2)C1 ZINC000048310879 568436798 /nfs/dbraw/zinc/43/67/98/568436798.db2.gz DWGDDUAHLDNZPL-HDICACEKSA-N 1 1 414.571 3.498 50 0 HGAAMO CCOC(=O)/C=C/c1ccc(NC(=O)NCC2([NH+]3CCOCC3)CCCCC2)cc1 ZINC000048366717 568441991 /nfs/dbraw/zinc/44/19/91/568441991.db2.gz DQHVPSDOEKQZAE-DHZHZOJOSA-N 1 1 415.534 3.420 50 0 HGAAMO CC[N@H+]1CCc2ncnc(SCC(=O)Nc3ccc(Br)cc3)c2C1 ZINC000049401006 568447590 /nfs/dbraw/zinc/44/75/90/568447590.db2.gz RCQFQFXPIZERHA-UHFFFAOYSA-N 1 1 407.337 3.348 50 0 HGAAMO CCc1c(C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)cnn1-c1ccc(F)cc1 ZINC000024690560 568456853 /nfs/dbraw/zinc/45/68/53/568456853.db2.gz MHWRJUSVSOWJFG-HOTGVXAUSA-N 1 1 402.514 3.191 50 0 HGAAMO FC(F)(F)c1ccc(-c2noc(C[N@@H+]3CCC[C@@H](CN4CCOCC4)C3)n2)cc1 ZINC000006678573 568457326 /nfs/dbraw/zinc/45/73/26/568457326.db2.gz VFQGZIAZHIRPPQ-HNNXBMFYSA-N 1 1 410.440 3.300 50 0 HGAAMO FC(F)(F)c1ccc(-c2noc(C[N@H+]3CCC[C@@H](CN4CCOCC4)C3)n2)cc1 ZINC000006678573 568457328 /nfs/dbraw/zinc/45/73/28/568457328.db2.gz VFQGZIAZHIRPPQ-HNNXBMFYSA-N 1 1 410.440 3.300 50 0 HGAAMO COc1ccccc1CCNC(=O)C[N@H+](C)CCOc1ccc(Br)cc1 ZINC000007727400 568484368 /nfs/dbraw/zinc/48/43/68/568484368.db2.gz UMBAXGQQAWVPQH-UHFFFAOYSA-N 1 1 421.335 3.127 50 0 HGAAMO COc1ccccc1CCNC(=O)C[N@@H+](C)CCOc1ccc(Br)cc1 ZINC000007727400 568484369 /nfs/dbraw/zinc/48/43/69/568484369.db2.gz UMBAXGQQAWVPQH-UHFFFAOYSA-N 1 1 421.335 3.127 50 0 HGAAMO O=C1c2cc(F)ccc2N(CN2CC[NH+](Cc3cccc4ccccc43)CC2)C1=O ZINC000022777045 568499428 /nfs/dbraw/zinc/49/94/28/568499428.db2.gz INXZOYBPYRERME-UHFFFAOYSA-N 1 1 403.457 3.284 50 0 HGAAMO COc1ccc(CC(=O)C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)cc1OC ZINC000020111744 568588731 /nfs/dbraw/zinc/58/87/31/568588731.db2.gz RHSXACKJDFTASK-KRWDZBQOSA-N 1 1 413.470 3.172 50 0 biogenic HGAAMO COc1ccc(CC(=O)C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)cc1OC ZINC000020111744 568588732 /nfs/dbraw/zinc/58/87/32/568588732.db2.gz RHSXACKJDFTASK-KRWDZBQOSA-N 1 1 413.470 3.172 50 0 biogenic HGAAMO CC1CC[NH+]([C@H](CNS(=O)(=O)c2ccc3c(c2)OCCO3)c2cccs2)CC1 ZINC000095350888 568601106 /nfs/dbraw/zinc/60/11/06/568601106.db2.gz NHBKHUUIFKZTBS-QGZVFWFLSA-N 1 1 422.572 3.271 50 0 HGAAMO O=C(CN1CC[NH+](Cn2cnc3ccccc32)CC1)Nc1ccccc1C(F)(F)F ZINC000095356687 568601590 /nfs/dbraw/zinc/60/15/90/568601590.db2.gz GFKYKZUWBDJUJO-UHFFFAOYSA-N 1 1 417.435 3.269 50 0 HGAAMO Cc1cc(C)c2c(C[NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)cc(=O)oc2c1 ZINC000020412483 568605563 /nfs/dbraw/zinc/60/55/63/568605563.db2.gz VYIPKKJRXQUZKZ-UHFFFAOYSA-N 1 1 406.482 3.456 50 0 HGAAMO O=C(CCc1ccccc1Br)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000095444994 568611542 /nfs/dbraw/zinc/61/15/42/568611542.db2.gz NFWBWQJZRLZGPZ-MOPGFXCFSA-N 1 1 417.347 3.133 50 0 HGAAMO COc1cc2c(cc1OC)C(=O)[C@@H]([C@@H]1c3c(cc4c(c3OC)OCO4)CC[N@H+]1C)C2 ZINC000020759388 568642001 /nfs/dbraw/zinc/64/20/01/568642001.db2.gz RJQXXRSHMDJYGT-FOIQADDNSA-N 1 1 411.454 3.025 50 0 biogenic HGAAMO COc1cc2c(cc1OC)C(=O)[C@@H]([C@@H]1c3c(cc4c(c3OC)OCO4)CC[N@@H+]1C)C2 ZINC000020759388 568642003 /nfs/dbraw/zinc/64/20/03/568642003.db2.gz RJQXXRSHMDJYGT-FOIQADDNSA-N 1 1 411.454 3.025 50 0 biogenic HGAAMO CO[C@@H](C[NH+]1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1)c1ccc(Cl)cc1 ZINC000225769750 568672700 /nfs/dbraw/zinc/67/27/00/568672700.db2.gz GICNUFWTFOYAJK-UEXGIBASSA-N 1 1 407.986 3.150 50 0 HGAAMO CCc1ccc(N2C[C@H](c3nc4ccccc4n3CC[NH+]3CCOCC3)CC2=O)cc1 ZINC000021171737 568676434 /nfs/dbraw/zinc/67/64/34/568676434.db2.gz YVAAGBGGRXQPRB-HXUWFJFHSA-N 1 1 418.541 3.451 50 0 HGAAMO CCC[C@@H]1CN(C(=O)[C@@H]2CCn3c(cnc3C3CCCCC3)C2)CC[N@H+]1CCOC ZINC000095993275 568678073 /nfs/dbraw/zinc/67/80/73/568678073.db2.gz VMOHIQYDZLSLFW-NHCUHLMSSA-N 1 1 416.610 3.453 50 0 HGAAMO COc1ccc([C@H]2CCC[N@@H+]2Cc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000021581081 568720038 /nfs/dbraw/zinc/72/00/38/568720038.db2.gz XUNFPXXHAOYLGK-JOCHJYFZSA-N 1 1 416.543 3.053 50 0 HGAAMO COc1ccc([C@H]2CCC[N@H+]2Cc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000021581081 568720040 /nfs/dbraw/zinc/72/00/40/568720040.db2.gz XUNFPXXHAOYLGK-JOCHJYFZSA-N 1 1 416.543 3.053 50 0 HGAAMO O=C(NCC[N@@H+]1CCC[C@H](O)C1)c1ccc2nc(Cc3cccc(Cl)c3)oc2c1 ZINC000012429254 568721925 /nfs/dbraw/zinc/72/19/25/568721925.db2.gz XWSLLGYHWQVGSW-SFHVURJKSA-N 1 1 413.905 3.259 50 0 HGAAMO O=C(Cn1cnc2c(c1=O)CC[N@H+](Cc1ccccc1)C2)Nc1cccc(Cl)c1 ZINC000021658492 568734890 /nfs/dbraw/zinc/73/48/90/568734890.db2.gz VQYNWFLURLNKQU-UHFFFAOYSA-N 1 1 408.889 3.094 50 0 HGAAMO O=C(Cn1cnc2c(c1=O)CC[N@@H+](Cc1ccccc1)C2)Nc1cccc(Cl)c1 ZINC000021658492 568734892 /nfs/dbraw/zinc/73/48/92/568734892.db2.gz VQYNWFLURLNKQU-UHFFFAOYSA-N 1 1 408.889 3.094 50 0 HGAAMO Cc1ccc(-n2c(CC(=O)NCC[N@@H+]3CCCC[C@@H]3C)c3[nH]cccc-3c2=O)cc1 ZINC000096386977 568743776 /nfs/dbraw/zinc/74/37/76/568743776.db2.gz BPYJVMITHDWYSX-RXVVDRJESA-N 1 1 406.530 3.472 50 0 HGAAMO O=C(NC1CC1)C1CC[NH+](CCOc2ccc(Cl)cc2Br)CC1 ZINC000055914616 568784459 /nfs/dbraw/zinc/78/44/59/568784459.db2.gz YYHWMWDPPJMOHP-UHFFFAOYSA-N 1 1 401.732 3.472 50 0 HGAAMO O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000056039130 568785196 /nfs/dbraw/zinc/78/51/96/568785196.db2.gz ZCKNMBZBSPSXPE-HSZRJFAPSA-N 1 1 410.514 3.371 50 0 HGAAMO CC[C@H](c1nnc(SCC(=O)NCC(F)(F)F)n1-c1ccccc1)[NH+](C)C ZINC000002726062 568803919 /nfs/dbraw/zinc/80/39/19/568803919.db2.gz UXNVGCPERNSBJZ-CYBMUJFWSA-N 1 1 401.458 3.051 50 0 HGAAMO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@@H+]2[C@]32C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000230205380 568855007 /nfs/dbraw/zinc/85/50/07/568855007.db2.gz ZUBDDXQNELUVSP-YWNPBTLJSA-N 1 1 421.884 3.080 50 0 HGAAMO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@H+]2[C@]32C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000230205380 568855008 /nfs/dbraw/zinc/85/50/08/568855008.db2.gz ZUBDDXQNELUVSP-YWNPBTLJSA-N 1 1 421.884 3.080 50 0 HGAAMO O=C(CC[C@@H](O)c1ccc2c(c1)CCC(=O)N2)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000230283512 568857640 /nfs/dbraw/zinc/85/76/40/568857640.db2.gz WDJHVOIQPUXOTG-JTHBVZDNSA-N 1 1 421.541 3.166 50 0 HGAAMO CCOC(=O)C1C(C[NH+]2CCC(C)CC2)=NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000058038526 568879333 /nfs/dbraw/zinc/87/93/33/568879333.db2.gz KYMYARLYBUMKHS-OAQYLSRUSA-N 1 1 415.534 3.377 50 0 HGAAMO CCOC(=O)C1=C(C[NH+]2CCC(C)CC2)NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000058038526 568879335 /nfs/dbraw/zinc/87/93/35/568879335.db2.gz KYMYARLYBUMKHS-OAQYLSRUSA-N 1 1 415.534 3.377 50 0 HGAAMO CC[NH+]1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2OC)CC1 ZINC000058148907 568892424 /nfs/dbraw/zinc/89/24/24/568892424.db2.gz YLRJRYDBGUQXOI-UHFFFAOYSA-N 1 1 420.513 3.334 50 0 HGAAMO CCC(C)(C)C1CCC2(CC1)NC(=O)N(C[C@@H](O)C[N@@H+](C)Cc1ccccc1)C2=O ZINC000058167328 568895499 /nfs/dbraw/zinc/89/54/99/568895499.db2.gz BVCLBYHIMDQNRW-VIHQBZHPSA-N 1 1 415.578 3.396 50 0 HGAAMO CCC(CC)[C@H](CNC(=O)c1cc(Br)ccc1F)[NH+]1CCOCC1 ZINC000012748322 568934486 /nfs/dbraw/zinc/93/44/86/568934486.db2.gz UOPGEVGZPGTXCU-KRWDZBQOSA-N 1 1 401.320 3.455 50 0 HGAAMO Cc1cc(C(F)(F)F)n2ncc(C(=O)N[C@H](C)C[N@H+]3CCc4ccccc4C3)c2n1 ZINC000670462007 568953138 /nfs/dbraw/zinc/95/31/38/568953138.db2.gz JKSISPZJZNZION-CQSZACIVSA-N 1 1 417.435 3.233 50 0 HGAAMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000007988586 568966029 /nfs/dbraw/zinc/96/60/29/568966029.db2.gz PSGVWFZBBWVYHK-JOCHJYFZSA-N 1 1 406.530 3.321 50 0 HGAAMO CCOc1ccccc1C[N@@H+]1CCN(Cc2cccn2-c2ccccn2)C[C@H]1CCO ZINC000104454299 569008697 /nfs/dbraw/zinc/00/86/97/569008697.db2.gz XLAYNHDBRJPLJP-JOCHJYFZSA-N 1 1 420.557 3.340 50 0 HGAAMO CCOc1ccccc1C[N@H+]1CCN(Cc2cccn2-c2ccccn2)C[C@H]1CCO ZINC000104454299 569008698 /nfs/dbraw/zinc/00/86/98/569008698.db2.gz XLAYNHDBRJPLJP-JOCHJYFZSA-N 1 1 420.557 3.340 50 0 HGAAMO COc1cc(CN2CC[N@H+](Cc3cccc(SC)c3)C[C@H]2CCO)cc(OC)c1 ZINC000104529018 569009110 /nfs/dbraw/zinc/00/91/10/569009110.db2.gz AHHFUKANQIHYAP-HXUWFJFHSA-N 1 1 416.587 3.495 50 0 HGAAMO COc1cc(CN2CC[N@@H+](Cc3cccc(SC)c3)C[C@H]2CCO)cc(OC)c1 ZINC000104529018 569009111 /nfs/dbraw/zinc/00/91/11/569009111.db2.gz AHHFUKANQIHYAP-HXUWFJFHSA-N 1 1 416.587 3.495 50 0 HGAAMO CCN(CC)C(=O)C[N@H+]1CCCN(c2ncnc3sc4c(c32)CC[C@H](C)C4)CC1 ZINC000012855346 569010970 /nfs/dbraw/zinc/01/09/70/569010970.db2.gz CVRGDJYUQLNTKM-INIZCTEOSA-N 1 1 415.607 3.197 50 0 HGAAMO COc1ccccc1N1CCN(C(=O)C2=CC[N@H+](Cc3ccccc3F)CC2)CC1 ZINC000015861010 569015477 /nfs/dbraw/zinc/01/54/77/569015477.db2.gz LYKAUUUSCCVGJI-UHFFFAOYSA-N 1 1 409.505 3.315 50 0 HGAAMO COc1ccccc1N1CCN(C(=O)C2=CC[N@@H+](Cc3ccccc3F)CC2)CC1 ZINC000015861010 569015478 /nfs/dbraw/zinc/01/54/78/569015478.db2.gz LYKAUUUSCCVGJI-UHFFFAOYSA-N 1 1 409.505 3.315 50 0 HGAAMO CC1(C)Cc2cccc(OCC(=O)N3CCC[N@H+](C4CCSCC4)CC3)c2O1 ZINC000575605299 569032060 /nfs/dbraw/zinc/03/20/60/569032060.db2.gz CWLBOSGHLLVSSN-UHFFFAOYSA-N 1 1 404.576 3.209 50 0 HGAAMO CC(C)c1nc(S(=O)(=O)NC[C@@H](c2csc3ccccc32)[NH+](C)C)cn1C ZINC000575622168 569038964 /nfs/dbraw/zinc/03/89/64/569038964.db2.gz XCUODIUPLNCPDI-INIZCTEOSA-N 1 1 406.577 3.339 50 0 HGAAMO CCc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1 ZINC000013056043 569052815 /nfs/dbraw/zinc/05/28/15/569052815.db2.gz WUVKBQCIVMOZGK-QGZVFWFLSA-N 1 1 417.575 3.267 50 0 HGAAMO Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000239807481 569054515 /nfs/dbraw/zinc/05/45/15/569054515.db2.gz CSHCHLRAVWKDSV-NQIIRXRSSA-N 1 1 402.583 3.124 50 0 HGAAMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@H]2CCCN(c3cnccn3)C2)C1 ZINC000242140859 569054984 /nfs/dbraw/zinc/05/49/84/569054984.db2.gz WPWYFCUHQSGAIX-UGKGYDQZSA-N 1 1 407.562 3.241 50 0 HGAAMO Cc1cccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@@H+]4[C@]4(C(=O)Nc5c4cccc5Cl)[C@H]3C2=O)c1 ZINC000245328136 569056028 /nfs/dbraw/zinc/05/60/28/569056028.db2.gz RZRFQEFWANJFIU-JFNLIGNMSA-N 1 1 421.884 3.080 50 0 HGAAMO Cc1cccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@H+]4[C@]4(C(=O)Nc5c4cccc5Cl)[C@H]3C2=O)c1 ZINC000245328136 569056029 /nfs/dbraw/zinc/05/60/29/569056029.db2.gz RZRFQEFWANJFIU-JFNLIGNMSA-N 1 1 421.884 3.080 50 0 HGAAMO CCn1cnnc1C1CC[NH+](CC(=O)Nc2ccc(Br)cc2C)CC1 ZINC000089310070 569058397 /nfs/dbraw/zinc/05/83/97/569058397.db2.gz QTOKVWAJNXVWEV-UHFFFAOYSA-N 1 1 406.328 3.187 50 0 HGAAMO COCCC[N@H+](Cc1cccc(OC)c1OC)C[C@@H](O)COCc1ccccc1 ZINC000036097166 569090190 /nfs/dbraw/zinc/09/01/90/569090190.db2.gz RSKCGMIADNKZCZ-OAQYLSRUSA-N 1 1 403.519 3.120 50 0 HGAAMO COc1cccc(C[N@@H+]2CC=C(C(=O)N3CCN(c4ccc(F)cc4)CC3)CC2)c1 ZINC000064818004 569101210 /nfs/dbraw/zinc/10/12/10/569101210.db2.gz CMSVVGRPTIRVGF-UHFFFAOYSA-N 1 1 409.505 3.315 50 0 HGAAMO CC(C)CC[N@@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)C[C@@H](O)COC(C)C ZINC000036159171 569102549 /nfs/dbraw/zinc/10/25/49/569102549.db2.gz FJTOHHBIBVKRFX-OAHLLOKOSA-N 1 1 407.580 3.107 50 0 HGAAMO CC(C)CC[N@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)C[C@@H](O)COC(C)C ZINC000036159171 569102551 /nfs/dbraw/zinc/10/25/51/569102551.db2.gz FJTOHHBIBVKRFX-OAHLLOKOSA-N 1 1 407.580 3.107 50 0 HGAAMO O=S(=O)(c1ccc(Cl)cc1)c1ccc(N2CC[NH+](C3CCCCC3)CC2)nn1 ZINC000064942812 569127557 /nfs/dbraw/zinc/12/75/57/569127557.db2.gz LOEHBBIVMVHHDH-UHFFFAOYSA-N 1 1 420.966 3.418 50 0 HGAAMO COc1cc(-c2cc(C)no2)ccc1S(=O)(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000064979442 569140333 /nfs/dbraw/zinc/14/03/33/569140333.db2.gz PQXDYRJMUGUPPZ-UHFFFAOYSA-N 1 1 419.547 3.298 50 0 HGAAMO Cc1ccc(C2=NN(C(=O)CN3CC[NH+](C)CC3)[C@@H](c3ccccc3F)C2)c(C)c1 ZINC000036345494 569143225 /nfs/dbraw/zinc/14/32/25/569143225.db2.gz RKEPVGYWHFFSJV-HSZRJFAPSA-N 1 1 408.521 3.368 50 0 HGAAMO Cc1c(C(=O)NCCC[N@@H+]2CCC[C@H](C)C2)sc2nc3n(c(=O)c12)CCCCC3 ZINC000006840754 569151494 /nfs/dbraw/zinc/15/14/94/569151494.db2.gz QZZCFAOGXKISFY-HNNXBMFYSA-N 1 1 416.591 3.345 50 0 HGAAMO CCCC[N@@H+](CC)CCCNC(=O)c1sc2nc3n(c(=O)c2c1C)CCCC3 ZINC000006841099 569151731 /nfs/dbraw/zinc/15/17/31/569151731.db2.gz ADRHCKNRRDHKJH-UHFFFAOYSA-N 1 1 404.580 3.345 50 0 HGAAMO Cc1csc(-c2cc(S(=O)(=O)N3CC[NH+](C4CCCCC4)CC3)c(C)n2C)n1 ZINC000065008996 569153296 /nfs/dbraw/zinc/15/32/96/569153296.db2.gz GJBJAYXIKYWYAQ-UHFFFAOYSA-N 1 1 422.620 3.404 50 0 HGAAMO COC(=O)c1ccc(-c2ccco2)n1CC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000006871267 569161963 /nfs/dbraw/zinc/16/19/63/569161963.db2.gz HLLIARHNUKVTNT-CALCHBBNSA-N 1 1 401.507 3.019 50 0 HGAAMO COC(=O)c1ccc(-c2ccco2)n1CC(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000006871317 569161974 /nfs/dbraw/zinc/16/19/74/569161974.db2.gz ARVBHFVRNUXASJ-UHFFFAOYSA-N 1 1 421.497 3.099 50 0 HGAAMO Cc1ccc2ncc(C(=O)NCc3ccccc3C[N@@H+]3CCC[C@@H](C)C3)c(=O)n2c1 ZINC000036390704 569165906 /nfs/dbraw/zinc/16/59/06/569165906.db2.gz UTQIJWVVCRVWJV-QGZVFWFLSA-N 1 1 404.514 3.165 50 0 HGAAMO CCc1nc2c(c(=O)n1CC(=O)Nc1ccccc1)C[N@@H+](Cc1ccccc1)CC2 ZINC000065153548 569187512 /nfs/dbraw/zinc/18/75/12/569187512.db2.gz CWAJJAGJAFEDHF-UHFFFAOYSA-N 1 1 402.498 3.003 50 0 HGAAMO CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000065585904 569236434 /nfs/dbraw/zinc/23/64/34/569236434.db2.gz IKPGIWCZSXJBSX-VWNXMTODSA-N 1 1 407.558 3.220 50 0 HGAAMO CC1(C)Oc2ccc(NC(=O)NCc3ccccc3C[N@H+]3CCC[C@@H]3CO)cc2O1 ZINC000170593777 569241298 /nfs/dbraw/zinc/24/12/98/569241298.db2.gz ATBQFAWLARIERC-LJQANCHMSA-N 1 1 411.502 3.472 50 0 HGAAMO CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000089791046 569266267 /nfs/dbraw/zinc/26/62/67/569266267.db2.gz IXXGBLUGLVDKAX-VXKWHMMOSA-N 1 1 411.521 3.361 50 0 HGAAMO Cc1cccc(C(=O)N2CCC[N@@H+](C[C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c1 ZINC000170639685 569281358 /nfs/dbraw/zinc/28/13/58/569281358.db2.gz UGUZSXWUBGIULH-IBGZPJMESA-N 1 1 401.551 3.400 50 0 HGAAMO C[C@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)[N@H+]1CCC[C@H]1c1ccsc1 ZINC000252467351 569287105 /nfs/dbraw/zinc/28/71/05/569287105.db2.gz FLAOMGQMEJREFG-GCJKJVERSA-N 1 1 413.587 3.422 50 0 HGAAMO CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000002253855 569326119 /nfs/dbraw/zinc/32/61/19/569326119.db2.gz GOKQVHHBOIENNV-ZIAGYGMSSA-N 1 1 417.506 3.421 50 0 HGAAMO COc1ccc([C@H](O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)cc1OC ZINC000012660092 569402585 /nfs/dbraw/zinc/40/25/85/569402585.db2.gz RZTRQDYTALSTEQ-HZPDHXFCSA-N 1 1 401.459 3.094 50 0 biogenic HGAAMO CCc1cccc2c(=O)c(C[NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)c(C)[nH]c12 ZINC000019793694 569430128 /nfs/dbraw/zinc/43/01/28/569430128.db2.gz SIEHQASIAVRPQS-UHFFFAOYSA-N 1 1 419.525 3.445 50 0 HGAAMO C[N@@H+]1CCN(C(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)[C@@H](c2ccccc2)C1 ZINC000039983367 571136191 /nfs/dbraw/zinc/13/61/91/571136191.db2.gz WGCJKTBILXGTKH-MRXNPFEDSA-N 1 1 413.827 3.036 50 0 HGAAMO C[N@H+]1CCN(C(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)[C@@H](c2ccccc2)C1 ZINC000039983367 571136192 /nfs/dbraw/zinc/13/61/92/571136192.db2.gz WGCJKTBILXGTKH-MRXNPFEDSA-N 1 1 413.827 3.036 50 0 HGAAMO CCN1CC[NH+](Cc2ccccc2CNC(=O)COc2ccccc2Cl)CC1 ZINC000040089829 571159630 /nfs/dbraw/zinc/15/96/30/571159630.db2.gz OSRLYJXRKDYPMJ-UHFFFAOYSA-N 1 1 401.938 3.173 50 0 HGAAMO CC(C)[C@H](CNC(=O)c1cc(Br)ccc1Cl)N1CC[NH+](C)CC1 ZINC000040092503 571161468 /nfs/dbraw/zinc/16/14/68/571161468.db2.gz ZOYHVESNGDHZNA-INIZCTEOSA-N 1 1 402.764 3.104 50 0 HGAAMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2ccc(CS(C)(=O)=O)cc2)C1 ZINC000040107111 571167688 /nfs/dbraw/zinc/16/76/88/571167688.db2.gz FSZYCOMHSFIOPK-GOSISDBHSA-N 1 1 414.571 3.393 50 0 HGAAMO Cc1ccn2c(c1)ncc(C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)c2=O ZINC000040112322 571170451 /nfs/dbraw/zinc/17/04/51/571170451.db2.gz MFVQRYMWNOGQJY-SFHVURJKSA-N 1 1 404.514 3.165 50 0 HGAAMO CCC(CC)NC(=O)c1nnn(-c2cccc3c2CC[N@@H+](Cc2ccncc2)C3)c1C ZINC000069966783 571251543 /nfs/dbraw/zinc/25/15/43/571251543.db2.gz VODLRVIUGUXHAI-UHFFFAOYSA-N 1 1 418.545 3.447 50 0 HGAAMO Cc1c(C(=O)N[C@@H](C)C(C)C)nnn1-c1cccc2c1CC[N@H+](Cc1cccnc1)C2 ZINC000069974034 571252345 /nfs/dbraw/zinc/25/23/45/571252345.db2.gz DBOZEHYVMKIJBX-KRWDZBQOSA-N 1 1 418.545 3.303 50 0 HGAAMO Cc1c(C(=O)N[C@@H](C)C(C)C)nnn1-c1cccc2c1CC[N@@H+](Cc1cccnc1)C2 ZINC000069974034 571252346 /nfs/dbraw/zinc/25/23/46/571252346.db2.gz DBOZEHYVMKIJBX-KRWDZBQOSA-N 1 1 418.545 3.303 50 0 HGAAMO COc1ccc(N2C(=O)C[C@H]([N@H+](C)Cc3ccc(SC)cc3)C2=O)c(OC)c1 ZINC000010169789 571295809 /nfs/dbraw/zinc/29/58/09/571295809.db2.gz YPODSXCCZXIPMW-SFHVURJKSA-N 1 1 400.500 3.190 50 0 HGAAMO COc1ccc(N2C(=O)C[C@H]([N@@H+](C)Cc3ccc(SC)cc3)C2=O)c(OC)c1 ZINC000010169789 571295811 /nfs/dbraw/zinc/29/58/11/571295811.db2.gz YPODSXCCZXIPMW-SFHVURJKSA-N 1 1 400.500 3.190 50 0 HGAAMO COc1ccc(N2C(=O)C[C@H]([N@H+](C)Cc3ccc(SC)cc3)C2=O)cc1OC ZINC000010169803 571295849 /nfs/dbraw/zinc/29/58/49/571295849.db2.gz GXFKLGFCWYYOIG-KRWDZBQOSA-N 1 1 400.500 3.190 50 0 HGAAMO COc1ccc(N2C(=O)C[C@H]([N@@H+](C)Cc3ccc(SC)cc3)C2=O)cc1OC ZINC000010169803 571295851 /nfs/dbraw/zinc/29/58/51/571295851.db2.gz GXFKLGFCWYYOIG-KRWDZBQOSA-N 1 1 400.500 3.190 50 0 HGAAMO C[N@H+](CC(=O)Nc1ccc(N2CCCC2)cc1)Cc1ccccc1N1CCOCC1 ZINC000008132898 132327718 /nfs/dbraw/zinc/32/77/18/132327718.db2.gz OHMOMDMPMHQPEU-UHFFFAOYSA-N 1 1 408.546 3.194 50 0 HGAAMO C[N@@H+](CC(=O)Nc1ccc(N2CCCC2)cc1)Cc1ccccc1N1CCOCC1 ZINC000008132898 132327719 /nfs/dbraw/zinc/32/77/19/132327719.db2.gz OHMOMDMPMHQPEU-UHFFFAOYSA-N 1 1 408.546 3.194 50 0 HGAAMO Cc1ccc2c(c1)N(C(=O)CCC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C[C@@H](C)O2 ZINC000009287013 132338229 /nfs/dbraw/zinc/33/82/29/132338229.db2.gz CJWXNQKTDINBEM-HSALFYBXSA-N 1 1 415.578 3.373 50 0 HGAAMO CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000032399034 519820008 /nfs/dbraw/zinc/82/00/08/519820008.db2.gz LQSSUHLMADYJJS-QFIPXVFZSA-N 1 1 411.521 3.145 50 0 HGAAMO C[N@@H+](CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H]1CCc2ccccc21 ZINC000029482837 522509295 /nfs/dbraw/zinc/50/92/95/522509295.db2.gz MDOBJFGXXDEHGR-NRFANRHFSA-N 1 1 413.543 3.029 50 0 HGAAMO C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)N3CCCCc4ccccc43)cc2)CC1 ZINC000020597969 523876564 /nfs/dbraw/zinc/87/65/64/523876564.db2.gz UJELAIOBYZKJNH-UHFFFAOYSA-N 1 1 406.530 3.378 50 0 HGAAMO COc1ccc(CCNC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)cc1OC ZINC000032824552 523969184 /nfs/dbraw/zinc/96/91/84/523969184.db2.gz IZEKTTQUGGOHAA-QZTJIDSGSA-N 1 1 412.530 3.286 50 0 HGAAMO COc1ccc(C[N@H+]2CCN(Cc3cc(C(C)C)n[nH]3)C[C@@H]2CCO)c(C)c1C ZINC000020539371 524033388 /nfs/dbraw/zinc/03/33/88/524033388.db2.gz JEETWZPEWNJZQD-NRFANRHFSA-N 1 1 400.567 3.227 50 0 HGAAMO C[C@@H]1C[NH+](Cc2ccc(C(=O)OCC(=O)Nc3ccc(Cl)cn3)cc2)C[C@@H](C)O1 ZINC000032936232 524990586 /nfs/dbraw/zinc/99/05/86/524990586.db2.gz CEBSLPIUNPNDQP-HUUCEWRRSA-N 1 1 417.893 3.140 50 0 HGAAMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc2)C[C@@H](C)O1 ZINC000032824516 524991163 /nfs/dbraw/zinc/99/11/63/524991163.db2.gz PAZYSRJQVVYRPR-RTBURBONSA-N 1 1 411.521 3.397 50 0 HGAAMO CSc1cccc(N2C[C@H](C(=O)NCCC[N@H+]3CCc4ccccc4C3)CC2=O)c1 ZINC000032400608 526107698 /nfs/dbraw/zinc/10/76/98/526107698.db2.gz XASKRNFEZXDLOV-HXUWFJFHSA-N 1 1 423.582 3.326 50 0 HGAAMO CCC[C@H](C)[NH+]1CCN(S(=O)(=O)c2cc(-c3onc(C)c3C)ccc2OC)CC1 ZINC000063634575 557748048 /nfs/dbraw/zinc/74/80/48/557748048.db2.gz KSDPRSYZXFOCNM-HNNXBMFYSA-N 1 1 421.563 3.462 50 0 HGAAMO Cc1ccc(C[N@@H+]2CCc3nnc([C@H](CC(C)C)NC(=O)c4cccnc4)n3CC2)o1 ZINC000019742115 558262449 /nfs/dbraw/zinc/26/24/49/558262449.db2.gz DYBWFGSGQTVQHS-FQEVSTJZSA-N 1 1 422.533 3.150 50 0 HGAAMO COc1cc(OC)c([C@@H]2C[C@H]3CN(C4CCCC4)C(=O)[C@]34CCC[N@@H+]24)cc1OC ZINC000011712272 558271456 /nfs/dbraw/zinc/27/14/56/558271456.db2.gz XFUOXTZEDKGEMW-WIRVKHDMSA-N 1 1 400.519 3.393 50 0 HGAAMO CN(C[C@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1)C(=O)CN1CCCCC1=O ZINC000011764975 558273850 /nfs/dbraw/zinc/27/38/50/558273850.db2.gz ZWDZVCYKAZTVNC-LJQANCHMSA-N 1 1 405.970 3.065 50 0 HGAAMO COc1ccc(CN2CC[N@@H+](Cc3ccc(-n4cccn4)cc3)C[C@@H]2CCO)c(F)c1 ZINC000019770176 558279270 /nfs/dbraw/zinc/27/92/70/558279270.db2.gz SEJLZCMKPILOPA-QFIPXVFZSA-N 1 1 424.520 3.089 50 0 HGAAMO CCOc1ccccc1C[N@@H+]1CCN(Cc2cccn2-c2ccccn2)C[C@@H]1CCO ZINC000019772215 558280328 /nfs/dbraw/zinc/28/03/28/558280328.db2.gz XLAYNHDBRJPLJP-QFIPXVFZSA-N 1 1 420.557 3.340 50 0 HGAAMO CCOc1ccccc1C[N@H+]1CCN(Cc2cccn2-c2ccccn2)C[C@@H]1CCO ZINC000019772215 558280331 /nfs/dbraw/zinc/28/03/31/558280331.db2.gz XLAYNHDBRJPLJP-QFIPXVFZSA-N 1 1 420.557 3.340 50 0 HGAAMO Cc1c[nH]c(CN(C)Cc2cccc(OC[C@H](O)C[N@@H+](C)C3CCCCC3)c2)n1 ZINC000011819994 558283467 /nfs/dbraw/zinc/28/34/67/558283467.db2.gz UALNFFONHGBELV-OAQYLSRUSA-N 1 1 400.567 3.354 50 0 HGAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cnn(-c2nccc(-c3ccco3)n2)c1C(C)C ZINC000012021371 558309491 /nfs/dbraw/zinc/30/94/91/558309491.db2.gz JMKIPCJLHUDXNZ-INIZCTEOSA-N 1 1 408.506 3.260 50 0 HGAAMO COCCN1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)CCC1=O ZINC000012029597 558310902 /nfs/dbraw/zinc/31/09/02/558310902.db2.gz VZXJNOYWIBGQFW-UHFFFAOYSA-N 1 1 404.514 3.220 50 0 HGAAMO COCCN1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)CCC1=O ZINC000012029597 558310905 /nfs/dbraw/zinc/31/09/05/558310905.db2.gz VZXJNOYWIBGQFW-UHFFFAOYSA-N 1 1 404.514 3.220 50 0 HGAAMO O=C1CC[N@H+](Cc2cccn2-c2ccccn2)CCN1CCOc1ccc(F)cc1 ZINC000012078107 558320448 /nfs/dbraw/zinc/32/04/48/558320448.db2.gz FMOWQOLLSZUYPH-UHFFFAOYSA-N 1 1 408.477 3.125 50 0 HGAAMO OCC[C@@H]1CN(Cc2c[nH]nc2-c2ccc(F)cc2)CC[N@@H+]1Cc1ccsc1 ZINC000020109957 558335257 /nfs/dbraw/zinc/33/52/57/558335257.db2.gz KTIPLAXMQNQAEB-HXUWFJFHSA-N 1 1 400.523 3.346 50 0 HGAAMO OCC[C@@H]1CN(Cc2c[nH]nc2-c2ccc(F)cc2)CC[N@H+]1Cc1ccsc1 ZINC000020109957 558335259 /nfs/dbraw/zinc/33/52/59/558335259.db2.gz KTIPLAXMQNQAEB-HXUWFJFHSA-N 1 1 400.523 3.346 50 0 HGAAMO Cc1nn(C)c(Cl)c1CN1CCC[C@H]([NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000020322765 558355360 /nfs/dbraw/zinc/35/53/60/558355360.db2.gz NTTQUKNFSBJQNG-KRWDZBQOSA-N 1 1 405.949 3.308 50 0 HGAAMO O[C@H](CSc1ccccc1)C[NH+]1CCN(c2nc(-c3ccccc3)ns2)CC1 ZINC000020421478 558361858 /nfs/dbraw/zinc/36/18/58/558361858.db2.gz NWVASIXZJPIPAF-SFHVURJKSA-N 1 1 412.584 3.480 50 0 HGAAMO COc1cccc(-c2nc3ccc(C(=O)NCC[N@H+]4CCCC[C@H]4CO)cc3o2)c1 ZINC000012313939 558377550 /nfs/dbraw/zinc/37/75/50/558377550.db2.gz UWEQHSIJOBKSDC-SFHVURJKSA-N 1 1 409.486 3.080 50 0 HGAAMO COc1cc(CN2CCSCC2)ccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012387413 558396085 /nfs/dbraw/zinc/39/60/85/558396085.db2.gz ZFHZYSRKLULEGP-HXUWFJFHSA-N 1 1 408.608 3.248 50 0 HGAAMO COc1ccc(-c2cc(C(=O)NCCC[NH+]3CCOCC3)c3ccccc3n2)cc1 ZINC000020679435 558400405 /nfs/dbraw/zinc/40/04/05/558400405.db2.gz XOUHGHZVBLXUTQ-UHFFFAOYSA-N 1 1 405.498 3.363 50 0 HGAAMO C[N@@H+](CCc1ccccc1)C1(C(=O)N2CCc3n[nH]cc3C2)Cc2ccccc2C1 ZINC000012439301 558410887 /nfs/dbraw/zinc/41/08/87/558410887.db2.gz UKWYTJCPDCYZFZ-UHFFFAOYSA-N 1 1 400.526 3.007 50 0 HGAAMO COc1cc(CC(=O)N[C@@H]2CCC[N@@H+](CC3CCCCC3)C2)cc(OC)c1OC ZINC000012454945 558416939 /nfs/dbraw/zinc/41/69/39/558416939.db2.gz ASGOUDXWGYJTBR-LJQANCHMSA-N 1 1 404.551 3.416 50 0 HGAAMO O=C(CC[NH+]1CCN(CC(=O)Nc2ccc(F)cc2)CC1)Nc1ccccc1Cl ZINC000022931256 558419391 /nfs/dbraw/zinc/41/93/91/558419391.db2.gz UVFMXSLESSEGTI-UHFFFAOYSA-N 1 1 418.900 3.064 50 0 HGAAMO COc1ccc(CN2CC[N@H+](Cc3ccc(F)cc3)[C@@H](CCO)C2)c(OC)c1C ZINC000020878213 558419656 /nfs/dbraw/zinc/41/96/56/558419656.db2.gz JCSZWLGYXRHVHH-NRFANRHFSA-N 1 1 402.510 3.220 50 0 HGAAMO COc1ccc(CN2CC[N@@H+](Cc3ccc(F)cc3)[C@@H](CCO)C2)c(OC)c1C ZINC000020878213 558419658 /nfs/dbraw/zinc/41/96/58/558419658.db2.gz JCSZWLGYXRHVHH-NRFANRHFSA-N 1 1 402.510 3.220 50 0 HGAAMO COc1ccc(C[N@@H+]2CCN(Cc3ccc(F)cc3)[C@@H](CCO)C2)c(OC)c1C ZINC000020878213 558419661 /nfs/dbraw/zinc/41/96/61/558419661.db2.gz JCSZWLGYXRHVHH-NRFANRHFSA-N 1 1 402.510 3.220 50 0 HGAAMO COc1ccc(C[N@H+]2CCN(Cc3ccc(F)cc3)[C@@H](CCO)C2)c(OC)c1C ZINC000020878213 558419664 /nfs/dbraw/zinc/41/96/64/558419664.db2.gz JCSZWLGYXRHVHH-NRFANRHFSA-N 1 1 402.510 3.220 50 0 HGAAMO Cn1cc(C(=O)N2CCC[C@H]([N@@H+](C)CCc3ccccc3)C2)c(=O)c2ccccc21 ZINC000012574191 558430365 /nfs/dbraw/zinc/43/03/65/558430365.db2.gz UMMQVTFIOPLQTA-FQEVSTJZSA-N 1 1 403.526 3.318 50 0 HGAAMO O=C(NC[C@H]1CCCO1)C1CC[NH+](C2CCN(CCCc3ccccc3)CC2)CC1 ZINC000012587745 558434639 /nfs/dbraw/zinc/43/46/39/558434639.db2.gz PENNIXJORYPNNF-XMMPIXPASA-N 1 1 413.606 3.091 50 0 HGAAMO CCN(CCn1cccn1)Cc1ccccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000012761606 558461185 /nfs/dbraw/zinc/46/11/85/558461185.db2.gz SYLOHLFJUOEJLK-HSZRJFAPSA-N 1 1 414.594 3.409 50 0 HGAAMO CCN(CCn1cccn1)Cc1ccccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012761606 558461186 /nfs/dbraw/zinc/46/11/86/558461186.db2.gz SYLOHLFJUOEJLK-HSZRJFAPSA-N 1 1 414.594 3.409 50 0 HGAAMO Cc1ccccc1CN(C)C(=O)C[NH+]1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000012792348 558466486 /nfs/dbraw/zinc/46/64/86/558466486.db2.gz VKIHNNSKLOYLND-UHFFFAOYSA-N 1 1 422.525 3.320 50 0 HGAAMO C[C@@H]1C[C@@H](C)C[NH+](Cc2csc(NC(=O)Cn3c(=O)oc4ccccc43)n2)C1 ZINC000022293215 558476868 /nfs/dbraw/zinc/47/68/68/558476868.db2.gz LURTXBSWKGVKQL-ZIAGYGMSSA-N 1 1 400.504 3.168 50 0 HGAAMO C[C@@H]1C[C@@H](C)C[NH+](Cc2csc(NC(=O)c3ccc4c(c3)OCC(=O)N4)n2)C1 ZINC000022296694 558477053 /nfs/dbraw/zinc/47/70/53/558477053.db2.gz BGSVFLARCJCLSQ-CHWSQXEVSA-N 1 1 400.504 3.204 50 0 HGAAMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc3ccccc3cc2NC(=O)C2CC2)C1 ZINC000022693992 558504744 /nfs/dbraw/zinc/50/47/44/558504744.db2.gz AQMJXHSSHATNFY-HXUWFJFHSA-N 1 1 409.530 3.275 50 0 HGAAMO CCOc1ccc(C[NH+]2CCN(Cc3nc4cc(Cl)ccc4c(=O)[nH]3)CC2)cc1 ZINC000022931897 558524740 /nfs/dbraw/zinc/52/47/40/558524740.db2.gz AQJZRWTWAREBQG-UHFFFAOYSA-N 1 1 412.921 3.293 50 0 HGAAMO O=C(CSc1nnc(CCC2CCCC2)[nH]1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000023080919 558533902 /nfs/dbraw/zinc/53/39/02/558533902.db2.gz BJTJTHUFKMANSM-LJQANCHMSA-N 1 1 413.591 3.410 50 0 HGAAMO O=C(CSc1n[nH]c(CCC2CCCC2)n1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000023080919 558533905 /nfs/dbraw/zinc/53/39/05/558533905.db2.gz BJTJTHUFKMANSM-LJQANCHMSA-N 1 1 413.591 3.410 50 0 HGAAMO O=C(CSc1n[nH]c(CCC2CCCC2)n1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000023080919 558533910 /nfs/dbraw/zinc/53/39/10/558533910.db2.gz BJTJTHUFKMANSM-LJQANCHMSA-N 1 1 413.591 3.410 50 0 HGAAMO O=C(CCc1ncc(-c2ccccc2)o1)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000023172161 558540058 /nfs/dbraw/zinc/54/00/58/558540058.db2.gz JEEFDOAERPSJFK-UHFFFAOYSA-N 1 1 404.514 3.213 50 0 HGAAMO Cn1c(Cc2cccs2)nn(CN2CC[NH+](Cc3ccsc3)CC2)c1=S ZINC000023250126 558545992 /nfs/dbraw/zinc/54/59/92/558545992.db2.gz UJSPWOPQNYMJNR-UHFFFAOYSA-N 1 1 405.618 3.440 50 0 HGAAMO Cc1c2ccc(O)cc2oc(=O)c1CCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000013623683 558550383 /nfs/dbraw/zinc/55/03/83/558550383.db2.gz GFZSUDIIPKFJOF-UHFFFAOYSA-N 1 1 406.482 3.084 50 0 HGAAMO Cc1ccccc1N1CCN([C@@H]2CCC[N@@H+](Cc3cccc(OCCO)c3)C2)CC1 ZINC000023374776 558554546 /nfs/dbraw/zinc/55/45/46/558554546.db2.gz YIQOXRWEUIZLFK-HSZRJFAPSA-N 1 1 409.574 3.153 50 0 HGAAMO Cc1ccccc1N1CC[NH+]([C@@H]2CCCN(Cc3cccc(OCCO)c3)C2)CC1 ZINC000023374776 558554548 /nfs/dbraw/zinc/55/45/48/558554548.db2.gz YIQOXRWEUIZLFK-HSZRJFAPSA-N 1 1 409.574 3.153 50 0 HGAAMO CCOc1ccc2nc(NC(=O)CN3CC[NH+](Cc4ccccc4)CC3)sc2c1 ZINC000023477210 558559535 /nfs/dbraw/zinc/55/95/35/558559535.db2.gz MCSUTPAEHVDXRB-UHFFFAOYSA-N 1 1 410.543 3.451 50 0 HGAAMO COc1ccc(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1Br ZINC000024207883 558592134 /nfs/dbraw/zinc/59/21/34/558592134.db2.gz LOSPSPZQQQGOGM-UHFFFAOYSA-N 1 1 419.319 3.220 50 0 HGAAMO Cc1cc(=O)c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)nn1-c1ccc(Cl)cc1 ZINC000024974624 558623589 /nfs/dbraw/zinc/62/35/89/558623589.db2.gz KMLBGWLQIIRVPB-IBGZPJMESA-N 1 1 422.916 3.199 50 0 HGAAMO Cc1cc(=O)c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1-c1ccc(Cl)cc1 ZINC000024974624 558623591 /nfs/dbraw/zinc/62/35/91/558623591.db2.gz KMLBGWLQIIRVPB-IBGZPJMESA-N 1 1 422.916 3.199 50 0 HGAAMO CN(C)C(=O)[C@@H](c1ccccc1)[NH+]1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000024984090 558624568 /nfs/dbraw/zinc/62/45/68/558624568.db2.gz YBTVWJXGKAEXLR-JOCHJYFZSA-N 1 1 408.498 3.182 50 0 HGAAMO CCOC(=O)c1ccc(OC[C@@H](O)C[N@H+](C)Cc2nc3ccccc3s2)cc1 ZINC000025233644 558635272 /nfs/dbraw/zinc/63/52/72/558635272.db2.gz ALNMCKIJKAVDIT-INIZCTEOSA-N 1 1 400.500 3.345 50 0 HGAAMO CCOC(=O)c1ccc(OC[C@@H](O)C[N@@H+](C)Cc2nc3ccccc3s2)cc1 ZINC000025233644 558635275 /nfs/dbraw/zinc/63/52/75/558635275.db2.gz ALNMCKIJKAVDIT-INIZCTEOSA-N 1 1 400.500 3.345 50 0 HGAAMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CSc2nnc(NC3CC3)s2)CC1 ZINC000025317087 558637756 /nfs/dbraw/zinc/63/77/56/558637756.db2.gz STVAAJYMJSNVQK-AWEZNQCLSA-N 1 1 403.577 3.110 50 0 HGAAMO O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000025460448 558641473 /nfs/dbraw/zinc/64/14/73/558641473.db2.gz QMWQWLAYDATQJR-UHFFFAOYSA-N 1 1 406.313 3.068 50 0 HGAAMO CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000014251609 558650020 /nfs/dbraw/zinc/65/00/20/558650020.db2.gz GLSHLLXTYQLMAN-HXUWFJFHSA-N 1 1 412.490 3.153 50 0 HGAAMO CC(C)Cn1nc(C(=O)NCc2cccnc2)c2c1CC[N@H+](Cc1ccc(O)cc1)C2 ZINC000014746132 558669188 /nfs/dbraw/zinc/66/91/88/558669188.db2.gz KJAPYMZAMDANHN-UHFFFAOYSA-N 1 1 419.529 3.128 50 0 HGAAMO CC(C)Cn1nc(C(=O)NCc2cccnc2)c2c1CC[N@@H+](Cc1ccc(O)cc1)C2 ZINC000014746132 558669191 /nfs/dbraw/zinc/66/91/91/558669191.db2.gz KJAPYMZAMDANHN-UHFFFAOYSA-N 1 1 419.529 3.128 50 0 HGAAMO CCOC(=O)C1(Cc2cccc(C(F)(F)F)c2)CC[NH+](Cc2cnc(N)nc2)CC1 ZINC000014953182 558681544 /nfs/dbraw/zinc/68/15/44/558681544.db2.gz YASZXUBOTTVCEJ-UHFFFAOYSA-N 1 1 422.451 3.466 50 0 HGAAMO CC[N@@H+](C[C@H]1CCCN(CCc2cccc(OC)c2)C1)C1CCN(C(C)=O)CC1 ZINC000014955744 558682480 /nfs/dbraw/zinc/68/24/80/558682480.db2.gz VFDSLGOGCBSIRD-QFIPXVFZSA-N 1 1 401.595 3.283 50 0 HGAAMO Cc1noc(C)c1CSc1ncccc1C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000028017721 558689667 /nfs/dbraw/zinc/68/96/67/558689667.db2.gz BZHRNDRKCPONGV-KRWDZBQOSA-N 1 1 418.563 3.065 50 0 HGAAMO CC(C)CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2ccc(N3CCNC3=O)cc2)C1 ZINC000015006611 558699359 /nfs/dbraw/zinc/69/93/59/558699359.db2.gz HMWNRHGDJXBCBN-IFMALSPDSA-N 1 1 412.578 3.118 50 0 HGAAMO COc1ccc2c(C)c(CCC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@@H]34)c(=O)oc2c1 ZINC000028349599 558699580 /nfs/dbraw/zinc/69/95/80/558699580.db2.gz DIBZKXKHRBMLOY-UWJYYQICSA-N 1 1 412.530 3.423 50 0 HGAAMO O=C(Nc1ccnn1C1CC[NH+](Cc2c(F)cccc2Cl)CC1)[C@H]1CCOC1 ZINC000015062100 558705022 /nfs/dbraw/zinc/70/50/22/558705022.db2.gz HPXMUQJSAYWFOI-AWEZNQCLSA-N 1 1 406.889 3.488 50 0 HGAAMO CCOC(=O)c1cnn(-c2ccc(NC(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)cc2)c1C ZINC000072282587 558713635 /nfs/dbraw/zinc/71/36/35/558713635.db2.gz JXBGZMMNONHKPX-WOJBJXKFSA-N 1 1 411.506 3.106 50 0 HGAAMO CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CCN(Cc2ccc(OC)cc2F)CC1 ZINC000015072567 558713750 /nfs/dbraw/zinc/71/37/50/558713750.db2.gz QRYFDILJEQEAEU-FQEVSTJZSA-N 1 1 405.558 3.427 50 0 HGAAMO CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CCN(Cc2ccc(OC)cc2F)CC1 ZINC000015072567 558713751 /nfs/dbraw/zinc/71/37/51/558713751.db2.gz QRYFDILJEQEAEU-FQEVSTJZSA-N 1 1 405.558 3.427 50 0 HGAAMO COC(=O)c1ccccc1N(C)C(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000029597765 558717659 /nfs/dbraw/zinc/71/76/59/558717659.db2.gz CZBYGWGJJIWQTM-SFHVURJKSA-N 1 1 410.470 3.044 50 0 HGAAMO COC(=O)c1ccccc1N(C)C(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000029597765 558717660 /nfs/dbraw/zinc/71/76/60/558717660.db2.gz CZBYGWGJJIWQTM-SFHVURJKSA-N 1 1 410.470 3.044 50 0 HGAAMO O=c1cc(CN2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)nc2sccn21 ZINC000015143766 558725521 /nfs/dbraw/zinc/72/55/21/558725521.db2.gz PHKYCKOYBWQSOC-UHFFFAOYSA-N 1 1 411.918 3.280 50 0 HGAAMO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc(CN3CCOCC3)cc2)cc1 ZINC000015452776 558740505 /nfs/dbraw/zinc/74/05/05/558740505.db2.gz WGTYKETVDWXNJS-QHCPKHFHSA-N 1 1 409.530 3.303 50 0 HGAAMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc(CN3CCOCC3)cc2)cc1 ZINC000015452776 558740507 /nfs/dbraw/zinc/74/05/07/558740507.db2.gz WGTYKETVDWXNJS-QHCPKHFHSA-N 1 1 409.530 3.303 50 0 HGAAMO O=C(Nc1ccccc1)C1CC[NH+]([C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)CC1 ZINC000015470121 558740767 /nfs/dbraw/zinc/74/07/67/558740767.db2.gz FXEWUPVNCIMYDZ-IBGZPJMESA-N 1 1 411.889 3.323 50 0 HGAAMO COc1ccc(-c2noc(C[N@@H+]3CCC[C@H](C(=O)NC4CCCC4)C3)n2)cc1OC ZINC000015726135 558750802 /nfs/dbraw/zinc/75/08/02/558750802.db2.gz REUPICHBWIAFOL-INIZCTEOSA-N 1 1 414.506 3.025 50 0 HGAAMO COc1ccc(-c2noc(C[N@H+]3CCC[C@H](C(=O)NC4CCCC4)C3)n2)cc1OC ZINC000015726135 558750805 /nfs/dbraw/zinc/75/08/05/558750805.db2.gz REUPICHBWIAFOL-INIZCTEOSA-N 1 1 414.506 3.025 50 0 HGAAMO CCS[C@H]1CC[C@@H]([N@@H+](C)CC(=O)NCc2ccccc2CN2CCCC2=O)C1 ZINC000072304994 558757062 /nfs/dbraw/zinc/75/70/62/558757062.db2.gz HHPIENICULYOPB-UXHICEINSA-N 1 1 403.592 3.031 50 0 HGAAMO Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)Nc3cc(F)cc(F)c3)CC2)[nH+]1 ZINC000033326842 558766885 /nfs/dbraw/zinc/76/68/85/558766885.db2.gz PKNJAOPMLRLXNK-UHFFFAOYSA-N 1 1 416.476 3.408 50 0 HGAAMO C[NH+]1CCN(CC(=O)Nc2sc3c(c2C(=O)Nc2ccccc2)CCCC3)CC1 ZINC000020481640 558778190 /nfs/dbraw/zinc/77/81/90/558778190.db2.gz XVRCENLNEKOPCO-UHFFFAOYSA-N 1 1 412.559 3.065 50 0 HGAAMO COC(=O)c1ccc(N2C(=O)C[C@H]([NH2+]Cc3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000022147102 558779194 /nfs/dbraw/zinc/77/91/94/558779194.db2.gz LNCMRLQUJVTALQ-INIZCTEOSA-N 1 1 407.253 3.202 50 0 HGAAMO CC[NH+]1CCN(C(=O)c2cnn3c2N[C@H](c2ccccc2)C[C@@H]3C(F)(F)F)CC1 ZINC000035805458 558795285 /nfs/dbraw/zinc/79/52/85/558795285.db2.gz UUIMAYFLCRSSSC-DLBZAZTESA-N 1 1 407.440 3.321 50 0 HGAAMO Cc1cc(C)nc(CNC(=O)C2([N@@H+](C)Cc3ccccc3)Cc3ccccc3C2)n1 ZINC000039551840 558822465 /nfs/dbraw/zinc/82/24/65/558822465.db2.gz ZRKMWFVCYGQAKI-UHFFFAOYSA-N 1 1 400.526 3.379 50 0 HGAAMO CCc1nnc(C(=O)Nc2ccc(C(=O)NCCC[N@H+]3CCCC[C@@H]3C)cc2)s1 ZINC000033011431 558830816 /nfs/dbraw/zinc/83/08/16/558830816.db2.gz COVMAPPMBNIEJE-HNNXBMFYSA-N 1 1 415.563 3.347 50 0 HGAAMO COc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(c4nc5ccccc5o4)CC3)C2=O)cc1 ZINC000004593402 558831349 /nfs/dbraw/zinc/83/13/49/558831349.db2.gz ZZGGXIUGBOZYOM-LJQANCHMSA-N 1 1 405.454 3.348 50 0 HGAAMO COc1ccccc1C(=O)[C@@H]1CCC[N@@H+](Cc2cn(CC(N)=O)c3ccccc23)C1 ZINC000019148509 558847038 /nfs/dbraw/zinc/84/70/38/558847038.db2.gz FWVJNODULSMMHV-QGZVFWFLSA-N 1 1 405.498 3.230 50 0 HGAAMO COc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3ccc(N4CCNC4=O)cc3)C2)cc1OC ZINC000019223702 558852308 /nfs/dbraw/zinc/85/23/08/558852308.db2.gz YVCBCJJHVFADSM-IBGZPJMESA-N 1 1 423.513 3.328 50 0 HGAAMO Cc1cccc(C[N@@H+]2CCc3nnc([C@H](CC(C)C)NC(=O)c4ccco4)n3CC2)n1 ZINC000019300265 558866364 /nfs/dbraw/zinc/86/63/64/558866364.db2.gz QRNPODXUUVTTFS-IBGZPJMESA-N 1 1 422.533 3.150 50 0 HGAAMO C[C@@H](CNC(=O)NC[C@H]1CCN(c2ccc(F)cc2)C1)[N@H+]1CCc2ccccc2C1 ZINC000058415924 558925274 /nfs/dbraw/zinc/92/52/74/558925274.db2.gz JBJMMQAHGMGAEP-RBUKOAKNSA-N 1 1 410.537 3.398 50 0 HGAAMO COc1ccccc1[C@@H]1[NH+]=C(NCc2ccc(Cl)cc2)Nc2nc(C)cc(=O)n21 ZINC000014607530 558930593 /nfs/dbraw/zinc/93/05/93/558930593.db2.gz BXYYXJHPMNVIAG-LJQANCHMSA-N 1 1 409.877 3.332 50 0 HGAAMO Cc1nc(C)c(C(=O)N2CCC[C@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2)s1 ZINC000059299996 558933577 /nfs/dbraw/zinc/93/35/77/558933577.db2.gz ATJATNGHXCICLI-IBGZPJMESA-N 1 1 402.539 3.326 50 0 HGAAMO NC(=O)C1(N2CCCCC2)CC[NH+](Cc2c[nH]nc2-c2cc3ccccc3o2)CC1 ZINC000067770236 558992708 /nfs/dbraw/zinc/99/27/08/558992708.db2.gz BJKCZXJBBZUSEG-UHFFFAOYSA-N 1 1 407.518 3.129 50 0 HGAAMO C[N@@H+](CCCN1CC2(CCN(C(=O)c3ccc[nH]3)CC2)OC1=O)C1CCCCC1 ZINC000077339693 559001799 /nfs/dbraw/zinc/00/17/99/559001799.db2.gz BPVWGPBJXCEKNR-UHFFFAOYSA-N 1 1 402.539 3.096 50 0 HGAAMO Cc1cc(CNC(=O)[C@H]2CCC[N@H+](C3CCN(CCc4ccccc4)CC3)C2)on1 ZINC000082092669 559037081 /nfs/dbraw/zinc/03/70/81/559037081.db2.gz YLGQQFPJSOXTNR-NRFANRHFSA-N 1 1 410.562 3.018 50 0 HGAAMO O=C(NCc1ccccn1)[C@H]1CCC[N@H+](C2CCN(Cc3ccc(F)cc3)CC2)C1 ZINC000082097354 559037607 /nfs/dbraw/zinc/03/76/07/559037607.db2.gz MXIBXDQPBGXUDF-FQEVSTJZSA-N 1 1 410.537 3.214 50 0 HGAAMO O=C(NCc1ccccn1)[C@H]1CCC[N@H+](C2CCN(Cc3cccc(F)c3)CC2)C1 ZINC000082107378 559038455 /nfs/dbraw/zinc/03/84/55/559038455.db2.gz BQKIZIWWPUWSOU-FQEVSTJZSA-N 1 1 410.537 3.214 50 0 HGAAMO O=C(NCc1ccccn1)[C@H]1CCC[N@H+](C2CCN(c3ncccc3Cl)CC2)C1 ZINC000082120723 559039339 /nfs/dbraw/zinc/03/93/39/559039339.db2.gz SLOKDVHTWBVQOC-KRWDZBQOSA-N 1 1 413.953 3.127 50 0 HGAAMO O=C(NCc1ccccn1)[C@H]1CCC[N@H+](C2CCN(Cc3ccccc3F)CC2)C1 ZINC000082121523 559039495 /nfs/dbraw/zinc/03/94/95/559039495.db2.gz BBUGBQSVGGNUFV-FQEVSTJZSA-N 1 1 410.537 3.214 50 0 HGAAMO O=C(NCCc1ccco1)[C@H]1CCC[N@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000082138853 559040672 /nfs/dbraw/zinc/04/06/72/559040672.db2.gz MYKVZVAKUWSHTC-QFIPXVFZSA-N 1 1 409.574 3.357 50 0 HGAAMO O=C(Nc1ccc(F)cc1F)N1CCN(c2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC000082230607 559042843 /nfs/dbraw/zinc/04/28/43/559042843.db2.gz CPCJKECZXKNHCO-UHFFFAOYSA-N 1 1 402.449 3.099 50 0 HGAAMO Cc1nc2cc(OCc3nc(C(=O)N4CC[NH+](C(C)C)CC4)co3)ccc2s1 ZINC000091893304 559074338 /nfs/dbraw/zinc/07/43/38/559074338.db2.gz VAWCHUIKUZHXQC-UHFFFAOYSA-N 1 1 400.504 3.338 50 0 HGAAMO O=C(c1ccn[nH]1)N(C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000095519459 559084847 /nfs/dbraw/zinc/08/48/47/559084847.db2.gz ZOQNVKDNYBFIPM-LJQANCHMSA-N 1 1 400.498 3.082 50 0 HGAAMO O=C(NCc1ccccc1)c1cccc(OC2CC[NH+](Cc3cncnc3)CC2)c1 ZINC000095528932 559086514 /nfs/dbraw/zinc/08/65/14/559086514.db2.gz FIPPTPDZTYAWSO-UHFFFAOYSA-N 1 1 402.498 3.450 50 0 HGAAMO CCc1ncc(CN(CCOC)C[C@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)cn1 ZINC000095530116 559086751 /nfs/dbraw/zinc/08/67/51/559086751.db2.gz PGRJYRMWPHMSDM-HXUWFJFHSA-N 1 1 408.590 3.367 50 0 HGAAMO COc1cc(C[N@@H+]2CCN(Cc3ccc(F)c(F)c3)C[C@@H]2CCO)cc(OC)c1 ZINC000096806821 559112403 /nfs/dbraw/zinc/11/24/03/559112403.db2.gz BCJXDLDZHGSHCL-SFHVURJKSA-N 1 1 406.473 3.051 50 0 HGAAMO COc1cc(C[N@H+]2CCN(Cc3ccc(F)c(F)c3)C[C@@H]2CCO)cc(OC)c1 ZINC000096806821 559112404 /nfs/dbraw/zinc/11/24/04/559112404.db2.gz BCJXDLDZHGSHCL-SFHVURJKSA-N 1 1 406.473 3.051 50 0 HGAAMO CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)CC[N@H+]1CCC[C@@H](C)C1 ZINC000005055130 559237562 /nfs/dbraw/zinc/23/75/62/559237562.db2.gz JRQSZHXFPGPARL-CQSZACIVSA-N 1 1 417.506 3.422 50 0 HGAAMO CCc1ccc(-c2nc(C[N@H+]3CCC[C@@H](C(=O)NCC(OC)OC)C3)c(C)o2)cc1 ZINC000005055996 559237672 /nfs/dbraw/zinc/23/76/72/559237672.db2.gz PYOZYTFYSXGOHJ-LJQANCHMSA-N 1 1 415.534 3.160 50 0 HGAAMO COCCN(C[C@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)c1[nH]nc2c1COc1ccccc1-2 ZINC000409414045 559249801 /nfs/dbraw/zinc/24/98/01/559249801.db2.gz MXKDTEPHUHMETM-YLJYHZDGSA-N 1 1 424.545 3.322 50 0 HGAAMO COCCN(C[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1n[nH]c2c1COc1ccccc1-2 ZINC000409414045 559249803 /nfs/dbraw/zinc/24/98/03/559249803.db2.gz MXKDTEPHUHMETM-YLJYHZDGSA-N 1 1 424.545 3.322 50 0 HGAAMO COCCN(C[C@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)c1n[nH]c2c1COc1ccccc1-2 ZINC000409414045 559249805 /nfs/dbraw/zinc/24/98/05/559249805.db2.gz MXKDTEPHUHMETM-YLJYHZDGSA-N 1 1 424.545 3.322 50 0 HGAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)c1cc(-c2ccsc2)n[nH]1 ZINC000409413122 559250385 /nfs/dbraw/zinc/25/03/85/559250385.db2.gz DBXANTGRDZMASA-JXFKEZNVSA-N 1 1 402.564 3.491 50 0 HGAAMO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)c1cc(-c2ccsc2)[nH]n1 ZINC000409413122 559250386 /nfs/dbraw/zinc/25/03/86/559250386.db2.gz DBXANTGRDZMASA-JXFKEZNVSA-N 1 1 402.564 3.491 50 0 HGAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)c1cc(-c2ccsc2)[nH]n1 ZINC000409413122 559250387 /nfs/dbraw/zinc/25/03/87/559250387.db2.gz DBXANTGRDZMASA-JXFKEZNVSA-N 1 1 402.564 3.491 50 0 HGAAMO CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2cccn2-c2cccnc2)CC1 ZINC000011821047 559260558 /nfs/dbraw/zinc/26/05/58/559260558.db2.gz DBVRIODBEAILPM-QFIPXVFZSA-N 1 1 423.605 3.465 50 0 HGAAMO C[C@@H]1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](C[NH+]4CCN(C(=O)c5ccco5)CC4)[C@@H]3C=C12 ZINC000248335194 559271322 /nfs/dbraw/zinc/27/13/22/559271322.db2.gz MQSZZIBOTGMDJA-HPMKRPECSA-N 1 1 412.530 3.352 50 0 HGAAMO C[NH+]1CCN(c2ccc(-c3ccc(NC(=O)c4ccc(F)c(F)c4)cc3)nn2)CC1 ZINC000005259417 560551095 /nfs/dbraw/zinc/55/10/95/560551095.db2.gz RJHCHJSQPCXJNI-UHFFFAOYSA-N 1 1 409.440 3.426 50 0 HGAAMO CCc1ccccc1NC(=O)Cn1c(=O)c2c(nc1-c1ccccc1)CC[N@H+](CC)C2 ZINC000062007126 560566293 /nfs/dbraw/zinc/56/62/93/560566293.db2.gz VJBJYPXEHQYZJZ-UHFFFAOYSA-N 1 1 416.525 3.489 50 0 HGAAMO COc1cc2c(cc1OC)-c1n[nH]c(C(=O)N(C)C[C@@H]3CCC[N@H+]4CCCC[C@@H]34)c1C2 ZINC000409415209 560723530 /nfs/dbraw/zinc/72/35/30/560723530.db2.gz WYONCSJRVNDSTA-KXBFYZLASA-N 1 1 424.545 3.335 50 0 HGAAMO COc1cc2c(cc1OC)-c1[nH]nc(C(=O)N(C)C[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)c1C2 ZINC000409415209 560723532 /nfs/dbraw/zinc/72/35/32/560723532.db2.gz WYONCSJRVNDSTA-KXBFYZLASA-N 1 1 424.545 3.335 50 0 HGAAMO COc1cc2c(cc1OC)-c1[nH]nc(C(=O)N(C)C[C@@H]3CCC[N@H+]4CCCC[C@@H]34)c1C2 ZINC000409415209 560723533 /nfs/dbraw/zinc/72/35/33/560723533.db2.gz WYONCSJRVNDSTA-KXBFYZLASA-N 1 1 424.545 3.335 50 0 HGAAMO CC[C@@H]1CCCC[N@H+]1Cc1cc(=O)n2nc(NCc3ccc(Cl)cc3)[nH]c2n1 ZINC000101795867 560801350 /nfs/dbraw/zinc/80/13/50/560801350.db2.gz DZJNVTZDDAFDKE-QGZVFWFLSA-N 1 1 400.914 3.448 50 0 HGAAMO COc1ccc(CCNC(=O)C[N@H+](C)CCOc2ccc(Cl)cc2)cc1OC ZINC000006509165 560876365 /nfs/dbraw/zinc/87/63/65/560876365.db2.gz SDPYMNOHYXXARX-UHFFFAOYSA-N 1 1 406.910 3.027 50 0 HGAAMO COc1ccc(CCNC(=O)C[N@@H+](C)CCOc2ccc(Cl)cc2)cc1OC ZINC000006509165 560876366 /nfs/dbraw/zinc/87/63/66/560876366.db2.gz SDPYMNOHYXXARX-UHFFFAOYSA-N 1 1 406.910 3.027 50 0 HGAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)c2ccc(NC(=O)c3ccco3)s2)ccn1 ZINC000047014454 560879780 /nfs/dbraw/zinc/87/97/80/560879780.db2.gz KAAUBHFEGWLWHD-UHFFFAOYSA-N 1 1 407.455 3.413 50 0 HGAAMO CC(C)CN(C[C@@H]1C[N@H+](C[C@@H](O)Cc2ccccc2)CCO1)C(=O)c1ccccc1 ZINC000106680488 560892998 /nfs/dbraw/zinc/89/29/98/560892998.db2.gz GXWZEKSJKUWJKV-ZEQRLZLVSA-N 1 1 410.558 3.089 50 0 HGAAMO CC(C)CN(C[C@@H]1C[N@@H+](C[C@@H](O)Cc2ccccc2)CCO1)C(=O)c1ccccc1 ZINC000106680488 560892999 /nfs/dbraw/zinc/89/29/99/560892999.db2.gz GXWZEKSJKUWJKV-ZEQRLZLVSA-N 1 1 410.558 3.089 50 0 HGAAMO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(-n2cncn2)cc1C(F)(F)F)c1ccco1 ZINC000047673502 568430783 /nfs/dbraw/zinc/43/07/83/568430783.db2.gz PIRVOWUKQPCKGT-HNNXBMFYSA-N 1 1 408.384 3.304 50 0 HGAAMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)Nc1cccnc1N1CCCC1 ZINC000048299687 568437218 /nfs/dbraw/zinc/43/72/18/568437218.db2.gz UGYMEHRJWSUAPD-UHFFFAOYSA-N 1 1 422.577 3.011 50 0 HGAAMO CCN1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3Cc4cc(Cl)ccc4O3)cc2)CC1 ZINC000048332088 568440048 /nfs/dbraw/zinc/44/00/48/568440048.db2.gz HSMPASCZKJJMEE-QFIPXVFZSA-N 1 1 413.949 3.097 50 0 HGAAMO COc1ccc2c(C)c(CCC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)c(=O)oc2c1 ZINC000012297064 568463003 /nfs/dbraw/zinc/46/30/03/568463003.db2.gz DIBZKXKHRBMLOY-LAUBAEHRSA-N 1 1 412.530 3.423 50 0 biogenic HGAAMO CNC(=O)c1ccc(NC(=O)CN2CC[NH+](Cc3csc4ccccc34)CC2)cc1 ZINC000022933710 568500854 /nfs/dbraw/zinc/50/08/54/568500854.db2.gz AKPQUAWGCFNOMA-UHFFFAOYSA-N 1 1 422.554 3.017 50 0 HGAAMO C=CC(=O)NCc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccc(OC)cc2)cc1 ZINC000261489597 568512981 /nfs/dbraw/zinc/51/29/81/568512981.db2.gz YPZMULKUINXMRG-URXFXBBRSA-N 1 1 421.541 3.310 50 0 HGAAMO CN1CC[NH+](CCCNC(=O)c2ccc3c(c2)N(Cc2ccccc2)CCS3)CC1 ZINC000020355091 568599591 /nfs/dbraw/zinc/59/95/91/568599591.db2.gz PGZXJQIYYBDFMR-UHFFFAOYSA-N 1 1 424.614 3.166 50 0 HGAAMO CC[NH+]1CCN(C(=O)CCc2c(C)nc3c(c(C)nn3-c3ccccc3)c2C)CC1 ZINC000020436435 568607191 /nfs/dbraw/zinc/60/71/91/568607191.db2.gz ITTIBHOTHKUAPK-UHFFFAOYSA-N 1 1 405.546 3.442 50 0 HGAAMO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000095428337 568608262 /nfs/dbraw/zinc/60/82/62/568608262.db2.gz XGOSXZDPRLMINA-CQSZACIVSA-N 1 1 409.889 3.409 50 0 HGAAMO COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000225500122 568643743 /nfs/dbraw/zinc/64/37/43/568643743.db2.gz IMRPHRBFTKBQKT-IEBWSBKVSA-N 1 1 419.953 3.086 50 0 HGAAMO C[N@@H+](CCNC(=O)c1ccc2nc(N3CCOCC3)sc2c1)C1CCCCC1 ZINC000020865571 568646525 /nfs/dbraw/zinc/64/65/25/568646525.db2.gz ZQXHGXAHZVEQBY-UHFFFAOYSA-N 1 1 402.564 3.127 50 0 HGAAMO COCC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2ncc(-c3ccccc3C)o2)C1 ZINC000096000129 568680942 /nfs/dbraw/zinc/68/09/42/568680942.db2.gz IVYGFYSDJZVCNP-MRXNPFEDSA-N 1 1 409.490 3.338 50 0 HGAAMO COCC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3C)o2)C1 ZINC000096000129 568680943 /nfs/dbraw/zinc/68/09/43/568680943.db2.gz IVYGFYSDJZVCNP-MRXNPFEDSA-N 1 1 409.490 3.338 50 0 HGAAMO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(Br)cc2Br)C[C@H](C)O1 ZINC000012420337 568720330 /nfs/dbraw/zinc/72/03/30/568720330.db2.gz ZNGPEHWUSWLOND-LOWVWBTDSA-N 1 1 423.145 3.061 50 0 HGAAMO C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(Br)cc2Br)C[C@H](C)O1 ZINC000012420337 568720333 /nfs/dbraw/zinc/72/03/33/568720333.db2.gz ZNGPEHWUSWLOND-LOWVWBTDSA-N 1 1 423.145 3.061 50 0 HGAAMO CN1CC[NH+](CCCNC(=O)c2cc3occc3c(Nc3ccc(F)cc3)n2)CC1 ZINC000096323678 568732623 /nfs/dbraw/zinc/73/26/23/568732623.db2.gz RKWCCHPNOIMCCH-UHFFFAOYSA-N 1 1 411.481 3.078 50 0 HGAAMO O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1c2c([nH+]c3c1CCCC3)CCC2 ZINC000000975130 568759531 /nfs/dbraw/zinc/75/95/31/568759531.db2.gz ZYCCACGPOSOHIC-UHFFFAOYSA-N 1 1 403.482 3.464 50 0 HGAAMO CC[NH+]1CCN(C(=S)SCC(=O)Nc2ccccc2OC(F)(F)F)CC1 ZINC000215752918 568798709 /nfs/dbraw/zinc/79/87/09/568798709.db2.gz WJMQAAAKOWUJCN-UHFFFAOYSA-N 1 1 407.483 3.179 50 0 HGAAMO Cc1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@@H+]1[C@]21C(=O)Nc2c1cccc2Cl ZINC000230071575 568831332 /nfs/dbraw/zinc/83/13/32/568831332.db2.gz RXVQTQOBVYFGOD-FXKZBUDASA-N 1 1 421.884 3.080 50 0 HGAAMO Cc1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@H+]1[C@]21C(=O)Nc2c1cccc2Cl ZINC000230071575 568831334 /nfs/dbraw/zinc/83/13/34/568831334.db2.gz RXVQTQOBVYFGOD-FXKZBUDASA-N 1 1 421.884 3.080 50 0 HGAAMO COc1cccc([C@@H]2NC(=[NH2+])Nc3nc4cc5c(cc4n32)OCCCO5)c1OC(C)C ZINC000012506960 568839438 /nfs/dbraw/zinc/83/94/38/568839438.db2.gz BNNLJPKLIRFKSY-HXUWFJFHSA-N 1 1 423.473 3.090 50 0 HGAAMO Cc1cccc(C2N=NC(=S)N2CCC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000012552190 568853641 /nfs/dbraw/zinc/85/36/41/568853641.db2.gz IFIWICDSUFFTDH-FQEVSTJZSA-N 1 1 421.570 3.323 50 0 HGAAMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1cnn(-c2nccc(-c3ccco3)n2)c1C1CC1 ZINC000299798426 568876530 /nfs/dbraw/zinc/87/65/30/568876530.db2.gz UEOMTZHYUVKQGN-MRXNPFEDSA-N 1 1 420.517 3.214 50 0 HGAAMO COc1cc(C[NH2+]C[C@H](CN(C)C)[C@H](O)c2ccccc2)cc(OC)c1OC(F)F ZINC000058050987 568881042 /nfs/dbraw/zinc/88/10/42/568881042.db2.gz NFTJQPXUGMNBKM-YLJYHZDGSA-N 1 1 424.488 3.306 50 0 HGAAMO COCCNc1nc(NCc2ccc(OC)cc2)[nH+]c(NCc2ccc(OC)cc2)n1 ZINC000083911695 568924699 /nfs/dbraw/zinc/92/46/99/568924699.db2.gz JXYDEDSUWCOODU-UHFFFAOYSA-N 1 1 424.505 3.171 50 0 HGAAMO Cc1cccc(N2CC[NH+](CCNC(=O)c3cc(Br)ccc3F)CC2)c1 ZINC000031544316 568927625 /nfs/dbraw/zinc/92/76/25/568927625.db2.gz AFOOQANOPHSVDH-UHFFFAOYSA-N 1 1 420.326 3.449 50 0 HGAAMO CC1CC[NH+](CCCn2c(=O)c3cc(N4CCOCC4)ccc3[nH]c2=S)CC1 ZINC000004004716 568933063 /nfs/dbraw/zinc/93/30/63/568933063.db2.gz CNKUXSXKBIFRCY-UHFFFAOYSA-N 1 1 402.564 3.018 50 0 HGAAMO CC[C@@H](NC(=O)c1ccc2c(c1)nc(C)n2C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000084727089 568957227 /nfs/dbraw/zinc/95/72/27/568957227.db2.gz KVDNYOUQVVIMOU-OFNKIYASSA-N 1 1 406.530 3.291 50 0 HGAAMO CC[C@@H](NC(=O)c1ccc2c(c1)nc(C)n2C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000084727089 568957228 /nfs/dbraw/zinc/95/72/28/568957228.db2.gz KVDNYOUQVVIMOU-OFNKIYASSA-N 1 1 406.530 3.291 50 0 HGAAMO O=C(C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)Nc1ccc(N2CCCC2=O)cc1 ZINC000008004460 568967924 /nfs/dbraw/zinc/96/79/24/568967924.db2.gz XHWUJDOXHBJTEU-UHFFFAOYSA-N 1 1 420.513 3.103 50 0 HGAAMO Cc1cc2cc(C(=O)N[C@H]3C4CN5CC3(c3ccccc3)C[N@@H+](C4)CC5)ccc2o1 ZINC000670466922 568972951 /nfs/dbraw/zinc/97/29/51/568972951.db2.gz BSZDWPFGKHEEID-KOXWRSSLSA-N 1 1 401.510 3.039 50 0 HGAAMO O=C(C[N@H+]1CCC[C@H]2CCCC[C@@H]21)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000008156371 568978089 /nfs/dbraw/zinc/97/80/89/568978089.db2.gz ZQZFAMGYCSJFQO-XLIONFOSSA-N 1 1 405.564 3.064 50 0 HGAAMO Cn1nc(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)c2ccccc2c1=O ZINC000008168850 568979781 /nfs/dbraw/zinc/97/97/81/568979781.db2.gz CVAHEJDCVFHAKB-LJQANCHMSA-N 1 1 410.905 3.154 50 0 HGAAMO Cc1ccsc1C[N@@H+](C)[C@H](C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C ZINC000008262701 568985711 /nfs/dbraw/zinc/98/57/11/568985711.db2.gz WDRLVFCAOWYVOB-OAHLLOKOSA-N 1 1 409.577 3.074 50 0 HGAAMO Cc1ccsc1C[N@H+](C)[C@H](C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C ZINC000008262701 568985713 /nfs/dbraw/zinc/98/57/13/568985713.db2.gz WDRLVFCAOWYVOB-OAHLLOKOSA-N 1 1 409.577 3.074 50 0 HGAAMO COc1ccc2c(c1)O[C@H](C)C[N@H+](CCC(=O)N[C@H](c1cccnc1)C(F)(F)F)C2 ZINC000011790203 568986686 /nfs/dbraw/zinc/98/66/86/568986686.db2.gz SWSFBZLAUUIQPF-JLTOFOAXSA-N 1 1 423.435 3.483 50 0 HGAAMO CC(C)N(C(=O)[C@@H](C)[NH+]1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1)C(C)C ZINC000012855978 569011041 /nfs/dbraw/zinc/01/10/41/569011041.db2.gz MRASICOROVLSON-QGZVFWFLSA-N 1 1 402.535 3.386 50 0 HGAAMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)C1 ZINC000053303613 569016440 /nfs/dbraw/zinc/01/64/40/569016440.db2.gz OBAXFBAGZNPTAE-KDURUIRLSA-N 1 1 412.578 3.276 50 0 HGAAMO Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000239807482 569054563 /nfs/dbraw/zinc/05/45/63/569054563.db2.gz CSHCHLRAVWKDSV-RXVVDRJESA-N 1 1 402.583 3.124 50 0 HGAAMO O=C(CN1CCC[C@@H]1C[N@@H+]1CCC[C@H]1CO)Nc1ccc(Cl)cc1C(F)(F)F ZINC000242242319 569055019 /nfs/dbraw/zinc/05/50/19/569055019.db2.gz XTVBQGINVZTBSJ-CABCVRRESA-N 1 1 419.875 3.218 50 0 HGAAMO O=C(C[N@H+]1CC[C@H]2CCCC[C@@H]2C1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000006551948 569065227 /nfs/dbraw/zinc/06/52/27/569065227.db2.gz VZRZWBFGPKVRJF-RTBURBONSA-N 1 1 419.591 3.312 50 0 HGAAMO Cc1nc(SCc2ccc(C(=O)NC(C)C)cc2)nc(N2CC[NH+](C)CC2)c1C ZINC000036062950 569085547 /nfs/dbraw/zinc/08/55/47/569085547.db2.gz HEKWKXDIFCYDLI-UHFFFAOYSA-N 1 1 413.591 3.276 50 0 HGAAMO COc1cccc(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@H](O)COC(C)C)c1OC ZINC000036103725 569092282 /nfs/dbraw/zinc/09/22/82/569092282.db2.gz XSSHZKLQPVPXMY-IBGZPJMESA-N 1 1 417.502 3.221 50 0 HGAAMO COc1cccc(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@H](O)COC(C)C)c1OC ZINC000036103725 569092284 /nfs/dbraw/zinc/09/22/84/569092284.db2.gz XSSHZKLQPVPXMY-IBGZPJMESA-N 1 1 417.502 3.221 50 0 HGAAMO CCOC[C@@H](O)C[N@H+](CCC(C)C)Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000036158730 569102457 /nfs/dbraw/zinc/10/24/57/569102457.db2.gz QPRCUYMNMAXWJM-HNNXBMFYSA-N 1 1 407.580 3.109 50 0 HGAAMO CCOC[C@@H](O)C[N@@H+](CCC(C)C)Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000036158730 569102458 /nfs/dbraw/zinc/10/24/58/569102458.db2.gz QPRCUYMNMAXWJM-HNNXBMFYSA-N 1 1 407.580 3.109 50 0 HGAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)Cn1c(=O)c2cccn2c2ccc(F)cc21 ZINC000006782448 569120499 /nfs/dbraw/zinc/12/04/99/569120499.db2.gz KARZYOSASJAKIN-GOSISDBHSA-N 1 1 412.509 3.164 50 0 HGAAMO Cc1ccc(C2=NN(C(=O)C[NH+]3CCC(C(N)=O)CC3)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000036343064 569142193 /nfs/dbraw/zinc/14/21/93/569142193.db2.gz WBLXJFIYVROAHO-HSZRJFAPSA-N 1 1 418.541 3.178 50 0 HGAAMO COc1ccccc1C1=NN(C(=O)CN2CC[NH+](C)CC2)[C@H](c2cc(C)ccc2C)C1 ZINC000036344690 569142843 /nfs/dbraw/zinc/14/28/43/569142843.db2.gz KLWVLCSEZASMAO-QHCPKHFHSA-N 1 1 420.557 3.237 50 0 HGAAMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Cn2cc(C(F)(F)F)ccc2=O)C1 ZINC000036390796 569166009 /nfs/dbraw/zinc/16/60/09/569166009.db2.gz ZEBMNDAKVHSODC-INIZCTEOSA-N 1 1 421.463 3.415 50 0 HGAAMO O=S(=O)(c1ccc(-c2nnc(C3CCC3)o2)o1)N1CC[NH+](C2CCCCC2)CC1 ZINC000065246411 569205602 /nfs/dbraw/zinc/20/56/02/569205602.db2.gz UQVYYWJZBDFUPQ-UHFFFAOYSA-N 1 1 420.535 3.236 50 0 HGAAMO CC[N@H+](CC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)Cc1ccccc1 ZINC000007444991 569239273 /nfs/dbraw/zinc/23/92/73/569239273.db2.gz PLCSLQGWTIROMI-UHFFFAOYSA-N 1 1 415.559 3.322 50 0 HGAAMO CC[N@@H+](CC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)Cc1ccccc1 ZINC000007444991 569239274 /nfs/dbraw/zinc/23/92/74/569239274.db2.gz PLCSLQGWTIROMI-UHFFFAOYSA-N 1 1 415.559 3.322 50 0 HGAAMO CC1CC[NH+](CC(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)CC1 ZINC000007447131 569239422 /nfs/dbraw/zinc/23/94/22/569239422.db2.gz CIYQJQNEIUKRSX-UHFFFAOYSA-N 1 1 401.532 3.182 50 0 HGAAMO CCOC(=O)[C@]1(Cc2ccccc2)CCCN1C(=O)c1cc(-n2cc[nH+]c2C)ccn1 ZINC000170611440 569245651 /nfs/dbraw/zinc/24/56/51/569245651.db2.gz GFULMDUBWKQQNB-XMMPIXPASA-N 1 1 418.497 3.356 50 0 HGAAMO C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1CC(=O)NCC1(c2ccccc2)CCC1 ZINC000089920319 569268837 /nfs/dbraw/zinc/26/88/37/569268837.db2.gz DRKLJUVPZCDKQZ-MOPGFXCFSA-N 1 1 415.578 3.460 50 0 HGAAMO COc1cc(C(C)=O)ccc1OCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000170653307 569295410 /nfs/dbraw/zinc/29/54/10/569295410.db2.gz WJPHAQKMPWMYMB-UWJYYQICSA-N 1 1 410.514 3.303 50 0 HGAAMO CC(C)C[NH+]1CCN([C@@H]2CCOC3(CCN(C(=O)CC4CCCC4)CC3)C2)CC1 ZINC000581820137 569321001 /nfs/dbraw/zinc/32/10/01/569321001.db2.gz UJVOSMAQRURRKD-JOCHJYFZSA-N 1 1 405.627 3.381 50 0 HGAAMO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)C[N@H+]1CCC[C@H](C)C1 ZINC000002296097 569369579 /nfs/dbraw/zinc/36/95/79/569369579.db2.gz MIJMCROWXZIUCA-NSHDSACASA-N 1 1 408.296 3.387 50 0 HGAAMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NS(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1 ZINC000079048546 569425354 /nfs/dbraw/zinc/42/53/54/569425354.db2.gz JRJMFWGGLPQOSK-CQSZACIVSA-N 1 1 409.467 3.327 50 0 HGAAMO COc1ccc(OC)c([C@H](C)NC(=O)C[N@@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000028724961 571037813 /nfs/dbraw/zinc/03/78/13/571037813.db2.gz GBTODMZNICNMTQ-IRXDYDNUSA-N 1 1 423.517 3.155 50 0 HGAAMO C[N@@H+](CCC(=O)Nc1ccnn1C1CCCC1)Cc1ccccc1N1CCOCC1 ZINC000040025019 571140206 /nfs/dbraw/zinc/14/02/06/571140206.db2.gz MQDCMJYEYYXOQD-UHFFFAOYSA-N 1 1 411.550 3.295 50 0 HGAAMO C[C@H]1C[C@H](C)C[NH+](Cc2csc(NC(=O)C3CCN(C(=O)C4CC4)CC3)n2)C1 ZINC000040037704 571141725 /nfs/dbraw/zinc/14/17/25/571141725.db2.gz YMRQDVDTDGEMJU-GJZGRUSLSA-N 1 1 404.580 3.208 50 0 HGAAMO CC(C)Cc1ccc(C(=O)C2CC[NH+]([C@H](C)C(=O)NC[C@@H]3CCCO3)CC2)cc1 ZINC000040105852 571166424 /nfs/dbraw/zinc/16/64/24/571166424.db2.gz ZEIOQYRCIKDMOT-GCJKJVERSA-N 1 1 400.563 3.464 50 0 HGAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)CCNC(=O)c2ccc(Br)cc2)C1 ZINC000040118842 571175094 /nfs/dbraw/zinc/17/50/94/571175094.db2.gz UWQBFPCCFVXFSN-IYBDPMFKSA-N 1 1 424.383 3.053 50 0 HGAAMO Cn1ccnc1COc1ccc(CN2CC[NH+](CCOc3ccccc3)CC2)cc1 ZINC000040135431 571188390 /nfs/dbraw/zinc/18/83/90/571188390.db2.gz REEQZMDTKYMCSC-UHFFFAOYSA-N 1 1 406.530 3.196 50 0 HGAAMO CSc1nccn1-c1cccc(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000040135745 571188797 /nfs/dbraw/zinc/18/87/97/571188797.db2.gz SGKUKQDYWATWLF-UHFFFAOYSA-N 1 1 422.554 3.356 50 0 HGAAMO O=C1CCCC[C@@H]1N1CCC([NH+]2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC1 ZINC000244975229 571211305 /nfs/dbraw/zinc/21/13/05/571211305.db2.gz IHILJPQZXYOGHP-SFHVURJKSA-N 1 1 410.484 3.199 50 0 HGAAMO Cc1ccc(NC(=O)C[NH+]2CCC(C(=O)NCc3c(F)cccc3F)CC2)cc1 ZINC000009069333 571218337 /nfs/dbraw/zinc/21/83/37/571218337.db2.gz RTPFLINWPUZQKD-UHFFFAOYSA-N 1 1 401.457 3.240 50 0 HGAAMO Cc1ccc(NC(=O)C[NH+]2CCC(C(=O)Nc3ccc4c(c3)OCCO4)CC2)c(C)c1 ZINC000009071785 571218489 /nfs/dbraw/zinc/21/84/89/571218489.db2.gz OZVKIDYHCXCQCZ-UHFFFAOYSA-N 1 1 423.513 3.364 50 0 HGAAMO CCCNC(=O)c1nnn(-c2cccc3c2CC[N@@H+](Cc2cccc(F)c2)C3)c1C ZINC000069926206 571249947 /nfs/dbraw/zinc/24/99/47/571249947.db2.gz PPRHMSIVANAOHC-UHFFFAOYSA-N 1 1 407.493 3.413 50 0 HGAAMO CC[C@H]1Oc2ccc(C)cc2N(CC(=O)NCCC[N@@H+]2CCCC[C@H]2CC)C1=O ZINC000004102053 132271166 /nfs/dbraw/zinc/27/11/66/132271166.db2.gz SDAAHTTYDIXUBO-UYAOXDASSA-N 1 1 401.551 3.270 50 0 HGAAMO C[NH+]1CCN(c2nc(N(c3ccccc3)c3ccccc3)nc(-n3ccnc3)n2)CC1 ZINC000004171629 132272563 /nfs/dbraw/zinc/27/25/63/132272563.db2.gz BSRLZKHNKKHZHE-UHFFFAOYSA-N 1 1 412.501 3.279 50 0 HGAAMO CCOC(=O)C1=C(C[NH2+]Cc2cccs2)NC(=O)N[C@@H]1c1ccccc1Cl ZINC000023805680 520520371 /nfs/dbraw/zinc/52/03/71/520520371.db2.gz YRLCJHRCTQXCRZ-QGZVFWFLSA-N 1 1 405.907 3.362 50 0 HGAAMO CCN(CC)S(=O)(=O)c1ccc(NC(=O)C[N@@H+](C)[C@H]2CCc3ccccc32)cc1 ZINC000029482828 520799989 /nfs/dbraw/zinc/79/99/89/520799989.db2.gz HHUMPMTVYBLUSV-NRFANRHFSA-N 1 1 415.559 3.275 50 0 HGAAMO COc1c(C)c[nH+]c(CN2CC[NH+]([C@H](C(=O)[O-])c3c(C)[nH]c4ccccc43)CC2)c1C ZINC000031811172 521812002 /nfs/dbraw/zinc/81/20/02/521812002.db2.gz FXJBPRPUTHLKMP-QFIPXVFZSA-N 1 1 422.529 3.440 50 0 HGAAMO COc1ccc(C(=O)N2CCCC2)c(OC2CC[NH+](Cc3ccc(CO)o3)CC2)c1 ZINC000012314268 523629481 /nfs/dbraw/zinc/62/94/81/523629481.db2.gz IRRWPFNRHNMMDK-UHFFFAOYSA-N 1 1 414.502 3.060 50 0 HGAAMO COc1cccc([C@H](NC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)c2nccn2C)c1 ZINC000045304480 524163253 /nfs/dbraw/zinc/16/32/53/524163253.db2.gz KUVNYZCDZPGCQN-RXVVDRJESA-N 1 1 413.566 3.329 50 0 HGAAMO O=S(=O)(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1cccc2nsnc21 ZINC000032811111 527209822 /nfs/dbraw/zinc/20/98/22/527209822.db2.gz KQRKESLVBRWXFM-UHFFFAOYSA-N 1 1 422.963 3.288 50 0 HGAAMO CCOc1ccc(N2C(=O)C[C@H]([NH+]3CCC(c4nc5ccccc5[nH]4)CC3)C2=O)cc1 ZINC000001441367 557264599 /nfs/dbraw/zinc/26/45/99/557264599.db2.gz CISVYJMJGOHDIT-NRFANRHFSA-N 1 1 418.497 3.473 50 0 HGAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1nc(Cc2ccccc2)n(-c2ccc(C)cc2)n1 ZINC000034911205 557476303 /nfs/dbraw/zinc/47/63/03/557476303.db2.gz RMMQUTNJAVFGGR-NRFANRHFSA-N 1 1 403.530 3.381 50 0 HGAAMO C[N@H+](Cc1ccccc1)[C@@H]1CC(=O)N(c2ccc(I)cc2)C1=O ZINC000009008023 557818900 /nfs/dbraw/zinc/81/89/00/557818900.db2.gz UXYHRWKZHDJGPW-MRXNPFEDSA-N 1 1 420.250 3.055 50 0 HGAAMO C[N@@H+](Cc1ccccc1)[C@@H]1CC(=O)N(c2ccc(I)cc2)C1=O ZINC000009008023 557818901 /nfs/dbraw/zinc/81/89/01/557818901.db2.gz UXYHRWKZHDJGPW-MRXNPFEDSA-N 1 1 420.250 3.055 50 0 HGAAMO COc1ccc(CN2CC[N@H+](Cc3ccc(OC)c(C)c3)[C@@H](CCO)C2)c(F)c1 ZINC000019739656 558260687 /nfs/dbraw/zinc/26/06/87/558260687.db2.gz CSBQLAKPQNIFKS-FQEVSTJZSA-N 1 1 402.510 3.220 50 0 HGAAMO COc1ccc(CN2CC[N@@H+](Cc3ccc(OC)c(C)c3)[C@@H](CCO)C2)c(F)c1 ZINC000019739656 558260689 /nfs/dbraw/zinc/26/06/89/558260689.db2.gz CSBQLAKPQNIFKS-FQEVSTJZSA-N 1 1 402.510 3.220 50 0 HGAAMO O=C(c1ccc2oc(Cc3ccccc3)nc2c1)N1CCC([NH+]2CCOCC2)CC1 ZINC000019741815 558262226 /nfs/dbraw/zinc/26/22/26/558262226.db2.gz DNVKEOWARFJNKD-UHFFFAOYSA-N 1 1 405.498 3.355 50 0 HGAAMO Cc1nnc(SCC(=O)N(C)[C@@H]2CCC[N@@H+](CCCc3ccccc3)C2)s1 ZINC000011817106 558280369 /nfs/dbraw/zinc/28/03/69/558280369.db2.gz PLMPLYWZHZISJP-GOSISDBHSA-N 1 1 404.605 3.494 50 0 HGAAMO CSCC[C@@H](C)[NH+]1CCC(N2CCC(C(=O)NCc3cccnc3)CC2)CC1 ZINC000011821385 558284410 /nfs/dbraw/zinc/28/44/10/558284410.db2.gz ROSWPCKLYULXQN-GOSISDBHSA-N 1 1 404.624 3.016 50 0 HGAAMO CSCC[C@@H](C)N1CCC([NH+]2CCC(C(=O)NCc3cccnc3)CC2)CC1 ZINC000011821385 558284411 /nfs/dbraw/zinc/28/44/11/558284411.db2.gz ROSWPCKLYULXQN-GOSISDBHSA-N 1 1 404.624 3.016 50 0 HGAAMO COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000011878646 558293117 /nfs/dbraw/zinc/29/31/17/558293117.db2.gz ZYMIMCMUMXGBNB-FQEVSTJZSA-N 1 1 402.560 3.331 50 0 HGAAMO OCC[C@H]1C[N@H+](C2CCN(c3ccccc3F)CC2)CCN1Cc1cccs1 ZINC000019840778 558293948 /nfs/dbraw/zinc/29/39/48/558293948.db2.gz OWXCSGTYRWWHSB-IBGZPJMESA-N 1 1 403.567 3.425 50 0 HGAAMO OCC[C@H]1CN(C2CCN(c3ccccc3F)CC2)CC[N@@H+]1Cc1cccs1 ZINC000019840778 558293951 /nfs/dbraw/zinc/29/39/51/558293951.db2.gz OWXCSGTYRWWHSB-IBGZPJMESA-N 1 1 403.567 3.425 50 0 HGAAMO OCC[C@H]1CN(C2CCN(c3ccccc3F)CC2)CC[N@H+]1Cc1cccs1 ZINC000019840778 558293955 /nfs/dbraw/zinc/29/39/55/558293955.db2.gz OWXCSGTYRWWHSB-IBGZPJMESA-N 1 1 403.567 3.425 50 0 HGAAMO COc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](Cc3cccc(C(C)=O)c3)C2)cc1 ZINC000011998264 558307403 /nfs/dbraw/zinc/30/74/03/558307403.db2.gz VNDODSDZKZFFIH-IBGZPJMESA-N 1 1 416.543 3.088 50 0 HGAAMO COc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](Cc3cccc(C(C)=O)c3)C2)cc1 ZINC000011998264 558307407 /nfs/dbraw/zinc/30/74/07/558307407.db2.gz VNDODSDZKZFFIH-IBGZPJMESA-N 1 1 416.543 3.088 50 0 HGAAMO C[C@@H](C[N@@H+]1CCc2nnc(CCNC(=O)c3ccc(F)cc3)n2CC1)c1ccccc1 ZINC000012040871 558312800 /nfs/dbraw/zinc/31/28/00/558312800.db2.gz KKMJOBBWROTAPV-SFHVURJKSA-N 1 1 421.520 3.052 50 0 HGAAMO CCC(=O)[C@@H]1CCCN(C(=O)CC[N@@H+]2Cc3cc(OC)ccc3O[C@@H](CC)C2)C1 ZINC000012055449 558315651 /nfs/dbraw/zinc/31/56/51/558315651.db2.gz RQPWPQYXTUEVJW-MJGOQNOKSA-N 1 1 402.535 3.276 50 0 HGAAMO CCC(=O)[C@@H]1CCCN(C(=O)CC[N@H+]2Cc3cc(OC)ccc3O[C@@H](CC)C2)C1 ZINC000012055449 558315653 /nfs/dbraw/zinc/31/56/53/558315653.db2.gz RQPWPQYXTUEVJW-MJGOQNOKSA-N 1 1 402.535 3.276 50 0 HGAAMO COc1ccc(-c2cn3c4ccccc4n(CC[NH+]4CCOCC4)c3n2)cc1OC ZINC000019973611 558316506 /nfs/dbraw/zinc/31/65/06/558316506.db2.gz CNBYHPUHKKMRON-UHFFFAOYSA-N 1 1 406.486 3.305 50 0 HGAAMO CC(=O)Nc1ccc(OC[C@H](O)C[NH+]2CCN(c3cc(Cl)ccc3C)CC2)cc1 ZINC000020029123 558323399 /nfs/dbraw/zinc/32/33/99/558323399.db2.gz CQJWMVQUXRHEJA-HXUWFJFHSA-N 1 1 417.937 3.169 50 0 HGAAMO Cc1ccc(C)c(-c2n[nH]cc2C[N@@H+]2CCN(Cc3cccc(C)n3)[C@@H](CCO)C2)c1 ZINC000020110053 558335221 /nfs/dbraw/zinc/33/52/21/558335221.db2.gz ZHXQKDUXBPXEIE-QHCPKHFHSA-N 1 1 419.573 3.466 50 0 HGAAMO Cc1ccc(C)c(-c2n[nH]cc2C[N@H+]2CCN(Cc3cccc(C)n3)[C@@H](CCO)C2)c1 ZINC000020110053 558335224 /nfs/dbraw/zinc/33/52/24/558335224.db2.gz ZHXQKDUXBPXEIE-QHCPKHFHSA-N 1 1 419.573 3.466 50 0 HGAAMO Cc1ccc(C)c(-c2n[nH]cc2CN2CC[N@H+](Cc3cccc(C)n3)[C@@H](CCO)C2)c1 ZINC000020110053 558335227 /nfs/dbraw/zinc/33/52/27/558335227.db2.gz ZHXQKDUXBPXEIE-QHCPKHFHSA-N 1 1 419.573 3.466 50 0 HGAAMO Cc1ccc(C)c(-c2n[nH]cc2CN2CC[N@@H+](Cc3cccc(C)n3)[C@@H](CCO)C2)c1 ZINC000020110053 558335231 /nfs/dbraw/zinc/33/52/31/558335231.db2.gz ZHXQKDUXBPXEIE-QHCPKHFHSA-N 1 1 419.573 3.466 50 0 HGAAMO CCOc1ccccc1C[N@@H+]1CCN(Cc2cc(CC(C)C)n[nH]2)C[C@@H]1CCO ZINC000020201053 558345741 /nfs/dbraw/zinc/34/57/41/558345741.db2.gz SOXSCXCFBRXXEQ-QFIPXVFZSA-N 1 1 400.567 3.076 50 0 HGAAMO CCOc1ccccc1C[N@H+]1CCN(Cc2cc(CC(C)C)n[nH]2)C[C@@H]1CCO ZINC000020201053 558345745 /nfs/dbraw/zinc/34/57/45/558345745.db2.gz SOXSCXCFBRXXEQ-QFIPXVFZSA-N 1 1 400.567 3.076 50 0 HGAAMO COc1ccc(OC)c([C@@H]2CC[N@H+](Cc3nc(-c4ccc5c(c4)OCO5)no3)C2)c1 ZINC000020205414 558346888 /nfs/dbraw/zinc/34/68/88/558346888.db2.gz ZXVSAQPNIPXGON-OAHLLOKOSA-N 1 1 409.442 3.472 50 0 HGAAMO COc1ccc(OC)c([C@@H]2CC[N@@H+](Cc3nc(-c4ccc5c(c4)OCO5)no3)C2)c1 ZINC000020205414 558346891 /nfs/dbraw/zinc/34/68/91/558346891.db2.gz ZXVSAQPNIPXGON-OAHLLOKOSA-N 1 1 409.442 3.472 50 0 HGAAMO O=C(N1CCC[C@](CO)(CCc2ccccc2)C1)C1([NH+]2CCOCC2)CCCCC1 ZINC000020255977 558352316 /nfs/dbraw/zinc/35/23/16/558352316.db2.gz IQUXUKJISCZRJV-DEOSSOPVSA-N 1 1 414.590 3.255 50 0 HGAAMO Cc1nn(C)c(Cl)c1CN1CCC[C@@H]([NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000020322760 558355315 /nfs/dbraw/zinc/35/53/15/558355315.db2.gz NTTQUKNFSBJQNG-QGZVFWFLSA-N 1 1 405.949 3.308 50 0 HGAAMO CN(C[C@@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1)C(=O)CSc1ncccn1 ZINC000012227708 558357358 /nfs/dbraw/zinc/35/73/58/558357358.db2.gz DRQOBFNQJPOYKV-SFHVURJKSA-N 1 1 402.539 3.121 50 0 HGAAMO COc1ccc(C[N@@H+]2CCc3nnc([C@@H](CC(C)C)NC(C)=O)n3CC2)c(C)c1C ZINC000020455596 558369241 /nfs/dbraw/zinc/36/92/41/558369241.db2.gz CUWGQUCIJGOYPV-HXUWFJFHSA-N 1 1 413.566 3.185 50 0 HGAAMO Cc1cc(C(=O)N(C[C@@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)n[nH]1 ZINC000012302839 558372424 /nfs/dbraw/zinc/37/24/24/558372424.db2.gz BZFGKJDYQKDVKV-QHCPKHFHSA-N 1 1 422.573 3.219 50 0 HGAAMO O=C(NCC[NH+]1CCCCC1)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 ZINC000012303965 558373425 /nfs/dbraw/zinc/37/34/25/558373425.db2.gz AXBVORWIJGUKGE-UHFFFAOYSA-N 1 1 422.573 3.341 50 0 HGAAMO CC[N@H+]1CCC[C@H]1CN/C=C1\c2ccccc2C(=O)N(c2ccc(OC)cc2)C1=O ZINC000020503989 558381256 /nfs/dbraw/zinc/38/12/56/558381256.db2.gz PBEUJHKXZRRKLN-RMDTYCCRSA-N 1 1 405.498 3.297 50 0 HGAAMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cc3ccc(F)cc3n(Cc3ccncc3)c2=O)C1 ZINC000012452032 558416125 /nfs/dbraw/zinc/41/61/25/558416125.db2.gz SDTMPVAVISFPQK-LJQANCHMSA-N 1 1 423.488 3.359 50 0 HGAAMO C[C@H]1CN(C(=O)CCc2nnc(C3(c4ccc(Cl)cc4)CCC3)o2)CC[N@@H+]1C ZINC000020907887 558421417 /nfs/dbraw/zinc/42/14/17/558421417.db2.gz QSTHUHSPOXHHFZ-HNNXBMFYSA-N 1 1 402.926 3.288 50 0 HGAAMO C[C@H]1CN(C(=O)CCc2nnc(C3(c4ccc(Cl)cc4)CCC3)o2)CC[N@H+]1C ZINC000020907887 558421419 /nfs/dbraw/zinc/42/14/19/558421419.db2.gz QSTHUHSPOXHHFZ-HNNXBMFYSA-N 1 1 402.926 3.288 50 0 HGAAMO CC(C)C[N@H+]1CCNC(=O)[C@H]1CC(=O)N(C)Cc1ccc(Oc2ccccc2)cc1 ZINC000012711768 558453095 /nfs/dbraw/zinc/45/30/95/558453095.db2.gz JXHZRLPPBUQHCK-JOCHJYFZSA-N 1 1 409.530 3.284 50 0 HGAAMO COc1cc(CN(C)Cc2csc(C)n2)ccc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000012747416 558458404 /nfs/dbraw/zinc/45/84/04/558458404.db2.gz BKACSJBVKTVJKP-IBGZPJMESA-N 1 1 407.580 3.172 50 0 HGAAMO c1c(CNCC[NH+]2CCCC2)c(-c2ccc3c(c2)OCCO3)nn1-c1ccccc1 ZINC000022025349 558458809 /nfs/dbraw/zinc/45/88/09/558458809.db2.gz KUKHPIPRMFRZSC-UHFFFAOYSA-N 1 1 404.514 3.496 50 0 HGAAMO COc1ccc(C[N@H+](C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C(F)(F)F)cc1 ZINC000012804071 558472761 /nfs/dbraw/zinc/47/27/61/558472761.db2.gz MHSAVVWBWXNNJJ-GOSISDBHSA-N 1 1 421.419 3.433 50 0 HGAAMO COc1ccc(C[N@@H+](C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C(F)(F)F)cc1 ZINC000012804071 558472763 /nfs/dbraw/zinc/47/27/63/558472763.db2.gz MHSAVVWBWXNNJJ-GOSISDBHSA-N 1 1 421.419 3.433 50 0 HGAAMO C[C@@H]1C[C@H](C)C[N@@H+](Cc2csc(NC(=O)c3ccc(N4CCOCC4)nc3)n2)C1 ZINC000022296759 558477120 /nfs/dbraw/zinc/47/71/20/558477120.db2.gz FBXXHBVNUYDIFB-IYBDPMFKSA-N 1 1 415.563 3.105 50 0 HGAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2csc(NC(=O)c3ccc(N4CCOCC4)nc3)n2)C1 ZINC000022296759 558477122 /nfs/dbraw/zinc/47/71/22/558477122.db2.gz FBXXHBVNUYDIFB-IYBDPMFKSA-N 1 1 415.563 3.105 50 0 HGAAMO COc1ccc(N2C(=O)C[C@@H]([N@H+](C)Cc3ccc(SC)cc3)C2=O)cc1OC ZINC000022535358 558497978 /nfs/dbraw/zinc/49/79/78/558497978.db2.gz GXFKLGFCWYYOIG-QGZVFWFLSA-N 1 1 400.500 3.190 50 0 HGAAMO COc1ccc(N2C(=O)C[C@@H]([N@@H+](C)Cc3ccc(SC)cc3)C2=O)cc1OC ZINC000022535358 558497979 /nfs/dbraw/zinc/49/79/79/558497979.db2.gz GXFKLGFCWYYOIG-QGZVFWFLSA-N 1 1 400.500 3.190 50 0 HGAAMO O=S(=O)(NCc1ccc(C[NH+]2CCOCC2)cc1)c1c(Cl)cccc1Cl ZINC000012996918 558498878 /nfs/dbraw/zinc/49/88/78/558498878.db2.gz VLRNCOZAJDQMSQ-UHFFFAOYSA-N 1 1 415.342 3.304 50 0 HGAAMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1CC[NH+](Cc2cccs2)CC1 ZINC000022788313 558511644 /nfs/dbraw/zinc/51/16/44/558511644.db2.gz HIUWJOSYXANBSN-UHFFFAOYSA-N 1 1 409.559 3.307 50 0 HGAAMO COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000022799460 558512640 /nfs/dbraw/zinc/51/26/40/558512640.db2.gz NNXKJOGRRFBOQO-ZJSXRUAMSA-N 1 1 423.557 3.480 50 0 HGAAMO Cc1ccc([C@@H](CNC(=O)c2cc(-c3cccs3)on2)N2CC[NH+](C)CC2)o1 ZINC000022938485 558527701 /nfs/dbraw/zinc/52/77/01/558527701.db2.gz VVQSMIANKNAHGB-MRXNPFEDSA-N 1 1 400.504 3.023 50 0 HGAAMO C[C@@H](CC(=O)NCCC[NH+]1CCOCC1)CC(=O)Nc1cccc(Cl)c1Cl ZINC000023157223 558539986 /nfs/dbraw/zinc/53/99/86/558539986.db2.gz WCEBUCOZJYKVJE-AWEZNQCLSA-N 1 1 416.349 3.187 50 0 HGAAMO COc1ccc(CC[N@@H+](C)[C@H]2CCCN(Cc3cnc(SC)nc3)C2)cc1OC ZINC000023360921 558552189 /nfs/dbraw/zinc/55/21/89/558552189.db2.gz GMOFKHYKGKAIBL-IBGZPJMESA-N 1 1 416.591 3.355 50 0 HGAAMO OCC[C@@H]1CN(Cc2cnn(-c3ccc(F)cc3)c2)CC[N@@H+]1Cc1ccc(F)cc1 ZINC000023374345 558553961 /nfs/dbraw/zinc/55/39/61/558553961.db2.gz HUXXTRDVXKTDSN-HSZRJFAPSA-N 1 1 412.484 3.219 50 0 HGAAMO OCC[C@@H]1CN(Cc2cnn(-c3ccc(F)cc3)c2)CC[N@H+]1Cc1ccc(F)cc1 ZINC000023374345 558553965 /nfs/dbraw/zinc/55/39/65/558553965.db2.gz HUXXTRDVXKTDSN-HSZRJFAPSA-N 1 1 412.484 3.219 50 0 HGAAMO COc1ccc(C[N@@H+]2CCC[C@@H](N3CCN(c4ccccc4OC)CC3)C2)cc1O ZINC000023374286 558554196 /nfs/dbraw/zinc/55/41/96/558554196.db2.gz VIPLJIXTOPZJKT-HXUWFJFHSA-N 1 1 411.546 3.196 50 0 HGAAMO COc1ccc(C[N@H+]2CCC[C@@H](N3CCN(c4ccccc4OC)CC3)C2)cc1O ZINC000023374286 558554197 /nfs/dbraw/zinc/55/41/97/558554197.db2.gz VIPLJIXTOPZJKT-HXUWFJFHSA-N 1 1 411.546 3.196 50 0 HGAAMO CN(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C(=O)Cc1cccc2ccccc21 ZINC000023846988 558577932 /nfs/dbraw/zinc/57/79/32/558577932.db2.gz BMPMHHBMEOMFED-UHFFFAOYSA-N 1 1 415.537 3.185 50 0 HGAAMO C[N@@H+](CCN1C(=O)CNC1=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000024843652 558617149 /nfs/dbraw/zinc/61/71/49/558617149.db2.gz QFDXTIFQUJCRPC-UHFFFAOYSA-N 1 1 423.904 3.176 50 0 HGAAMO O=C(CCNC(=O)c1ccc2ccccc2c1)NCC[N@H+]1CCc2ccccc2C1 ZINC000024915949 558620177 /nfs/dbraw/zinc/62/01/77/558620177.db2.gz ABXPAUQETORPGV-UHFFFAOYSA-N 1 1 401.510 3.134 50 0 HGAAMO CCc1nn2c(nc(C[N@@H+](Cc3ccc4c(c3)OCO4)C3CCCC3)cc2=O)s1 ZINC000027236721 558671253 /nfs/dbraw/zinc/67/12/53/558671253.db2.gz WVQYQJGTKWVSTE-UHFFFAOYSA-N 1 1 412.515 3.387 50 0 HGAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCc3cc(-c4csc(C)n4)ccc32)C1 ZINC000027343680 558672280 /nfs/dbraw/zinc/67/22/80/558672280.db2.gz IURRJXNFGBYMIQ-SFHVURJKSA-N 1 1 413.543 3.283 50 0 HGAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCc3cc(-c4csc(C)n4)ccc32)C1 ZINC000027343680 558672281 /nfs/dbraw/zinc/67/22/81/558672281.db2.gz IURRJXNFGBYMIQ-SFHVURJKSA-N 1 1 413.543 3.283 50 0 HGAAMO O=C(CN1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1)NCC(F)(F)F ZINC000027904740 558684291 /nfs/dbraw/zinc/68/42/91/558684291.db2.gz LKELPMMOGWIRQF-UHFFFAOYSA-N 1 1 415.456 3.350 50 0 HGAAMO CC(C)Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)c3ccc4c(c3)no[n+]4[O-])C2)cc1 ZINC000014966596 558685963 /nfs/dbraw/zinc/68/59/63/558685963.db2.gz AMOVUOOYIHATNF-FQEVSTJZSA-N 1 1 408.502 3.054 50 0 HGAAMO O=C(Cc1ccccc1)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cccc(OCCO)c2)C1 ZINC000014977452 558689683 /nfs/dbraw/zinc/68/96/83/558689683.db2.gz NWAJWFBKFLWOJM-VWNXMTODSA-N 1 1 408.542 3.113 50 0 HGAAMO CCOCC[NH+]1CCN(C(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)CC1 ZINC000072277986 558704183 /nfs/dbraw/zinc/70/41/83/558704183.db2.gz ZDOCMHCIMJCZSG-UHFFFAOYSA-N 1 1 414.481 3.264 50 0 HGAAMO O=C1NC2(CCCCC2)C(=O)N1CN1CC[NH+](Cc2csc3ccccc23)CC1 ZINC000028790393 558704479 /nfs/dbraw/zinc/70/44/79/558704479.db2.gz ICBLRPAQNYVOEW-UHFFFAOYSA-N 1 1 412.559 3.231 50 0 HGAAMO CCOC(=O)Cc1csc(NC(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)n1 ZINC000028930991 558707378 /nfs/dbraw/zinc/70/73/78/558707378.db2.gz MCJBIURNGFHZNO-GJZGRUSLSA-N 1 1 417.531 3.110 50 0 HGAAMO C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000030029707 558726502 /nfs/dbraw/zinc/72/65/02/558726502.db2.gz POGNYJALLLGSEA-OZSDXALVSA-N 1 1 409.574 3.223 50 0 HGAAMO C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000030029707 558726503 /nfs/dbraw/zinc/72/65/03/558726503.db2.gz POGNYJALLLGSEA-OZSDXALVSA-N 1 1 409.574 3.223 50 0 HGAAMO COc1ccc(CNC(=O)[C@H](C)[NH+]2CCC(O)(c3ccccc3C)CC2)cc1OC ZINC000072304937 558757357 /nfs/dbraw/zinc/75/73/57/558757357.db2.gz DTMRVQRHGUQWPO-SFHVURJKSA-N 1 1 412.530 3.001 50 0 HGAAMO C[C@@H](Cc1cnccn1)NC(=O)C1([N@@H+](C)Cc2ccccc2)Cc2ccccc2C1 ZINC000039354916 558820291 /nfs/dbraw/zinc/82/02/91/558820291.db2.gz LBLNGKJPGWDPBS-IBGZPJMESA-N 1 1 400.526 3.193 50 0 HGAAMO COc1cc(Cl)cc(CN2CC[N@@H+](Cc3ccccc3)[C@H](CCO)C2)c1OC ZINC000039454781 558821473 /nfs/dbraw/zinc/82/14/73/558821473.db2.gz FUKBEBOSYDHBLT-HXUWFJFHSA-N 1 1 404.938 3.426 50 0 HGAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)CCCn1c(=O)c2cccn2c2ccc(F)cc21 ZINC000033031772 558856556 /nfs/dbraw/zinc/85/65/56/558856556.db2.gz ZELCMSHAPAJNQK-KRWDZBQOSA-N 1 1 412.509 3.164 50 0 HGAAMO COc1ccc2ccc(OCc3nc(C(=O)N(C)C[C@H]4CC[N@@H+](C)C4)co3)cc2c1 ZINC000067975020 558862440 /nfs/dbraw/zinc/86/24/40/558862440.db2.gz IZOVCDDBXUQNFG-INIZCTEOSA-N 1 1 409.486 3.439 50 0 HGAAMO Cc1ccc(OCC(=O)Nc2cc(C(=O)N3CC[NH+](C)CC3)ccc2Cl)cc1 ZINC000071384600 558897074 /nfs/dbraw/zinc/89/70/74/558897074.db2.gz ZVYNDCMSVMQBSA-UHFFFAOYSA-N 1 1 401.894 3.054 50 0 HGAAMO CC[N@H+]1CCC[C@@H](CNc2cnn(-c3ccc(C(F)(F)F)cn3)c(=O)c2Cl)C1 ZINC000058060278 558897376 /nfs/dbraw/zinc/89/73/76/558897376.db2.gz CJLSHKZPIFHVJV-LBPRGKRZSA-N 1 1 415.847 3.444 50 0 HGAAMO CC[NH+]1CCN(C(=O)c2cn(Cc3ccccc3)nc2-c2cccc(OC)c2)CC1 ZINC000058148915 558902263 /nfs/dbraw/zinc/90/22/63/558902263.db2.gz ZLQLKSKDMWNPFD-UHFFFAOYSA-N 1 1 404.514 3.385 50 0 HGAAMO Cc1csc2c1ncnc2N1CCC([N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000071575208 558905206 /nfs/dbraw/zinc/90/52/06/558905206.db2.gz CPYVEEYXIXWKSP-KRWDZBQOSA-N 1 1 413.591 3.303 50 0 HGAAMO CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1C[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000058170508 558907918 /nfs/dbraw/zinc/90/79/18/558907918.db2.gz VNINISDJEULANV-CYBMUJFWSA-N 1 1 422.501 3.436 50 0 HGAAMO Cc1cccn2c(C[N@@H+]3CCCOCC3)c(C(=O)N(C)CCc3ccccc3)nc12 ZINC000071730210 558908173 /nfs/dbraw/zinc/90/81/73/558908173.db2.gz LJHBIBPEPKCONK-UHFFFAOYSA-N 1 1 406.530 3.180 50 0 HGAAMO Cc1cccn2c(C[N@H+]3CCCOCC3)c(C(=O)N(C)CCc3ccccc3)nc12 ZINC000071730210 558908175 /nfs/dbraw/zinc/90/81/75/558908175.db2.gz LJHBIBPEPKCONK-UHFFFAOYSA-N 1 1 406.530 3.180 50 0 HGAAMO CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000058316745 558919382 /nfs/dbraw/zinc/91/93/82/558919382.db2.gz YIIGAGAETZOJJK-QKLQHJQFSA-N 1 1 406.546 3.030 50 0 HGAAMO Cc1c(Cl)cccc1NC(=O)N1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC000072115851 558926957 /nfs/dbraw/zinc/92/69/57/558926957.db2.gz YMGLHSWALOTCNM-UHFFFAOYSA-N 1 1 400.914 3.393 50 0 HGAAMO O=C(c1ccc(C(F)(F)F)cc1)N1CCN(c2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC000072117310 558927235 /nfs/dbraw/zinc/92/72/35/558927235.db2.gz YRTMYLAPSJMYSJ-UHFFFAOYSA-N 1 1 419.451 3.448 50 0 HGAAMO COc1ccc(NC(=O)N2CCN(c3cc[nH+]c(N4CCCCC4)n3)CC2)c(C)c1 ZINC000072437199 558980522 /nfs/dbraw/zinc/98/05/22/558980522.db2.gz IVXSLGGDUXMYQO-UHFFFAOYSA-N 1 1 410.522 3.138 50 0 HGAAMO CN1CCN(c2ccc(NC(=O)C3CC[NH+](Cc4ccccc4F)CC3)cc2)CC1 ZINC000067601819 558987452 /nfs/dbraw/zinc/98/74/52/558987452.db2.gz TXVAWTRKFIVFTG-UHFFFAOYSA-N 1 1 410.537 3.428 50 0 HGAAMO Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)c3ccc(F)cc3F)CC2)[nH+]1 ZINC000067629733 558990320 /nfs/dbraw/zinc/99/03/20/558990320.db2.gz KEVBZHSZBIHVLH-UHFFFAOYSA-N 1 1 401.461 3.016 50 0 HGAAMO COc1cccc(C(=O)N2CCC[C@@H]([NH+]3CCN(c4ccccc4OC)CC3)C2)c1 ZINC000067675227 558991275 /nfs/dbraw/zinc/99/12/75/558991275.db2.gz QUEWJXKDQHAVQO-HXUWFJFHSA-N 1 1 409.530 3.131 50 0 HGAAMO C[C@H](C(=O)N1CCC2(CN(CC[N@@H+](C)C3CCCCC3)C(=O)O2)CC1)n1cccc1 ZINC000077353764 559002123 /nfs/dbraw/zinc/00/21/23/559002123.db2.gz MQKPGDLRCZFMSN-LJQANCHMSA-N 1 1 416.566 3.127 50 0 HGAAMO O=C(NCCc1ccccc1)[C@@H]1CCC[N@H+](C2CCN(c3ncccc3F)CC2)C1 ZINC000082087817 559037000 /nfs/dbraw/zinc/03/70/00/559037000.db2.gz UQZKXLKSDFPQIJ-HXUWFJFHSA-N 1 1 410.537 3.260 50 0 HGAAMO CN(C(=O)[C@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1)C(C1CC1)C1CC1 ZINC000082106170 559038133 /nfs/dbraw/zinc/03/81/33/559038133.db2.gz OCLXAYVGJPOPBE-QFIPXVFZSA-N 1 1 410.606 3.405 50 0 HGAAMO O=C(NC1CCOCC1)C1CC[NH+](C2CCN(CCCc3ccccc3)CC2)CC1 ZINC000082107169 559038443 /nfs/dbraw/zinc/03/84/43/559038443.db2.gz LVDRGPNYZHIUES-UHFFFAOYSA-N 1 1 413.606 3.091 50 0 HGAAMO CN(C(=O)[C@@H]1CCC[N@H+](C2CCN(CCc3ccccc3)CC2)C1)C1CCOCC1 ZINC000082114559 559039000 /nfs/dbraw/zinc/03/90/00/559039000.db2.gz CSPNHTMKEAVIEQ-JOCHJYFZSA-N 1 1 413.606 3.043 50 0 HGAAMO Cc1ccc(CNC(=O)[C@H]2CCC[N@H+](C3CCN(Cc4cccnc4)CC3)C2)s1 ZINC000082138672 559040698 /nfs/dbraw/zinc/04/06/98/559040698.db2.gz SOZGQLOPLITNDD-FQEVSTJZSA-N 1 1 412.603 3.444 50 0 HGAAMO CC[NH+]1CCN(C(=O)c2ccc(-c3nc4ccccc4n(CC(C)C)c3=O)cc2)CC1 ZINC000033298555 559047922 /nfs/dbraw/zinc/04/79/22/559047922.db2.gz NPFIEMKORRPLSP-UHFFFAOYSA-N 1 1 418.541 3.497 50 0 HGAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cn(C)c(=O)c2c1c1ccccc1n2C ZINC000004787798 559064268 /nfs/dbraw/zinc/06/42/68/559064268.db2.gz OUCDQKULCAYKRW-QGZVFWFLSA-N 1 1 408.546 3.415 50 0 HGAAMO O=C([C@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1)N1CCC(F)(F)CC1 ZINC000091635774 559072613 /nfs/dbraw/zinc/07/26/13/559072613.db2.gz HLFMBMYUMFUQTH-IBGZPJMESA-N 1 1 406.521 3.016 50 0 HGAAMO CN(C[C@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1)C(=O)c1cc(CO)ccn1 ZINC000095516827 559084550 /nfs/dbraw/zinc/08/45/50/559084550.db2.gz WGBPUVBMGKVBTF-LJQANCHMSA-N 1 1 401.938 3.254 50 0 HGAAMO CC(C)OC(=O)N1CCC(CCC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000095528415 559086445 /nfs/dbraw/zinc/08/64/45/559086445.db2.gz GVLHFUKGWLVCSD-NRFANRHFSA-N 1 1 401.551 3.414 50 0 HGAAMO Cc1cc(=O)c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)nn1-c1ccccc1Cl ZINC000014092894 559150484 /nfs/dbraw/zinc/15/04/84/559150484.db2.gz IZPZUIDIGYWROX-SFHVURJKSA-N 1 1 422.916 3.199 50 0 HGAAMO Cc1cc(=O)c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1-c1ccccc1Cl ZINC000014092894 559150485 /nfs/dbraw/zinc/15/04/85/559150485.db2.gz IZPZUIDIGYWROX-SFHVURJKSA-N 1 1 422.916 3.199 50 0 HGAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1cccn2c(=O)c3c(nc12)sc1c3CCCC1 ZINC000004971769 559220915 /nfs/dbraw/zinc/22/09/15/559220915.db2.gz LGBHFEWGYZPGRO-OAHLLOKOSA-N 1 1 424.570 3.392 50 0 HGAAMO CC[N@@H+](CCCNC(=O)Cn1ncc2c1c1ccccc1oc2=O)Cc1ccccc1 ZINC000005004108 559226749 /nfs/dbraw/zinc/22/67/49/559226749.db2.gz JSKOQABEOJJIFG-UHFFFAOYSA-N 1 1 418.497 3.171 50 0 HGAAMO COc1ccc(CNCc2ccccc2Cl)cc1OC[C@H](O)C[NH+]1CCCC1 ZINC000011719436 559255028 /nfs/dbraw/zinc/25/50/28/559255028.db2.gz VHPCEYCVORTWAQ-LJQANCHMSA-N 1 1 404.938 3.474 50 0 HGAAMO Cc1oc2c(c1C(=O)NCCC[N@@H+](Cc1ccccc1)C(C)C)C1=NCCN1C=N2 ZINC000100696067 559257096 /nfs/dbraw/zinc/25/70/96/559257096.db2.gz AZLCKEAWYHHFJE-UHFFFAOYSA-N 1 1 407.518 3.354 50 0 HGAAMO CC(C)CCn1c(CN2CC[NH+](C3CCCC3)CC2)cnc1S(=O)(=O)C(C)C ZINC000019743843 560560133 /nfs/dbraw/zinc/56/01/33/560560133.db2.gz MEKFNMGADQXCJV-UHFFFAOYSA-N 1 1 410.628 3.172 50 0 HGAAMO COc1ccc(N2C(=O)C[C@H]([NH+]3CCC(c4nc5ccccc5o4)CC3)C2=O)cc1 ZINC000018265585 560785766 /nfs/dbraw/zinc/78/57/66/560785766.db2.gz ZZGGXIUGBOZYOM-IBGZPJMESA-N 1 1 405.454 3.348 50 0 HGAAMO O=C(CCc1nc2cc(Br)cnc2[nH]1)NC[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000101413518 560794483 /nfs/dbraw/zinc/79/44/83/560794483.db2.gz HDCXFIQASNQSDD-CZUORRHYSA-N 1 1 420.355 3.034 50 0 HGAAMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccccc1Br)c1cccc(F)c1 ZINC000047032808 560879908 /nfs/dbraw/zinc/87/99/08/560879908.db2.gz WVZUAHJZSVLOKI-HNNXBMFYSA-N 1 1 401.301 3.169 50 0 HGAAMO C[N@@H+]1CC[C@H](NC(=O)C2CCN(CC(F)(F)F)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000107541944 560896592 /nfs/dbraw/zinc/89/65/92/560896592.db2.gz MLCKUKIHEVTQGA-DLBZAZTESA-N 1 1 403.876 3.476 50 0 HGAAMO C[N@H+]1CC[C@H](NC(=O)C2CCN(CC(F)(F)F)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000107541944 560896593 /nfs/dbraw/zinc/89/65/93/560896593.db2.gz MLCKUKIHEVTQGA-DLBZAZTESA-N 1 1 403.876 3.476 50 0 HGAAMO Cc1sc(-c2ccco2)nc1C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000107527301 560896759 /nfs/dbraw/zinc/89/67/59/560896759.db2.gz BJTHURNOIMYEGL-ROUUACIJSA-N 1 1 411.527 3.324 50 0 HGAAMO CCn1c(C)cc(O)c([C@@H](c2cccnc2)[NH+]2CCN(c3ccc(F)cc3)CC2)c1=O ZINC000022697476 568415489 /nfs/dbraw/zinc/41/54/89/568415489.db2.gz YJAVGQLCWXPTAB-HSZRJFAPSA-N 1 1 422.504 3.328 50 0 HGAAMO O=C(NCc1ccccc1)C(=O)NC[C@H](c1cccs1)[N@@H+]1CCc2ccccc2C1 ZINC000022908006 568416170 /nfs/dbraw/zinc/41/61/70/568416170.db2.gz MWWSDCYORPLUHF-OAQYLSRUSA-N 1 1 419.550 3.280 50 0 HGAAMO O=C(NCc1ccccc1)C(=O)NC[C@H](c1cccs1)[N@H+]1CCc2ccccc2C1 ZINC000022908006 568416171 /nfs/dbraw/zinc/41/61/71/568416171.db2.gz MWWSDCYORPLUHF-OAQYLSRUSA-N 1 1 419.550 3.280 50 0 HGAAMO CC(C)[C@H](CNC(=O)CCCOc1ccccc1Br)[NH+]1CCOCC1 ZINC000048111371 568431956 /nfs/dbraw/zinc/43/19/56/568431956.db2.gz GRMTWEXFILUXHM-KRWDZBQOSA-N 1 1 413.356 3.081 50 0 HGAAMO O=C(NCC1CC1)[C@@H]1CCC[N@@H+](Cc2cc(=O)n3c(-c4ccccc4)csc3n2)C1 ZINC000048303172 568437938 /nfs/dbraw/zinc/43/79/38/568437938.db2.gz HEGBMSRZWOAUGS-GOSISDBHSA-N 1 1 422.554 3.161 50 0 HGAAMO COc1ccc(CNC(=O)C[NH+]2CCC(c3nc(-c4cccc(F)c4)no3)CC2)cc1 ZINC000049403581 568448338 /nfs/dbraw/zinc/44/83/38/568448338.db2.gz GDLCJMMRTAZKKZ-UHFFFAOYSA-N 1 1 424.476 3.380 50 0 HGAAMO Cc1ccc(C(=O)NC2CCN(C(=O)NCC(C)(C)[N@H+]3C[C@H](C)C[C@H](C)C3)CC2)o1 ZINC000051711892 568473359 /nfs/dbraw/zinc/47/33/59/568473359.db2.gz VOFCGFKUAHMWQY-CALCHBBNSA-N 1 1 418.582 3.248 50 0 HGAAMO CC(=O)Oc1cc2c(oc(C)c2C(=O)NCCC[NH+]2CCOCC2)c2ccccc12 ZINC000020069214 568587154 /nfs/dbraw/zinc/58/71/54/568587154.db2.gz TUUKCILMEFDYSV-UHFFFAOYSA-N 1 1 410.470 3.272 50 0 HGAAMO COc1ccc(CC(=O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)cc1OC ZINC000020111746 568588624 /nfs/dbraw/zinc/58/86/24/568588624.db2.gz RHSXACKJDFTASK-QGZVFWFLSA-N 1 1 413.470 3.172 50 0 biogenic HGAAMO COc1ccc(CC(=O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)cc1OC ZINC000020111746 568588627 /nfs/dbraw/zinc/58/86/27/568588627.db2.gz RHSXACKJDFTASK-QGZVFWFLSA-N 1 1 413.470 3.172 50 0 biogenic HGAAMO CN1CC[NH+](CCCNC(=O)CCCn2nc(-c3ccccc3)c3ccccc32)CC1 ZINC000020355694 568600052 /nfs/dbraw/zinc/60/00/52/568600052.db2.gz KJDXCXLDTQXQSX-UHFFFAOYSA-N 1 1 419.573 3.237 50 0 HGAAMO Cc1nn([C@H](C)C(=O)NCC[N@H+]2CCCC[C@H]2C)c(=O)c2c3ccccc3sc21 ZINC000020466985 568610254 /nfs/dbraw/zinc/61/02/54/568610254.db2.gz PAAARZPLPHHPHR-GDBMZVCRSA-N 1 1 412.559 3.471 50 0 HGAAMO Cc1[nH]nc(-c2ccc(Cl)cc2)c1CC(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000095480782 568633390 /nfs/dbraw/zinc/63/33/90/568633390.db2.gz HWPVICMUZUDWBH-UHFFFAOYSA-N 1 1 423.948 3.363 50 0 HGAAMO COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000225500159 568643647 /nfs/dbraw/zinc/64/36/47/568643647.db2.gz IMRPHRBFTKBQKT-MJGOQNOKSA-N 1 1 419.953 3.086 50 0 HGAAMO COC(=O)CSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CC[N@@H+](C)C3 ZINC000020827081 568644517 /nfs/dbraw/zinc/64/45/17/568644517.db2.gz CFDVFPSGKPFPOY-UHFFFAOYSA-N 1 1 407.561 3.216 50 0 HGAAMO COC(=O)CSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CC[N@H+](C)C3 ZINC000020827081 568644519 /nfs/dbraw/zinc/64/45/19/568644519.db2.gz CFDVFPSGKPFPOY-UHFFFAOYSA-N 1 1 407.561 3.216 50 0 HGAAMO O=C(C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1)NCc1cccc(COCc2ccco2)c1 ZINC000095962942 568670583 /nfs/dbraw/zinc/67/05/83/568670583.db2.gz FDIWBQRVDSFBEW-HXUWFJFHSA-N 1 1 408.502 3.215 50 0 HGAAMO O=C(C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1)NCc1cccc(COCc2ccco2)c1 ZINC000095962942 568670586 /nfs/dbraw/zinc/67/05/86/568670586.db2.gz FDIWBQRVDSFBEW-HXUWFJFHSA-N 1 1 408.502 3.215 50 0 HGAAMO COc1cc(C[N@@H+](C)CC(C)(CO)CO)ccc1OCCOc1ccccc1Cl ZINC000095982904 568675540 /nfs/dbraw/zinc/67/55/40/568675540.db2.gz VNYUDMJHHJVLJD-UHFFFAOYSA-N 1 1 423.937 3.229 50 0 HGAAMO CN1C(=O)CC[C@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@H]1c1ccc(F)cc1 ZINC000096182567 568702783 /nfs/dbraw/zinc/70/27/83/568702783.db2.gz JVEWLUBLUCCFAF-JTHBVZDNSA-N 1 1 409.505 3.080 50 0 HGAAMO CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000229637924 568714854 /nfs/dbraw/zinc/71/48/54/568714854.db2.gz YIIGAGAETZOJJK-UWVAXJGDSA-N 1 1 406.546 3.030 50 0 HGAAMO CCc1ccc(N2CC[C@@H](C(=O)NCCC[N@H+]3CCc4ccccc4C3)C2=O)cc1 ZINC000021642752 568727806 /nfs/dbraw/zinc/72/78/06/568727806.db2.gz SOQVPJDHXIWPDL-QHCPKHFHSA-N 1 1 405.542 3.167 50 0 HGAAMO CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)c2ccc(OC)c(F)c2)CC1 ZINC000012459839 568756552 /nfs/dbraw/zinc/75/65/52/568756552.db2.gz MKPZLRODPJCRMM-IBGZPJMESA-N 1 1 419.541 3.067 50 0 HGAAMO CCOC(=O)C1=C(C[N@H+](CC)Cc2ccccc2)NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000057414707 568833629 /nfs/dbraw/zinc/83/36/29/568833629.db2.gz JHIMZJADXKPJKZ-JOCHJYFZSA-N 1 1 423.513 3.388 50 0 HGAAMO CCOC(=O)C1=C(C[N@@H+](CC)Cc2ccccc2)NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000057414707 568833631 /nfs/dbraw/zinc/83/36/31/568833631.db2.gz JHIMZJADXKPJKZ-JOCHJYFZSA-N 1 1 423.513 3.388 50 0 HGAAMO CCOC(=O)C1C(C[N@H+](CC)Cc2ccccc2)=NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000057414707 568833635 /nfs/dbraw/zinc/83/36/35/568833635.db2.gz JHIMZJADXKPJKZ-JOCHJYFZSA-N 1 1 423.513 3.388 50 0 HGAAMO CCOC(=O)C1C(C[N@@H+](CC)Cc2ccccc2)=NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000057414707 568833636 /nfs/dbraw/zinc/83/36/36/568833636.db2.gz JHIMZJADXKPJKZ-JOCHJYFZSA-N 1 1 423.513 3.388 50 0 HGAAMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1cnn(Cc2ccccc2Cl)c1 ZINC000029882351 568844429 /nfs/dbraw/zinc/84/44/29/568844429.db2.gz SXZCGYNQSFXYGY-UHFFFAOYSA-N 1 1 424.932 3.347 50 0 HGAAMO Cc1cccc(-n2c(CC(=O)NCC[N@@H+]3CCCC[C@H]3C)c3[nH]cccc-3c2=O)c1 ZINC000230114266 568847367 /nfs/dbraw/zinc/84/73/67/568847367.db2.gz FQVWUWPKZYEKMO-NQIIRXRSSA-N 1 1 406.530 3.472 50 0 HGAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(-n2c(=O)c3ccccc3[nH]c2=S)cc1 ZINC000003043737 568848123 /nfs/dbraw/zinc/84/81/23/568848123.db2.gz ZCXSKZVVSVSTFP-KRWDZBQOSA-N 1 1 408.527 3.262 50 0 HGAAMO Cc1cc(C)c(NC(=O)CNC(=O)C[N@H+]2Cc3ccccc3N(C)C[C@H]2C)c(C)c1 ZINC000230172077 568853898 /nfs/dbraw/zinc/85/38/98/568853898.db2.gz SBTWIAKXOGGSHU-LJQANCHMSA-N 1 1 408.546 3.007 50 0 HGAAMO Cc1cc(C)c(NC(=O)CNC(=O)C[N@@H+]2Cc3ccccc3N(C)C[C@H]2C)c(C)c1 ZINC000230172077 568853899 /nfs/dbraw/zinc/85/38/99/568853899.db2.gz SBTWIAKXOGGSHU-LJQANCHMSA-N 1 1 408.546 3.007 50 0 HGAAMO CCS(=O)(=O)c1ccccc1C(=O)NC1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000057646683 568857038 /nfs/dbraw/zinc/85/70/38/568857038.db2.gz SKUSMGQBKVYPLJ-UHFFFAOYSA-N 1 1 400.544 3.183 50 0 HGAAMO Cc1ccccc1C[NH+]1CCN(C(=O)CN(C)Cc2ccccc2N2CCCC2)CC1 ZINC000012613277 568871850 /nfs/dbraw/zinc/87/18/50/568871850.db2.gz KIFZLNIERRSULH-UHFFFAOYSA-N 1 1 420.601 3.371 50 0 HGAAMO CC[N@@H+]1Cc2ccccc2C[C@H]1C(=O)NCCc1nc2sc(C)c(C)c2c(=O)[nH]1 ZINC000670435288 568873410 /nfs/dbraw/zinc/87/34/10/568873410.db2.gz BNCBSTWEWQPMQB-KRWDZBQOSA-N 1 1 410.543 3.119 50 0 HGAAMO CC[N@H+]1Cc2ccccc2C[C@H]1C(=O)NCCc1nc2sc(C)c(C)c2c(=O)[nH]1 ZINC000670435288 568873412 /nfs/dbraw/zinc/87/34/12/568873412.db2.gz BNCBSTWEWQPMQB-KRWDZBQOSA-N 1 1 410.543 3.119 50 0 HGAAMO COC(=O)c1cc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H]2c2ccsc2)cc(C(=O)OC)c1 ZINC000052803881 568879245 /nfs/dbraw/zinc/87/92/45/568879245.db2.gz YAULYIOEAXKKCI-FZKQIMNGSA-N 1 1 416.499 3.485 50 0 HGAAMO COC(=O)c1cc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H]2c2ccsc2)cc(C(=O)OC)c1 ZINC000052803881 568879248 /nfs/dbraw/zinc/87/92/48/568879248.db2.gz YAULYIOEAXKKCI-FZKQIMNGSA-N 1 1 416.499 3.485 50 0 HGAAMO COc1cc(CC[C@@H](O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)ccc1O ZINC000004038160 568879856 /nfs/dbraw/zinc/87/98/56/568879856.db2.gz YFGLNZHQZLOTLC-IAGOWNOFSA-N 1 1 415.486 3.051 50 0 biogenic HGAAMO CN(Cc1c(F)cccc1Cl)C(=O)C[NH+]1CCC(NC(=O)c2ccccc2)CC1 ZINC000025827361 568921535 /nfs/dbraw/zinc/92/15/35/568921535.db2.gz VLRYZMMRHWMERA-UHFFFAOYSA-N 1 1 417.912 3.332 50 0 HGAAMO O=C(NCC[N@H+]1CCc2ccccc2C1)c1ccc(I)cc1 ZINC000031337935 568924446 /nfs/dbraw/zinc/92/44/46/568924446.db2.gz VRDSTCKEQGKPDM-UHFFFAOYSA-N 1 1 406.267 3.079 50 0 HGAAMO C[C@@H]([C@@H](O)c1ccccc1)[N@@H+](C)C[C@H]1C(=O)O[C@@H]2CC3=CCC[C@@H](C)[C@@]3(C)[C@H](O)[C@@H]21 ZINC000004028672 568934112 /nfs/dbraw/zinc/93/41/12/568934112.db2.gz SYTZVGPWDLPTPO-NYMVIXKVSA-N 1 1 413.558 3.325 50 0 biogenic HGAAMO COc1ccc([C@@H](O)C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)c(OC)c1 ZINC000004029310 568934213 /nfs/dbraw/zinc/93/42/13/568934213.db2.gz YLFOXWHTQSYROJ-IRXDYDNUSA-N 1 1 401.459 3.094 50 0 biogenic HGAAMO COc1ccc([C@@H](O)C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)c(OC)c1 ZINC000004029310 568934215 /nfs/dbraw/zinc/93/42/15/568934215.db2.gz YLFOXWHTQSYROJ-IRXDYDNUSA-N 1 1 401.459 3.094 50 0 biogenic HGAAMO C[N@H+](CCC(=O)Nc1ccccc1F)CC(=O)Nc1ccccc1Br ZINC000012773446 568952817 /nfs/dbraw/zinc/95/28/17/568952817.db2.gz HSFUKRXHDNSADG-UHFFFAOYSA-N 1 1 408.271 3.487 50 0 HGAAMO C[N@@H+](CCC(=O)Nc1ccccc1F)CC(=O)Nc1ccccc1Br ZINC000012773446 568952818 /nfs/dbraw/zinc/95/28/18/568952818.db2.gz HSFUKRXHDNSADG-UHFFFAOYSA-N 1 1 408.271 3.487 50 0 HGAAMO CCCC[N@@H+](CCNC(=O)c1ccc2c(c1)nc1n(c2=O)CCCC1)Cc1ccco1 ZINC000015677603 568965802 /nfs/dbraw/zinc/96/58/02/568965802.db2.gz GNERKWVSRLDMDZ-UHFFFAOYSA-N 1 1 422.529 3.358 50 0 HGAAMO O=C(C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)NC(=O)NC1CCCCC1 ZINC000008310455 568988707 /nfs/dbraw/zinc/98/87/07/568988707.db2.gz IGUSXKUKOYDCFT-SFHVURJKSA-N 1 1 401.507 3.143 50 0 HGAAMO O=C(C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)NC(=O)NC1CCCCC1 ZINC000008310455 568988708 /nfs/dbraw/zinc/98/87/08/568988708.db2.gz IGUSXKUKOYDCFT-SFHVURJKSA-N 1 1 401.507 3.143 50 0 HGAAMO Cc1ccccc1C[N@H+]1CCN(Cc2cnn(-c3ccccc3F)c2)C[C@H]1CCO ZINC000104338751 569008338 /nfs/dbraw/zinc/00/83/38/569008338.db2.gz FIYKRICMJPUFLY-JOCHJYFZSA-N 1 1 408.521 3.389 50 0 HGAAMO COc1ccc(CN2CCN(Cc3cc(CC(C)C)n[nH]3)C[C@H]2CCO)c(C)c1C ZINC000106740157 569009206 /nfs/dbraw/zinc/00/92/06/569009206.db2.gz WLKIKMBLCSUMDZ-HSZRJFAPSA-N 1 1 414.594 3.302 50 0 HGAAMO COc1ccc(C[N@@H+]2CCN(Cc3cc(CC(C)C)[nH]n3)C[C@H]2CCO)c(C)c1C ZINC000106740157 569009207 /nfs/dbraw/zinc/00/92/07/569009207.db2.gz WLKIKMBLCSUMDZ-HSZRJFAPSA-N 1 1 414.594 3.302 50 0 HGAAMO COc1ccc(NC(=O)[C@H](NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)c2ccccc2)cc1 ZINC000035380382 569034519 /nfs/dbraw/zinc/03/45/19/569034519.db2.gz PWZUGYRLXOMINL-XZOQPEGZSA-N 1 1 415.493 3.206 50 0 HGAAMO CCc1cccc(NC(=O)Cn2c(C)nc3c(c2=O)CC[N@H+](Cc2ccccc2)C3)c1 ZINC000035456121 569037971 /nfs/dbraw/zinc/03/79/71/569037971.db2.gz JBJDBIAFYOGZLS-UHFFFAOYSA-N 1 1 416.525 3.311 50 0 HGAAMO CCc1cccc(NC(=O)Cn2c(C)nc3c(c2=O)CC[N@@H+](Cc2ccccc2)C3)c1 ZINC000035456121 569037972 /nfs/dbraw/zinc/03/79/72/569037972.db2.gz JBJDBIAFYOGZLS-UHFFFAOYSA-N 1 1 416.525 3.311 50 0 HGAAMO COc1cccc(NC(=O)[C@H](NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)c2ccccc2)c1 ZINC000035485604 569039741 /nfs/dbraw/zinc/03/97/41/569039741.db2.gz MESIDAFQUYUKTR-XZOQPEGZSA-N 1 1 415.493 3.206 50 0 HGAAMO Cc1[nH+]ccn1C[C@@H](C)C(=O)NCc1nc2cccnc2n1Cc1ccc(F)cc1 ZINC000035510824 569043016 /nfs/dbraw/zinc/04/30/16/569043016.db2.gz TYMYTWGGERAYHN-OAHLLOKOSA-N 1 1 406.465 3.076 50 0 HGAAMO CCS(=O)(=O)c1ccc(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000462257831 569052863 /nfs/dbraw/zinc/05/28/63/569052863.db2.gz JPYYPXAXVLDHOX-OXJNMPFZSA-N 1 1 401.532 3.122 50 0 HGAAMO C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[N@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC000239402894 569054298 /nfs/dbraw/zinc/05/42/98/569054298.db2.gz RGMFWZJLWGHHAD-QYZOEREBSA-N 1 1 419.591 3.310 50 0 HGAAMO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000245242166 569055297 /nfs/dbraw/zinc/05/52/97/569055297.db2.gz GDODBXYULPSREU-KEXUJGGDSA-N 1 1 421.884 3.080 50 0 HGAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000035889747 569064904 /nfs/dbraw/zinc/06/49/04/569064904.db2.gz MLICOSSRVQCELY-ZHSNQQFMSA-N 1 1 421.884 3.080 50 0 HGAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000035889747 569064905 /nfs/dbraw/zinc/06/49/05/569064905.db2.gz MLICOSSRVQCELY-ZHSNQQFMSA-N 1 1 421.884 3.080 50 0 HGAAMO COc1cccc(CN2CCC[C@@]3(CC[N@@H+](CCc4ccccn4)C3)C2=O)c1OC ZINC000426397355 569072598 /nfs/dbraw/zinc/07/25/98/569072598.db2.gz HPBCIDUMMFSUEW-DEOSSOPVSA-N 1 1 409.530 3.156 50 0 HGAAMO Cc1noc(C)c1CN1CCc2c(C(=O)N(C)C[C@@H]3CCCC[N@H+]3C)csc2C1 ZINC000426432064 569072954 /nfs/dbraw/zinc/07/29/54/569072954.db2.gz VFCBDXGLZQGZBX-KRWDZBQOSA-N 1 1 416.591 3.468 50 0 HGAAMO CC(C)c1ccc(C[N@H+]2CCC[C@]3(CCN(C(=O)c4c[nH]c(=O)[nH]c4=O)C3)C2)cc1 ZINC000426517689 569073241 /nfs/dbraw/zinc/07/32/41/569073241.db2.gz XAUPJWVLLLAEQO-QHCPKHFHSA-N 1 1 410.518 3.140 50 0 HGAAMO COc1cc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)N2CCCCC2)ccc1O ZINC000006641827 569078133 /nfs/dbraw/zinc/07/81/33/569078133.db2.gz WTNJGYFYMAQZAK-LEOXJPRUSA-N 1 1 402.535 3.081 50 0 biogenic HGAAMO O=C(Cn1c(-c2cccs2)cc2cc(F)ccc21)NCCC[NH+]1CCOCC1 ZINC000064816508 569100688 /nfs/dbraw/zinc/10/06/88/569100688.db2.gz IQFOUZIQSFHMCO-UHFFFAOYSA-N 1 1 401.507 3.347 50 0 HGAAMO Cc1c(C(=O)NCCC[N@@H+]2[C@H](C)CCC[C@@H]2C)sc2nc3n(c(=O)c12)CCCC3 ZINC000006841172 569151878 /nfs/dbraw/zinc/15/18/78/569151878.db2.gz DIPQOZRJLVAZSV-GASCZTMLSA-N 1 1 416.591 3.486 50 0 HGAAMO Cc1ccc2ncc(C(=O)NCc3ccccc3C[N@@H+]3CCC[C@H](C)C3)c(=O)n2c1 ZINC000036390703 569165886 /nfs/dbraw/zinc/16/58/86/569165886.db2.gz UTQIJWVVCRVWJV-KRWDZBQOSA-N 1 1 404.514 3.165 50 0 HGAAMO CCCC1N=NC(=S)N1CC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000036391249 569166345 /nfs/dbraw/zinc/16/63/45/569166345.db2.gz CAWLQCNYQPQYCC-MRXNPFEDSA-N 1 1 401.580 3.068 50 0 HGAAMO O=C(Nc1ccc(Cl)cc1F)N1CCC[N@@H+]([C@@H]2CCN(CC3CC3)C2=O)CC1 ZINC000169792345 569178057 /nfs/dbraw/zinc/17/80/57/569178057.db2.gz GZRPMAUNJMVSEE-GOSISDBHSA-N 1 1 408.905 3.030 50 0 HGAAMO O=C(Nc1ccc(Cl)cc1F)N1CCC[N@H+]([C@@H]2CCN(CC3CC3)C2=O)CC1 ZINC000169792345 569178058 /nfs/dbraw/zinc/17/80/58/569178058.db2.gz GZRPMAUNJMVSEE-GOSISDBHSA-N 1 1 408.905 3.030 50 0 HGAAMO CC(=O)Nc1cc2nc(C)ccc2c(C(=O)NCC[N@H+]2CCc3ccccc3C2)c1 ZINC000065135939 569184063 /nfs/dbraw/zinc/18/40/63/569184063.db2.gz HXJQGWNCIYSNRK-UHFFFAOYSA-N 1 1 402.498 3.290 50 0 HGAAMO Cc1cccc(CC(=O)N2CCC[N@@H+]([C@H]3CCN(Cc4ccc(F)cc4)C3=O)CC2)c1 ZINC000065293328 569218383 /nfs/dbraw/zinc/21/83/83/569218383.db2.gz JTIDMDHWGAWBIT-QHCPKHFHSA-N 1 1 423.532 3.012 50 0 HGAAMO Cc1cccc(CC(=O)N2CCC[N@H+]([C@H]3CCN(Cc4ccc(F)cc4)C3=O)CC2)c1 ZINC000065293328 569218384 /nfs/dbraw/zinc/21/83/84/569218384.db2.gz JTIDMDHWGAWBIT-QHCPKHFHSA-N 1 1 423.532 3.012 50 0 HGAAMO CCc1ccc([C@H](CNS(=O)(=O)c2cnccc2C(F)(F)F)[NH+](C)C)cc1 ZINC000170603995 569244176 /nfs/dbraw/zinc/24/41/76/569244176.db2.gz QFQKUZZOWGTKCF-INIZCTEOSA-N 1 1 401.454 3.244 50 0 HGAAMO O=C(COc1ccc2c(c1)oc(=O)c1c2CCCC1)NC[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000170613441 569246882 /nfs/dbraw/zinc/24/68/82/569246882.db2.gz SOZSZWOEIJUELM-JTSKRJEESA-N 1 1 424.541 3.431 50 0 HGAAMO C[C@H](OC[C@H]1CCCCO1)C(=O)Nc1ccnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000252570426 569294345 /nfs/dbraw/zinc/29/43/45/569294345.db2.gz WSQBRNLMPJFREI-SESVDKBCSA-N 1 1 412.534 3.243 50 0 HGAAMO CC1CC[NH+](Cc2nc3sc4c(c3c(NCCN3CCOCC3)n2)CCC4)CC1 ZINC000007814127 569312452 /nfs/dbraw/zinc/31/24/52/569312452.db2.gz KYKOIINZIMLFGK-UHFFFAOYSA-N 1 1 415.607 3.156 50 0 HGAAMO Cc1ccc(NC(=O)C[NH+]2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c(C)c1 ZINC000007875086 569315021 /nfs/dbraw/zinc/31/50/21/569315021.db2.gz ADRZVFWSBBDAOP-UHFFFAOYSA-N 1 1 409.486 3.321 50 0 HGAAMO O=C(CCCCCn1cnc2ccccc2c1=O)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000253398929 569365560 /nfs/dbraw/zinc/36/55/60/569365560.db2.gz CKMXGZXGFLDYIH-SIKLNZKXSA-N 1 1 410.562 3.338 50 0 biogenic HGAAMO COc1cc(CC[C@H](O)C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)ccc1O ZINC000012661120 569402625 /nfs/dbraw/zinc/40/26/25/569402625.db2.gz YFGLNZHQZLOTLC-IRXDYDNUSA-N 1 1 415.486 3.051 50 0 biogenic HGAAMO Cc1ccccc1C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000013040383 569407961 /nfs/dbraw/zinc/40/79/61/569407961.db2.gz AIHXSZXTMAGJLH-SFHVURJKSA-N 1 1 415.559 3.239 50 0 HGAAMO CC1(C)C[C@H](C2N3CC4(c5ccccc5)C[NH+]2CC(c2ccccc2)(C3)C4O)CCO1 ZINC000019331526 569419914 /nfs/dbraw/zinc/41/99/14/569419914.db2.gz SKLWFEQPZRPBDH-ICUVJHSQSA-N 1 1 418.581 3.399 50 0 biogenic HGAAMO O=C(CCc1nc2cc(Br)cnc2[nH]1)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000079191713 569429278 /nfs/dbraw/zinc/42/92/78/569429278.db2.gz HDCXFIQASNQSDD-XJKSGUPXSA-N 1 1 420.355 3.034 50 0 biogenic HGAAMO CC(C)Cc1ccc(C(=O)C2CC[NH+]([C@H](C)C(=O)NC[C@H]3CCCO3)CC2)cc1 ZINC000040105854 571166472 /nfs/dbraw/zinc/16/64/72/571166472.db2.gz ZEIOQYRCIKDMOT-XMSQKQJNSA-N 1 1 400.563 3.464 50 0 HGAAMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H]2CCCN(c3cnccn3)C2)C1 ZINC000040112284 571170441 /nfs/dbraw/zinc/17/04/41/571170441.db2.gz WPWYFCUHQSGAIX-DENIHFKCSA-N 1 1 407.562 3.241 50 0 HGAAMO Cc1cc(S(=O)(=O)NC[C@@H](c2cccs2)[NH+](C)C)ccc1Br ZINC000069082802 571196371 /nfs/dbraw/zinc/19/63/71/571196371.db2.gz BGVATSJPVSYOLQ-AWEZNQCLSA-N 1 1 403.367 3.400 50 0 HGAAMO CCOC(=O)C1=C(C[N@H+]2CCCC[C@H]2C)N(CC)C(=O)N[C@H]1c1cccc(OC)c1 ZINC000245326905 571224964 /nfs/dbraw/zinc/22/49/64/571224964.db2.gz HBNKXLQEHLNBGD-IERDGZPVSA-N 1 1 415.534 3.473 50 0 HGAAMO Cc1cc(=O)n2c(n1)NC(N1CCC([NH+]3CCCCC3)CC1)=N[C@@H]2[C@H]1CC=CCC1 ZINC000009289500 571245343 /nfs/dbraw/zinc/24/53/43/571245343.db2.gz GSIKTTRSOHBPIU-RXVVDRJESA-N 1 1 410.566 3.138 50 0 HGAAMO Cc1c(C(=O)NC(C)C)nnn1-c1cccc2c1CC[N@H+](Cc1ccccc1F)C2 ZINC000069843388 571246772 /nfs/dbraw/zinc/24/67/72/571246772.db2.gz AICJOKLAQCVGQR-UHFFFAOYSA-N 1 1 407.493 3.411 50 0 HGAAMO Cc1c(C(=O)NC(C)C)nnn1-c1cccc2c1CC[N@@H+](Cc1ccccc1F)C2 ZINC000069843388 571246774 /nfs/dbraw/zinc/24/67/74/571246774.db2.gz AICJOKLAQCVGQR-UHFFFAOYSA-N 1 1 407.493 3.411 50 0 HGAAMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)CCCn2nnc(-c3ccccc3)n2)C1 ZINC000069929035 571250143 /nfs/dbraw/zinc/25/01/43/571250143.db2.gz QFUNEIXGZALZOI-RXVVDRJESA-N 1 1 404.518 3.072 50 0 HGAAMO O=C(CN1CC[NH+](Cc2cccs2)CC1)N1c2ccccc2NC(=O)C12CCCC2 ZINC000069950467 571250990 /nfs/dbraw/zinc/25/09/90/571250990.db2.gz KWLKLZAXWZGQAS-UHFFFAOYSA-N 1 1 424.570 3.164 50 0 HGAAMO C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)c2ccc(-c3ccco3)[nH]c2=O)C[C@@H](C)O1 ZINC000070037803 571254818 /nfs/dbraw/zinc/25/48/18/571254818.db2.gz SRUSDMRZISTUJL-IAGOWNOFSA-N 1 1 421.497 3.174 50 0 HGAAMO O=C(C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000009645011 571276153 /nfs/dbraw/zinc/27/61/53/571276153.db2.gz AGVNETRFBYXVQT-ZDUSSCGKSA-N 1 1 407.499 3.284 50 0 HGAAMO O=C(C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000009645011 571276154 /nfs/dbraw/zinc/27/61/54/571276154.db2.gz AGVNETRFBYXVQT-ZDUSSCGKSA-N 1 1 407.499 3.284 50 0 HGAAMO O=C(Cn1ccc2ccccc21)N1CC[NH+](CCn2ccnc2-c2ccccc2)CC1 ZINC000077158613 571311830 /nfs/dbraw/zinc/31/18/30/571311830.db2.gz BMWRMUKNIVCYQH-UHFFFAOYSA-N 1 1 413.525 3.349 50 0 HGAAMO CC[NH+]1CCN(C(=O)CCCN2c3cccnc3Sc3ccccc3C2=O)CC1 ZINC000020512268 571314716 /nfs/dbraw/zinc/31/47/16/571314716.db2.gz SATRXHDWNNTIBZ-UHFFFAOYSA-N 1 1 410.543 3.137 50 0 HGAAMO COC(=O)c1cc(-c2ccccc2)sc1NC(=S)NCCC[NH+]1CCOCC1 ZINC000022468424 571315329 /nfs/dbraw/zinc/31/53/29/571315329.db2.gz XKJXBJAXLWFSID-UHFFFAOYSA-N 1 1 419.572 3.210 50 0 HGAAMO Cc1c(C(=O)OC(C)C)sc2[nH]c(C[N@H+](C[C@H](C)O)C3CCCCC3)nc(=O)c12 ZINC000036207445 571317316 /nfs/dbraw/zinc/31/73/16/571317316.db2.gz UHFGGSAJTUXJRS-ZDUSSCGKSA-N 1 1 421.563 3.374 50 0 HGAAMO C[C@@H]1CN(C(=O)CCC(=O)NCCC[N@@H+](C)Cc2ccccc2)c2ccccc2O1 ZINC000006798317 132317248 /nfs/dbraw/zinc/31/72/48/132317248.db2.gz BLVYWJDVOUPWFM-LJQANCHMSA-N 1 1 409.530 3.219 50 0 HGAAMO O=C(C[N@@H+]1CCc2sccc2[C@@H]1c1ccccc1)N1CCN(c2ccccn2)CC1 ZINC000008327925 132329558 /nfs/dbraw/zinc/32/95/58/132329558.db2.gz UZBCMBLGMORPQU-DEOSSOPVSA-N 1 1 418.566 3.439 50 0 HGAAMO O=C(C[N@H+]1CCc2sccc2[C@@H]1c1ccccc1)N1CCN(c2ccccn2)CC1 ZINC000008327925 132329559 /nfs/dbraw/zinc/32/95/59/132329559.db2.gz UZBCMBLGMORPQU-DEOSSOPVSA-N 1 1 418.566 3.439 50 0 HGAAMO O=C(NCCCOc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1)C1CCC1 ZINC000011970525 132352705 /nfs/dbraw/zinc/35/27/05/132352705.db2.gz QENQVIVFQWMAJI-UHFFFAOYSA-N 1 1 408.546 3.089 50 0 HGAAMO CC[NH+]1CCN(C(=O)c2csc(NC(=O)c3ccc(Cl)cc3Cl)n2)CC1 ZINC000040355770 521670770 /nfs/dbraw/zinc/67/07/70/521670770.db2.gz LJBNYTNUCRRNJX-UHFFFAOYSA-N 1 1 413.330 3.480 50 0 HGAAMO CCN1CC[NH+](CCCNC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)CC1 ZINC000032915225 521680736 /nfs/dbraw/zinc/68/07/36/521680736.db2.gz FWTTXOFXAZBCGQ-UHFFFAOYSA-N 1 1 409.534 3.088 50 0 HGAAMO CC[C@@H](CNC(=O)COc1ccc(C(C)=O)cc1OC)[N@H+]1CCc2ccccc2C1 ZINC000032446209 522530028 /nfs/dbraw/zinc/53/00/28/522530028.db2.gz KOYDGEPONYNAKK-NRFANRHFSA-N 1 1 410.514 3.230 50 0 HGAAMO CN(C(=O)c1csc(NC(=O)c2cccc(C(F)(F)F)c2)n1)[C@@H]1CC[N@@H+](C)C1 ZINC000040355604 523963300 /nfs/dbraw/zinc/96/33/00/523963300.db2.gz JUSBKXIBLQRWLJ-CYBMUJFWSA-N 1 1 412.437 3.190 50 0 HGAAMO CCc1ccc([C@@H](C)NC(=O)[C@H](C)N2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000072305622 524023333 /nfs/dbraw/zinc/02/33/33/524023333.db2.gz FZVQBVBSEZYQMJ-UXHICEINSA-N 1 1 401.595 3.392 50 0 HGAAMO COc1ccc(CN2CC[N@@H+](Cc3cccc4cnccc43)C[C@@H]2CCO)c(F)c1 ZINC000020599455 524033004 /nfs/dbraw/zinc/03/30/04/524033004.db2.gz NTAUDUIGGWPOHJ-NRFANRHFSA-N 1 1 409.505 3.451 50 0 HGAAMO Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[NH+]1CCC(OCc2ccccc2)CC1 ZINC000032851169 524278057 /nfs/dbraw/zinc/27/80/57/524278057.db2.gz MIPUPAQNLAIMEB-FQEVSTJZSA-N 1 1 423.557 3.428 50 0 HGAAMO OCC[C@H]1C[N@H+](Cc2cc(F)ccc2-n2cccn2)CCN1Cc1ccc(F)cc1 ZINC000020599311 527573208 /nfs/dbraw/zinc/57/32/08/527573208.db2.gz LDLLCOAPKUJZFB-QFIPXVFZSA-N 1 1 412.484 3.219 50 0 HGAAMO OCC[C@H]1C[N@@H+](Cc2cc(F)ccc2-n2cccn2)CCN1Cc1ccc(F)cc1 ZINC000020599311 527573210 /nfs/dbraw/zinc/57/32/10/527573210.db2.gz LDLLCOAPKUJZFB-QFIPXVFZSA-N 1 1 412.484 3.219 50 0 HGAAMO OCC[C@H]1CN(Cc2cc(F)ccc2-n2cccn2)CC[N@@H+]1Cc1ccc(F)cc1 ZINC000020599311 527573219 /nfs/dbraw/zinc/57/32/19/527573219.db2.gz LDLLCOAPKUJZFB-QFIPXVFZSA-N 1 1 412.484 3.219 50 0 HGAAMO OCC[C@H]1CN(Cc2cc(F)ccc2-n2cccn2)CC[N@H+]1Cc1ccc(F)cc1 ZINC000020599311 527573226 /nfs/dbraw/zinc/57/32/26/527573226.db2.gz LDLLCOAPKUJZFB-QFIPXVFZSA-N 1 1 412.484 3.219 50 0 HGAAMO CC[N@H+]1CCC[C@@H]1CN/C=C1\c2ccccc2C(=O)N(c2ccccc2OC)C1=O ZINC000002198097 535548704 /nfs/dbraw/zinc/54/87/04/535548704.db2.gz QGBBVLJFUAZDFP-PBEQFFAXSA-N 1 1 405.498 3.297 50 0 HGAAMO CC[N@H+]1CCC[C@H]1CNC(=O)CN1C(=O)/C(=C\c2ccc(F)cc2)Oc2ccccc21 ZINC000004932648 535599946 /nfs/dbraw/zinc/59/99/46/535599946.db2.gz ADIQCXUDMWODBV-KWJZBXMYSA-N 1 1 423.488 3.193 50 0 HGAAMO COCCN(C[C@H]1C[N@@H+](Cc2cccs2)C[C@@H]1c1cccc(F)c1)C(=O)COC ZINC000034740551 557444102 /nfs/dbraw/zinc/44/41/02/557444102.db2.gz BFMVLCFRMIGXQR-WIYYLYMNSA-N 1 1 420.550 3.224 50 0 HGAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1nc(Cc2ccccc2)n(-c2ccc(C)cc2)n1 ZINC000034911203 557476126 /nfs/dbraw/zinc/47/61/26/557476126.db2.gz RMMQUTNJAVFGGR-OAQYLSRUSA-N 1 1 403.530 3.381 50 0 HGAAMO CC[N@H+]1CCC[C@H]1CNc1nc2ccc(C(=O)c3ccccc3)cc2n2cnnc12 ZINC000006901589 557729443 /nfs/dbraw/zinc/72/94/43/557729443.db2.gz RAIQMLXIGJSBSR-SFHVURJKSA-N 1 1 400.486 3.405 50 0 HGAAMO O=c1[nH]c(CN2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)nc2ccccc21 ZINC000022788930 557824228 /nfs/dbraw/zinc/82/42/28/557824228.db2.gz KVORTXWXJBQVCX-UHFFFAOYSA-N 1 1 402.420 3.260 50 0 HGAAMO COc1cc(C[N@@H+]2CCN(Cc3cccc(Cl)c3)C[C@@H]2CCO)cc(OC)c1 ZINC000019746030 558266055 /nfs/dbraw/zinc/26/60/55/558266055.db2.gz JVXAARANRDCNHN-FQEVSTJZSA-N 1 1 404.938 3.426 50 0 HGAAMO COc1cc(C[N@H+]2CCN(Cc3cccc(Cl)c3)C[C@@H]2CCO)cc(OC)c1 ZINC000019746030 558266057 /nfs/dbraw/zinc/26/60/57/558266057.db2.gz JVXAARANRDCNHN-FQEVSTJZSA-N 1 1 404.938 3.426 50 0 HGAAMO COc1ccc(CNCc2cccnc2)c(OC[C@H](O)C[NH+]2CCCCCCC2)c1 ZINC000011668218 558269931 /nfs/dbraw/zinc/26/99/31/558269931.db2.gz RRAGABYPVLWZMH-JOCHJYFZSA-N 1 1 413.562 3.386 50 0 HGAAMO O=C(NCc1ccco1)[C@@H]1CCC[N@@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC000011816659 558280017 /nfs/dbraw/zinc/28/00/17/558280017.db2.gz YRHDHHNMVDMXQF-OAQYLSRUSA-N 1 1 407.558 3.240 50 0 HGAAMO O=C(NCc1ccco1)[C@@H]1CCC[N@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC000011816659 558280022 /nfs/dbraw/zinc/28/00/22/558280022.db2.gz YRHDHHNMVDMXQF-OAQYLSRUSA-N 1 1 407.558 3.240 50 0 HGAAMO Cc1occc1C(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NCc3ccccc3)C2)CC1 ZINC000011817417 558280703 /nfs/dbraw/zinc/28/07/03/558280703.db2.gz USDHZMJNAMCBAN-FQEVSTJZSA-N 1 1 409.530 3.221 50 0 HGAAMO O=C([C@@H]1CO[C@H]2C=CC=C[C@@H]2O1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019897274 558303735 /nfs/dbraw/zinc/30/37/35/558303735.db2.gz IDWULGNULPQONK-HJOGWXRNSA-N 1 1 416.521 3.199 50 0 HGAAMO CC(C)C(=O)N[C@@H](C)c1nnc2n1CC[N@H+](Cc1cnc(-c3ccccc3)s1)CC2 ZINC000012034716 558311690 /nfs/dbraw/zinc/31/16/90/558311690.db2.gz IHLVIRNPCJHOPQ-INIZCTEOSA-N 1 1 424.574 3.293 50 0 HGAAMO O=C(CCC(=O)NC1CCCCCCCCCCC1)NCCC[NH+]1CCOCC1 ZINC000020169304 558343427 /nfs/dbraw/zinc/34/34/27/558343427.db2.gz ORYXLKLLXSQBMV-UHFFFAOYSA-N 1 1 409.615 3.395 50 0 HGAAMO CCN1CC[NH+](CCOCCOc2c(C)cc(Br)cc2Cl)CC1 ZINC000020406247 558360215 /nfs/dbraw/zinc/36/02/15/558360215.db2.gz JYRFYQLLYDBJJH-UHFFFAOYSA-N 1 1 405.764 3.444 50 0 HGAAMO O[C@@H](CSc1ccccc1)C[NH+]1CCN(c2nc(-c3ccccc3)ns2)CC1 ZINC000020421476 558361967 /nfs/dbraw/zinc/36/19/67/558361967.db2.gz NWVASIXZJPIPAF-GOSISDBHSA-N 1 1 412.584 3.480 50 0 HGAAMO Cc1ccccc1C[N@@H+]1CCc2nnc([C@H](C)NC(=O)CCc3ccccc3)n2CC1 ZINC000020454109 558368052 /nfs/dbraw/zinc/36/80/52/558368052.db2.gz MICGVKJMPMJJPE-FQEVSTJZSA-N 1 1 417.557 3.455 50 0 HGAAMO CC(C)Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)CN(C)Cc3cccnc3)C2)cc1 ZINC000012298762 558368736 /nfs/dbraw/zinc/36/87/36/558368736.db2.gz QYLDHOQFEWOSEW-XMMPIXPASA-N 1 1 408.590 3.493 50 0 HGAAMO Cc1[nH+]ccn1CCC(=O)N1CCC(n2nccc2NC(=O)c2ccccc2C)CC1 ZINC000012316194 558379618 /nfs/dbraw/zinc/37/96/18/558379618.db2.gz BIGJMTJDDWMKJW-UHFFFAOYSA-N 1 1 420.517 3.203 50 0 HGAAMO O=C(CC[C@H]1CCC[N@@H+](CCCn2cccn2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000012386038 558394742 /nfs/dbraw/zinc/39/47/42/558394742.db2.gz OVGYMZPLVPTRBU-XMMPIXPASA-N 1 1 423.605 3.110 50 0 HGAAMO CCn1cc(CNCc2cccc(OC[C@H](O)C[N@H+](C)C3CCCCC3)c2)cn1 ZINC000012431382 558406030 /nfs/dbraw/zinc/40/60/30/558406030.db2.gz YLDGXUBGDVFKKZ-JOCHJYFZSA-N 1 1 400.567 3.197 50 0 HGAAMO CCn1cc(CNCc2cccc(OC[C@H](O)C[N@@H+](C)C3CCCCC3)c2)cn1 ZINC000012431382 558406033 /nfs/dbraw/zinc/40/60/33/558406033.db2.gz YLDGXUBGDVFKKZ-JOCHJYFZSA-N 1 1 400.567 3.197 50 0 HGAAMO C[NH+](C)CCN(C[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)c1cscn1 ZINC000012441699 558412329 /nfs/dbraw/zinc/41/23/29/558412329.db2.gz DHBAUQQQEMQLKY-QGZVFWFLSA-N 1 1 404.555 3.198 50 0 HGAAMO CC(C)Cc1ccc(C[N@@H+]2CCc3nnc(CNC(=O)c4ccccc4)n3CC2)cc1 ZINC000020783683 558413208 /nfs/dbraw/zinc/41/32/08/558413208.db2.gz PGEAUSGMELZTFN-UHFFFAOYSA-N 1 1 417.557 3.465 50 0 HGAAMO COc1ccccc1CCN1CCC[C@@H](C[N@H+](C)Cc2ccc(OCCO)cc2)C1 ZINC000012507414 558423914 /nfs/dbraw/zinc/42/39/14/558423914.db2.gz JNHNCCGROFQABS-QFIPXVFZSA-N 1 1 412.574 3.453 50 0 HGAAMO COc1ccccc1CCN1CCC[C@@H](C[N@@H+](C)Cc2ccc(OCCO)cc2)C1 ZINC000012507414 558423916 /nfs/dbraw/zinc/42/39/16/558423916.db2.gz JNHNCCGROFQABS-QFIPXVFZSA-N 1 1 412.574 3.453 50 0 HGAAMO COc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)Cc2ccc(OCCO)cc2)C1 ZINC000012507414 558423918 /nfs/dbraw/zinc/42/39/18/558423918.db2.gz JNHNCCGROFQABS-QFIPXVFZSA-N 1 1 412.574 3.453 50 0 HGAAMO COc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)Cc2ccc(OCCO)cc2)C1 ZINC000012507414 558423920 /nfs/dbraw/zinc/42/39/20/558423920.db2.gz JNHNCCGROFQABS-QFIPXVFZSA-N 1 1 412.574 3.453 50 0 HGAAMO O=C(c1nc2sccn2c1C[NH2+][C@H](Cn1cccn1)c1ccccc1)N1CCCC1 ZINC000020996183 558426741 /nfs/dbraw/zinc/42/67/41/558426741.db2.gz CRAKPNKPEPFWQM-GOSISDBHSA-N 1 1 420.542 3.359 50 0 HGAAMO CCN(Cc1cnn(C)c1)Cc1ccccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012576892 558431287 /nfs/dbraw/zinc/43/12/87/558431287.db2.gz XZFAXBGQDITLNB-QHCPKHFHSA-N 1 1 414.594 3.446 50 0 HGAAMO Cc1nn(C)cc1CN(C)Cc1cccc(OC[C@@H](O)C[N@@H+](C)C2CCCCC2)c1 ZINC000012583302 558433419 /nfs/dbraw/zinc/43/34/19/558433419.db2.gz HHKZLKKJFGKLDV-QHCPKHFHSA-N 1 1 414.594 3.365 50 0 HGAAMO [NH2+]=C1Nc2nc3cc4c(cc3n2[C@@H](c2cccc(Br)c2)N1)OCCCO4 ZINC000012630162 558441613 /nfs/dbraw/zinc/44/16/13/558441613.db2.gz PCTKVFPJHVUVNW-INIZCTEOSA-N 1 1 414.263 3.056 50 0 HGAAMO Cc1c(CNC(=O)C2([N@@H+](C)CCc3ccccc3)Cc3ccccc3C2)cnn1C ZINC000012701215 558447697 /nfs/dbraw/zinc/44/76/97/558447697.db2.gz OUPOEURPUOTBIB-UHFFFAOYSA-N 1 1 402.542 3.057 50 0 HGAAMO CN(C(=O)C1CC[NH+](C2CCN(CCCc3ccccc3)CC2)CC1)[C@@H]1CCOC1 ZINC000012703346 558448465 /nfs/dbraw/zinc/44/84/65/558448465.db2.gz MJUHZDHRHGVFLM-XMMPIXPASA-N 1 1 413.606 3.043 50 0 HGAAMO CN(C(=O)C1CCN(C2CC[NH+](CCCc3ccccc3)CC2)CC1)[C@@H]1CCOC1 ZINC000012703346 558448468 /nfs/dbraw/zinc/44/84/68/558448468.db2.gz MJUHZDHRHGVFLM-XMMPIXPASA-N 1 1 413.606 3.043 50 0 HGAAMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cnc2c(cnn2Cc2ccccc2)c1 ZINC000012789135 558464530 /nfs/dbraw/zinc/46/45/30/558464530.db2.gz XJVOGKMTXGPHAM-QHCPKHFHSA-N 1 1 411.509 3.484 50 0 HGAAMO CCOC(=O)N1CCC(C(=O)Nc2nc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cs2)CC1 ZINC000022293460 558476801 /nfs/dbraw/zinc/47/68/01/558476801.db2.gz PIBGNJNPMFXVMC-HUUCEWRRSA-N 1 1 408.568 3.428 50 0 HGAAMO C[C@@H]1C[C@H](C)C[N@@H+](Cc2csc(NC(=O)Cn3c(=O)oc4ccccc43)n2)C1 ZINC000022293217 558476814 /nfs/dbraw/zinc/47/68/14/558476814.db2.gz LURTXBSWKGVKQL-OKILXGFUSA-N 1 1 400.504 3.168 50 0 HGAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2csc(NC(=O)Cn3c(=O)oc4ccccc43)n2)C1 ZINC000022293217 558476816 /nfs/dbraw/zinc/47/68/16/558476816.db2.gz LURTXBSWKGVKQL-OKILXGFUSA-N 1 1 400.504 3.168 50 0 HGAAMO C[C@H]1C[C@H](C)C[NH+](Cc2csc(NC(=O)CCNC(=O)c3ccccc3)n2)C1 ZINC000022292763 558476822 /nfs/dbraw/zinc/47/68/22/558476822.db2.gz JJTZYKKOBJZXOW-HOTGVXAUSA-N 1 1 400.548 3.380 50 0 HGAAMO C[C@@H]1C[C@@H](C)C[NH+](Cc2csc(NC(=O)c3ccc(N4CCOCC4)nc3)n2)C1 ZINC000022296757 558477041 /nfs/dbraw/zinc/47/70/41/558477041.db2.gz FBXXHBVNUYDIFB-HZPDHXFCSA-N 1 1 415.563 3.105 50 0 HGAAMO C[C@@H]1C[C@H](C)C[N@@H+](Cc2csc(NC(=O)CCNC(=O)Cc3ccccc3)n2)C1 ZINC000022296906 558477097 /nfs/dbraw/zinc/47/70/97/558477097.db2.gz XULCDMNTADFIOL-CALCHBBNSA-N 1 1 414.575 3.309 50 0 HGAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2csc(NC(=O)CCNC(=O)Cc3ccccc3)n2)C1 ZINC000022296906 558477098 /nfs/dbraw/zinc/47/70/98/558477098.db2.gz XULCDMNTADFIOL-CALCHBBNSA-N 1 1 414.575 3.309 50 0 HGAAMO CCC(CC)[C@@H](CNC(=O)c1c[nH]c(=S)n1-c1ccccc1)[NH+]1CCOCC1 ZINC000022898987 558519196 /nfs/dbraw/zinc/51/91/96/558519196.db2.gz OTXBWYZHUGLUEH-GOSISDBHSA-N 1 1 402.564 3.402 50 0 HGAAMO CC(C)C[C@@H](CNC(=O)c1cnn(Cc2ccccc2Cl)c1)[NH+]1CCOCC1 ZINC000022970626 558528526 /nfs/dbraw/zinc/52/85/26/558528526.db2.gz QHFYSNYEEIWKFE-IBGZPJMESA-N 1 1 404.942 3.062 50 0 HGAAMO Cc1ccccc1C[N@@H+]1CCc2nnc([C@@H](NC(=O)c3ccoc3)C(C)C)n2CC1 ZINC000023129452 558536966 /nfs/dbraw/zinc/53/69/66/558536966.db2.gz VYVORLDWTSMXCF-NRFANRHFSA-N 1 1 407.518 3.365 50 0 HGAAMO CCCn1cc(CN2CC[N@@H+](Cc3ccc(OC)c(C)c3C)[C@@H](CCO)C2)c(C)n1 ZINC000023358717 558551368 /nfs/dbraw/zinc/55/13/68/558551368.db2.gz GKQYUBUCWIZREF-QHCPKHFHSA-N 1 1 414.594 3.296 50 0 HGAAMO COc1ccc(C[N@H+]2CCN(Cc3cc(CC(C)C)n[nH]3)C[C@@H]2CCO)c(C)c1C ZINC000023373519 558553582 /nfs/dbraw/zinc/55/35/82/558553582.db2.gz WLKIKMBLCSUMDZ-QHCPKHFHSA-N 1 1 414.594 3.302 50 0 HGAAMO COc1ccc(C[N@@H+]2CCN(Cc3cc(CC(C)C)[nH]n3)C[C@@H]2CCO)c(C)c1C ZINC000023373519 558553588 /nfs/dbraw/zinc/55/35/88/558553588.db2.gz WLKIKMBLCSUMDZ-QHCPKHFHSA-N 1 1 414.594 3.302 50 0 HGAAMO COc1ccc(C[N@H+]2CCN(Cc3cc(CC(C)C)[nH]n3)C[C@@H]2CCO)c(C)c1C ZINC000023373519 558553589 /nfs/dbraw/zinc/55/35/89/558553589.db2.gz WLKIKMBLCSUMDZ-QHCPKHFHSA-N 1 1 414.594 3.302 50 0 HGAAMO Cc1cccc(CN2CC[N@H+](Cc3ccc(Oc4ncccn4)cc3)C[C@@H]2CCO)n1 ZINC000023373511 558553721 /nfs/dbraw/zinc/55/37/21/558553721.db2.gz OXSCMNARHQHNBL-QFIPXVFZSA-N 1 1 419.529 3.041 50 0 HGAAMO Cc1cccc(CN2CC[N@@H+](Cc3ccc(Oc4ncccn4)cc3)C[C@@H]2CCO)n1 ZINC000023373511 558553722 /nfs/dbraw/zinc/55/37/22/558553722.db2.gz OXSCMNARHQHNBL-QFIPXVFZSA-N 1 1 419.529 3.041 50 0 HGAAMO Cc1cccc(C[N@@H+]2CCN(Cc3ccc(Oc4ncccn4)cc3)C[C@@H]2CCO)n1 ZINC000023373511 558553724 /nfs/dbraw/zinc/55/37/24/558553724.db2.gz OXSCMNARHQHNBL-QFIPXVFZSA-N 1 1 419.529 3.041 50 0 HGAAMO Cc1cccc(C[N@H+]2CCN(Cc3ccc(Oc4ncccn4)cc3)C[C@@H]2CCO)n1 ZINC000023373511 558553726 /nfs/dbraw/zinc/55/37/26/558553726.db2.gz OXSCMNARHQHNBL-QFIPXVFZSA-N 1 1 419.529 3.041 50 0 HGAAMO Cc1c2ccccc2oc1C(=O)Nc1ccccc1C(=O)NCCC[NH+]1CCOCC1 ZINC000023873287 558579180 /nfs/dbraw/zinc/57/91/80/558579180.db2.gz SHSDRYIVMIVFCG-UHFFFAOYSA-N 1 1 421.497 3.446 50 0 HGAAMO COc1ccc(OC)c([C@H]2CCC[N@@H+]2[C@@H](C(=O)N2CCOCC2)c2ccccc2)c1 ZINC000014066625 558616661 /nfs/dbraw/zinc/61/66/61/558616661.db2.gz AMTVJXRHFUKFRC-FYYLOGMGSA-N 1 1 410.514 3.441 50 0 HGAAMO COc1ccc(OC)c([C@H]2CCC[N@H+]2[C@@H](C(=O)N2CCOCC2)c2ccccc2)c1 ZINC000014066625 558616664 /nfs/dbraw/zinc/61/66/64/558616664.db2.gz AMTVJXRHFUKFRC-FYYLOGMGSA-N 1 1 410.514 3.441 50 0 HGAAMO CCOC(=O)[C@@H](c1ccc(Cl)cc1)N1CC[NH+](C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000025225674 558635088 /nfs/dbraw/zinc/63/50/88/558635088.db2.gz MSRZXJQDVOYUCA-NHCUHLMSSA-N 1 1 420.912 3.435 50 0 HGAAMO O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCC[N@H+](C2CSCCSC2)C1 ZINC000014960639 558683830 /nfs/dbraw/zinc/68/38/30/558683830.db2.gz REAILMZJOYCTSJ-MRXNPFEDSA-N 1 1 402.589 3.371 50 0 HGAAMO CNC(=O)NC(=O)[C@H](C)N1CC[NH+](Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000027903755 558684327 /nfs/dbraw/zinc/68/43/27/558684327.db2.gz HZXIDJPSKBDFOC-AWEZNQCLSA-N 1 1 420.966 3.030 50 0 HGAAMO Cc1ccc(Cc2cnc(NC(=O)NC[C@H](C)CN3CC[NH+](C)CC3)s2)cc1 ZINC000072274560 558699803 /nfs/dbraw/zinc/69/98/03/558699803.db2.gz DQVNGNMPENKOCZ-KRWDZBQOSA-N 1 1 401.580 3.047 50 0 HGAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000029838250 558722060 /nfs/dbraw/zinc/72/20/60/558722060.db2.gz MRHBRWOVQMYAAB-IBGZPJMESA-N 1 1 411.933 3.258 50 0 HGAAMO Cn1ccc(C(=O)N2CC[NH+](Cc3ccc(-c4cccc(F)c4)s3)CC2)cc1=O ZINC000030181077 558727755 /nfs/dbraw/zinc/72/77/55/558727755.db2.gz AMUYQSZQBMNBMW-UHFFFAOYSA-N 1 1 411.502 3.211 50 0 HGAAMO CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000015481070 558740979 /nfs/dbraw/zinc/74/09/79/558740979.db2.gz LZEWOXNBEDJCJU-GFCCVEGCSA-N 1 1 408.296 3.375 50 0 HGAAMO CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000015481070 558740982 /nfs/dbraw/zinc/74/09/82/558740982.db2.gz LZEWOXNBEDJCJU-GFCCVEGCSA-N 1 1 408.296 3.375 50 0 HGAAMO COc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](C(=O)NCCC(C)C)C3)n2)cc1OC ZINC000015726093 558750759 /nfs/dbraw/zinc/75/07/59/558750759.db2.gz UCSHNHTXWQDSLZ-QGZVFWFLSA-N 1 1 416.522 3.128 50 0 HGAAMO COc1ccc(-c2noc(C[N@H+]3CCC[C@@H](C(=O)NCCC(C)C)C3)n2)cc1OC ZINC000015726093 558750763 /nfs/dbraw/zinc/75/07/63/558750763.db2.gz UCSHNHTXWQDSLZ-QGZVFWFLSA-N 1 1 416.522 3.128 50 0 HGAAMO Cc1[nH+]ccn1-c1cc(NCCNC(=O)Nc2cccc(C(F)(F)F)c2)ncn1 ZINC000035598193 558793918 /nfs/dbraw/zinc/79/39/18/558793918.db2.gz ZQGMEUBHSFADLT-UHFFFAOYSA-N 1 1 405.384 3.223 50 0 HGAAMO O=C(c1ccccc1OCCOc1ccccc1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000032987921 558807905 /nfs/dbraw/zinc/80/79/05/558807905.db2.gz FKJYNPOCOFATIL-NRFANRHFSA-N 1 1 410.514 3.081 50 0 HGAAMO Cc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)[C@]21N=C(Nc2ccccc2)NC(=[NH2+])N1 ZINC000019326864 558868025 /nfs/dbraw/zinc/86/80/25/558868025.db2.gz GJBCCQHRICACIC-LFVRLGFBSA-N 1 1 402.502 3.166 50 0 HGAAMO CCc1ccc(C[N@H+](C)Cc2c(C(=O)N3CCOCC3)nc3c(C)cccn23)cc1 ZINC000055073276 558871424 /nfs/dbraw/zinc/87/14/24/558871424.db2.gz SKYWFGDJEMEXFG-UHFFFAOYSA-N 1 1 406.530 3.310 50 0 HGAAMO CCc1ccc(C[N@@H+](C)Cc2c(C(=O)N3CCOCC3)nc3c(C)cccn23)cc1 ZINC000055073276 558871428 /nfs/dbraw/zinc/87/14/28/558871428.db2.gz SKYWFGDJEMEXFG-UHFFFAOYSA-N 1 1 406.530 3.310 50 0 HGAAMO COc1ccc(C(=O)N2CCC[C@H]([NH+]3CCN(c4ccccc4OC)CC3)C2)cc1C ZINC000055182635 558875048 /nfs/dbraw/zinc/87/50/48/558875048.db2.gz LHUMSGCFKZVANR-NRFANRHFSA-N 1 1 423.557 3.439 50 0 HGAAMO C[N@H+]1CCCN(c2ccc(CNC(=O)c3csc(Cc4ccccc4)n3)cn2)CC1 ZINC000058101213 558898900 /nfs/dbraw/zinc/89/89/00/558898900.db2.gz WVMASOCVFXUYHL-UHFFFAOYSA-N 1 1 421.570 3.201 50 0 HGAAMO COc1cn(-c2ccccc2)nc1C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000058158885 558904226 /nfs/dbraw/zinc/90/42/26/558904226.db2.gz TWLCJDXGEBWQMF-SFHVURJKSA-N 1 1 420.513 3.032 50 0 HGAAMO COc1cn(-c2ccccc2)nc1C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000058158885 558904229 /nfs/dbraw/zinc/90/42/29/558904229.db2.gz TWLCJDXGEBWQMF-SFHVURJKSA-N 1 1 420.513 3.032 50 0 HGAAMO Cc1c[nH]c(CN(C)C(=O)[C@@H]2CCC[N@H+](C3CCN(CCc4ccccc4)CC3)C2)n1 ZINC000071663082 558906415 /nfs/dbraw/zinc/90/64/15/558906415.db2.gz NRHMLMBVMRUSOF-JOCHJYFZSA-N 1 1 423.605 3.096 50 0 HGAAMO CCC(CC)[C@H](CNC(=O)NCc1ccc(C[NH+](CC)CC)cc1)N1CCOCC1 ZINC000058175483 558909450 /nfs/dbraw/zinc/90/94/50/558909450.db2.gz XHQKGUSRVDUFFO-QHCPKHFHSA-N 1 1 418.626 3.465 50 0 HGAAMO CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000058316740 558919456 /nfs/dbraw/zinc/91/94/56/558919456.db2.gz YIIGAGAETZOJJK-ZWOKBUDYSA-N 1 1 406.546 3.030 50 0 HGAAMO COCC[N@@H+](C)C[C@H]1CCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000058364966 558922228 /nfs/dbraw/zinc/92/22/28/558922228.db2.gz HAQDVWBPEJDALO-GFCCVEGCSA-N 1 1 415.770 3.378 50 0 HGAAMO Cc1cccn2cc(CC(=O)NCc3ccccc3C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)nc12 ZINC000058405642 558924366 /nfs/dbraw/zinc/92/43/66/558924366.db2.gz SKLQQRBFSIIFSX-KDURUIRLSA-N 1 1 406.530 3.111 50 0 HGAAMO Cc1cccn2cc(CC(=O)NCc3ccccc3C[N@H+]3C[C@@H](C)O[C@@H](C)C3)nc12 ZINC000058405642 558924368 /nfs/dbraw/zinc/92/43/68/558924368.db2.gz SKLQQRBFSIIFSX-KDURUIRLSA-N 1 1 406.530 3.111 50 0 HGAAMO CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000058459195 558927954 /nfs/dbraw/zinc/92/79/54/558927954.db2.gz VNYSFDIFIYTAOW-FQEVSTJZSA-N 1 1 419.566 3.074 50 0 HGAAMO Cc1nc(C)c(C(=O)N2CCC[C@@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2)s1 ZINC000059299995 558933614 /nfs/dbraw/zinc/93/36/14/558933614.db2.gz ATJATNGHXCICLI-LJQANCHMSA-N 1 1 402.539 3.326 50 0 HGAAMO COc1ccc(Cl)cc1NC(=O)COc1coc(C[NH+]2CCCCC2)cc1=O ZINC000072401045 558935468 /nfs/dbraw/zinc/93/54/68/558935468.db2.gz LPFFQBYNCIYEQD-UHFFFAOYSA-N 1 1 406.866 3.305 50 0 HGAAMO C[N@@H+](CCNC(=O)c1nnc(C(=O)Nc2cccc(Cl)c2)s1)C1CCCCC1 ZINC000033060362 558954934 /nfs/dbraw/zinc/95/49/34/558954934.db2.gz VITFMMZZFHVOAQ-UHFFFAOYSA-N 1 1 421.954 3.438 50 0 HGAAMO COc1ccc(Cl)cc1C(=O)N1CCN(c2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC000072437157 558980501 /nfs/dbraw/zinc/98/05/01/558980501.db2.gz BPRIQWBZOFDNDK-UHFFFAOYSA-N 1 1 415.925 3.091 50 0 HGAAMO CSc1cccc(NC(=O)N2CCN(c3cc(-n4ccnc4)nc(C)[nH+]3)CC2)c1 ZINC000067621723 558989651 /nfs/dbraw/zinc/98/96/51/558989651.db2.gz XZXNBEYOBBGHFJ-UHFFFAOYSA-N 1 1 409.519 3.047 50 0 HGAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(CN2CCC(Cc3ccccc3)CC2)on1 ZINC000067883933 558994461 /nfs/dbraw/zinc/99/44/61/558994461.db2.gz OUEXXMSONYIILR-NRFANRHFSA-N 1 1 410.562 3.343 50 0 HGAAMO C[N@@H+](CCN1CC2(CCN(C(=O)[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)OC1=O)C1CCCCC1 ZINC000077285649 559000276 /nfs/dbraw/zinc/00/02/76/559000276.db2.gz MKPSHSSFGARVRN-DYXWJJEUSA-N 1 1 415.578 3.277 50 0 HGAAMO Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+](C3CCN(Cc4ccncc4)CC3)C2)cc1 ZINC000082096597 559037357 /nfs/dbraw/zinc/03/73/57/559037357.db2.gz QEQPRLLDVFJZPS-HSZRJFAPSA-N 1 1 406.574 3.383 50 0 HGAAMO O=C(NCc1cccnc1)[C@H]1CCC[N@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000082100080 559038140 /nfs/dbraw/zinc/03/81/40/559038140.db2.gz TWJIYHPHJFSBFM-QHCPKHFHSA-N 1 1 406.574 3.117 50 0 HGAAMO O=C(NCc1cccnc1)[C@H]1CCC[N@H+](C2CCN(Cc3ccccc3F)CC2)C1 ZINC000082120655 559039365 /nfs/dbraw/zinc/03/93/65/559039365.db2.gz FNUZXQOZMYEOFX-NRFANRHFSA-N 1 1 410.537 3.214 50 0 HGAAMO Cc1ccc(CN(C)C(=O)[C@H]2CCC[N@H+](C3CCN(Cc4ccncc4)CC3)C2)o1 ZINC000082138664 559040720 /nfs/dbraw/zinc/04/07/20/559040720.db2.gz QWMCWVOJHYOFPB-NRFANRHFSA-N 1 1 410.562 3.318 50 0 HGAAMO CN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000082166725 559042027 /nfs/dbraw/zinc/04/20/27/559042027.db2.gz YFFBXGIVXPAUAC-HSZRJFAPSA-N 1 1 406.574 3.417 50 0 HGAAMO Cc1cc(C(=O)N(CC[NH+](C)C)C[C@H]2CCCN(Cc3ccccc3F)C2)on1 ZINC000095507475 559083287 /nfs/dbraw/zinc/08/32/87/559083287.db2.gz IYMWGVUPDXMJEZ-SFHVURJKSA-N 1 1 402.514 3.038 50 0 HGAAMO Cc1ccc(C[NH+]2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)c(F)c1F ZINC000095510550 559083792 /nfs/dbraw/zinc/08/37/92/559083792.db2.gz GRBMQIQIHLBPPQ-UHFFFAOYSA-N 1 1 400.473 3.282 50 0 HGAAMO COc1ccccc1CCC(=O)Nc1ccc2c(c1)CN(c1cc[nH+]c(N)n1)CC2 ZINC000095525649 559086005 /nfs/dbraw/zinc/08/60/05/559086005.db2.gz SHFPSENBUNDUSE-UHFFFAOYSA-N 1 1 403.486 3.201 50 0 HGAAMO CC(C)OC(=O)N1CCC(CCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000095528414 559086508 /nfs/dbraw/zinc/08/65/08/559086508.db2.gz GVLHFUKGWLVCSD-OAQYLSRUSA-N 1 1 401.551 3.414 50 0 HGAAMO Cn1c(C(=O)NCCC[N@@H+](C)Cc2ccccc2)cc2c1c1ccccc1n(C)c2=O ZINC000004938751 559211634 /nfs/dbraw/zinc/21/16/34/559211634.db2.gz OHOYRZUOLABBDS-UHFFFAOYSA-N 1 1 416.525 3.282 50 0 HGAAMO C[N@@H+](C1CCCC1)C1CCN(C(=O)CNC(=O)/C=C/c2ccc(Cl)cc2)CC1 ZINC000005057801 559238125 /nfs/dbraw/zinc/23/81/25/559238125.db2.gz IYUBFBZARHCPQG-DHZHZOJOSA-N 1 1 403.954 3.335 50 0 HGAAMO COc1ccc(CNCc2ccccc2Cl)cc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000011719446 559255009 /nfs/dbraw/zinc/25/50/09/559255009.db2.gz VHPCEYCVORTWAQ-IBGZPJMESA-N 1 1 404.938 3.474 50 0 HGAAMO COCC(=O)N[C@@H](C)[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccc(C)cc1 ZINC000103051874 560837049 /nfs/dbraw/zinc/83/70/49/560837049.db2.gz NWAPJTJVQBKXCT-XDHUDOTRSA-N 1 1 412.530 3.263 50 0 HGAAMO COCC(=O)N[C@@H](C)[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccc(C)cc1 ZINC000103051874 560837051 /nfs/dbraw/zinc/83/70/51/560837051.db2.gz NWAPJTJVQBKXCT-XDHUDOTRSA-N 1 1 412.530 3.263 50 0 HGAAMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)CCCn2nnc(-c3ccccc3)n2)C1 ZINC000106759075 560893713 /nfs/dbraw/zinc/89/37/13/560893713.db2.gz QFUNEIXGZALZOI-WIYYLYMNSA-N 1 1 404.518 3.072 50 0 HGAAMO CCN([C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc2c(c1)C(=O)OC2 ZINC000048235342 568432839 /nfs/dbraw/zinc/43/28/39/568432839.db2.gz ZRNZAWGGLVDCSL-LPHOPBHVSA-N 1 1 414.527 3.203 50 0 HGAAMO CCN1CC[NH+](Cc2ccc(CNC(=O)CCCc3nc4ccccc4[nH]3)cc2)CC1 ZINC000048324845 568438470 /nfs/dbraw/zinc/43/84/70/568438470.db2.gz XCTFYXCSPKGOOG-UHFFFAOYSA-N 1 1 419.573 3.340 50 0 HGAAMO O=C(NC1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1)c1ccc(F)cc1 ZINC000048312554 568438978 /nfs/dbraw/zinc/43/89/78/568438978.db2.gz JDOKJBNDOMVHDV-OAQYLSRUSA-N 1 1 423.532 3.459 50 0 HGAAMO Cc1ccc(NC(=O)Cn2c(C)nc3c(c2=O)C[N@@H+](Cc2ccccc2)CC3)cc1C ZINC000049400761 568447672 /nfs/dbraw/zinc/44/76/72/568447672.db2.gz QYTBBSYZRUMMQF-UHFFFAOYSA-N 1 1 416.525 3.366 50 0 HGAAMO CN(Cc1cnc(S(=O)(=O)CC2CC2)n1CC1CCCCC1)C[C@H]1CCC[N@H+]1C ZINC000019939620 568585960 /nfs/dbraw/zinc/58/59/60/568585960.db2.gz NHXDBAMXTZLTOO-HXUWFJFHSA-N 1 1 422.639 3.173 50 0 HGAAMO CC[NH+]1CCN([C@H](c2cccs2)[C@H](C)NC(=O)c2ccc(N(C)C)cc2)CC1 ZINC000020288186 568597485 /nfs/dbraw/zinc/59/74/85/568597485.db2.gz SSSXZWJNTZOQTN-UWJYYQICSA-N 1 1 400.592 3.311 50 0 HGAAMO Cc1cc(C)nc(Nc2cccc(C(=O)N3CC[NH+](CCc4ccncc4)CC3)c2)n1 ZINC000095479017 568632208 /nfs/dbraw/zinc/63/22/08/568632208.db2.gz FCPAWLDFTCCIEW-UHFFFAOYSA-N 1 1 416.529 3.233 50 0 HGAAMO COC(=O)CC[N@@H+](CC1CCN(C(=O)OCc2ccccc2)CC1)C1CCOCC1 ZINC000225425047 568636912 /nfs/dbraw/zinc/63/69/12/568636912.db2.gz JVACHCADXONGGX-UHFFFAOYSA-N 1 1 418.534 3.079 50 0 HGAAMO Cc1ccc(C(=O)NCCC[N@@H+]2CCC[C@H](C)C2)cc1NC(=O)C1=CSCCO1 ZINC000021019814 568658127 /nfs/dbraw/zinc/65/81/27/568658127.db2.gz JMOZPKQNHMJMKS-INIZCTEOSA-N 1 1 417.575 3.390 50 0 HGAAMO O=C1C[C@@H](c2nc3ccccc3n2CC[NH+]2CCOCC2)CN1c1ccccc1F ZINC000021171761 568676369 /nfs/dbraw/zinc/67/63/69/568676369.db2.gz GZUQWOYBMXUPGY-QGZVFWFLSA-N 1 1 408.477 3.028 50 0 HGAAMO COc1ccc(C2=CC[N@H+](CC(=O)NC[C@@H]3CCN(c4ccccc4)C3)CC2)cc1 ZINC000051915890 568713729 /nfs/dbraw/zinc/71/37/29/568713729.db2.gz JNHZELAZKJPERL-FQEVSTJZSA-N 1 1 405.542 3.427 50 0 HGAAMO COc1ccc(C2=CC[N@@H+](CC(=O)NC[C@@H]3CCN(c4ccccc4)C3)CC2)cc1 ZINC000051915890 568713732 /nfs/dbraw/zinc/71/37/32/568713732.db2.gz JNHZELAZKJPERL-FQEVSTJZSA-N 1 1 405.542 3.427 50 0 HGAAMO O=C(NCC[N@@H+]1CCC[C@@H](O)C1)c1ccc2nc(Cc3cccc(Cl)c3)oc2c1 ZINC000012429253 568722091 /nfs/dbraw/zinc/72/20/91/568722091.db2.gz XWSLLGYHWQVGSW-GOSISDBHSA-N 1 1 413.905 3.259 50 0 HGAAMO COc1ccc(-c2n[nH]cc2C(=O)N(C)C[C@H]2CCC[N@H+]3CCCC[C@H]23)cc1OC ZINC000299754483 568782238 /nfs/dbraw/zinc/78/22/38/568782238.db2.gz WCNHTZWYBUIBRT-IEBWSBKVSA-N 1 1 412.534 3.430 50 0 biogenic HGAAMO CCOc1ccccc1[C@@H]1NC(=O)NC(C[N@H+](CC)Cc2ccccc2)=C1C(=O)OC ZINC000057415676 568834017 /nfs/dbraw/zinc/83/40/17/568834017.db2.gz MFZMAPJGDZWLLK-QFIPXVFZSA-N 1 1 423.513 3.388 50 0 HGAAMO CCOc1ccccc1[C@@H]1NC(=O)NC(C[N@@H+](CC)Cc2ccccc2)=C1C(=O)OC ZINC000057415676 568834019 /nfs/dbraw/zinc/83/40/19/568834019.db2.gz MFZMAPJGDZWLLK-QFIPXVFZSA-N 1 1 423.513 3.388 50 0 HGAAMO CCOc1ccccc1[C@@H]1NC(=O)N=C(C[N@H+](CC)Cc2ccccc2)C1C(=O)OC ZINC000057415676 568834025 /nfs/dbraw/zinc/83/40/25/568834025.db2.gz MFZMAPJGDZWLLK-QFIPXVFZSA-N 1 1 423.513 3.388 50 0 HGAAMO CCOc1ccccc1[C@@H]1NC(=O)N=C(C[N@@H+](CC)Cc2ccccc2)C1C(=O)OC ZINC000057415676 568834027 /nfs/dbraw/zinc/83/40/27/568834027.db2.gz MFZMAPJGDZWLLK-QFIPXVFZSA-N 1 1 423.513 3.388 50 0 HGAAMO O=S(=O)(N[C@H]1CCCC[C@H]1[NH+]1CCN(c2ccc(F)cc2)CC1)c1ccccc1 ZINC000058085794 568884077 /nfs/dbraw/zinc/88/40/77/568884077.db2.gz QVGHQOZTHWBEMR-FCHUYYIVSA-N 1 1 417.550 3.237 50 0 HGAAMO O=S(=O)(N[C@@H]1CCCC[C@H]1[NH+]1CCN(c2ccccc2F)CC1)c1ccccc1 ZINC000058085813 568884085 /nfs/dbraw/zinc/88/40/85/568884085.db2.gz DOPYBUKPRYMXNB-IFMALSPDSA-N 1 1 417.550 3.237 50 0 HGAAMO CN1CCC([N@H+](C)C[C@H](NC(=O)NCCc2cccs2)c2ccccc2)CC1 ZINC000058438140 568918830 /nfs/dbraw/zinc/91/88/30/568918830.db2.gz SUGRCMSOTFJOOJ-NRFANRHFSA-N 1 1 400.592 3.357 50 0 HGAAMO CN1CCC([N@@H+](C)C[C@H](NC(=O)NCCc2cccs2)c2ccccc2)CC1 ZINC000058438140 568918833 /nfs/dbraw/zinc/91/88/33/568918833.db2.gz SUGRCMSOTFJOOJ-NRFANRHFSA-N 1 1 400.592 3.357 50 0 HGAAMO COc1ccc(OC)c([C@@H](O)C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)c1 ZINC000004029245 568934342 /nfs/dbraw/zinc/93/43/42/568934342.db2.gz GREBKDKZYPDUEK-IRXDYDNUSA-N 1 1 401.459 3.094 50 0 biogenic HGAAMO COc1ccc(OC)c([C@@H](O)C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)c1 ZINC000004029245 568934344 /nfs/dbraw/zinc/93/43/44/568934344.db2.gz GREBKDKZYPDUEK-IRXDYDNUSA-N 1 1 401.459 3.094 50 0 biogenic HGAAMO CC(C)[N@@H+]1CCc2c(sc(NC(=O)c3ccc4ncsc4c3)c2C(N)=O)C1 ZINC000004088591 568941362 /nfs/dbraw/zinc/94/13/62/568941362.db2.gz RHAGMRVFEIHAPX-UHFFFAOYSA-N 1 1 400.529 3.476 50 0 HGAAMO CC(C)[N@H+]1CCc2c(sc(NC(=O)c3ccc4ncsc4c3)c2C(N)=O)C1 ZINC000004088591 568941364 /nfs/dbraw/zinc/94/13/64/568941364.db2.gz RHAGMRVFEIHAPX-UHFFFAOYSA-N 1 1 400.529 3.476 50 0 HGAAMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)nc1n(c2=O)CCCCC1 ZINC000012761153 568945474 /nfs/dbraw/zinc/94/54/74/568945474.db2.gz AEUJGJHFYZAVQR-HXUWFJFHSA-N 1 1 416.525 3.127 50 0 HGAAMO CC[C@@H](NC(=O)c1ccc2c(c1)nc(C)n2C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000084727093 568957237 /nfs/dbraw/zinc/95/72/37/568957237.db2.gz KVDNYOUQVVIMOU-NFBKMPQASA-N 1 1 406.530 3.291 50 0 HGAAMO CC[C@@H](NC(=O)c1ccc2c(c1)nc(C)n2C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000084727093 568957238 /nfs/dbraw/zinc/95/72/38/568957238.db2.gz KVDNYOUQVVIMOU-NFBKMPQASA-N 1 1 406.530 3.291 50 0 HGAAMO Cc1ccc(C(=O)NCC(=O)Nc2nc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cs2)cc1 ZINC000012783505 568959001 /nfs/dbraw/zinc/95/90/01/568959001.db2.gz RYPZKVJXHBLMLG-HOTGVXAUSA-N 1 1 400.548 3.298 50 0 HGAAMO O=C(C[NH+]1CCC(c2nc3ccccc3s2)CC1)NC[C@@H]1COc2ccccc2O1 ZINC000008076276 568972754 /nfs/dbraw/zinc/97/27/54/568972754.db2.gz ZSUPDKXRVSCOQD-QGZVFWFLSA-N 1 1 423.538 3.432 50 0 HGAAMO Cn1cnnc1Sc1ccc(CN2CCC[N@H+](C3Cc4ccccc4C3)CC2)o1 ZINC000670467143 568972967 /nfs/dbraw/zinc/97/29/67/568972967.db2.gz FRBSNXDOEIRPGA-UHFFFAOYSA-N 1 1 409.559 3.234 50 0 HGAAMO Cn1nc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)c2ccccc2c1=O ZINC000008168848 568979717 /nfs/dbraw/zinc/97/97/17/568979717.db2.gz CVAHEJDCVFHAKB-IBGZPJMESA-N 1 1 410.905 3.154 50 0 HGAAMO COc1ccc(CN2CC[N@@H+](Cc3cccc4ncccc34)C[C@H]2CCO)c(F)c1 ZINC000104398842 569008456 /nfs/dbraw/zinc/00/84/56/569008456.db2.gz YCIZPUQTUOGMNB-HXUWFJFHSA-N 1 1 409.505 3.451 50 0 HGAAMO COc1ccc(F)c(CN2CC[N@H+](Cc3ccc(OC)c(C)c3)[C@H](CCO)C2)c1 ZINC000104400416 569008590 /nfs/dbraw/zinc/00/85/90/569008590.db2.gz PILKNTGGHMJWFX-HXUWFJFHSA-N 1 1 402.510 3.220 50 0 HGAAMO COc1ccc(F)c(CN2CC[N@@H+](Cc3ccc(OC)c(C)c3)[C@H](CCO)C2)c1 ZINC000104400416 569008591 /nfs/dbraw/zinc/00/85/91/569008591.db2.gz PILKNTGGHMJWFX-HXUWFJFHSA-N 1 1 402.510 3.220 50 0 HGAAMO COc1ccc(CN2CC[N@@H+](Cc3ccc(-n4cccn4)cc3)C[C@H]2CCO)cc1C ZINC000104483849 569008769 /nfs/dbraw/zinc/00/87/69/569008769.db2.gz UEPUXPSMKRFOKD-XMMPIXPASA-N 1 1 420.557 3.258 50 0 HGAAMO COc1ccc(C[N@@H+]2CCN(Cc3ccc(-n4cccn4)cc3)C[C@H]2CCO)cc1C ZINC000104483849 569008770 /nfs/dbraw/zinc/00/87/70/569008770.db2.gz UEPUXPSMKRFOKD-XMMPIXPASA-N 1 1 420.557 3.258 50 0 HGAAMO COc1ccc(C[N@H+]2CCN(Cc3ccc(-n4cccn4)cc3)C[C@H]2CCO)cc1C ZINC000104483849 569008771 /nfs/dbraw/zinc/00/87/71/569008771.db2.gz UEPUXPSMKRFOKD-XMMPIXPASA-N 1 1 420.557 3.258 50 0 HGAAMO CCOc1ccccc1C[N@@H+]1CCN(Cc2cccn2-c2cccnc2)C[C@H]1CCO ZINC000104511942 569008844 /nfs/dbraw/zinc/00/88/44/569008844.db2.gz FJCBEZMJVXLOSR-HSZRJFAPSA-N 1 1 420.557 3.340 50 0 HGAAMO CCOc1ccccc1C[N@H+]1CCN(Cc2cccn2-c2cccnc2)C[C@H]1CCO ZINC000104511942 569008845 /nfs/dbraw/zinc/00/88/45/569008845.db2.gz FJCBEZMJVXLOSR-HSZRJFAPSA-N 1 1 420.557 3.340 50 0 HGAAMO COc1ccc(C[N@H+]2CCN(Cc3cc(C(C)C)n[nH]3)C[C@H]2CCO)c(C)c1C ZINC000104521741 569008859 /nfs/dbraw/zinc/00/88/59/569008859.db2.gz JEETWZPEWNJZQD-OAQYLSRUSA-N 1 1 400.567 3.227 50 0 HGAAMO COc1ccc(CN2CCN(Cc3cc(C(C)C)n[nH]3)C[C@H]2CCO)c(C)c1C ZINC000104521741 569008860 /nfs/dbraw/zinc/00/88/60/569008860.db2.gz JEETWZPEWNJZQD-OAQYLSRUSA-N 1 1 400.567 3.227 50 0 HGAAMO Cc1ccc(CN2CC[N@H+](C3CCN(c4ccccc4F)CC3)C[C@H]2CCO)o1 ZINC000104484026 569008966 /nfs/dbraw/zinc/00/89/66/569008966.db2.gz COQSQMNJMCDNFC-HXUWFJFHSA-N 1 1 401.526 3.265 50 0 HGAAMO COc1ccc(CN2CC[N@H+](Cc3cccc(C)n3)[C@H](CCO)C2)c(Cl)c1OC ZINC000104545369 569009084 /nfs/dbraw/zinc/00/90/84/569009084.db2.gz UORYANZXAPZQNG-LJQANCHMSA-N 1 1 419.953 3.129 50 0 HGAAMO COc1ccc(CN2CC[N@@H+](Cc3cccc(C)n3)[C@H](CCO)C2)c(Cl)c1OC ZINC000104545369 569009085 /nfs/dbraw/zinc/00/90/85/569009085.db2.gz UORYANZXAPZQNG-LJQANCHMSA-N 1 1 419.953 3.129 50 0 HGAAMO CCOc1ccc2nc(NC(=O)CSC(=S)N3CC[NH+](CC)CC3)sc2c1 ZINC000043214982 569012966 /nfs/dbraw/zinc/01/29/66/569012966.db2.gz OOCDEDKBVVPSCR-UHFFFAOYSA-N 1 1 424.617 3.289 50 0 HGAAMO O=C(Cc1csc(NC(=O)c2ccccc2)n1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012909070 569021664 /nfs/dbraw/zinc/02/16/64/569021664.db2.gz CGVWRZIYFQLRCT-LJQANCHMSA-N 1 1 420.538 3.329 50 0 HGAAMO Cc1ccc(CN(C)C(=O)C[NH+]2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000012922836 569023305 /nfs/dbraw/zinc/02/33/05/569023305.db2.gz GFGOKSIRWFRQAB-UHFFFAOYSA-N 1 1 422.525 3.320 50 0 HGAAMO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(C)cc(C)c3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000015954592 569024588 /nfs/dbraw/zinc/02/45/88/569024588.db2.gz QPVPQRVSCZMANI-UGCAPWQASA-N 1 1 415.493 3.043 50 0 biogenic HGAAMO Cc1ccc(NC(=O)Cn2c(C)nc3c(c2=O)CC[N@H+](Cc2ccccc2)C3)cc1F ZINC000035456059 569037889 /nfs/dbraw/zinc/03/78/89/569037889.db2.gz UYMOVVBWXDRVLL-UHFFFAOYSA-N 1 1 420.488 3.196 50 0 HGAAMO Cc1ccc(NC(=O)Cn2c(C)nc3c(c2=O)CC[N@@H+](Cc2ccccc2)C3)cc1F ZINC000035456059 569037890 /nfs/dbraw/zinc/03/78/90/569037890.db2.gz UYMOVVBWXDRVLL-UHFFFAOYSA-N 1 1 420.488 3.196 50 0 HGAAMO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc2c(c1)OCCO2)c1csc2ccccc21 ZINC000575621745 569038971 /nfs/dbraw/zinc/03/89/71/569038971.db2.gz SKIXOLHXJKPGJV-QGZVFWFLSA-N 1 1 418.540 3.254 50 0 HGAAMO COc1ccc(CCNC(=O)[C@H](C)[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1 ZINC000027573458 569052182 /nfs/dbraw/zinc/05/21/82/569052182.db2.gz ZATLQMOVZNBWCC-AZUAARDMSA-N 1 1 409.530 3.093 50 0 HGAAMO O=C(CN1CCC[N@@H+](CC2CCCCC2)CC1)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000054320978 569071052 /nfs/dbraw/zinc/07/10/52/569071052.db2.gz ARQLMUUOTNADFV-QHCPKHFHSA-N 1 1 412.622 3.217 50 0 HGAAMO COC[C@H](O)C[N@@H+](Cc1ccccc1F)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146550 569098772 /nfs/dbraw/zinc/09/87/72/569098772.db2.gz SOKAAQBZUXDCPM-MOPGFXCFSA-N 1 1 406.885 3.482 50 0 HGAAMO COC[C@H](O)C[N@H+](Cc1ccccc1F)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146550 569098773 /nfs/dbraw/zinc/09/87/73/569098773.db2.gz SOKAAQBZUXDCPM-MOPGFXCFSA-N 1 1 406.885 3.482 50 0 HGAAMO COC[C@H](O)C[N@H+](Cc1nc(=O)c2c(-c3cc(C)ccc3C)csc2[nH]1)C(C)C ZINC000036207099 569109506 /nfs/dbraw/zinc/10/95/06/569109506.db2.gz TWVCPAPIROLDAS-MRXNPFEDSA-N 1 1 415.559 3.486 50 0 HGAAMO COC[C@H](O)C[N@@H+](Cc1nc(=O)c2c(-c3cc(C)ccc3C)csc2[nH]1)C(C)C ZINC000036207099 569109507 /nfs/dbraw/zinc/10/95/07/569109507.db2.gz TWVCPAPIROLDAS-MRXNPFEDSA-N 1 1 415.559 3.486 50 0 HGAAMO Cc1ccc(C)c(C2=NN(C(=O)CN3CC[NH+](C)CC3)[C@H](c3cccc(F)c3)C2)c1 ZINC000036344806 569142860 /nfs/dbraw/zinc/14/28/60/569142860.db2.gz QISVWBGRPWPJSY-QHCPKHFHSA-N 1 1 408.521 3.368 50 0 HGAAMO O=C(Cc1ccccc1F)N1CCN(c2nc(C[NH+]3CCCCC3)cs2)CC1 ZINC000065200163 569193625 /nfs/dbraw/zinc/19/36/25/569193625.db2.gz WMKYZAKRMGKWQT-UHFFFAOYSA-N 1 1 402.539 3.159 50 0 HGAAMO CC[NH+]1CCN(C(=O)Cn2c(C)cc(-c3nnc(-c4ccc(F)cc4)o3)c2C)CC1 ZINC000065194948 569193895 /nfs/dbraw/zinc/19/38/95/569193895.db2.gz BYDIBHVYINQKSC-UHFFFAOYSA-N 1 1 411.481 3.125 50 0 HGAAMO COc1cccc(C[N@@H+](C)C[C@@H](O)COc2ccc(CCC(C)=O)cc2)c1OC ZINC000006998539 569196609 /nfs/dbraw/zinc/19/66/09/569196609.db2.gz HNAZGWJIKGDGMF-HXUWFJFHSA-N 1 1 401.503 3.097 50 0 HGAAMO O=C(Nc1cccc(Cn2cccnc2=O)c1)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000065564822 569234307 /nfs/dbraw/zinc/23/43/07/569234307.db2.gz IHDKZBVUGCXICE-UHFFFAOYSA-N 1 1 423.542 3.093 50 0 HGAAMO FC(F)(F)c1ccc(N2CCN(C3CC[NH+](Cc4cccnc4)CC3)CC2)nc1 ZINC000252495235 569290834 /nfs/dbraw/zinc/29/08/34/569290834.db2.gz OOCTUUSEVMLRFT-UHFFFAOYSA-N 1 1 405.468 3.282 50 0 HGAAMO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)C[NH+]1CCC(C)CC1 ZINC000002293994 569369230 /nfs/dbraw/zinc/36/92/30/569369230.db2.gz MSSDZIORMWULHV-UHFFFAOYSA-N 1 1 408.296 3.387 50 0 HGAAMO CCn1c2ccccc2n(CC(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1=O ZINC000079026691 569424909 /nfs/dbraw/zinc/42/49/09/569424909.db2.gz XVIRGQLABYFXRQ-INIZCTEOSA-N 1 1 403.486 3.194 50 0 HGAAMO CC(C)n1ncc2cc(S(=O)(=O)NC[C@H](c3ccc(F)cc3)[NH+](C)C)ccc21 ZINC000079111044 569428155 /nfs/dbraw/zinc/42/81/55/569428155.db2.gz UEHFGOQJODFKNN-HXUWFJFHSA-N 1 1 404.511 3.338 50 0 HGAAMO O=C(COc1ccc2c(c1)oc(=O)c1c2CCCC1)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000079189056 569429203 /nfs/dbraw/zinc/42/92/03/569429203.db2.gz SOZSZWOEIJUELM-HTAPYJJXSA-N 1 1 424.541 3.431 50 0 biogenic HGAAMO CCOC(=O)C1=C(C[NH+]2CCCCCC2)NC(=O)N[C@H]1c1ccccc1OCC ZINC000067286821 571064866 /nfs/dbraw/zinc/06/48/66/571064866.db2.gz HMGYCUSVVGLUCD-FQEVSTJZSA-N 1 1 401.507 3.132 50 0 HGAAMO Cc1nn(-c2ccccc2)c(C)c1CNC(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000040071911 571152484 /nfs/dbraw/zinc/15/24/84/571152484.db2.gz FKNCRAACTWPGAM-OAQYLSRUSA-N 1 1 413.566 3.035 50 0 HGAAMO COc1ccc(CNC(=S)NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000040087580 571158155 /nfs/dbraw/zinc/15/81/55/571158155.db2.gz DHMQELWHEVZHFK-HDICACEKSA-N 1 1 413.587 3.469 50 0 HGAAMO Cc1c(C(=O)N[C@H](C)C(C)C)nnn1-c1cccc2c1CC[N@H+](Cc1cccnc1)C2 ZINC000069974043 571252271 /nfs/dbraw/zinc/25/22/71/571252271.db2.gz DBOZEHYVMKIJBX-QGZVFWFLSA-N 1 1 418.545 3.303 50 0 HGAAMO Cc1c(C(=O)N[C@H](C)C(C)C)nnn1-c1cccc2c1CC[N@@H+](Cc1cccnc1)C2 ZINC000069974043 571252272 /nfs/dbraw/zinc/25/22/72/571252272.db2.gz DBOZEHYVMKIJBX-QGZVFWFLSA-N 1 1 418.545 3.303 50 0 HGAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)CCCN1C(=O)COc2ccc(C)cc21 ZINC000006751243 132314874 /nfs/dbraw/zinc/31/48/74/132314874.db2.gz GZCFCTYHVCLPKN-IBGZPJMESA-N 1 1 401.551 3.271 50 0 HGAAMO Cc1ccc2c(c1)N(CCCC(=O)NCCC[N@@H+]1[C@H](C)CCC[C@@H]1C)C(=O)CO2 ZINC000006751257 132314879 /nfs/dbraw/zinc/31/48/79/132314879.db2.gz JETPTBUZZISJSY-KDURUIRLSA-N 1 1 401.551 3.270 50 0 HGAAMO CC[N@@H+](CCCNC(=O)CCC(=O)N1CCOc2ccccc21)Cc1ccccc1 ZINC000006798513 132317213 /nfs/dbraw/zinc/31/72/13/132317213.db2.gz ZCWVVKDSRLPCTF-UHFFFAOYSA-N 1 1 409.530 3.221 50 0 HGAAMO Cc1cccc(N2CCN(C(=O)C[N@@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)CC2)c1 ZINC000010053900 132344858 /nfs/dbraw/zinc/34/48/58/132344858.db2.gz MDTFZAXPQDMGNI-QFIPXVFZSA-N 1 1 421.541 3.252 50 0 HGAAMO Cc1cccc(N2CCN(C(=O)C[N@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)CC2)c1 ZINC000010053900 132344859 /nfs/dbraw/zinc/34/48/59/132344859.db2.gz MDTFZAXPQDMGNI-QFIPXVFZSA-N 1 1 421.541 3.252 50 0 HGAAMO CN(C(=O)c1csc(NC(=O)c2ccc(Cl)cc2Cl)n1)[C@@H]1CC[N@@H+](C)C1 ZINC000040355840 523963362 /nfs/dbraw/zinc/96/33/62/523963362.db2.gz KUPQQFWWEGBLJM-LLVKDONJSA-N 1 1 413.330 3.478 50 0 HGAAMO COc1ccc(CCNC(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1OC ZINC000032824548 523968918 /nfs/dbraw/zinc/96/89/18/523968918.db2.gz IZEKTTQUGGOHAA-HDICACEKSA-N 1 1 412.530 3.286 50 0 HGAAMO COc1ccc(CCNC(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1OC ZINC000032824548 523968921 /nfs/dbraw/zinc/96/89/21/523968921.db2.gz IZEKTTQUGGOHAA-HDICACEKSA-N 1 1 412.530 3.286 50 0 HGAAMO C[C@H]1C[NH+](Cc2ccc(C(=O)OCC(=O)Nc3ccc(Cl)cn3)cc2)C[C@H](C)O1 ZINC000032936236 524616263 /nfs/dbraw/zinc/61/62/63/524616263.db2.gz CEBSLPIUNPNDQP-GJZGRUSLSA-N 1 1 417.893 3.140 50 0 HGAAMO Cc1ccc(S(=O)(=O)NC[C@H](c2ccsc2)[NH+](C)C)c(Br)c1 ZINC000045809539 525576251 /nfs/dbraw/zinc/57/62/51/525576251.db2.gz YOSNYRLKJLHUIQ-CQSZACIVSA-N 1 1 403.367 3.400 50 0 HGAAMO O=C(C1CC[NH+](Cc2nc3ccccc3[nH]2)CC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000044443493 526305332 /nfs/dbraw/zinc/30/53/32/526305332.db2.gz YIMYQXSMIVKNHG-UHFFFAOYSA-N 1 1 421.520 3.263 50 0 HGAAMO c1ccc2c(c1)nc(N1CC[NH+](Cc3ccc4c(c3)OCO4)CC1)nc2N1CCCC1 ZINC000041148331 526514922 /nfs/dbraw/zinc/51/49/22/526514922.db2.gz SFKFHGPFLUOLEB-UHFFFAOYSA-N 1 1 417.513 3.281 50 0 HGAAMO Cc1nc2ccccn2c1CN1CC[NH+](C[C@H](O)COc2ccccc2C(C)C)CC1 ZINC000022878601 527178240 /nfs/dbraw/zinc/17/82/40/527178240.db2.gz BYVKVYIWOIKPPS-NRFANRHFSA-N 1 1 422.573 3.324 50 0 HGAAMO Cc1c(C(=O)NCCC(C)C)nnn1-c1cccc2c1CC[N@H+](Cc1ccccn1)C2 ZINC000071890376 557314990 /nfs/dbraw/zinc/31/49/90/557314990.db2.gz UUFWDXNXNHCDPY-UHFFFAOYSA-N 1 1 418.545 3.305 50 0 HGAAMO Cc1c(C(=O)NCCC(C)C)nnn1-c1cccc2c1CC[N@@H+](Cc1ccccn1)C2 ZINC000071890376 557314993 /nfs/dbraw/zinc/31/49/93/557314993.db2.gz UUFWDXNXNHCDPY-UHFFFAOYSA-N 1 1 418.545 3.305 50 0 HGAAMO Cc1ccc(Cl)cc1N1CC[C@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000034675567 557363658 /nfs/dbraw/zinc/36/36/58/557363658.db2.gz XHQQFNPBSOSLID-HXUWFJFHSA-N 1 1 411.933 3.346 50 0 HGAAMO COc1cc(C[N@@H+]2CCC[C@@H](CNS(=O)(=O)Cc3ccccc3)C2)ccc1F ZINC000019733346 558260162 /nfs/dbraw/zinc/26/01/62/558260162.db2.gz JFGCBUVXLANNEV-IBGZPJMESA-N 1 1 406.523 3.166 50 0 HGAAMO COc1cc(C[N@H+]2CCC[C@@H](CNS(=O)(=O)Cc3ccccc3)C2)ccc1F ZINC000019733346 558260164 /nfs/dbraw/zinc/26/01/64/558260164.db2.gz JFGCBUVXLANNEV-IBGZPJMESA-N 1 1 406.523 3.166 50 0 HGAAMO COc1ccc(F)cc1C(=O)[C@H]1CCC[N@@H+](Cc2ccc(N3CCNC3=O)cc2)C1 ZINC000011760437 558273275 /nfs/dbraw/zinc/27/32/75/558273275.db2.gz ZMDJZGYDDBOHAQ-KRWDZBQOSA-N 1 1 411.477 3.459 50 0 HGAAMO COC[C@@H]1CC[N@@H+](Cc2c(C(=O)N(C)CCc3ccccc3)nc3c(C)cccn23)C1 ZINC000011819753 558282964 /nfs/dbraw/zinc/28/29/64/558282964.db2.gz QIBLWPGWKMAYJU-OAQYLSRUSA-N 1 1 420.557 3.426 50 0 HGAAMO O=C1C[C@H](N2CC[NH+](Cc3ccccc3)CC2)C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000019797549 558284821 /nfs/dbraw/zinc/28/48/21/558284821.db2.gz ISGJNSIEPFATSM-IBGZPJMESA-N 1 1 418.324 3.443 50 0 HGAAMO O=C(c1ccccc1)c1ccc(OC[C@H](O)C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000019831703 558291650 /nfs/dbraw/zinc/29/16/50/558291650.db2.gz JOZPIUKCOKSXEJ-XMMPIXPASA-N 1 1 416.521 3.480 50 0 HGAAMO O=C(NCC[N@H+]1CCC[C@H](c2ccccc2)C1)c1cn(CCc2ccccc2)nn1 ZINC000011874815 558292345 /nfs/dbraw/zinc/29/23/45/558292345.db2.gz VNUSAFNJNZKSSU-QFIPXVFZSA-N 1 1 403.530 3.130 50 0 HGAAMO COc1ccc(C[N@@H+]2CCc3nnc([C@H](C)NC(=O)c4ccoc4C)n3CC2)cc1C ZINC000019835904 558292730 /nfs/dbraw/zinc/29/27/30/558292730.db2.gz QLMKDKXDGMKREY-INIZCTEOSA-N 1 1 423.517 3.046 50 0 HGAAMO O=C(NCc1ccc(Cl)cc1)[C@H]1CCC[N@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000012004074 558308637 /nfs/dbraw/zinc/30/86/37/558308637.db2.gz XVLMVUJOBDFMRK-SFHVURJKSA-N 1 1 403.954 3.069 50 0 HGAAMO COc1ccc(CCC(=O)NCC[N@H+]2Cc3cc(C)ccc3O[C@H](C)C2)cc1OC ZINC000012035036 558311677 /nfs/dbraw/zinc/31/16/77/558311677.db2.gz UMJUBJWDJABNJC-GOSISDBHSA-N 1 1 412.530 3.344 50 0 HGAAMO COc1ccc(CCC(=O)NCC[N@@H+]2Cc3cc(C)ccc3O[C@H](C)C2)cc1OC ZINC000012035036 558311681 /nfs/dbraw/zinc/31/16/81/558311681.db2.gz UMJUBJWDJABNJC-GOSISDBHSA-N 1 1 412.530 3.344 50 0 HGAAMO OCC[C@@H]1CN(Cc2c[nH]nc2-c2ccc(F)cc2)CC[N@H+]1Cc1cccs1 ZINC000019940081 558314059 /nfs/dbraw/zinc/31/40/59/558314059.db2.gz DRGBXPSBVLNXHM-LJQANCHMSA-N 1 1 400.523 3.346 50 0 HGAAMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cn(Cc2ccccc2F)nn1 ZINC000012090473 558323971 /nfs/dbraw/zinc/32/39/71/558323971.db2.gz NITYBTUYBMICJN-IBGZPJMESA-N 1 1 407.493 3.108 50 0 HGAAMO COc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3ccc(N4CCNC4=O)cc3)C2)c(OC)c1 ZINC000020204141 558346573 /nfs/dbraw/zinc/34/65/73/558346573.db2.gz WMKFBYCPZRAAJO-GOSISDBHSA-N 1 1 423.513 3.328 50 0 HGAAMO COc1ccc(OC)c([C@H]2CC[N@H+](Cc3nc(-c4ccc5c(c4)OCO5)no3)C2)c1 ZINC000020205417 558346928 /nfs/dbraw/zinc/34/69/28/558346928.db2.gz ZXVSAQPNIPXGON-HNNXBMFYSA-N 1 1 409.442 3.472 50 0 HGAAMO COc1ccc(OC)c([C@H]2CC[N@@H+](Cc3nc(-c4ccc5c(c4)OCO5)no3)C2)c1 ZINC000020205417 558346930 /nfs/dbraw/zinc/34/69/30/558346930.db2.gz ZXVSAQPNIPXGON-HNNXBMFYSA-N 1 1 409.442 3.472 50 0 HGAAMO COc1cccc(C(=O)N[C@H](C)c2nnc3n2CC[N@H+](Cc2ccccc2C)CC3)c1 ZINC000020452906 558367133 /nfs/dbraw/zinc/36/71/33/558367133.db2.gz LBCKFTJFANNETE-GOSISDBHSA-N 1 1 419.529 3.144 50 0 HGAAMO O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC000012297368 558367369 /nfs/dbraw/zinc/36/73/69/558367369.db2.gz GWXJFQRUOAOVGP-LJQANCHMSA-N 1 1 418.497 3.494 50 0 HGAAMO Cc1nccn1-c1ccc(NC(=O)[C@H]2CCC[N@H+]2C2CSCCSC2)cc1 ZINC000012301979 558371528 /nfs/dbraw/zinc/37/15/28/558371528.db2.gz NNPZXYCXRCYNIX-LJQANCHMSA-N 1 1 402.589 3.432 50 0 HGAAMO Cc1nc2ccccc2n1Cc1cc(C(=O)N2CCC[N@H+](C3CCCC3)CC2)[nH]n1 ZINC000012307007 558375649 /nfs/dbraw/zinc/37/56/49/558375649.db2.gz JVMAUAYCUWBJKA-UHFFFAOYSA-N 1 1 406.534 3.207 50 0 HGAAMO O=C([C@@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020613611 558391710 /nfs/dbraw/zinc/39/17/10/558391710.db2.gz XTNHMHYHBQLPRY-QGZVFWFLSA-N 1 1 415.896 3.176 50 0 HGAAMO CN(C(=O)c1cc2ccccc2oc1=O)[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012590432 558435458 /nfs/dbraw/zinc/43/54/58/558435458.db2.gz MMJDIUPXTZPVAE-FQEVSTJZSA-N 1 1 402.494 3.497 50 0 HGAAMO Cc1ccccc1Cn1cc(C(=O)NCC[N@H+]2CCC[C@@H](c3ccccc3)C2)nn1 ZINC000012713730 558454128 /nfs/dbraw/zinc/45/41/28/558454128.db2.gz VGJYJOVZSKQUQI-JOCHJYFZSA-N 1 1 403.530 3.244 50 0 HGAAMO Cc1c(C[NH+]2CCN(C/C=C/c3ccccc3)CC2)c(=O)n(-c2ccccc2)n1C ZINC000022027639 558459027 /nfs/dbraw/zinc/45/90/27/558459027.db2.gz SBODRTNECNFFAL-FMIVXFBMSA-N 1 1 402.542 3.315 50 0 HGAAMO Cc1c(CN2CC[NH+](C/C=C/c3ccccc3)CC2)c(=O)n(-c2ccccc2)n1C ZINC000022027639 558459029 /nfs/dbraw/zinc/45/90/29/558459029.db2.gz SBODRTNECNFFAL-FMIVXFBMSA-N 1 1 402.542 3.315 50 0 HGAAMO CCC(CC)[C@@H](CNC(=O)c1cc(F)ccc1Br)[NH+]1CCOCC1 ZINC000022755752 558508126 /nfs/dbraw/zinc/50/81/26/558508126.db2.gz OBQMJIBEJIXEOK-QGZVFWFLSA-N 1 1 401.320 3.455 50 0 HGAAMO COC(=O)CC[N@@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000022781244 558510045 /nfs/dbraw/zinc/51/00/45/558510045.db2.gz UPMZLAHYCVQHLU-QHCPKHFHSA-N 1 1 415.486 3.232 50 0 HGAAMO COC(=O)CC[N@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000022781244 558510046 /nfs/dbraw/zinc/51/00/46/558510046.db2.gz UPMZLAHYCVQHLU-QHCPKHFHSA-N 1 1 415.486 3.232 50 0 HGAAMO CC[N@@H+]1CCC[C@@H]1CNCc1ccc(Oc2nnnn2-c2ccccc2)c(OC)c1 ZINC000022935454 558526361 /nfs/dbraw/zinc/52/63/61/558526361.db2.gz MEKDXSJIQPXHIP-LJQANCHMSA-N 1 1 408.506 3.037 50 0 HGAAMO CC[N@H+]1CCC[C@@H]1CNCc1ccc(Oc2nnnn2-c2ccccc2)c(OC)c1 ZINC000022935454 558526363 /nfs/dbraw/zinc/52/63/63/558526363.db2.gz MEKDXSJIQPXHIP-LJQANCHMSA-N 1 1 408.506 3.037 50 0 HGAAMO CCc1cc2c(CN3CC[NH+](Cc4ccc(OC)cc4)CC3)cc(=O)oc2cc1O ZINC000023303747 558548679 /nfs/dbraw/zinc/54/86/79/558548679.db2.gz LELVPCKRLCCJBL-UHFFFAOYSA-N 1 1 408.498 3.387 50 0 HGAAMO Cc1ccccc1N1CCN([C@H]2CCC[N@@H+](Cc3cccc(OCCO)c3)C2)CC1 ZINC000023374778 558554439 /nfs/dbraw/zinc/55/44/39/558554439.db2.gz YIQOXRWEUIZLFK-QHCPKHFHSA-N 1 1 409.574 3.153 50 0 HGAAMO Cc1ccccc1N1CC[NH+]([C@H]2CCCN(Cc3cccc(OCCO)c3)C2)CC1 ZINC000023374778 558554444 /nfs/dbraw/zinc/55/44/44/558554444.db2.gz YIQOXRWEUIZLFK-QHCPKHFHSA-N 1 1 409.574 3.153 50 0 HGAAMO c1nn(-c2ccccc2)c2ncnc(NC[C@H]3C[N@H+](Cc4ccccc4)CCO3)c12 ZINC000024528333 558600371 /nfs/dbraw/zinc/60/03/71/558600371.db2.gz WJHFYIVROHMRLP-FQEVSTJZSA-N 1 1 400.486 3.128 50 0 HGAAMO c1nn(-c2ccccc2)c2ncnc(NC[C@H]3C[N@@H+](Cc4ccccc4)CCO3)c12 ZINC000024528333 558600374 /nfs/dbraw/zinc/60/03/74/558600374.db2.gz WJHFYIVROHMRLP-FQEVSTJZSA-N 1 1 400.486 3.128 50 0 HGAAMO CC(C)[C@@H](CNC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1)[NH+]1CCOCC1 ZINC000024770709 558611807 /nfs/dbraw/zinc/61/18/07/558611807.db2.gz CZIBOYHBCUCTHA-LJQANCHMSA-N 1 1 405.539 3.049 50 0 HGAAMO COc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc(OC)c1Br ZINC000024928294 558621398 /nfs/dbraw/zinc/62/13/98/558621398.db2.gz NFJAAZFDNPTGLO-MRXNPFEDSA-N 1 1 419.319 3.471 50 0 HGAAMO COC(=O)c1cc(NC(=O)C[NH+]2CCC(Cc3ccccc3)CC2)cc(C(=O)OC)c1 ZINC000014194760 558633059 /nfs/dbraw/zinc/63/30/59/558633059.db2.gz YORGDPUFWBCYBK-UHFFFAOYSA-N 1 1 424.497 3.153 50 0 HGAAMO CCOC(=O)[C@@H](c1ccc(Cl)cc1)N1CC[NH+](C[C@H](O)c2ccc(F)cc2)CC1 ZINC000025225684 558634999 /nfs/dbraw/zinc/63/49/99/558634999.db2.gz MSRZXJQDVOYUCA-LEWJYISDSA-N 1 1 420.912 3.435 50 0 HGAAMO CCOC(=O)[C@H](c1ccc(Cl)cc1)N1CC[NH+](C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000025225668 558635066 /nfs/dbraw/zinc/63/50/66/558635066.db2.gz MSRZXJQDVOYUCA-RTWAWAEBSA-N 1 1 420.912 3.435 50 0 HGAAMO Cc1ccc(C)c(N2N=C(C(=O)N3CC[NH+](Cc4ccccc4)CC3)CCC2=O)c1 ZINC000025784799 558650407 /nfs/dbraw/zinc/65/04/07/558650407.db2.gz GYPDWABNEWDWRG-UHFFFAOYSA-N 1 1 404.514 3.131 50 0 HGAAMO Cn1c2ccccc2nc1C[NH+]1CCC2(CC1)C(=O)N(Cc1ccccc1)C(=O)N2C ZINC000014537344 558658724 /nfs/dbraw/zinc/65/87/24/558658724.db2.gz NCACGVKEQQEQLU-UHFFFAOYSA-N 1 1 417.513 3.002 50 0 HGAAMO Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@H+](C)CCn1nc2ccccn2c1=O ZINC000026905159 558666744 /nfs/dbraw/zinc/66/67/44/558666744.db2.gz PCDXJEZOKPGNPW-UHFFFAOYSA-N 1 1 424.936 3.143 50 0 HGAAMO Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+](C)CCn1nc2ccccn2c1=O ZINC000026905159 558666748 /nfs/dbraw/zinc/66/67/48/558666748.db2.gz PCDXJEZOKPGNPW-UHFFFAOYSA-N 1 1 424.936 3.143 50 0 HGAAMO Cc1nc(C[N@@H+](C)[C@H]2CCc3c(c(C(=O)N(C)C)nn3Cc3ccccc3)C2)cs1 ZINC000014750806 558670823 /nfs/dbraw/zinc/67/08/23/558670823.db2.gz OFHGEUNMAFUTMB-IBGZPJMESA-N 1 1 423.586 3.387 50 0 HGAAMO Cc1nc(C[N@H+](C)[C@H]2CCc3c(c(C(=O)N(C)C)nn3Cc3ccccc3)C2)cs1 ZINC000014750806 558670826 /nfs/dbraw/zinc/67/08/26/558670826.db2.gz OFHGEUNMAFUTMB-IBGZPJMESA-N 1 1 423.586 3.387 50 0 HGAAMO Cc1cc(-c2ccnc(-n3ncc(C(=O)N4CC[NH+](C(C)C)CC4)c3C)n2)c(C)s1 ZINC000014969998 558686988 /nfs/dbraw/zinc/68/69/88/558686988.db2.gz UVAYTYFQAVORNU-UHFFFAOYSA-N 1 1 424.574 3.482 50 0 HGAAMO CC(C)C(=O)N[C@@H](C)c1nnc2n1CC[N@H+](Cc1ccc(-c3ccco3)cc1)CC2 ZINC000014990554 558694348 /nfs/dbraw/zinc/69/43/48/558694348.db2.gz MLEGMBISNWCRQK-KRWDZBQOSA-N 1 1 407.518 3.430 50 0 HGAAMO COCC[N@H+]1CCCN(C(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)CC1 ZINC000072273645 558699273 /nfs/dbraw/zinc/69/92/73/558699273.db2.gz MSPQIWXRJNTRTH-UHFFFAOYSA-N 1 1 421.545 3.474 50 0 HGAAMO Cc1oc(-c2ccccc2)nc1CC(=O)NCc1ccc(N2CCC[N@H+](C)CC2)nc1 ZINC000070037562 558702759 /nfs/dbraw/zinc/70/27/59/558702759.db2.gz AXGCDEOPWODAGO-UHFFFAOYSA-N 1 1 419.529 3.046 50 0 HGAAMO COc1ccc(OCc2cc(C(=O)N(C)C[C@@H]3CCCC[N@H+]3C)n[nH]2)c(Cl)c1 ZINC000015066081 558709133 /nfs/dbraw/zinc/70/91/33/558709133.db2.gz PYDXEJSSXRZURH-HNNXBMFYSA-N 1 1 406.914 3.207 50 0 HGAAMO COc1ccc(OCc2cc(C(=O)N(C)C[C@@H]3CCCC[N@@H+]3C)[nH]n2)c(Cl)c1 ZINC000015066081 558709136 /nfs/dbraw/zinc/70/91/36/558709136.db2.gz PYDXEJSSXRZURH-HNNXBMFYSA-N 1 1 406.914 3.207 50 0 HGAAMO COc1ccc(OCc2cc(C(=O)N(C)C[C@@H]3CCCC[N@H+]3C)[nH]n2)c(Cl)c1 ZINC000015066081 558709139 /nfs/dbraw/zinc/70/91/39/558709139.db2.gz PYDXEJSSXRZURH-HNNXBMFYSA-N 1 1 406.914 3.207 50 0 HGAAMO COc1cccc2c1OCCCN(C(=O)c1cc(Cn3cc[nH+]c3C(C)C)n[nH]1)C2 ZINC000015073633 558714495 /nfs/dbraw/zinc/71/44/95/558714495.db2.gz YOOWODBYNDCAMR-UHFFFAOYSA-N 1 1 409.490 3.211 50 0 HGAAMO COc1ccc(CNC(=O)C2CC[NH+](Cc3nc(-c4ccccc4)no3)CC2)cc1 ZINC000030955208 558747000 /nfs/dbraw/zinc/74/70/00/558747000.db2.gz HBCNZYSGMNTHJA-UHFFFAOYSA-N 1 1 406.486 3.274 50 0 HGAAMO C[C@@H]([C@H](O)c1ccccc1)[N@H+](C)CC(=O)Nc1c2c(nc3ccccc31)N(C)CC2 ZINC000005061002 558781467 /nfs/dbraw/zinc/78/14/67/558781467.db2.gz MTEJNBMIYJMXNT-HJPURHCSSA-N 1 1 404.514 3.220 50 0 HGAAMO C[C@@H]([C@H](O)c1ccccc1)[N@@H+](C)CC(=O)Nc1c2c(nc3ccccc31)N(C)CC2 ZINC000005061002 558781471 /nfs/dbraw/zinc/78/14/71/558781471.db2.gz MTEJNBMIYJMXNT-HJPURHCSSA-N 1 1 404.514 3.220 50 0 HGAAMO CN(Cc1ccc(Cl)s1)C(=O)C[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000016425159 558790576 /nfs/dbraw/zinc/79/05/76/558790576.db2.gz JOPJCGXNUCAJDT-UHFFFAOYSA-N 1 1 407.967 3.329 50 0 HGAAMO CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000016425159 558790581 /nfs/dbraw/zinc/79/05/81/558790581.db2.gz JOPJCGXNUCAJDT-UHFFFAOYSA-N 1 1 407.967 3.329 50 0 HGAAMO CC[NH+]1CCN(C(=O)c2cnn3c2N[C@@H](c2ccccc2)C[C@H]3C(F)(F)F)CC1 ZINC000035805456 558795255 /nfs/dbraw/zinc/79/52/55/558795255.db2.gz UUIMAYFLCRSSSC-SJORKVTESA-N 1 1 407.440 3.321 50 0 HGAAMO COc1cccc(C[N@@H+](C[C@@H](O)COC(C)C)C[C@@H]2CC(c3ccccc3)=NO2)c1 ZINC000036146486 558798145 /nfs/dbraw/zinc/79/81/45/558798145.db2.gz YFXVDJMYIPCDOF-GGAORHGYSA-N 1 1 412.530 3.476 50 0 HGAAMO OCC[C@H]1CN(Cc2ccc(Oc3ncccn3)cc2)CC[N@H+]1Cc1cccs1 ZINC000019229409 558853361 /nfs/dbraw/zinc/85/33/61/558853361.db2.gz DRRQXIMLTKEPPG-IBGZPJMESA-N 1 1 410.543 3.399 50 0 HGAAMO CCn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)N2CC[NH+](CC)CC2)c1=O ZINC000054278107 558867242 /nfs/dbraw/zinc/86/72/42/558867242.db2.gz SGGTURAVZKJXKL-UHFFFAOYSA-N 1 1 416.525 3.375 50 0 HGAAMO CC[NH+]1CCN(C(=O)c2cc3nc(-c4ccccc4)cc(C(F)(F)F)n3n2)CC1 ZINC000054982094 558869843 /nfs/dbraw/zinc/86/98/43/558869843.db2.gz AVKYYNBEIMEXIH-UHFFFAOYSA-N 1 1 403.408 3.193 50 0 HGAAMO CC(=O)c1[nH]c(C)c(C(=O)N2CCC[C@@H]([NH+]3CCN(c4ccccc4)CC3)C2)c1C ZINC000055211498 558876008 /nfs/dbraw/zinc/87/60/08/558876008.db2.gz IMBWWVUIUFZGOG-OAQYLSRUSA-N 1 1 408.546 3.261 50 0 HGAAMO COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000019371862 558879265 /nfs/dbraw/zinc/87/92/65/558879265.db2.gz MQZVLJRSTPUSNR-UHFFFAOYSA-N 1 1 420.513 3.019 50 0 HGAAMO CC[NH+]1CCN(C(=O)c2cnn(-c3nccc(-c4ccccc4F)n3)c2C2CC2)CC1 ZINC000055327512 558879437 /nfs/dbraw/zinc/87/94/37/558879437.db2.gz JMOFYMLNIQDBMS-UHFFFAOYSA-N 1 1 420.492 3.124 50 0 HGAAMO CSc1cccc(NC(=O)N2CC[NH+](CCn3c(C)nc4cccnc43)CC2)c1 ZINC000033139715 558891337 /nfs/dbraw/zinc/89/13/37/558891337.db2.gz ZGLFEEKYBXKNDS-UHFFFAOYSA-N 1 1 410.547 3.311 50 0 HGAAMO COc1ccccc1/C=C/C(=O)NCC(=O)N1CCC([N@@H+](C)C2CCCCC2)CC1 ZINC000004688738 558899017 /nfs/dbraw/zinc/89/90/17/558899017.db2.gz BHGDHIGLQSGGNP-OUKQBFOZSA-N 1 1 413.562 3.080 50 0 biogenic HGAAMO C[N@H+]1CCCN(c2ccc(CNC(=O)Cc3cccc(C(F)(F)F)c3)cn2)CC1 ZINC000058114348 558899704 /nfs/dbraw/zinc/89/97/04/558899704.db2.gz RRWXOCNEGQQLEC-UHFFFAOYSA-N 1 1 406.452 3.101 50 0 HGAAMO CN(c1ccccc1)c1ccccc1NC(=O)NC[C@@H]([C@@H]1CCOC1)[NH+]1CCOCC1 ZINC000058156383 558903114 /nfs/dbraw/zinc/90/31/14/558903114.db2.gz NRDCSMRVBYVPDS-XXBNENTESA-N 1 1 424.545 3.313 50 0 HGAAMO COCCOc1ccc([C@H](C)NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)cc1OC ZINC000058178223 558909925 /nfs/dbraw/zinc/90/99/25/558909925.db2.gz KUQMLHHSCXXRLO-KRWDZBQOSA-N 1 1 407.555 3.297 50 0 HGAAMO O=C(C1CCN(c2cc[nH+]c3ccc(Br)cc32)CC1)N1CCOCC1 ZINC000058248877 558914901 /nfs/dbraw/zinc/91/49/01/558914901.db2.gz CGJIWWGQMSVWNT-UHFFFAOYSA-N 1 1 404.308 3.073 50 0 HGAAMO CCOC(=O)c1cnn(-c2cccc(NC(=O)N[C@H]3CC[N@H+]4CCCC[C@H]34)c2)c1C ZINC000058344940 558921083 /nfs/dbraw/zinc/92/10/83/558921083.db2.gz NGKRZSJVLWQIOY-VQTJNVASSA-N 1 1 411.506 3.106 50 0 HGAAMO Cc1cccn2cc(CC(=O)NCc3ccccc3C[NH+]3C[C@H](C)O[C@@H](C)C3)nc12 ZINC000058405647 558924408 /nfs/dbraw/zinc/92/44/08/558924408.db2.gz SKLQQRBFSIIFSX-OALUTQOASA-N 1 1 406.530 3.111 50 0 HGAAMO CCCc1cc(C(=O)N2CCC[C@@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2)no1 ZINC000061970963 558947689 /nfs/dbraw/zinc/94/76/89/558947689.db2.gz ZKVXCASLPCDDHJ-LJQANCHMSA-N 1 1 400.498 3.193 50 0 HGAAMO Cc1ccc(NC(=O)c2nnc(C(=O)NCCC[N@@H+]3CCCC[C@@H]3C)s2)cc1 ZINC000033060423 558954815 /nfs/dbraw/zinc/95/48/15/558954815.db2.gz QOLAJLKOSHNJCY-HNNXBMFYSA-N 1 1 401.536 3.093 50 0 HGAAMO COc1cc(OC)c(NC(=O)CCc2nc(C3=CC[N@@H+](C)CC3)no2)cc1Cl ZINC000033069121 558983384 /nfs/dbraw/zinc/98/33/84/558983384.db2.gz AACDGNGIDPYWCN-UHFFFAOYSA-N 1 1 406.870 3.030 50 0 HGAAMO CCNC(=O)N1CCC[C@@H](c2cccc(C(=O)NCC[N@H+]3CCCC[C@@H]3C)c2)C1 ZINC000033264213 558984684 /nfs/dbraw/zinc/98/46/84/558984684.db2.gz PEOVBAMEGAMIDK-GHTZIAJQSA-N 1 1 400.567 3.200 50 0 HGAAMO O=C(NCCCN1CCOCC1)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000067622799 558990075 /nfs/dbraw/zinc/99/00/75/558990075.db2.gz DJKLMSFOACWXQF-UHFFFAOYSA-N 1 1 414.377 3.044 50 0 HGAAMO Cc1ncn(-c2cc(N3CCN(C(=O)c4ccc(C)c(C)c4)CC3)[nH+]c(C)n2)c1C ZINC000077134258 558999435 /nfs/dbraw/zinc/99/94/35/558999435.db2.gz JHYLLWPDJQHYOO-UHFFFAOYSA-N 1 1 404.518 3.167 50 0 HGAAMO O=C(NCc1nccs1)[C@@H]1CCC[N@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000082098829 559037881 /nfs/dbraw/zinc/03/78/81/559037881.db2.gz FNUFBQBFHLIIOP-HXUWFJFHSA-N 1 1 412.603 3.178 50 0 HGAAMO CN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082106819 559038238 /nfs/dbraw/zinc/03/82/38/559038238.db2.gz WVDMRGMARGNJLV-HSZRJFAPSA-N 1 1 406.574 3.417 50 0 HGAAMO Cc1ccc(CN2CCC([N@H+]3CCC[C@@H](C(=O)NCc4cccnc4)C3)CC2)s1 ZINC000082108120 559038636 /nfs/dbraw/zinc/03/86/36/559038636.db2.gz TVJMZIGGPSIEIU-HXUWFJFHSA-N 1 1 412.603 3.444 50 0 HGAAMO COCCCN(C)C(=O)[C@@H]1CCC[N@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000082121583 559039550 /nfs/dbraw/zinc/03/95/50/559039550.db2.gz GEUXJNJUQMXMED-GOSISDBHSA-N 1 1 414.550 3.004 50 0 HGAAMO COc1ccc(NC(=O)N2CCN(c3cc[nH+]c(N4CCCC4)n3)CC2)cc1Cl ZINC000082230705 559043097 /nfs/dbraw/zinc/04/30/97/559043097.db2.gz FQUAZAUORMEXMQ-UHFFFAOYSA-N 1 1 416.913 3.093 50 0 HGAAMO CCOC(=O)c1ccccc1C(=O)c1ccccc1C[NH+]1CCC2(CC1)OCCO2 ZINC000085651544 559057243 /nfs/dbraw/zinc/05/72/43/559057243.db2.gz SCGKTQAGYCQITK-UHFFFAOYSA-N 1 1 409.482 3.433 50 0 HGAAMO O=C([C@H]1CCC[N@H+](C2CCN(c3nc4ccccc4o3)CC2)C1)N1CCSCC1 ZINC000091270180 559070747 /nfs/dbraw/zinc/07/07/47/559070747.db2.gz BCRUKWCUAVWQCA-KRWDZBQOSA-N 1 1 414.575 3.084 50 0 HGAAMO COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CC[N@H+](CCCOc1ccccc1)C2 ZINC000095368584 559080200 /nfs/dbraw/zinc/08/02/00/559080200.db2.gz OADAZEVZQMVQMU-AKFKNWHVSA-N 1 1 402.579 3.295 50 0 HGAAMO COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CC[N@@H+](CCCOc1ccccc1)C2 ZINC000095368584 559080201 /nfs/dbraw/zinc/08/02/01/559080201.db2.gz OADAZEVZQMVQMU-AKFKNWHVSA-N 1 1 402.579 3.295 50 0 HGAAMO CN(C[C@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1)C(=O)CCc1ccnn1C ZINC000095516963 559084546 /nfs/dbraw/zinc/08/45/46/559084546.db2.gz GMQOQJUHYUVGMA-LJQANCHMSA-N 1 1 402.970 3.419 50 0 HGAAMO Cc1[nH+]ccn1-c1ccc(NC(=O)[C@@H]2CCCN2C(=O)CCc2cccnc2)cc1 ZINC000095521996 559085388 /nfs/dbraw/zinc/08/53/88/559085388.db2.gz DAPXGQZCPTXSFZ-NRFANRHFSA-N 1 1 403.486 3.138 50 0 HGAAMO CCC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)Cc1csc(C(C)=O)c1)CC2 ZINC000096131445 559095507 /nfs/dbraw/zinc/09/55/07/559095507.db2.gz XNHAMQDQMQFTCL-UHFFFAOYSA-N 1 1 400.548 3.002 50 0 HGAAMO O=C(c1ccc(N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)nc1)N1CCCC1 ZINC000084414960 559149563 /nfs/dbraw/zinc/14/95/63/559149563.db2.gz ZNNNEIALZWQVBT-UHFFFAOYSA-N 1 1 414.937 3.172 50 0 HGAAMO CCCOc1ccc(N2C(=O)C[C@H](NNc3[nH+]cc(Cl)cc3Cl)C2=O)cc1 ZINC000100121607 559157427 /nfs/dbraw/zinc/15/74/27/559157427.db2.gz LQKSBSHAIBDPLM-HNNXBMFYSA-N 1 1 409.273 3.426 50 0 HGAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1nc(-c2cc(OC)c(OC)c(OC)c2)sc1C ZINC000011691876 559185514 /nfs/dbraw/zinc/18/55/14/559185514.db2.gz YYMRPVBDWHLUOB-HNNXBMFYSA-N 1 1 419.547 3.358 50 0 HGAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCCNC(=O)c1cc2c(c3ccccc3n(C)c2=O)n1C ZINC000004938945 559211616 /nfs/dbraw/zinc/21/16/16/559211616.db2.gz WPHDYUBGDWPYSY-CALCHBBNSA-N 1 1 408.546 3.413 50 0 aggregator HGAAMO COc1cccc(C(=O)Nc2cccc(-c3ccc(N4CC[NH+](C)CC4)nn3)c2)c1 ZINC000004939838 559212355 /nfs/dbraw/zinc/21/23/55/559212355.db2.gz DJOWIQMMODJTMR-UHFFFAOYSA-N 1 1 403.486 3.156 50 0 HGAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)CCCOc1cc(=O)n(C)c2ccccc12 ZINC000005067713 559240171 /nfs/dbraw/zinc/24/01/71/559240171.db2.gz XWRFYPXSZXZJPL-LJQANCHMSA-N 1 1 413.562 3.468 50 0 HGAAMO COCCN(C[C@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)c1cc(-c2ccsc2)n[nH]1 ZINC000409413125 559250407 /nfs/dbraw/zinc/25/04/07/559250407.db2.gz DBXANTGRDZMASA-UZLBHIALSA-N 1 1 402.564 3.491 50 0 HGAAMO COCCN(C[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)c1cc(-c2ccsc2)[nH]n1 ZINC000409413125 559250409 /nfs/dbraw/zinc/25/04/09/559250409.db2.gz DBXANTGRDZMASA-UZLBHIALSA-N 1 1 402.564 3.491 50 0 HGAAMO COCCN(C[C@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)c1cc(-c2ccsc2)[nH]n1 ZINC000409413125 559250411 /nfs/dbraw/zinc/25/04/11/559250411.db2.gz DBXANTGRDZMASA-UZLBHIALSA-N 1 1 402.564 3.491 50 0 HGAAMO O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCCC2=C[C@@H]3C[C@@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC000409413424 559250633 /nfs/dbraw/zinc/25/06/33/559250633.db2.gz APOCTQBTQNWTOI-NCNNEKRASA-N 1 1 418.541 3.300 50 0 HGAAMO COCCN(C[C@@H]1C[N@@H+](Cc2cccs2)C[C@H]1c1ccc(C)cc1)C(=O)COC ZINC000248075806 559261948 /nfs/dbraw/zinc/26/19/48/559261948.db2.gz IEUKMFGNDISNEL-UNMCSNQZSA-N 1 1 416.587 3.394 50 0 HGAAMO COc1cccc(C(=O)Nc2ccc(-c3ccc(N4CC[NH+](C)CC4)nn3)cc2)c1 ZINC000005259406 560550838 /nfs/dbraw/zinc/55/08/38/560550838.db2.gz IVKPARZWOXFPNY-UHFFFAOYSA-N 1 1 403.486 3.156 50 0 HGAAMO C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000105563927 560875708 /nfs/dbraw/zinc/87/57/08/560875708.db2.gz POGNYJALLLGSEA-LIAWOJLJSA-N 1 1 409.574 3.223 50 0 HGAAMO C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000105563927 560875710 /nfs/dbraw/zinc/87/57/10/560875710.db2.gz POGNYJALLLGSEA-LIAWOJLJSA-N 1 1 409.574 3.223 50 0 HGAAMO CCn1c(C)cc(O)c([C@@H](c2cccnc2)[NH+]2CCN(c3ccccc3)CC2)c1=O ZINC000022697459 568415503 /nfs/dbraw/zinc/41/55/03/568415503.db2.gz HOTVEPBLVYFFCP-HSZRJFAPSA-N 1 1 404.514 3.189 50 0 HGAAMO CC(C)[C@@H](CNC(=O)CCCOc1ccccc1Br)[NH+]1CCOCC1 ZINC000048111369 568431930 /nfs/dbraw/zinc/43/19/30/568431930.db2.gz GRMTWEXFILUXHM-QGZVFWFLSA-N 1 1 413.356 3.081 50 0 HGAAMO CCn1nc(C)c(CNCc2cccc(OC[C@H](O)C[NH+]3CCCCCC3)c2)c1C ZINC000012301143 568464533 /nfs/dbraw/zinc/46/45/33/568464533.db2.gz DSXBGPRNDYGWJV-JOCHJYFZSA-N 1 1 414.594 3.425 50 0 HGAAMO COc1cccc(CN2CCC[C@@]3(CC[N@@H+](Cc4ccc(CO)o4)C3)C2)c1OC ZINC000014978014 568517275 /nfs/dbraw/zinc/51/72/75/568517275.db2.gz JBPASXRHEUNCEX-HSZRJFAPSA-N 1 1 400.519 3.277 50 0 HGAAMO COc1cccc(C[N@@H+]2CCC[C@@]3(CCN(Cc4ccc(CO)o4)C3)C2)c1OC ZINC000014978014 568517276 /nfs/dbraw/zinc/51/72/76/568517276.db2.gz JBPASXRHEUNCEX-HSZRJFAPSA-N 1 1 400.519 3.277 50 0 HGAAMO COc1cccc(C[N@H+]2CCC[C@@]3(CCN(Cc4ccc(CO)o4)C3)C2)c1OC ZINC000014978014 568517278 /nfs/dbraw/zinc/51/72/78/568517278.db2.gz JBPASXRHEUNCEX-HSZRJFAPSA-N 1 1 400.519 3.277 50 0 HGAAMO COc1ccccc1Nc1cc(C(=O)NCCC[NH+]2CCOCC2)c2ccccc2n1 ZINC000020212490 568594346 /nfs/dbraw/zinc/59/43/46/568594346.db2.gz UGQCLHKHKRZIMM-UHFFFAOYSA-N 1 1 420.513 3.439 50 0 HGAAMO C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](C[NH+]4CCN(Cc5ccccc5)CC4)[C@H]3[C@@H](O)[C@@]21C ZINC000020411328 568605230 /nfs/dbraw/zinc/60/52/30/568605230.db2.gz WRMKBSBJQCLVBI-ZKNOEPHOSA-N 1 1 424.585 3.089 50 0 biogenic HGAAMO C[C@H]1C[C@@H](NC(=O)COc2ccc(N3CCCC3=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000095408978 568606541 /nfs/dbraw/zinc/60/65/41/568606541.db2.gz RIQLCABSCOHFIC-FPOVZHCZSA-N 1 1 421.541 3.362 50 0 HGAAMO C[NH+]1CCN(c2ccc(C(=O)OCC3CCN(CC(F)(F)F)CC3)cc2F)CC1 ZINC000095456268 568617751 /nfs/dbraw/zinc/61/77/51/568617751.db2.gz XGQOQGDWLDVJDG-UHFFFAOYSA-N 1 1 417.447 3.009 50 0 HGAAMO CCC(=O)c1ccc(OCC(=O)Nc2cccc(CC[NH+]3CCN(C)CC3)c2)cc1 ZINC000095457794 568618781 /nfs/dbraw/zinc/61/87/81/568618781.db2.gz MLPIYMINTQDUIX-UHFFFAOYSA-N 1 1 409.530 3.087 50 0 HGAAMO CC[N@@H+](CCC1CCN(C(=O)CNC(=O)NCc2ccc(F)cc2)CC1)CC(C)C ZINC000095459636 568619818 /nfs/dbraw/zinc/61/98/18/568619818.db2.gz VTNAIGNMCSBYMS-UHFFFAOYSA-N 1 1 420.573 3.232 50 0 HGAAMO C[NH+]1CCN(C(=O)[C@H]2CC23CCN(C(=O)c2ccc(Oc4ccccc4)o2)CC3)CC1 ZINC000095464885 568622794 /nfs/dbraw/zinc/62/27/94/568622794.db2.gz KTDDMRBISRHSPP-LJQANCHMSA-N 1 1 423.513 3.088 50 0 HGAAMO CCOC(=O)c1cnn(-c2ccc(NC(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)cc2)c1C ZINC000229447501 568714285 /nfs/dbraw/zinc/71/42/85/568714285.db2.gz JXBGZMMNONHKPX-UXHICEINSA-N 1 1 411.506 3.106 50 0 HGAAMO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1ccc(N(C)C(=O)OC(C)(C)C)s1 ZINC000242273738 568732551 /nfs/dbraw/zinc/73/25/51/568732551.db2.gz YFNSXVJXRZZFGU-AWEZNQCLSA-N 1 1 411.568 3.037 50 0 HGAAMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1ccc(N(C)C(=O)OC(C)(C)C)s1 ZINC000242273738 568732554 /nfs/dbraw/zinc/73/25/54/568732554.db2.gz YFNSXVJXRZZFGU-AWEZNQCLSA-N 1 1 411.568 3.037 50 0 HGAAMO CCOC(=O)C1C(C[NH2+][C@H](C)CCc2ccccc2)=NC(=O)N[C@H]1c1ccccc1 ZINC000085993826 568745129 /nfs/dbraw/zinc/74/51/29/568745129.db2.gz SLDFDPJKNPNUES-VGSWGCGISA-N 1 1 407.514 3.469 50 0 HGAAMO Cc1cccc(C)c1OCCOC[C@H](O)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000022608896 568771751 /nfs/dbraw/zinc/77/17/51/568771751.db2.gz JOBUUTXPHMZCPL-HXUWFJFHSA-N 1 1 402.510 3.021 50 0 HGAAMO CN(C[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)c1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000299754450 568782192 /nfs/dbraw/zinc/78/21/92/568782192.db2.gz PYDXUZVLGDPNIJ-HKUYNNGSSA-N 1 1 410.518 3.184 50 0 biogenic HGAAMO CN(C[C@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)c1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000299754451 568782258 /nfs/dbraw/zinc/78/22/58/568782258.db2.gz PYDXUZVLGDPNIJ-IEBWSBKVSA-N 1 1 410.518 3.184 50 0 biogenic HGAAMO CCn1c(C[NH2+][C@H](C)c2ccccc2OC)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000057270674 568825471 /nfs/dbraw/zinc/82/54/71/568825471.db2.gz VUQAVQMTTOEKSB-OAHLLOKOSA-N 1 1 416.547 3.166 50 0 HGAAMO O=C(C[NH+]1CCC(C(=O)N2CCCCCC2)CC1)Nc1ccccc1N1CCCC1 ZINC000012533390 568844710 /nfs/dbraw/zinc/84/47/10/568844710.db2.gz OSBPSGZRLLLBEG-UHFFFAOYSA-N 1 1 412.578 3.340 50 0 HGAAMO COC(=O)[C@H]1CN(C(=O)C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)c2ccccc2O1 ZINC000057504094 568846474 /nfs/dbraw/zinc/84/64/74/568846474.db2.gz XTSULRZSKCZPMO-GOSISDBHSA-N 1 1 422.403 3.104 50 0 HGAAMO COC(=O)[C@H]1CN(C(=O)C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)c2ccccc2O1 ZINC000057504094 568846475 /nfs/dbraw/zinc/84/64/75/568846475.db2.gz XTSULRZSKCZPMO-GOSISDBHSA-N 1 1 422.403 3.104 50 0 HGAAMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000230223578 568855885 /nfs/dbraw/zinc/85/58/85/568855885.db2.gz PIMGUNZFOKZYQU-PMPSAXMXSA-N 1 1 422.367 3.039 50 0 HGAAMO O=S(=O)(NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000030430550 568864744 /nfs/dbraw/zinc/86/47/44/568864744.db2.gz YPKUFXRLENOFQX-UHFFFAOYSA-N 1 1 421.566 3.487 50 0 HGAAMO CC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]3CCC[N@@H+]3[C@@]23c2ccccc2N(C)C3=O)c1 ZINC000057992610 568873047 /nfs/dbraw/zinc/87/30/47/568873047.db2.gz GWKQRCRWPHCEDS-WWEVIYMKSA-N 1 1 403.482 3.184 50 0 HGAAMO CC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]3CCC[N@H+]3[C@@]23c2ccccc2N(C)C3=O)c1 ZINC000057992610 568873049 /nfs/dbraw/zinc/87/30/49/568873049.db2.gz GWKQRCRWPHCEDS-WWEVIYMKSA-N 1 1 403.482 3.184 50 0 HGAAMO COc1cc(OC)c(NC(=O)NCC[NH+]2CCN(c3ccccc3)CC2)cc1Cl ZINC000058021522 568878148 /nfs/dbraw/zinc/87/81/48/568878148.db2.gz FZUNHDKDJNVZMI-UHFFFAOYSA-N 1 1 418.925 3.301 50 0 HGAAMO O=S(=O)(N[C@@H]1CCCC[C@@H]1[NH+]1CCN(c2ccc(F)cc2)CC1)c1ccccc1 ZINC000058085791 568884012 /nfs/dbraw/zinc/88/40/12/568884012.db2.gz QVGHQOZTHWBEMR-YADHBBJMSA-N 1 1 417.550 3.237 50 0 HGAAMO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](C[C@@H](O)Cn2c3ccccc3c3c2CCCC3)C1 ZINC000001323233 568914896 /nfs/dbraw/zinc/91/48/96/568914896.db2.gz ROTXKTSJRVHHQL-XUVXKRRUSA-N 1 1 417.553 3.162 50 0 biogenic HGAAMO C[N@H+](CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)Cc1ccc(Cl)cc1 ZINC000003585434 568917498 /nfs/dbraw/zinc/91/74/98/568917498.db2.gz YNXANSOTKBVGHR-UHFFFAOYSA-N 1 1 421.950 3.195 50 0 HGAAMO C[N@@H+](CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)Cc1ccc(Cl)cc1 ZINC000003585434 568917501 /nfs/dbraw/zinc/91/75/01/568917501.db2.gz YNXANSOTKBVGHR-UHFFFAOYSA-N 1 1 421.950 3.195 50 0 HGAAMO CN(Cc1ccccc1)C(=O)C[NH+]1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000012734715 568923531 /nfs/dbraw/zinc/92/35/31/568923531.db2.gz YJARBUCUSUMODA-UHFFFAOYSA-N 1 1 408.498 3.011 50 0 HGAAMO CC[N@@H+]1CCc2c(sc(NC(=O)c3ccc(Br)cc3)c2C(N)=O)C1 ZINC000004087020 568940754 /nfs/dbraw/zinc/94/07/54/568940754.db2.gz RDLAWIFIMGCSDO-UHFFFAOYSA-N 1 1 408.321 3.240 50 0 HGAAMO CC[N@H+]1CCc2c(sc(NC(=O)c3ccc(Br)cc3)c2C(N)=O)C1 ZINC000004087020 568940757 /nfs/dbraw/zinc/94/07/57/568940757.db2.gz RDLAWIFIMGCSDO-UHFFFAOYSA-N 1 1 408.321 3.240 50 0 HGAAMO Cc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NCCC[NH+]2CCOCC2)c1 ZINC000012754932 568942462 /nfs/dbraw/zinc/94/24/62/568942462.db2.gz JQLJJJXJLMXRDE-UHFFFAOYSA-N 1 1 404.514 3.300 50 0 HGAAMO Cc1ccc(C(=O)NCC(=O)Nc2nc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cs2)cc1 ZINC000012783499 568958959 /nfs/dbraw/zinc/95/89/59/568958959.db2.gz RYPZKVJXHBLMLG-IYBDPMFKSA-N 1 1 400.548 3.298 50 0 HGAAMO Cc1ccc(C(=O)NCC(=O)Nc2nc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cs2)cc1 ZINC000012783499 568958962 /nfs/dbraw/zinc/95/89/62/568958962.db2.gz RYPZKVJXHBLMLG-IYBDPMFKSA-N 1 1 400.548 3.298 50 0 HGAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(CN2c3ccnn3CCC2=O)cc1 ZINC000015724278 568977645 /nfs/dbraw/zinc/97/76/45/568977645.db2.gz VPVMXVAORFYWFP-NRFANRHFSA-N 1 1 423.561 3.204 50 0 HGAAMO C[C@H]1CSc2ccc(S(=O)(=O)N3CC[NH+](C4CCCCC4)CC3)cc2NC1=O ZINC000015730700 568981393 /nfs/dbraw/zinc/98/13/93/568981393.db2.gz COCLBGLPGHPVPI-HNNXBMFYSA-N 1 1 423.604 3.006 50 0 HGAAMO CN1CCC([N@@H+](C)C[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000006083733 568996083 /nfs/dbraw/zinc/99/60/83/568996083.db2.gz QNHZXTRGJXXAGI-QFIPXVFZSA-N 1 1 404.501 3.458 50 0 HGAAMO CCSc1nnc(NC(=O)C2CC[NH+](Cc3nc4ccccc4[nH]3)CC2)s1 ZINC000038489449 568997836 /nfs/dbraw/zinc/99/78/36/568997836.db2.gz DWUNKRTZDVENKA-UHFFFAOYSA-N 1 1 402.549 3.377 50 0 HGAAMO CC[C@@H](c1nnc(S[C@H](C)C(=O)NC2CC2)n1-c1ccc(OC)cc1)[NH+](C)C ZINC000008427806 569002098 /nfs/dbraw/zinc/00/20/98/569002098.db2.gz FBTCVPVSQQZIEI-DYVFJYSZSA-N 1 1 403.552 3.048 50 0 HGAAMO CCOc1ccc(C[N@@H+]2CCN(Cc3ccc4nsnc4c3)C[C@H]2CCO)cc1 ZINC000104310746 569008239 /nfs/dbraw/zinc/00/82/39/569008239.db2.gz DLSYUQVALNDSKU-LJQANCHMSA-N 1 1 412.559 3.159 50 0 HGAAMO CCOc1ccc(C[N@H+]2CCN(Cc3ccc4nsnc4c3)C[C@H]2CCO)cc1 ZINC000104310746 569008240 /nfs/dbraw/zinc/00/82/40/569008240.db2.gz DLSYUQVALNDSKU-LJQANCHMSA-N 1 1 412.559 3.159 50 0 HGAAMO COc1ccc(C[N@@H+]2CCN(Cc3c(C)nn(C(C)C)c3C)C[C@H]2CCO)cc1C ZINC000104338489 569008396 /nfs/dbraw/zinc/00/83/96/569008396.db2.gz VBLREPVEVWFYMU-JOCHJYFZSA-N 1 1 414.594 3.467 50 0 HGAAMO COc1ccc(C[N@H+]2CCN(Cc3c(C)nn(C(C)C)c3C)C[C@H]2CCO)cc1C ZINC000104338489 569008397 /nfs/dbraw/zinc/00/83/97/569008397.db2.gz VBLREPVEVWFYMU-JOCHJYFZSA-N 1 1 414.594 3.467 50 0 HGAAMO COc1ccc(CN2CC[N@@H+](Cc3ccc(-n4cccn4)cc3)C[C@H]2CCO)c(F)c1 ZINC000104452469 569008732 /nfs/dbraw/zinc/00/87/32/569008732.db2.gz SEJLZCMKPILOPA-JOCHJYFZSA-N 1 1 424.520 3.089 50 0 HGAAMO COc1cc(CN2CC[N@@H+](Cc3ccc(OC)c(C)c3)[C@H](CCO)C2)cc(OC)c1 ZINC000104513478 569008893 /nfs/dbraw/zinc/00/88/93/569008893.db2.gz VZTBIYLJWIMUCY-OAQYLSRUSA-N 1 1 414.546 3.090 50 0 HGAAMO Cc1cc(Cl)cc(C)c1OCC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000012885071 569019405 /nfs/dbraw/zinc/01/94/05/569019405.db2.gz HSXYSQLYFZGXRW-UHFFFAOYSA-N 1 1 402.922 3.484 50 0 HGAAMO O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC[N@H+](C2CCSCC2)CC1 ZINC000575616404 569036776 /nfs/dbraw/zinc/03/67/76/569036776.db2.gz JLQZCDMWWLSCSK-UHFFFAOYSA-N 1 1 408.511 3.297 50 0 HGAAMO CC(C)[C@@H](CNC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)[NH+]1CCOCC1 ZINC000012998557 569048874 /nfs/dbraw/zinc/04/88/74/569048874.db2.gz RWOCOSOWZOOJHC-OAQYLSRUSA-N 1 1 410.518 3.417 50 0 HGAAMO Cc1nn(C)c(C)c1CCOC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000239782607 569054547 /nfs/dbraw/zinc/05/45/47/569054547.db2.gz CPPBHCCTXOFCRT-RTBURBONSA-N 1 1 409.452 3.433 50 0 HGAAMO C[N@H+](CC(=O)OCc1nc(-c2ccc(Br)s2)no1)[C@H]1CCSC1 ZINC000089340038 569058663 /nfs/dbraw/zinc/05/86/63/569058663.db2.gz DUYMUEOMVWMSBW-VIFPVBQESA-N 1 1 418.338 3.041 50 0 HGAAMO C[N@@H+](CC(=O)OCc1nc(-c2ccc(Br)s2)no1)[C@H]1CCSC1 ZINC000089340038 569058664 /nfs/dbraw/zinc/05/86/64/569058664.db2.gz DUYMUEOMVWMSBW-VIFPVBQESA-N 1 1 418.338 3.041 50 0 HGAAMO CCc1ccc(CN2CCc3c(C(=O)N4CC[N@H+]5CCC[C@H]5C4)csc3C2)nc1 ZINC000426428209 569072938 /nfs/dbraw/zinc/07/29/38/569072938.db2.gz CVIAXYSFQGJOEG-IBGZPJMESA-N 1 1 410.587 3.184 50 0 HGAAMO CCC[N@H+]1CC[C@H](NC(=O)c2csc3c2CCN(Cc2c(C)noc2C)C3)C1 ZINC000426683799 569073789 /nfs/dbraw/zinc/07/37/89/569073789.db2.gz LBOBTQHPQWCXTD-INIZCTEOSA-N 1 1 402.564 3.125 50 0 HGAAMO O=C(C[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1F)C2=O)N1CCCCCC1 ZINC000426707423 569074010 /nfs/dbraw/zinc/07/40/10/569074010.db2.gz LNQRQQDQLYGXNA-QHCPKHFHSA-N 1 1 401.526 3.043 50 0 HGAAMO CCOC(=O)C1=C(C[NH+]2CCCCC2)N(CC)C(=O)N[C@H]1c1ccc(OC)cc1 ZINC000035991536 569074570 /nfs/dbraw/zinc/07/45/70/569074570.db2.gz LYXVOSHMXABUFP-FQEVSTJZSA-N 1 1 401.507 3.085 50 0 HGAAMO COc1ccc([C@@H](CNS(=O)(=O)c2cccc(Br)c2)[NH+](C)C)cc1 ZINC000006650158 569080518 /nfs/dbraw/zinc/08/05/18/569080518.db2.gz QQNPPTQBJXAKSF-QGZVFWFLSA-N 1 1 413.337 3.039 50 0 HGAAMO COc1ccc(C[N@@H+](Cc2ccco2)C[C@H](O)COCc2ccco2)cc1OC ZINC000036095727 569090011 /nfs/dbraw/zinc/09/00/11/569090011.db2.gz MAXJCHRIANSBEI-SFHVURJKSA-N 1 1 401.459 3.470 50 0 HGAAMO COc1ccc(C[N@H+](Cc2ccco2)C[C@H](O)COCc2ccco2)cc1OC ZINC000036095727 569090014 /nfs/dbraw/zinc/09/00/14/569090014.db2.gz MAXJCHRIANSBEI-SFHVURJKSA-N 1 1 401.459 3.470 50 0 HGAAMO CCCC(=O)OC[C@@H](O)C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cccc(OC)c1 ZINC000036098500 569090813 /nfs/dbraw/zinc/09/08/13/569090813.db2.gz HJMOYUVBLFVWEI-IBGZPJMESA-N 1 1 415.486 3.130 50 0 HGAAMO CC(C)CC[N@@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)C[C@H](O)COC(C)(C)C ZINC000036159185 569102479 /nfs/dbraw/zinc/10/24/79/569102479.db2.gz VOLGSEDHOXYLLS-HNNXBMFYSA-N 1 1 421.607 3.497 50 0 HGAAMO CC(C)CC[N@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)C[C@H](O)COC(C)(C)C ZINC000036159185 569102480 /nfs/dbraw/zinc/10/24/80/569102480.db2.gz VOLGSEDHOXYLLS-HNNXBMFYSA-N 1 1 421.607 3.497 50 0 HGAAMO C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[N@H+](C)Cc1ccc(F)cc1 ZINC000006786852 569121918 /nfs/dbraw/zinc/12/19/18/569121918.db2.gz TYZBRDJWHVWPTI-MRXNPFEDSA-N 1 1 419.522 3.069 50 0 HGAAMO C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[N@@H+](C)Cc1ccc(F)cc1 ZINC000006786852 569121920 /nfs/dbraw/zinc/12/19/20/569121920.db2.gz TYZBRDJWHVWPTI-MRXNPFEDSA-N 1 1 419.522 3.069 50 0 HGAAMO Cc1ccc2c(c1)-c1c(cnn1CC(=O)NCCC[N@H+]1CCc3ccccc3C1)CO2 ZINC000006819693 569139324 /nfs/dbraw/zinc/13/93/24/569139324.db2.gz RAMVMWVMUHYYPZ-UHFFFAOYSA-N 1 1 416.525 3.316 50 0 HGAAMO Cc1c(C(=O)NCC[N@@H+]2CCCC[C@H]2C)sc2nc3n(c(=O)c12)CCCCC3 ZINC000006840745 569151528 /nfs/dbraw/zinc/15/15/28/569151528.db2.gz JBCAQHSIIBFDCD-CQSZACIVSA-N 1 1 402.564 3.097 50 0 HGAAMO CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000006887850 569171429 /nfs/dbraw/zinc/17/14/29/569171429.db2.gz LPCSLLQZVAZTMA-UHFFFAOYSA-N 1 1 419.547 3.215 50 0 HGAAMO CC[NH+]1CCN(C(=O)c2ncoc2-c2ccccc2C(=O)N2CCCCCC2)CC1 ZINC000065080453 569171438 /nfs/dbraw/zinc/17/14/38/569171438.db2.gz DPMIMOKSRMZPNU-UHFFFAOYSA-N 1 1 410.518 3.136 50 0 HGAAMO CSCC[C@@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)Nc1cc(C)cc(C)c1 ZINC000036550917 569199168 /nfs/dbraw/zinc/19/91/68/569199168.db2.gz PDJBLAWXIUPELH-RTWAWAEBSA-N 1 1 411.571 3.194 50 0 HGAAMO O=c1c2cc(-c3ccccc3)nn2ccn1Cc1noc(C[NH+]2CCCCCCC2)n1 ZINC000065235962 569202569 /nfs/dbraw/zinc/20/25/69/569202569.db2.gz HXVCJHIPLGPIDJ-UHFFFAOYSA-N 1 1 418.501 3.360 50 0 HGAAMO CCCCn1c(C[N@H+](C)C2CCCCC2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC000007049101 569211717 /nfs/dbraw/zinc/21/17/17/569211717.db2.gz FOPNNLVMCYEUFQ-UHFFFAOYSA-N 1 1 423.561 3.499 50 0 HGAAMO CCCCn1c(C[N@@H+](C)C2CCCCC2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC000007049101 569211718 /nfs/dbraw/zinc/21/17/18/569211718.db2.gz FOPNNLVMCYEUFQ-UHFFFAOYSA-N 1 1 423.561 3.499 50 0 HGAAMO O=C(C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)NCCc1c[nH]c2ccccc12 ZINC000007362582 569235476 /nfs/dbraw/zinc/23/54/76/569235476.db2.gz QKBDTZNIYNNSGD-NRFANRHFSA-N 1 1 405.498 3.435 50 0 HGAAMO O=C(C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)NCCc1c[nH]c2ccccc12 ZINC000007362582 569235478 /nfs/dbraw/zinc/23/54/78/569235478.db2.gz QKBDTZNIYNNSGD-NRFANRHFSA-N 1 1 405.498 3.435 50 0 HGAAMO CCc1cc(=O)oc2c(C)c(OCC(=O)NC[C@H]3CCC[N@H+]4CCCC[C@@H]34)ccc12 ZINC000170613408 569246878 /nfs/dbraw/zinc/24/68/78/569246878.db2.gz SCXLHWYZRLQMFM-QUCCMNQESA-N 1 1 412.530 3.423 50 0 HGAAMO CCc1cc(=O)oc2c(C)c(OCC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@@H]34)ccc12 ZINC000170613406 569246910 /nfs/dbraw/zinc/24/69/10/569246910.db2.gz SCXLHWYZRLQMFM-ICSRJNTNSA-N 1 1 412.530 3.423 50 0 HGAAMO O=C(COc1ccc2c(c1)oc(=O)c1c2CCCC1)NC[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000170613443 569246934 /nfs/dbraw/zinc/24/69/34/569246934.db2.gz SOZSZWOEIJUELM-VGSWGCGISA-N 1 1 424.541 3.431 50 0 HGAAMO CCn1cc[nH+]c1N1CCN(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000013694495 569257006 /nfs/dbraw/zinc/25/70/06/569257006.db2.gz WAEMDVQEBDUCMC-UHFFFAOYSA-N 1 1 415.847 3.336 50 0 HGAAMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(I)c1 ZINC000014602427 569260490 /nfs/dbraw/zinc/26/04/90/569260490.db2.gz ZTINVCNTDPUGFZ-QGZVFWFLSA-N 1 1 406.267 3.296 50 0 HGAAMO C[C@@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000252444095 569285982 /nfs/dbraw/zinc/28/59/82/569285982.db2.gz LXQILKMADAEJFZ-YJBOKZPZSA-N 1 1 401.507 3.142 50 0 HGAAMO C[C@@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000252444095 569285983 /nfs/dbraw/zinc/28/59/83/569285983.db2.gz LXQILKMADAEJFZ-YJBOKZPZSA-N 1 1 401.507 3.142 50 0 HGAAMO COC(=O)c1cc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]2c2ccsc2)cc(C(=O)OC)c1 ZINC000252452718 569286420 /nfs/dbraw/zinc/28/64/20/569286420.db2.gz YAULYIOEAXKKCI-UGSOOPFHSA-N 1 1 416.499 3.485 50 0 HGAAMO COC(=O)c1cc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]2c2ccsc2)cc(C(=O)OC)c1 ZINC000252452718 569286421 /nfs/dbraw/zinc/28/64/21/569286421.db2.gz YAULYIOEAXKKCI-UGSOOPFHSA-N 1 1 416.499 3.485 50 0 HGAAMO C[NH+]1CCN(c2nc(-c3ccc(S(=O)(=O)N4CCCCCC4)cc3)cs2)CC1 ZINC000007845210 569314332 /nfs/dbraw/zinc/31/43/32/569314332.db2.gz IBLYETYVMOZDSC-UHFFFAOYSA-N 1 1 420.604 3.127 50 0 HGAAMO CC(C)C[NH+]1CCN([C@H]2CCOC3(CCN(C(=O)CC4CCCC4)CC3)C2)CC1 ZINC000581820138 569320955 /nfs/dbraw/zinc/32/09/55/569320955.db2.gz UJVOSMAQRURRKD-QFIPXVFZSA-N 1 1 405.627 3.381 50 0 HGAAMO CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)C[N@@H+]3CCC[C@H](C)C3)c21 ZINC000002262672 569325302 /nfs/dbraw/zinc/32/53/02/569325302.db2.gz LUEVSJIYBKGQMX-AWEZNQCLSA-N 1 1 401.507 3.342 50 0 HGAAMO CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)C[N@H+]3CCC[C@H](C)C3)c21 ZINC000002262672 569325303 /nfs/dbraw/zinc/32/53/03/569325303.db2.gz LUEVSJIYBKGQMX-AWEZNQCLSA-N 1 1 401.507 3.342 50 0 HGAAMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000253426285 569368336 /nfs/dbraw/zinc/36/83/36/569368336.db2.gz ZDFJQXJOIDWWKZ-UHFFFAOYSA-N 1 1 405.768 3.450 50 0 HGAAMO CN(CCCN(C)C(=O)Nc1ccc(Br)c(Cl)c1)CC[NH+](C)C ZINC000253426285 569368337 /nfs/dbraw/zinc/36/83/37/569368337.db2.gz ZDFJQXJOIDWWKZ-UHFFFAOYSA-N 1 1 405.768 3.450 50 0 HGAAMO COC1CCN(c2ccc(C(=O)N3CC([N@@H+]4CCc5ccccc5C4)C3)cc2)CC1 ZINC000253472681 569381616 /nfs/dbraw/zinc/38/16/16/569381616.db2.gz OLQOCTYXWBDCJD-UHFFFAOYSA-N 1 1 405.542 3.185 50 0 HGAAMO COC1CCN(c2ccc(C(=O)N3CC([N@H+]4CCc5ccccc5C4)C3)cc2)CC1 ZINC000253472681 569381618 /nfs/dbraw/zinc/38/16/18/569381618.db2.gz OLQOCTYXWBDCJD-UHFFFAOYSA-N 1 1 405.542 3.185 50 0 HGAAMO COCCN(CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(=O)OC(C)(C)C ZINC000079024577 569424670 /nfs/dbraw/zinc/42/46/70/569424670.db2.gz VBXPKKYANUBTPK-UYAOXDASSA-N 1 1 419.566 3.039 50 0 HGAAMO C[C@H](NC(=O)N1CC[NH+](Cc2ccccc2)CC1)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000079478745 569431677 /nfs/dbraw/zinc/43/16/77/569431677.db2.gz AMLHYRIRWRPIKV-KRWDZBQOSA-N 1 1 405.502 3.022 50 0 HGAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1c(C)oc2ncn(CC(C)C)c(=O)c21 ZINC000008596595 571088003 /nfs/dbraw/zinc/08/80/03/571088003.db2.gz QDMGUGMUXJHMBS-QGZVFWFLSA-N 1 1 402.539 3.338 50 0 HGAAMO Nc1ncc(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3F)C2)c(-c2ccccc2)n1 ZINC000670473757 571102639 /nfs/dbraw/zinc/10/26/39/571102639.db2.gz ZTYILJLUTIMCEZ-SFHVURJKSA-N 1 1 405.477 3.259 50 0 HGAAMO Nc1ncc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)c(-c2ccccc2)n1 ZINC000670473757 571102641 /nfs/dbraw/zinc/10/26/41/571102641.db2.gz ZTYILJLUTIMCEZ-SFHVURJKSA-N 1 1 405.477 3.259 50 0 HGAAMO COC(=O)c1cccc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000040142890 571193488 /nfs/dbraw/zinc/19/34/88/571193488.db2.gz BDCWVCZUIKEQNR-UHFFFAOYSA-N 1 1 415.493 3.416 50 0 HGAAMO Cc1sc2nc(-c3cccs3)nc(N3CCC[N@H+](CC(N)=O)CC3)c2c1C ZINC000040155533 571202769 /nfs/dbraw/zinc/20/27/69/571202769.db2.gz XYPQBMVCLOGAQS-UHFFFAOYSA-N 1 1 401.561 3.034 50 0 HGAAMO Cc1sc2nc(-c3cccs3)nc(N3CCC[N@@H+](CC(N)=O)CC3)c2c1C ZINC000040155533 571202770 /nfs/dbraw/zinc/20/27/70/571202770.db2.gz XYPQBMVCLOGAQS-UHFFFAOYSA-N 1 1 401.561 3.034 50 0 HGAAMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCCC1 ZINC000040156065 571203099 /nfs/dbraw/zinc/20/30/99/571203099.db2.gz CDDVKCDRQLFNHI-INIZCTEOSA-N 1 1 407.518 3.084 50 0 HGAAMO CCOc1ccc(N2C[C@@H](C(=O)NCCCC[N@H+]3CCCC[C@H]3C)CC2=O)cc1 ZINC000245225262 571217708 /nfs/dbraw/zinc/21/77/08/571217708.db2.gz QXHIVMDJNHJBNT-MOPGFXCFSA-N 1 1 401.551 3.209 50 0 HGAAMO O=C(C[NH+]1CCC(C(=O)NCc2c(F)cccc2F)CC1)Nc1ccc(F)cc1 ZINC000009068246 571218221 /nfs/dbraw/zinc/21/82/21/571218221.db2.gz ORSZCJBKTGSJIH-UHFFFAOYSA-N 1 1 405.420 3.071 50 0 HGAAMO O=C(C[N@H+]1CC[C@@H](c2ccccc2)C1)NC1CCN(C(=O)CCc2ccccc2)CC1 ZINC000069569987 571230384 /nfs/dbraw/zinc/23/03/84/571230384.db2.gz LIYXUXZRZGUCII-HSZRJFAPSA-N 1 1 419.569 3.216 50 0 HGAAMO Cc1ccccc1C(=O)NC1CCN(C(=O)C[N@H+]2CC[C@H](c3ccccc3)C2)CC1 ZINC000069620799 571234548 /nfs/dbraw/zinc/23/45/48/571234548.db2.gz LWJKVCUKLNURFR-NRFANRHFSA-N 1 1 405.542 3.205 50 0 HGAAMO O=C(C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)Nc1ccc2c(c1)OCCCO2 ZINC000009503552 571263530 /nfs/dbraw/zinc/26/35/30/571263530.db2.gz BUOJIPGXRLCQKC-UHFFFAOYSA-N 1 1 409.486 3.137 50 0 HGAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)CCCN1C(=O)COc2ccc(C)cc21 ZINC000006751242 132314898 /nfs/dbraw/zinc/31/48/98/132314898.db2.gz GZCFCTYHVCLPKN-LJQANCHMSA-N 1 1 401.551 3.271 50 0 HGAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)CCC(=O)N1C[C@H](C)Oc2ccccc21 ZINC000006798320 132317226 /nfs/dbraw/zinc/31/72/26/132317226.db2.gz NTEYKFUGBCPPGP-OALUTQOASA-N 1 1 401.551 3.352 50 0 HGAAMO CCOC(=O)[C@@H]1CCCC[N@@H+]1C1CCN(c2nc(C)c3ccc(OC)cc3n2)CC1 ZINC000012099017 132353919 /nfs/dbraw/zinc/35/39/19/132353919.db2.gz LYJBVCUEYINOST-NRFANRHFSA-N 1 1 412.534 3.333 50 0 HGAAMO CCOC(=O)[C@@H]1CCCC[N@H+]1C1CCN(c2nc(C)c3ccc(OC)cc3n2)CC1 ZINC000012099017 132353922 /nfs/dbraw/zinc/35/39/22/132353922.db2.gz LYJBVCUEYINOST-NRFANRHFSA-N 1 1 412.534 3.333 50 0 HGAAMO CCC[NH+]1CCN(C(=O)CSc2nnc(C)c3c(C)n(-c4ccccc4)nc32)CC1 ZINC000020564955 519856019 /nfs/dbraw/zinc/85/60/19/519856019.db2.gz SXRVDOVXLQCQCA-UHFFFAOYSA-N 1 1 424.574 3.079 50 0 HGAAMO COc1ccc(-c2n[nH]cc2CN2CC[N@@H+](Cc3ccccc3)[C@H](CCO)C2)cc1 ZINC000043135952 523182944 /nfs/dbraw/zinc/18/29/44/523182944.db2.gz GQEKMTJEVCMSGA-JOCHJYFZSA-N 1 1 406.530 3.154 50 0 HGAAMO C[C@@H]1CCc2c(sc3nc(CC[NH+]4CCN(c5ccccc5O)CC4)nc(N)c23)C1 ZINC000032850907 524725177 /nfs/dbraw/zinc/72/51/77/524725177.db2.gz SLGCWWDFWBLUPO-OAHLLOKOSA-N 1 1 423.586 3.469 50 0 HGAAMO Cc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1 ZINC000032754406 525821139 /nfs/dbraw/zinc/82/11/39/525821139.db2.gz LVIXYRWBOCQZHQ-FQEVSTJZSA-N 1 1 401.532 3.021 50 0 HGAAMO Cc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1 ZINC000032754406 525821153 /nfs/dbraw/zinc/82/11/53/525821153.db2.gz LVIXYRWBOCQZHQ-FQEVSTJZSA-N 1 1 401.532 3.021 50 0 HGAAMO CC[N@H+]1CCC[C@@H]1CN/C=C1\c2ccccc2C(=O)N(c2ccc(OC)cc2)C1=O ZINC000002197453 535549972 /nfs/dbraw/zinc/54/99/72/535549972.db2.gz PBEUJHKXZRRKLN-IPEVAPCJSA-N 1 1 405.498 3.297 50 0 HGAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)CCC(=O)N2C[C@@H](C)Oc3ccccc32)C1 ZINC000015942055 557015966 /nfs/dbraw/zinc/01/59/66/557015966.db2.gz RKRQHGNWAYNPFJ-CEXWTWQISA-N 1 1 401.551 3.065 50 0 HGAAMO Cc1c(C(=O)N(C)Cc2ccco2)nnn1-c1cccc2c1CC[N@@H+](CC1CC1)C2 ZINC000071890401 557314876 /nfs/dbraw/zinc/31/48/76/557314876.db2.gz PZBVHGCZVBRVJN-UHFFFAOYSA-N 1 1 405.502 3.209 50 0 HGAAMO COC[C@H]1CC[N@@H+](Cc2c(C(=O)N(C)CCc3ccccc3)nc3sccn23)C1 ZINC000011819913 558283411 /nfs/dbraw/zinc/28/34/11/558283411.db2.gz HQDWGQYFKLVOGE-SFHVURJKSA-N 1 1 412.559 3.179 50 0 HGAAMO O=C(NCC[N@@H+]1CCC[C@@H](O)C1)c1ccc2oc(CCCc3ccccc3)nc2c1 ZINC000011874266 558291910 /nfs/dbraw/zinc/29/19/10/558291910.db2.gz OVWWZEACKPOGKE-HXUWFJFHSA-N 1 1 407.514 3.190 50 0 HGAAMO CCOc1ccc(C[NH+]2CCN(Cc3ccc(OC)c(OC)c3OC)CC2)cc1 ZINC000019850778 558295659 /nfs/dbraw/zinc/29/56/59/558295659.db2.gz YIFAKMZXBMFOQO-UHFFFAOYSA-N 1 1 400.519 3.429 50 0 HGAAMO C[NH+](C)CCNC(=O)c1ccc(OC2CCN(Cc3cccnc3)CC2)c(Cl)c1 ZINC000011937437 558301125 /nfs/dbraw/zinc/30/11/25/558301125.db2.gz OOZGHHHHCLECJM-UHFFFAOYSA-N 1 1 416.953 3.070 50 0 HGAAMO COc1ccccc1CN(C)Cc1ccc(OC[C@H](O)C[N@H+](C)C(C)C)c(OC)c1 ZINC000012024414 558309995 /nfs/dbraw/zinc/30/99/95/558309995.db2.gz XDFFFJUUCMPHDA-OAQYLSRUSA-N 1 1 416.562 3.416 50 0 HGAAMO COc1ccccc1CN(C)Cc1ccc(OC[C@H](O)C[N@@H+](C)C(C)C)c(OC)c1 ZINC000012024414 558309997 /nfs/dbraw/zinc/30/99/97/558309997.db2.gz XDFFFJUUCMPHDA-OAQYLSRUSA-N 1 1 416.562 3.416 50 0 HGAAMO C[C@@H]1C[N@H+](CCC(=O)NCCCOc2cccnc2)Cc2cc(Cl)ccc2O1 ZINC000012056519 558315909 /nfs/dbraw/zinc/31/59/09/558315909.db2.gz ZVGDFZREQGWRKB-MRXNPFEDSA-N 1 1 403.910 3.293 50 0 HGAAMO C[C@@H]1C[N@@H+](CCC(=O)NCCCOc2cccnc2)Cc2cc(Cl)ccc2O1 ZINC000012056519 558315910 /nfs/dbraw/zinc/31/59/10/558315910.db2.gz ZVGDFZREQGWRKB-MRXNPFEDSA-N 1 1 403.910 3.293 50 0 HGAAMO Cc1nc(NCc2ccc(F)cc2)sc1-c1ccn(CC[NH+]2CCOCC2)n1 ZINC000020201610 558345558 /nfs/dbraw/zinc/34/55/58/558345558.db2.gz ILCMUXZXRGJYBB-UHFFFAOYSA-N 1 1 401.511 3.398 50 0 HGAAMO COc1cccc(C(=O)N[C@@H](C)c2nnc3n2CC[N@H+](Cc2ccccc2C)CC3)c1 ZINC000020452904 558367074 /nfs/dbraw/zinc/36/70/74/558367074.db2.gz LBCKFTJFANNETE-SFHVURJKSA-N 1 1 419.529 3.144 50 0 HGAAMO Cc1cc(C(=O)N(C[C@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)n[nH]1 ZINC000012302841 558372411 /nfs/dbraw/zinc/37/24/11/558372411.db2.gz BZFGKJDYQKDVKV-HSZRJFAPSA-N 1 1 422.573 3.219 50 0 HGAAMO CN(Cc1ccccc1)C(=O)c1nc2ccccn2c1C[NH2+]Cc1[nH]nc2c1CCC2 ZINC000012305010 558374304 /nfs/dbraw/zinc/37/43/04/558374304.db2.gz UWIDJNDWXIEMMG-UHFFFAOYSA-N 1 1 414.513 3.108 50 0 HGAAMO COc1cc(C(C)=O)ccc1OCCOCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000020500178 558380735 /nfs/dbraw/zinc/38/07/35/558380735.db2.gz RPOFMTFFHDLXLJ-UHFFFAOYSA-N 1 1 412.530 3.111 50 0 HGAAMO Cc1c2oc3c(c2cc2c(C)c(CC(=O)N4CC[NH+](C)CC4)c(=O)oc12)CCCC3 ZINC000020650972 558397792 /nfs/dbraw/zinc/39/77/92/558397792.db2.gz FWKHVTLPFHQOCW-UHFFFAOYSA-N 1 1 408.498 3.351 50 0 HGAAMO Cc1cccc(C[N@@H+]2CCc3nnc([C@@H](C)NC(=O)CCc4ccccc4)n3CC2)c1 ZINC000020780732 558412811 /nfs/dbraw/zinc/41/28/11/558412811.db2.gz MTTDZHVUJKFOJC-HXUWFJFHSA-N 1 1 417.557 3.455 50 0 HGAAMO CCc1c(C(=O)N(C)Cc2nc(C)cs2)c(=O)cc(C)n1C[C@H]1CCC[N@@H+]1CC ZINC000012454977 558416929 /nfs/dbraw/zinc/41/69/29/558416929.db2.gz ORUROSIGRLQQGM-QGZVFWFLSA-N 1 1 416.591 3.241 50 0 HGAAMO O=C(c1nc2sccn2c1CN1CC[NH+](Cc2cccs2)CC1)N1CCCC1 ZINC000020906075 558420798 /nfs/dbraw/zinc/42/07/98/558420798.db2.gz DEEQYQAFQMWYIY-UHFFFAOYSA-N 1 1 415.588 3.011 50 0 HGAAMO [NH2+]=C1Nc2nc3cc4c(cc3n2[C@H](c2cccc(Br)c2)N1)OCCCO4 ZINC000012630165 558441566 /nfs/dbraw/zinc/44/15/66/558441566.db2.gz PCTKVFPJHVUVNW-MRXNPFEDSA-N 1 1 414.263 3.056 50 0 HGAAMO COc1ccccc1CNCc1ccc(OC[C@@H](O)C[N@H+](C)C(C)C)c(OC)c1 ZINC000012750969 558459090 /nfs/dbraw/zinc/45/90/90/558459090.db2.gz ZFRZXFIGUHQHHB-FQEVSTJZSA-N 1 1 402.535 3.074 50 0 HGAAMO COc1ccccc1CNCc1ccc(OC[C@@H](O)C[N@@H+](C)C(C)C)c(OC)c1 ZINC000012750969 558459093 /nfs/dbraw/zinc/45/90/93/558459093.db2.gz ZFRZXFIGUHQHHB-FQEVSTJZSA-N 1 1 402.535 3.074 50 0 HGAAMO Cc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3F)C2)cc1N1CCNC1=O ZINC000012758601 558460588 /nfs/dbraw/zinc/46/05/88/558460588.db2.gz MTKXDIRRSFTZQM-FQEVSTJZSA-N 1 1 424.520 3.400 50 0 HGAAMO Cc1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)cc1N1CCNC1=O ZINC000012758601 558460592 /nfs/dbraw/zinc/46/05/92/558460592.db2.gz MTKXDIRRSFTZQM-FQEVSTJZSA-N 1 1 424.520 3.400 50 0 HGAAMO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000012819179 558476504 /nfs/dbraw/zinc/47/65/04/558476504.db2.gz LSYMDDWUFMOJJJ-HNNXBMFYSA-N 1 1 401.457 3.320 50 0 HGAAMO C[C@@H]1C[C@H](C)C[N@@H+](Cc2csc(NC(=O)CCNC(=O)c3ccccc3)n2)C1 ZINC000022292759 558476827 /nfs/dbraw/zinc/47/68/27/558476827.db2.gz JJTZYKKOBJZXOW-IYBDPMFKSA-N 1 1 400.548 3.380 50 0 HGAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2csc(NC(=O)CCNC(=O)c3ccccc3)n2)C1 ZINC000022292759 558476829 /nfs/dbraw/zinc/47/68/29/558476829.db2.gz JJTZYKKOBJZXOW-IYBDPMFKSA-N 1 1 400.548 3.380 50 0 HGAAMO C[C@@H]1C[C@H](C)C[N@@H+](Cc2csc(NC(=O)c3cccc(CS(C)(=O)=O)c3)n2)C1 ZINC000022295078 558476975 /nfs/dbraw/zinc/47/69/75/558476975.db2.gz IFFXFOMOZVGDEG-GASCZTMLSA-N 1 1 421.588 3.418 50 0 HGAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2csc(NC(=O)c3cccc(CS(C)(=O)=O)c3)n2)C1 ZINC000022295078 558476979 /nfs/dbraw/zinc/47/69/79/558476979.db2.gz IFFXFOMOZVGDEG-GASCZTMLSA-N 1 1 421.588 3.418 50 0 HGAAMO COc1ccc(NC(=O)C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)cc1Cl ZINC000012943110 558487294 /nfs/dbraw/zinc/48/72/94/558487294.db2.gz YTGIELYCXROEEX-UHFFFAOYSA-N 1 1 407.942 3.402 50 0 HGAAMO COc1ccc(N2C(=O)C[C@@H]([N@H+](C)Cc3ccc(SC)cc3)C2=O)c(OC)c1 ZINC000022729885 558506506 /nfs/dbraw/zinc/50/65/06/558506506.db2.gz YPODSXCCZXIPMW-GOSISDBHSA-N 1 1 400.500 3.190 50 0 HGAAMO COc1ccc(N2C(=O)C[C@@H]([N@@H+](C)Cc3ccc(SC)cc3)C2=O)c(OC)c1 ZINC000022729885 558506508 /nfs/dbraw/zinc/50/65/08/558506508.db2.gz YPODSXCCZXIPMW-GOSISDBHSA-N 1 1 400.500 3.190 50 0 HGAAMO COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000022799454 558512698 /nfs/dbraw/zinc/51/26/98/558512698.db2.gz NNXKJOGRRFBOQO-URXFXBBRSA-N 1 1 423.557 3.480 50 0 HGAAMO Cc1ccc([C@H](CNC(=O)c2cc(-c3ccc(C)cc3)on2)N2CC[NH+](C)CC2)o1 ZINC000022938486 558527741 /nfs/dbraw/zinc/52/77/41/558527741.db2.gz XKCANDMMFQLQMX-FQEVSTJZSA-N 1 1 408.502 3.270 50 0 HGAAMO CCOc1ccc(C[N@@H+]2CCN(Cc3cc(OC)ccc3OC)C[C@@H]2CCO)cc1 ZINC000023360645 558552146 /nfs/dbraw/zinc/55/21/46/558552146.db2.gz HRPZILAMZSWTGJ-NRFANRHFSA-N 1 1 414.546 3.171 50 0 HGAAMO CCOc1ccc(C[N@H+]2CCN(Cc3cc(OC)ccc3OC)C[C@@H]2CCO)cc1 ZINC000023360645 558552148 /nfs/dbraw/zinc/55/21/48/558552148.db2.gz HRPZILAMZSWTGJ-NRFANRHFSA-N 1 1 414.546 3.171 50 0 HGAAMO Cc1nc(-c2ccccc2)nc2sc3c(nnn(CC[NH+]4CCCCC4)c3=O)c21 ZINC000013656527 558559329 /nfs/dbraw/zinc/55/93/29/558559329.db2.gz QSNFTMIAEZHINN-UHFFFAOYSA-N 1 1 406.515 3.258 50 0 HGAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1sc(-c2cc(OC)c(OC)c(OC)c2)nc1C ZINC000013723943 558583497 /nfs/dbraw/zinc/58/34/97/558583497.db2.gz JFSUGZAYAXUPDW-HNNXBMFYSA-N 1 1 419.547 3.358 50 0 HGAAMO CN(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C(=O)Nc1cccc(Cl)c1 ZINC000013730281 558586333 /nfs/dbraw/zinc/58/63/33/558586333.db2.gz GDHKLXUOUAHUTL-UHFFFAOYSA-N 1 1 400.910 3.148 50 0 HGAAMO O=C(Nc1ccc2c(c1)OCO2)C1CC[NH+](Cc2nc(-c3ccsc3)no2)CC1 ZINC000014019676 558614071 /nfs/dbraw/zinc/61/40/71/558614071.db2.gz SASBGKQSKGZTAL-UHFFFAOYSA-N 1 1 412.471 3.378 50 0 HGAAMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)NCc2ccc(OC(F)(F)F)cc2)C[C@@H](C)O1 ZINC000024970817 558623150 /nfs/dbraw/zinc/62/31/50/558623150.db2.gz KBUWGHGYYRLVIY-ZIAGYGMSSA-N 1 1 403.445 3.272 50 0 HGAAMO O=C(CN1CCC[N@H+](Cc2ccc(F)cc2)CC1)Nc1ccc2c(c1)OCCCO2 ZINC000025072330 558630324 /nfs/dbraw/zinc/63/03/24/558630324.db2.gz NGMNSPWEIRLPSA-UHFFFAOYSA-N 1 1 413.493 3.133 50 0 HGAAMO CC(C)CNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)C[N@@H+](Cc2ccncc2)C1 ZINC000014543196 558660786 /nfs/dbraw/zinc/66/07/86/558660786.db2.gz JUMPLJZRXXKUJL-RBUKOAKNSA-N 1 1 412.509 3.070 50 0 HGAAMO C[N@@H+](CCn1nc2ccccn2c1=O)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000026905981 558666735 /nfs/dbraw/zinc/66/67/35/558666735.db2.gz CZNGOHISZGJRLQ-UHFFFAOYSA-N 1 1 424.508 3.481 50 0 HGAAMO Cc1nc(-c2ccccc2)[nH]c(=O)c1CCC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000026937093 558667466 /nfs/dbraw/zinc/66/74/66/558667466.db2.gz LXCITDCWSBDZKI-QFIPXVFZSA-N 1 1 416.525 3.193 50 0 HGAAMO Cc1nc(-c2ccccc2)[nH]c(=O)c1CCC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000026937093 558667470 /nfs/dbraw/zinc/66/74/70/558667470.db2.gz LXCITDCWSBDZKI-QFIPXVFZSA-N 1 1 416.525 3.193 50 0 HGAAMO CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H]([N@@H+](C)Cc1ccsc1)C2 ZINC000014745995 558669181 /nfs/dbraw/zinc/66/91/81/558669181.db2.gz JRIIHWCMYIFXPM-MRXNPFEDSA-N 1 1 404.605 3.143 50 0 HGAAMO O=C1CC[C@H]([N@H+]2CC[C@@H]3CCCC[C@H]3C2)CCN1CCS(=O)(=O)c1ccccc1 ZINC000014880700 558675935 /nfs/dbraw/zinc/67/59/35/558675935.db2.gz APIRVROOOUCCJO-ACRUOGEOSA-N 1 1 418.603 3.354 50 0 HGAAMO O=C(CCN1CCCCCC1=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(F)cc1)C2 ZINC000014947910 558679932 /nfs/dbraw/zinc/67/99/32/558679932.db2.gz RYEFXUWACAHGQY-DEOSSOPVSA-N 1 1 415.553 3.433 50 0 HGAAMO C[C@@H]1CCCN(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1 ZINC000028082814 558690895 /nfs/dbraw/zinc/69/08/95/558690895.db2.gz LRUKYMGEKUULNA-HXUWFJFHSA-N 1 1 413.587 3.370 50 0 HGAAMO Cc1cc(C(=O)NCc2nnc3n2CC[N@H+](CC[C@@H](C)c2ccccc2)CC3)c(C)o1 ZINC000014996574 558696254 /nfs/dbraw/zinc/69/62/54/558696254.db2.gz YPZMMPVIDCURJA-QGZVFWFLSA-N 1 1 421.545 3.470 50 0 HGAAMO C[N@@H+](Cc1c(C(=O)N2CCCCC2)nc2sccn12)C[C@@H]1Cc2ccccc2O1 ZINC000015080642 558718616 /nfs/dbraw/zinc/71/86/16/558718616.db2.gz DMQXDUVMZYCRMZ-KRWDZBQOSA-N 1 1 410.543 3.457 50 0 HGAAMO C[N@H+](Cc1c(C(=O)N2CCCCC2)nc2sccn12)C[C@@H]1Cc2ccccc2O1 ZINC000015080642 558718620 /nfs/dbraw/zinc/71/86/20/558718620.db2.gz DMQXDUVMZYCRMZ-KRWDZBQOSA-N 1 1 410.543 3.457 50 0 HGAAMO O=C(CCNC(=O)c1ccccc1Cl)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000030897101 558744264 /nfs/dbraw/zinc/74/42/64/558744264.db2.gz KWXUOMZRBKCEOB-UHFFFAOYSA-N 1 1 417.912 3.334 50 0 HGAAMO O=C(CCNC(=O)c1ccccc1Cl)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000030897101 558744266 /nfs/dbraw/zinc/74/42/66/558744266.db2.gz KWXUOMZRBKCEOB-UHFFFAOYSA-N 1 1 417.912 3.334 50 0 HGAAMO C[N@@H+](Cc1ccccc1)CC(C)(C)CNCc1cccnc1N1CCC(C(N)=O)CC1 ZINC000072309906 558778686 /nfs/dbraw/zinc/77/86/86/558778686.db2.gz HALCJLHCZAFPJQ-UHFFFAOYSA-N 1 1 423.605 3.031 50 0 HGAAMO Cc1ccc(CNC(=O)C[N@@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000016422325 558790343 /nfs/dbraw/zinc/79/03/43/558790343.db2.gz QDFIHNXAJBYYEB-UHFFFAOYSA-N 1 1 406.452 3.237 50 0 HGAAMO Cc1ccc(CNC(=O)C[N@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000016422325 558790345 /nfs/dbraw/zinc/79/03/45/558790345.db2.gz QDFIHNXAJBYYEB-UHFFFAOYSA-N 1 1 406.452 3.237 50 0 HGAAMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1cc(=O)c2cc(Cl)ccc2o1 ZINC000016680365 558799196 /nfs/dbraw/zinc/79/91/96/558799196.db2.gz RKDQEOYAIOCQME-UHFFFAOYSA-N 1 1 412.873 3.209 50 0 HGAAMO C[N@H+](CCOc1ccc(Br)cc1)CC(=O)N1CCc2ccccc2C1 ZINC000016695697 558801159 /nfs/dbraw/zinc/80/11/59/558801159.db2.gz UBHYPEQRCUFAEF-UHFFFAOYSA-N 1 1 403.320 3.345 50 0 HGAAMO C[N@@H+](CCOc1ccc(Br)cc1)CC(=O)N1CCc2ccccc2C1 ZINC000016695697 558801161 /nfs/dbraw/zinc/80/11/61/558801161.db2.gz UBHYPEQRCUFAEF-UHFFFAOYSA-N 1 1 403.320 3.345 50 0 HGAAMO Cc1c(C(=O)NC(C)C)nnn1-c1cccc2c1CC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000071889487 558807999 /nfs/dbraw/zinc/80/79/99/558807999.db2.gz FMTGFDWIJHHXBI-UHFFFAOYSA-N 1 1 407.493 3.411 50 0 HGAAMO COc1cccc(N2CCC([N@H+]3CCN(CCc4ccccc4)[C@H](CCO)C3)CC2)c1 ZINC000039430476 558821136 /nfs/dbraw/zinc/82/11/36/558821136.db2.gz RTLBXEILTLGVTR-RUZDIDTESA-N 1 1 423.601 3.275 50 0 HGAAMO COc1cccc(N2CCC(N3CC[N@H+](CCc4ccccc4)[C@H](CCO)C3)CC2)c1 ZINC000039430476 558821141 /nfs/dbraw/zinc/82/11/41/558821141.db2.gz RTLBXEILTLGVTR-RUZDIDTESA-N 1 1 423.601 3.275 50 0 HGAAMO COc1cccc(N2CCC(N3CC[N@@H+](CCc4ccccc4)[C@H](CCO)C3)CC2)c1 ZINC000039430476 558821143 /nfs/dbraw/zinc/82/11/43/558821143.db2.gz RTLBXEILTLGVTR-RUZDIDTESA-N 1 1 423.601 3.275 50 0 HGAAMO COc1ccc(CN2CC[N@H+](Cc3ccc(F)cc3)[C@H](CCO)C2)c(OC)c1C ZINC000039558109 558822416 /nfs/dbraw/zinc/82/24/16/558822416.db2.gz JCSZWLGYXRHVHH-OAQYLSRUSA-N 1 1 402.510 3.220 50 0 HGAAMO COc1ccc(CN2CC[N@@H+](Cc3ccc(F)cc3)[C@H](CCO)C2)c(OC)c1C ZINC000039558109 558822418 /nfs/dbraw/zinc/82/24/18/558822418.db2.gz JCSZWLGYXRHVHH-OAQYLSRUSA-N 1 1 402.510 3.220 50 0 HGAAMO COc1ccc(C[N@@H+]2CCN(Cc3ccc(F)cc3)[C@H](CCO)C2)c(OC)c1C ZINC000039558109 558822420 /nfs/dbraw/zinc/82/24/20/558822420.db2.gz JCSZWLGYXRHVHH-OAQYLSRUSA-N 1 1 402.510 3.220 50 0 HGAAMO COc1ccc(C[N@H+]2CCN(Cc3ccc(F)cc3)[C@H](CCO)C2)c(OC)c1C ZINC000039558109 558822422 /nfs/dbraw/zinc/82/24/22/558822422.db2.gz JCSZWLGYXRHVHH-OAQYLSRUSA-N 1 1 402.510 3.220 50 0 HGAAMO CCc1nnc(C(=O)Nc2cccc(C(=O)NCCC[N@H+]3CCCC[C@@H]3C)c2)s1 ZINC000033022452 558837555 /nfs/dbraw/zinc/83/75/55/558837555.db2.gz PGBNIWXEDNSPBU-HNNXBMFYSA-N 1 1 415.563 3.347 50 0 HGAAMO Cc1nnc(C(=O)Nc2cccc(C(=O)NCCC[N@@H+]3CCCC[C@@H]3C)c2)s1 ZINC000033022605 558837892 /nfs/dbraw/zinc/83/78/92/558837892.db2.gz IEXIAUCNMPXZNB-AWEZNQCLSA-N 1 1 401.536 3.093 50 0 HGAAMO CC[NH+]1CCN(C(=O)CCc2c(C)c3c(C)nn(-c4ccccc4)c3nc2OC)CC1 ZINC000046006636 558838904 /nfs/dbraw/zinc/83/89/04/558838904.db2.gz XWTLJKDDRWTQOM-UHFFFAOYSA-N 1 1 421.545 3.143 50 0 HGAAMO CC(C)[N@@H+](CCCNS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)C1CCCCC1 ZINC000033077195 558868429 /nfs/dbraw/zinc/86/84/29/558868429.db2.gz GTPOHBOTMZCOLK-UHFFFAOYSA-N 1 1 405.564 3.240 50 0 HGAAMO CSCC(=O)N1CCC[C@@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000055183345 558875342 /nfs/dbraw/zinc/87/53/42/558875342.db2.gz CEYWQMNLXJBOQH-QGZVFWFLSA-N 1 1 401.498 3.181 50 0 HGAAMO COc1ccc(CC[N@H+]2CCC[C@@H](CN(C)Cc3ccccc3OCCO)C2)cc1 ZINC000055271057 558878156 /nfs/dbraw/zinc/87/81/56/558878156.db2.gz UCSATZJODPQPHG-QFIPXVFZSA-N 1 1 412.574 3.453 50 0 HGAAMO NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)COc3ccccc3Cl)cc2)C1 ZINC000058326802 558919758 /nfs/dbraw/zinc/91/97/58/558919758.db2.gz HOKAXCTUVWSATM-INIZCTEOSA-N 1 1 401.894 3.055 50 0 HGAAMO COc1ccc(Cl)cc1NC(=O)N1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC000072117415 558927240 /nfs/dbraw/zinc/92/72/40/558927240.db2.gz ZCFUOUZZYLDPKM-UHFFFAOYSA-N 1 1 416.913 3.093 50 0 HGAAMO C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000060377485 558942474 /nfs/dbraw/zinc/94/24/74/558942474.db2.gz BFMPROPBLIXKCV-QGZVFWFLSA-N 1 1 421.545 3.027 50 0 HGAAMO C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000060377485 558942478 /nfs/dbraw/zinc/94/24/78/558942478.db2.gz BFMPROPBLIXKCV-QGZVFWFLSA-N 1 1 421.545 3.027 50 0 HGAAMO Cc1cccn2c(C[N@H+]3CC=C(c4ccccc4)CC3)c(C(=O)N3CCOCC3)nc12 ZINC000019595580 558946079 /nfs/dbraw/zinc/94/60/79/558946079.db2.gz RNTXEENOKCVYNG-UHFFFAOYSA-N 1 1 416.525 3.404 50 0 HGAAMO Cc1cccn2c(C[N@@H+]3CC=C(c4ccccc4)CC3)c(C(=O)N3CCOCC3)nc12 ZINC000019595580 558946080 /nfs/dbraw/zinc/94/60/80/558946080.db2.gz RNTXEENOKCVYNG-UHFFFAOYSA-N 1 1 416.525 3.404 50 0 HGAAMO COc1ccccc1N1CCN([C@@H]2CCC[N@H+](C3CSCCSC3)C2)CC1 ZINC000019595242 558946126 /nfs/dbraw/zinc/94/61/26/558946126.db2.gz MZPUUJJAWPNVAV-GOSISDBHSA-N 1 1 407.649 3.130 50 0 HGAAMO CCC[N@@H+](Cc1cc(OC)c(OC)c(OC)c1)Cc1cc(=O)n2ccsc2n1 ZINC000033068983 558980754 /nfs/dbraw/zinc/98/07/54/558980754.db2.gz VKPRSXGNJREYFT-UHFFFAOYSA-N 1 1 403.504 3.194 50 0 HGAAMO Cc1cccc(-c2nc3cc4c(cc3cc2C[N@@H+]2CCO[C@H](C(N)=O)C2)CCC4)c1 ZINC000072448585 558982936 /nfs/dbraw/zinc/98/29/36/558982936.db2.gz HIXAQNIXEDTTBS-QHCPKHFHSA-N 1 1 401.510 3.385 50 0 HGAAMO Cc1cccc(-c2nc3cc4c(cc3cc2C[N@H+]2CCO[C@H](C(N)=O)C2)CCC4)c1 ZINC000072448585 558982938 /nfs/dbraw/zinc/98/29/38/558982938.db2.gz HIXAQNIXEDTTBS-QHCPKHFHSA-N 1 1 401.510 3.385 50 0 HGAAMO C[N@H+](CC(=O)NCc1ccccc1OC(F)(F)F)Cc1ccc2c(c1)OCCO2 ZINC000011231767 558987024 /nfs/dbraw/zinc/98/70/24/558987024.db2.gz ZLMFRGHMLNPRKH-UHFFFAOYSA-N 1 1 410.392 3.105 50 0 HGAAMO C[N@@H+](CC(=O)NCc1ccccc1OC(F)(F)F)Cc1ccc2c(c1)OCCO2 ZINC000011231767 558987025 /nfs/dbraw/zinc/98/70/25/558987025.db2.gz ZLMFRGHMLNPRKH-UHFFFAOYSA-N 1 1 410.392 3.105 50 0 HGAAMO Cc1cccc(-c2ccc(C[N@H+]3CC[C@@H](NC(=O)c4ccncc4)[C@H](O)C3)cc2)c1 ZINC000077302832 559000976 /nfs/dbraw/zinc/00/09/76/559000976.db2.gz VANOQAJLCBZATA-DNQXCXABSA-N 1 1 401.510 3.422 50 0 HGAAMO COc1cc2cc(C[N@@H+](C)C[C@@H](O)CO)c(-c3cccc(Cl)c3)nc2cc1OC ZINC000077505934 559007725 /nfs/dbraw/zinc/00/77/25/559007725.db2.gz HEDWCHSKLFNNDV-GOSISDBHSA-N 1 1 416.905 3.357 50 0 HGAAMO COc1ccc(C[N@H+]2CCC[C@]3(CCC(=O)N(CCc4c[nH]cn4)C3)C2)c(F)c1 ZINC000082097415 559037470 /nfs/dbraw/zinc/03/74/70/559037470.db2.gz PNGUXZGKWLUHEG-QFIPXVFZSA-N 1 1 400.498 3.005 50 0 HGAAMO COc1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N(CCc4cnc[nH]4)C3)C2)c(F)c1 ZINC000082097415 559037472 /nfs/dbraw/zinc/03/74/72/559037472.db2.gz PNGUXZGKWLUHEG-QFIPXVFZSA-N 1 1 400.498 3.005 50 0 HGAAMO COc1ccc(C[N@H+]2CCC[C@]3(CCC(=O)N(CCc4cnc[nH]4)C3)C2)c(F)c1 ZINC000082097415 559037474 /nfs/dbraw/zinc/03/74/74/559037474.db2.gz PNGUXZGKWLUHEG-QFIPXVFZSA-N 1 1 400.498 3.005 50 0 HGAAMO CN(Cc1cccs1)C(=O)[C@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082097362 559037603 /nfs/dbraw/zinc/03/76/03/559037603.db2.gz DVDCDRMPAFJXRV-FQEVSTJZSA-N 1 1 412.603 3.478 50 0 HGAAMO Cc1ccc(CCNC(=O)[C@@H]2CCC[N@H+](C3CCN(Cc4cccnc4)CC3)C2)o1 ZINC000082134666 559040021 /nfs/dbraw/zinc/04/00/21/559040021.db2.gz JDMSVLLIPXQLPD-OAQYLSRUSA-N 1 1 410.562 3.018 50 0 HGAAMO O=C(c1ccc(C(F)(F)F)cc1)N1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC000082230521 559042744 /nfs/dbraw/zinc/04/27/44/559042744.db2.gz AYCIARRYILZDNI-UHFFFAOYSA-N 1 1 405.424 3.058 50 0 HGAAMO Cc1ncn(-c2cc(N3CCN(C(=O)c4ccc(C)cc4C)CC3)[nH+]c(C)n2)c1C ZINC000082230654 559042867 /nfs/dbraw/zinc/04/28/67/559042867.db2.gz XODCRCZJAWXDPB-UHFFFAOYSA-N 1 1 404.518 3.167 50 0 HGAAMO O=C(Nc1ccc(Cl)cc1)N1CCN(c2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC000082230667 559042933 /nfs/dbraw/zinc/04/29/33/559042933.db2.gz XSARJYKWNZCTNT-UHFFFAOYSA-N 1 1 400.914 3.474 50 0 HGAAMO O=C(C1CC1)N1CCc2[nH]cnc2C12CC[NH+](Cc1ccc(Cl)c(F)c1)CC2 ZINC000095500334 559082259 /nfs/dbraw/zinc/08/22/59/559082259.db2.gz AOADIHHPGUQRTB-UHFFFAOYSA-N 1 1 402.901 3.488 50 0 HGAAMO Cc1cc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCN(Cc3ccccc3F)C2)on1 ZINC000095507474 559083322 /nfs/dbraw/zinc/08/33/22/559083322.db2.gz IYMWGVUPDXMJEZ-GOSISDBHSA-N 1 1 402.514 3.038 50 0 HGAAMO CCOc1cc(CNC[C@@H]2CCC[N@@H+]2CC)ccc1Oc1nnnn1-c1ccccc1 ZINC000096319053 559109942 /nfs/dbraw/zinc/10/99/42/559109942.db2.gz LOGLACYTPGZRNM-FQEVSTJZSA-N 1 1 422.533 3.427 50 0 HGAAMO CCOc1cc(CNC[C@@H]2CCC[N@H+]2CC)ccc1Oc1nnnn1-c1ccccc1 ZINC000096319053 559109943 /nfs/dbraw/zinc/10/99/43/559109943.db2.gz LOGLACYTPGZRNM-FQEVSTJZSA-N 1 1 422.533 3.427 50 0 HGAAMO c1nc2nc(-c3ccccc3)cc(NCC[NH+]3CCN(Cc4ccccc4)CC3)n2n1 ZINC000023428839 559174343 /nfs/dbraw/zinc/17/43/43/559174343.db2.gz ZYGXPSPVZYODBO-UHFFFAOYSA-N 1 1 413.529 3.021 50 0 HGAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)CSc1cc(=O)n(C)c2ccccc12 ZINC000005007906 559226883 /nfs/dbraw/zinc/22/68/83/559226883.db2.gz XZVMUXWJQACUDK-QGZVFWFLSA-N 1 1 401.576 3.401 50 0 HGAAMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@H]1CCCN(c2cnccn2)C1 ZINC000248087767 559262047 /nfs/dbraw/zinc/26/20/47/559262047.db2.gz KPIAYDSUOSVHKF-KNQAVFIVSA-N 1 1 407.562 3.384 50 0 HGAAMO COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000005562672 560618753 /nfs/dbraw/zinc/61/87/53/560618753.db2.gz ZEBNQWBYTDNARX-AWEZNQCLSA-N 1 1 407.470 3.348 50 0 HGAAMO COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000005562672 560618754 /nfs/dbraw/zinc/61/87/54/560618754.db2.gz ZEBNQWBYTDNARX-AWEZNQCLSA-N 1 1 407.470 3.348 50 0 HGAAMO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000101341862 560793167 /nfs/dbraw/zinc/79/31/67/560793167.db2.gz ZZFPRVRWYARAIA-NAZDKBRTSA-N 1 1 415.493 3.043 50 0 HGAAMO Cc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(C(N)=O)(C4CCCCC4)CC3)C2=O)c(C)c1 ZINC000102959330 560835953 /nfs/dbraw/zinc/83/59/53/560835953.db2.gz MVOXWOUUVQMNSL-HXUWFJFHSA-N 1 1 411.546 3.083 50 0 HGAAMO COc1ccc(OC)c([C@@H](C)NC(=O)C[N@@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000105705711 560876881 /nfs/dbraw/zinc/87/68/81/560876881.db2.gz GBTODMZNICNMTQ-IAGOWNOFSA-N 1 1 423.517 3.155 50 0 HGAAMO Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000102469758 568418086 /nfs/dbraw/zinc/41/80/86/568418086.db2.gz NSFVCQRQGUFABE-RCCFBDPRSA-N 1 1 407.580 3.084 50 0 HGAAMO O=C(NC[C@H]([C@H]1CCOC1)[NH+]1CCOCC1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000048287095 568434508 /nfs/dbraw/zinc/43/45/08/568434508.db2.gz XUHRLTPEVOGWRX-BLLLJJGKSA-N 1 1 421.847 3.218 50 0 HGAAMO C[C@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1CC=C(c2ccccc2)CC1 ZINC000014920479 568455567 /nfs/dbraw/zinc/45/55/67/568455567.db2.gz QTINJAIYWKBGCX-MRXNPFEDSA-N 1 1 407.470 3.284 50 0 HGAAMO C[C@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000014920479 568455568 /nfs/dbraw/zinc/45/55/68/568455568.db2.gz QTINJAIYWKBGCX-MRXNPFEDSA-N 1 1 407.470 3.284 50 0 HGAAMO FC(F)(F)c1ccc(-c2noc(C[N@@H+]3CCC[C@H](CN4CCOCC4)C3)n2)cc1 ZINC000006678571 568457296 /nfs/dbraw/zinc/45/72/96/568457296.db2.gz VFQGZIAZHIRPPQ-OAHLLOKOSA-N 1 1 410.440 3.300 50 0 HGAAMO FC(F)(F)c1ccc(-c2noc(C[N@H+]3CCC[C@H](CN4CCOCC4)C3)n2)cc1 ZINC000006678571 568457298 /nfs/dbraw/zinc/45/72/98/568457298.db2.gz VFQGZIAZHIRPPQ-OAHLLOKOSA-N 1 1 410.440 3.300 50 0 HGAAMO CC(C)c1ccccc1OC[C@H](O)C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022027090 568473188 /nfs/dbraw/zinc/47/31/88/568473188.db2.gz YNCUVRNFXIVMQE-HXUWFJFHSA-N 1 1 412.530 3.096 50 0 HGAAMO C=CC(=O)NCc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000261489598 568512227 /nfs/dbraw/zinc/51/22/27/568512227.db2.gz YPZMULKUINXMRG-XUZZJYLKSA-N 1 1 421.541 3.310 50 0 HGAAMO CCOC(=O)C1C(C[NH2+]CCc2ccc(Cl)cc2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000020283118 568596746 /nfs/dbraw/zinc/59/67/46/568596746.db2.gz YQMGEGVFZQMBOJ-HXUWFJFHSA-N 1 1 413.905 3.343 50 0 HGAAMO C[C@@H]1C[C@H](NC(=O)COc2ccc(N3CCCC3=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000095408975 568606531 /nfs/dbraw/zinc/60/65/31/568606531.db2.gz RIQLCABSCOHFIC-TZIWHRDSSA-N 1 1 421.541 3.362 50 0 HGAAMO CC(C)S(=O)(=O)Cc1ccc(NC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)cc1 ZINC000095431001 568608968 /nfs/dbraw/zinc/60/89/68/568608968.db2.gz FWVXASSKNSLBDH-UHFFFAOYSA-N 1 1 418.563 3.230 50 0 HGAAMO CC[N@@H+](CCC1CCN(C(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1)CC(C)C ZINC000095459631 568619866 /nfs/dbraw/zinc/61/98/66/568619866.db2.gz NBUQIWBALLSPHG-SFTDATJTSA-N 1 1 419.610 3.158 50 0 HGAAMO CC(=O)Nc1ccc(F)c(C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)c1 ZINC000225438867 568638124 /nfs/dbraw/zinc/63/81/24/568638124.db2.gz AXQBNPAEYFMVJY-SFHVURJKSA-N 1 1 401.507 3.132 50 0 HGAAMO CC(=O)Nc1ccc(F)c(C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)c1 ZINC000225438867 568638127 /nfs/dbraw/zinc/63/81/27/568638127.db2.gz AXQBNPAEYFMVJY-SFHVURJKSA-N 1 1 401.507 3.132 50 0 HGAAMO COc1cc(OC)c(OC)cc1C[N@@H+]1CCc2nc(N3CCC(C)CC3)ncc2C1 ZINC000021039540 568659872 /nfs/dbraw/zinc/65/98/72/568659872.db2.gz NBLBXVXXXHTTGH-UHFFFAOYSA-N 1 1 412.534 3.297 50 0 HGAAMO COc1cc(OC)c(OC)cc1C[N@H+]1CCc2nc(N3CCC(C)CC3)ncc2C1 ZINC000021039540 568659875 /nfs/dbraw/zinc/65/98/75/568659875.db2.gz NBLBXVXXXHTTGH-UHFFFAOYSA-N 1 1 412.534 3.297 50 0 HGAAMO CC(C)CN(C[C@@H]1C[N@H+](C[C@H](O)Cc2ccccc2)CCO1)C(=O)c1ccccc1 ZINC000096280498 568718006 /nfs/dbraw/zinc/71/80/06/568718006.db2.gz GXWZEKSJKUWJKV-RPWUZVMVSA-N 1 1 410.558 3.089 50 0 HGAAMO CC(C)CN(C[C@@H]1C[N@@H+](C[C@H](O)Cc2ccccc2)CCO1)C(=O)c1ccccc1 ZINC000096280498 568718010 /nfs/dbraw/zinc/71/80/10/568718010.db2.gz GXWZEKSJKUWJKV-RPWUZVMVSA-N 1 1 410.558 3.089 50 0 HGAAMO CCN1CC[NH+](CCCNc2ncnc3onc(-c4cccc(Cl)c4)c32)CC1 ZINC000021714528 568748843 /nfs/dbraw/zinc/74/88/43/568748843.db2.gz KRANQIIYWHDVKZ-UHFFFAOYSA-N 1 1 400.914 3.378 50 0 HGAAMO Cc1ccc(N2CC[C@@H](C(=O)N3CC[NH+](Cc4ccccc4)CC3)C2=O)c(Cl)c1 ZINC000096493804 568755168 /nfs/dbraw/zinc/75/51/68/568755168.db2.gz LCEQDDVJRHLJHS-IBGZPJMESA-N 1 1 411.933 3.346 50 0 HGAAMO O=C(NC[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccccc1-n1cnc2ccccc2c1=O ZINC000299754388 568782211 /nfs/dbraw/zinc/78/22/11/568782211.db2.gz FZXYMWKDMRGFDF-GCJKJVERSA-N 1 1 416.525 3.380 50 0 biogenic HGAAMO CC[NH+]1CCN(C(=S)SCC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000215715644 568793299 /nfs/dbraw/zinc/79/32/99/568793299.db2.gz VGUWZMYMQSWZLE-UHFFFAOYSA-N 1 1 407.483 3.179 50 0 HGAAMO Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(C)c(NS(C)(=O)=O)c3)CC2)cc1 ZINC000029092288 568819135 /nfs/dbraw/zinc/81/91/35/568819135.db2.gz KWAJPYSZAYQVIT-UHFFFAOYSA-N 1 1 415.559 3.023 50 0 HGAAMO CCCC[N@@H+](CC)CCNC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2ccccc21 ZINC000002944001 568819763 /nfs/dbraw/zinc/81/97/63/568819763.db2.gz BTUOMXBSAMEJHB-UHFFFAOYSA-N 1 1 422.529 3.246 50 0 HGAAMO C[C@H]1C[N@H+](Cc2ccc(C(=O)NC[C@@H]3CCN(c4ccc(F)cc4)C3)cc2)CCO1 ZINC000057276026 568825707 /nfs/dbraw/zinc/82/57/07/568825707.db2.gz XENKPUXFDKZHFZ-ICSRJNTNSA-N 1 1 411.521 3.303 50 0 HGAAMO C[C@H]1C[N@@H+](Cc2ccc(C(=O)NC[C@@H]3CCN(c4ccc(F)cc4)C3)cc2)CCO1 ZINC000057276026 568825709 /nfs/dbraw/zinc/82/57/09/568825709.db2.gz XENKPUXFDKZHFZ-ICSRJNTNSA-N 1 1 411.521 3.303 50 0 HGAAMO [NH2+]=C1Nc2nc3cc4c(cc3n2[C@@H](c2cccc(C(F)(F)F)c2)N1)OCCCO4 ZINC000012506227 568839267 /nfs/dbraw/zinc/83/92/67/568839267.db2.gz XGHLWCIFYAZLNI-INIZCTEOSA-N 1 1 403.364 3.313 50 0 HGAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@@H]12)[C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 ZINC000230142938 568852412 /nfs/dbraw/zinc/85/24/12/568852412.db2.gz HRXDSFDFJZJLED-DOXZYTNZSA-N 1 1 407.917 3.213 50 0 biogenic HGAAMO Cc1cccc2c1ncn(CCCC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1)c2=O ZINC000030030454 568856862 /nfs/dbraw/zinc/85/68/62/568856862.db2.gz RIQMTIVJYHDTBO-OAQYLSRUSA-N 1 1 404.514 3.000 50 0 HGAAMO Cc1cccc2c1ncn(CCCC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1)c2=O ZINC000030030454 568856864 /nfs/dbraw/zinc/85/68/64/568856864.db2.gz RIQMTIVJYHDTBO-OAQYLSRUSA-N 1 1 404.514 3.000 50 0 HGAAMO CN(Cc1ccon1)Cc1cccc(OC[C@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000012612831 568871743 /nfs/dbraw/zinc/87/17/43/568871743.db2.gz KUBNZQAZINIPSB-HSZRJFAPSA-N 1 1 407.514 3.105 50 0 HGAAMO CCOC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]3CCC[N@H+]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000057992084 568873033 /nfs/dbraw/zinc/87/30/33/568873033.db2.gz RKQZVYFIUMOCFC-KDLAUNOPSA-N 1 1 419.481 3.134 50 0 biogenic HGAAMO Cc1ccc([C@@H](CNS(=O)(=O)c2ccc(F)cc2Br)[NH+](C)C)cc1 ZINC000057995202 568873339 /nfs/dbraw/zinc/87/33/39/568873339.db2.gz WUFIFEMGMZWQEJ-MRXNPFEDSA-N 1 1 415.328 3.478 50 0 HGAAMO O=C(NCCNC(=O)[C@H]1C[C@@H](c2ccccc2)[N@H+]2CCC[C@H]12)c1ccccc1Cl ZINC000299791274 568875850 /nfs/dbraw/zinc/87/58/50/568875850.db2.gz CWQCXJJEXKJJPK-TYPHKJRUSA-N 1 1 411.933 3.412 50 0 HGAAMO COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H]2c2ccsc2)c1 ZINC000052804070 568879433 /nfs/dbraw/zinc/87/94/33/568879433.db2.gz RLFXULZHOGAIOB-FZKQIMNGSA-N 1 1 416.499 3.485 50 0 HGAAMO COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H]2c2ccsc2)c1 ZINC000052804070 568879436 /nfs/dbraw/zinc/87/94/36/568879436.db2.gz RLFXULZHOGAIOB-FZKQIMNGSA-N 1 1 416.499 3.485 50 0 HGAAMO C[NH+](C)[C@H](CNC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1ccco1 ZINC000003378646 568891734 /nfs/dbraw/zinc/89/17/34/568891734.db2.gz JMMDTGNTPCFMCW-FUHWJXTLSA-N 1 1 403.910 3.204 50 0 HGAAMO O=C(C[N@@H+]1CCC[C@@H]1c1cccs1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000007990854 568967131 /nfs/dbraw/zinc/96/71/31/568967131.db2.gz XAVMREMYRPAAFT-GOSISDBHSA-N 1 1 419.572 3.308 50 0 HGAAMO O=C(C[N@H+]1CCC[C@@H]1c1cccs1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000007990854 568967133 /nfs/dbraw/zinc/96/71/33/568967133.db2.gz XAVMREMYRPAAFT-GOSISDBHSA-N 1 1 419.572 3.308 50 0 HGAAMO O=C(C[N@@H+]1CCC[C@@H]1c1cccs1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000008036344 568969761 /nfs/dbraw/zinc/96/97/61/568969761.db2.gz MYDVYHQJMUZEIZ-GOSISDBHSA-N 1 1 419.572 3.308 50 0 HGAAMO O=C(C[N@H+]1CCC[C@@H]1c1cccs1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000008036344 568969763 /nfs/dbraw/zinc/96/97/63/568969763.db2.gz MYDVYHQJMUZEIZ-GOSISDBHSA-N 1 1 419.572 3.308 50 0 HGAAMO Cc1ccc(CNC(=O)[C@@H](C)[NH+]2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000012808786 568980730 /nfs/dbraw/zinc/98/07/30/568980730.db2.gz KLOXEBPFVDWTKZ-GOSISDBHSA-N 1 1 422.525 3.366 50 0 HGAAMO Cc1ccsc1C[N@@H+](C)[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C ZINC000008262705 568985606 /nfs/dbraw/zinc/98/56/06/568985606.db2.gz WDRLVFCAOWYVOB-HNNXBMFYSA-N 1 1 409.577 3.074 50 0 HGAAMO Cc1ccsc1C[N@H+](C)[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C ZINC000008262705 568985609 /nfs/dbraw/zinc/98/56/09/568985609.db2.gz WDRLVFCAOWYVOB-HNNXBMFYSA-N 1 1 409.577 3.074 50 0 HGAAMO Cc1[nH+]ccn1-c1cc(NCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)ncn1 ZINC000038488278 568997491 /nfs/dbraw/zinc/99/74/91/568997491.db2.gz NJNCWHBIAMDLRI-UHFFFAOYSA-N 1 1 414.897 3.010 50 0 HGAAMO O=C(NCc1nc(-c2ccccc2)no1)C1CC[NH+](Cc2nc3ccccc3[nH]2)CC1 ZINC000038489451 568997711 /nfs/dbraw/zinc/99/77/11/568997711.db2.gz CXGVHGXLQCLKQV-UHFFFAOYSA-N 1 1 416.485 3.141 50 0 HGAAMO CC(=O)c1ccc(NC(=O)CC[NH+]2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000012823524 569007319 /nfs/dbraw/zinc/00/73/19/569007319.db2.gz BIZBADPOHWSOAF-UHFFFAOYSA-N 1 1 420.435 3.454 50 0 HGAAMO COc1ccc(C[N@H+]2CCN(Cc3ccc(NC(C)=O)cc3)C[C@H]2CCO)cc1C ZINC000104405980 569008582 /nfs/dbraw/zinc/00/85/82/569008582.db2.gz ZNQBMCRUPKJFPQ-HSZRJFAPSA-N 1 1 411.546 3.031 50 0 HGAAMO COc1ccc(CN2CC[N@H+](Cc3ccc(NC(C)=O)cc3)C[C@H]2CCO)cc1C ZINC000104405980 569008583 /nfs/dbraw/zinc/00/85/83/569008583.db2.gz ZNQBMCRUPKJFPQ-HSZRJFAPSA-N 1 1 411.546 3.031 50 0 HGAAMO COc1ccc(CN2CC[N@@H+](Cc3ccc(NC(C)=O)cc3)C[C@H]2CCO)cc1C ZINC000104405980 569008584 /nfs/dbraw/zinc/00/85/84/569008584.db2.gz ZNQBMCRUPKJFPQ-HSZRJFAPSA-N 1 1 411.546 3.031 50 0 HGAAMO CCOc1ccc(C[N@@H+]2CCN(Cc3c(C)nc4sccn34)C[C@H]2CCO)cc1 ZINC000104455446 569008649 /nfs/dbraw/zinc/00/86/49/569008649.db2.gz UGAQKBFRAODFLV-LJQANCHMSA-N 1 1 414.575 3.172 50 0 HGAAMO CCOc1ccc(C[N@H+]2CCN(Cc3c(C)nc4sccn34)C[C@H]2CCO)cc1 ZINC000104455446 569008650 /nfs/dbraw/zinc/00/86/50/569008650.db2.gz UGAQKBFRAODFLV-LJQANCHMSA-N 1 1 414.575 3.172 50 0 HGAAMO CN(c1ccccc1)c1ccc(CN2CCN(C3CC[NH+](C)CC3)[C@H](CCO)C2)cc1 ZINC000104513691 569008828 /nfs/dbraw/zinc/00/88/28/569008828.db2.gz NDIASWKNTXRLCE-AREMUKBSSA-N 1 1 422.617 3.417 50 0 HGAAMO CCOc1ccc(C[N@@H+]2CCN(Cc3ccc(F)c(OC)c3)C[C@H]2CCO)cc1 ZINC000104492126 569008928 /nfs/dbraw/zinc/00/89/28/569008928.db2.gz BBJQXBBBWUBOAE-HXUWFJFHSA-N 1 1 402.510 3.302 50 0 HGAAMO CCOc1ccc(C[N@H+]2CCN(Cc3ccc(F)c(OC)c3)C[C@H]2CCO)cc1 ZINC000104492126 569008929 /nfs/dbraw/zinc/00/89/29/569008929.db2.gz BBJQXBBBWUBOAE-HXUWFJFHSA-N 1 1 402.510 3.302 50 0 HGAAMO COc1ccc([C@H]2CCCCC[N@H+]2CC(=O)N2CCN(c3ccccn3)CC2)cc1 ZINC000012912273 569021879 /nfs/dbraw/zinc/02/18/79/569021879.db2.gz OVLKRBIZQIAQOJ-JOCHJYFZSA-N 1 1 408.546 3.356 50 0 HGAAMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)CCCn2nnc(-c3ccccc3)n2)C1 ZINC000228304429 569040216 /nfs/dbraw/zinc/04/02/16/569040216.db2.gz QFUNEIXGZALZOI-GHTZIAJQSA-N 1 1 404.518 3.072 50 0 HGAAMO Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H](C)NC(=O)/C=C/c3ccccc3)CC2)cc1 ZINC000040086997 569048078 /nfs/dbraw/zinc/04/80/78/569048078.db2.gz KHAYMRJBLBCRSE-ARKBFRDHSA-N 1 1 405.542 3.247 50 0 HGAAMO CCS(=O)(=O)c1ccc(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000462257833 569052902 /nfs/dbraw/zinc/05/29/02/569052902.db2.gz JPYYPXAXVLDHOX-OXQOHEQNSA-N 1 1 401.532 3.122 50 0 HGAAMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1N(C)C(=O)c1cccc(S(C)(=O)=O)c1 ZINC000241124150 569054724 /nfs/dbraw/zinc/05/47/24/569054724.db2.gz JFZHDBFDNUFDAW-OEWRPIJISA-N 1 1 414.571 3.319 50 0 HGAAMO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@H](O)COCc1ccccc1F ZINC000241590543 569054769 /nfs/dbraw/zinc/05/47/69/569054769.db2.gz PFUQRTJZTMYNFS-SMKKKYSBSA-N 1 1 400.538 3.449 50 0 HGAAMO C[N@@H+]1CCN(Cc2c(C(=O)N3CCCC3)nc3sccn23)C[C@H]1c1ccccc1 ZINC000244724163 569055144 /nfs/dbraw/zinc/05/51/44/569055144.db2.gz MOXAGFNGRUGOLL-SFHVURJKSA-N 1 1 409.559 3.121 50 0 HGAAMO C[N@H+]1CCN(Cc2c(C(=O)N3CCCC3)nc3sccn23)C[C@H]1c1ccccc1 ZINC000244724163 569055145 /nfs/dbraw/zinc/05/51/45/569055145.db2.gz MOXAGFNGRUGOLL-SFHVURJKSA-N 1 1 409.559 3.121 50 0 HGAAMO Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@@H+]4[C@@]4(C(=O)Nc5ccc(Cl)cc54)[C@H]3C2=O)cc1 ZINC000245242308 569055410 /nfs/dbraw/zinc/05/54/10/569055410.db2.gz ZUBDDXQNELUVSP-RTXPOLOASA-N 1 1 421.884 3.080 50 0 HGAAMO Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@H+]4[C@@]4(C(=O)Nc5ccc(Cl)cc54)[C@H]3C2=O)cc1 ZINC000245242308 569055411 /nfs/dbraw/zinc/05/54/11/569055411.db2.gz ZUBDDXQNELUVSP-RTXPOLOASA-N 1 1 421.884 3.080 50 0 HGAAMO C[NH+](C)[C@H](CNC(=O)c1oc2ccccc2c1CSc1nc[nH]n1)c1ccco1 ZINC000006497347 569061369 /nfs/dbraw/zinc/06/13/69/569061369.db2.gz AVFUIHYAOQWGBP-OAHLLOKOSA-N 1 1 411.487 3.469 50 0 HGAAMO COCC[N@@H+](Cc1cccc(OC)c1OC)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036097148 569090296 /nfs/dbraw/zinc/09/02/96/569090296.db2.gz BWRHINNIHRWJLL-SFHVURJKSA-N 1 1 409.910 3.246 50 0 HGAAMO COCC[N@H+](Cc1cccc(OC)c1OC)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036097148 569090297 /nfs/dbraw/zinc/09/02/97/569090297.db2.gz BWRHINNIHRWJLL-SFHVURJKSA-N 1 1 409.910 3.246 50 0 HGAAMO CCOC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)noc1N1CCOCC1)CC(C)C ZINC000036249796 569119198 /nfs/dbraw/zinc/11/91/98/569119198.db2.gz GDDLKVRLMZTFTQ-HXUWFJFHSA-N 1 1 417.550 3.034 50 0 HGAAMO CCOC[C@H](O)C[N@@H+](CCCOC)Cc1c(-c2ccccc2)noc1N1CCCC1 ZINC000036312944 569133052 /nfs/dbraw/zinc/13/30/52/569133052.db2.gz RFPPXSBNCXSCGQ-HXUWFJFHSA-N 1 1 417.550 3.178 50 0 HGAAMO CCOc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2C(=O)CN2CC[NH+](C)CC2)cc1 ZINC000036344096 569142556 /nfs/dbraw/zinc/14/25/56/569142556.db2.gz HJWMHJGMOFEKKN-DEOSSOPVSA-N 1 1 420.557 3.319 50 0 HGAAMO Cc1c(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)sc2nc3n(c(=O)c12)CCCCC3 ZINC000006840814 569151446 /nfs/dbraw/zinc/15/14/46/569151446.db2.gz QKEDEBDIPWVIFU-OAHLLOKOSA-N 1 1 416.591 3.487 50 0 HGAAMO C[C@H](NC(=O)Cc1cccc2ccccc21)C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000036419437 569177623 /nfs/dbraw/zinc/17/76/23/569177623.db2.gz CZHMCTYIYXQCGY-CYFREDJKSA-N 1 1 415.537 3.402 50 0 HGAAMO C[C@H](NC(=O)Cc1cccc2ccccc21)C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000036419437 569177624 /nfs/dbraw/zinc/17/76/24/569177624.db2.gz CZHMCTYIYXQCGY-CYFREDJKSA-N 1 1 415.537 3.402 50 0 HGAAMO CCc1nc2c(c(=O)n1CC(=O)Nc1cccc(F)c1)C[N@@H+](Cc1ccccc1)CC2 ZINC000065153575 569187483 /nfs/dbraw/zinc/18/74/83/569187483.db2.gz VFIIUIGGNXXBRV-UHFFFAOYSA-N 1 1 420.488 3.142 50 0 HGAAMO CCOc1ccccc1C(=O)N1CCN(c2nc(C[NH+]3CCCCC3)cs2)CC1 ZINC000065200111 569193683 /nfs/dbraw/zinc/19/36/83/569193683.db2.gz NGLGRIIJHVGJIX-UHFFFAOYSA-N 1 1 414.575 3.490 50 0 HGAAMO CCOc1ccc(C(=O)N2CCN(c3nc(C[NH+]4CCCCC4)cs3)CC2)cc1 ZINC000065200472 569193819 /nfs/dbraw/zinc/19/38/19/569193819.db2.gz SDBBZNTVKQCXAX-UHFFFAOYSA-N 1 1 414.575 3.490 50 0 HGAAMO CNC(=O)c1ccc(C[N@H+](C)CC(=O)Nc2ccc(N3CCCCCC3)cc2)cc1 ZINC000007255706 569230550 /nfs/dbraw/zinc/23/05/50/569230550.db2.gz RPFGWFOMFSAVKE-UHFFFAOYSA-N 1 1 408.546 3.497 50 0 HGAAMO CNC(=O)c1ccc(C[N@@H+](C)CC(=O)Nc2ccc(N3CCCCCC3)cc2)cc1 ZINC000007255706 569230551 /nfs/dbraw/zinc/23/05/51/569230551.db2.gz RPFGWFOMFSAVKE-UHFFFAOYSA-N 1 1 408.546 3.497 50 0 HGAAMO O=C(NCC[N@H+]1CCc2ccccc2C1)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000065476385 569231462 /nfs/dbraw/zinc/23/14/62/569231462.db2.gz WQYVUXUDFYXTSH-KRWDZBQOSA-N 1 1 414.500 3.149 50 0 HGAAMO C[C@@H](O)C[NH+]1CCN(C(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)CC1 ZINC000170602433 569243794 /nfs/dbraw/zinc/24/37/94/569243794.db2.gz VKIWZYJABHTJFH-CYBMUJFWSA-N 1 1 412.317 3.106 50 0 HGAAMO O=C(c1ccc2c(c1)OCCO2)C1CC[NH+](Cc2cc(=O)oc3cc(O)ccc23)CC1 ZINC000014328534 569259416 /nfs/dbraw/zinc/25/94/16/569259416.db2.gz QMWJSLZOQLFKGE-UHFFFAOYSA-N 1 1 421.449 3.365 50 0 HGAAMO CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000089791053 569266286 /nfs/dbraw/zinc/26/62/86/569266286.db2.gz IXXGBLUGLVDKAX-FGZHOGPDSA-N 1 1 411.521 3.361 50 0 HGAAMO COc1ccc(C(=O)N2CCN(c3nc(Nc4ccccc4)cc(C)[nH+]3)CC2)cc1 ZINC000017012367 569271503 /nfs/dbraw/zinc/27/15/03/569271503.db2.gz RYMHJYRCERFANV-UHFFFAOYSA-N 1 1 403.486 3.500 50 0 HGAAMO Cc1sc2nc(C)n(CCC(=O)NC[C@H]3CCC[N@H+]4CCCC[C@H]34)c(=O)c2c1C ZINC000225413477 569395002 /nfs/dbraw/zinc/39/50/02/569395002.db2.gz NPIOYZSTVVAYJO-QZTJIDSGSA-N 1 1 416.591 3.154 50 0 biogenic HGAAMO COc1c2c(cc3c1[C@@H](C[C@@H](O)CCc1ccc4c(c1)OCO4)[N@@H+](C)CC3)OCO2 ZINC000012661583 569402719 /nfs/dbraw/zinc/40/27/19/569402719.db2.gz SDGLWTATVZQCPU-DLBZAZTESA-N 1 1 413.470 3.065 50 0 biogenic HGAAMO CCOC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)C[N@@H+]1CCCC[C@H]1CCO ZINC000002453243 569405519 /nfs/dbraw/zinc/40/55/19/569405519.db2.gz TZAZGZWAPPMIRL-AWEZNQCLSA-N 1 1 407.898 3.173 50 0 HGAAMO CCOC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)C[N@H+]1CCCC[C@H]1CCO ZINC000002453243 569405520 /nfs/dbraw/zinc/40/55/20/569405520.db2.gz TZAZGZWAPPMIRL-AWEZNQCLSA-N 1 1 407.898 3.173 50 0 HGAAMO CC(C)n1ncc2cc(S(=O)(=O)NC[C@H](c3cccc(F)c3)[NH+](C)C)ccc21 ZINC000079111036 569428081 /nfs/dbraw/zinc/42/80/81/569428081.db2.gz MQZALQCVFRGJPW-HXUWFJFHSA-N 1 1 404.511 3.338 50 0 HGAAMO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000040096081 571162051 /nfs/dbraw/zinc/16/20/51/571162051.db2.gz XTYXVCGRRKBEIV-UHFFFAOYSA-N 1 1 400.445 3.113 50 0 HGAAMO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000040096081 571162053 /nfs/dbraw/zinc/16/20/53/571162053.db2.gz XTYXVCGRRKBEIV-UHFFFAOYSA-N 1 1 400.445 3.113 50 0 HGAAMO CCCCc1nc(C)c(C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)s1 ZINC000040106879 571167284 /nfs/dbraw/zinc/16/72/84/571167284.db2.gz DROKCBHYMNXFCO-UHFFFAOYSA-N 1 1 414.575 3.112 50 0 HGAAMO CCCn1nc(C(=O)NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)ccc1=O ZINC000040107178 571167537 /nfs/dbraw/zinc/16/75/37/571167537.db2.gz QNMRGGQESAZUQE-FQEVSTJZSA-N 1 1 422.554 3.244 50 0 HGAAMO CCCn1nc(C(=O)NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)ccc1=O ZINC000040107178 571167540 /nfs/dbraw/zinc/16/75/40/571167540.db2.gz QNMRGGQESAZUQE-FQEVSTJZSA-N 1 1 422.554 3.244 50 0 HGAAMO Cc1cc(=O)c(C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)nn1-c1ccccc1F ZINC000040108507 571168022 /nfs/dbraw/zinc/16/80/22/571168022.db2.gz VHLLERWNNFLWKQ-CALCHBBNSA-N 1 1 414.525 3.168 50 0 HGAAMO Cc1ccc2ncc(C(=O)NCc3ccc(C[N@@H+]4CCC[C@H](C)C4)cc3)c(=O)n2c1 ZINC000040108831 571168278 /nfs/dbraw/zinc/16/82/78/571168278.db2.gz NIXQNUAGQAAUDL-KRWDZBQOSA-N 1 1 404.514 3.165 50 0 HGAAMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2ccc(=O)n(-c3ccccc3)n2)C1 ZINC000040112293 571170510 /nfs/dbraw/zinc/17/05/10/571170510.db2.gz VIMYRFUQYPLMNJ-LJQANCHMSA-N 1 1 416.525 3.394 50 0 HGAAMO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)CCc2cccc(Cl)c2Cl)CC1 ZINC000040120308 571176316 /nfs/dbraw/zinc/17/63/16/571176316.db2.gz NBBGGVLCVRKVNF-UHFFFAOYSA-N 1 1 414.377 3.329 50 0 HGAAMO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)CCc2cccc(Cl)c2Cl)CC1 ZINC000040120308 571176318 /nfs/dbraw/zinc/17/63/18/571176318.db2.gz NBBGGVLCVRKVNF-UHFFFAOYSA-N 1 1 414.377 3.329 50 0 HGAAMO CC[N@H+]1CCC[C@H]1CNc1nc(-c2ccc3c(c2)CCCN3S(C)(=O)=O)cs1 ZINC000069378619 571224857 /nfs/dbraw/zinc/22/48/57/571224857.db2.gz ZKHNCMVQSOSSNY-KRWDZBQOSA-N 1 1 420.604 3.419 50 0 HGAAMO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@@H+]2[C@@]32C(=O)Nc3c2cccc3Cl)cc1 ZINC000009209411 571236872 /nfs/dbraw/zinc/23/68/72/571236872.db2.gz IPEAJXZTUBESII-DDOIHHOZSA-N 1 1 421.884 3.080 50 0 HGAAMO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@H+]2[C@@]32C(=O)Nc3c2cccc3Cl)cc1 ZINC000009209411 571236874 /nfs/dbraw/zinc/23/68/74/571236874.db2.gz IPEAJXZTUBESII-DDOIHHOZSA-N 1 1 421.884 3.080 50 0 HGAAMO Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccccc2)c1C ZINC000010340840 571301160 /nfs/dbraw/zinc/30/11/60/571301160.db2.gz RLFKQWDHYBJPOT-NRFANRHFSA-N 1 1 415.559 3.329 50 0 HGAAMO Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)C[N@H+]2CCC[C@H]2c2ccccc2)c1C ZINC000010340840 571301162 /nfs/dbraw/zinc/30/11/62/571301162.db2.gz RLFKQWDHYBJPOT-NRFANRHFSA-N 1 1 415.559 3.329 50 0 HGAAMO COc1ccc(C[NH+]2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1 ZINC000001467972 132246751 /nfs/dbraw/zinc/24/67/51/132246751.db2.gz ZBFNQBLCYGFHGY-UHFFFAOYSA-N 1 1 400.486 3.146 50 0 HGAAMO Cc1ccc2c(c1)[nH]c1c2ncnc1N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000002416430 132254249 /nfs/dbraw/zinc/25/42/49/132254249.db2.gz DJCTYLIRWHIXJR-UHFFFAOYSA-N 1 1 401.470 3.470 50 0 HGAAMO Cc1ccc2c(c1)N(C(=O)CCC(=O)NCCC[N@H+](C)C1CCCCC1)CCO2 ZINC000005135705 132302021 /nfs/dbraw/zinc/30/20/21/132302021.db2.gz CHICHVKOYMHRSX-UHFFFAOYSA-N 1 1 401.551 3.271 50 0 HGAAMO CN1c2cc(C(=O)NCCC[N@@H+](C)C3CCCCC3)ccc2N2CCCC[C@@H]2C1=O ZINC000009528831 132340610 /nfs/dbraw/zinc/34/06/10/132340610.db2.gz WWWZZCTYRYWNGT-OAQYLSRUSA-N 1 1 412.578 3.406 50 0 HGAAMO Cc1nnc(SCC(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)[nH]1 ZINC000012588703 132364675 /nfs/dbraw/zinc/36/46/75/132364675.db2.gz GGTZCZAEWPFYOL-UHFFFAOYSA-N 1 1 422.558 3.166 50 0 HGAAMO COc1c(C)c[nH+]c(CN2CC[NH+]([C@H](C(=O)[O-])c3c[nH]c4ccccc43)CC2)c1C ZINC000031812216 521812535 /nfs/dbraw/zinc/81/25/35/521812535.db2.gz GPYUPZRUAYKCED-NRFANRHFSA-N 1 1 408.502 3.132 50 0 HGAAMO C[NH+](C)[C@@H](CNC(=O)[C@H]1CCCN(C(=O)c2ccoc2)C1)c1ccccc1Cl ZINC000043728863 522023413 /nfs/dbraw/zinc/02/34/13/522023413.db2.gz NQXFGMRKTUGEPS-KXBFYZLASA-N 1 1 403.910 3.204 50 0 HGAAMO COC(=O)c1ccc(OC[C@H](O)C[N@@H+](C)Cc2ccccc2N2CCCCC2)cc1 ZINC000032843150 522144566 /nfs/dbraw/zinc/14/45/66/522144566.db2.gz GJAWODLPEKHSDA-OAQYLSRUSA-N 1 1 412.530 3.335 50 0 HGAAMO CN(C(=O)c1csc(NC(=O)c2ccc(Cl)c(Cl)c2)n1)[C@H]1CC[N@@H+](C)C1 ZINC000040355533 523963336 /nfs/dbraw/zinc/96/33/36/523963336.db2.gz VGIAORWGMIEYHZ-NSHDSACASA-N 1 1 413.330 3.478 50 0 HGAAMO Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)[NH+]1CCC(OCc2ccccc2)CC1 ZINC000032851168 524278765 /nfs/dbraw/zinc/27/87/65/524278765.db2.gz MIPUPAQNLAIMEB-HXUWFJFHSA-N 1 1 423.557 3.428 50 0 HGAAMO Cc1cc(C[N@H+]2CCC[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)oc1C ZINC000020598433 524689191 /nfs/dbraw/zinc/68/91/91/524689191.db2.gz DBIWBZFJXPDZHZ-NRFANRHFSA-N 1 1 411.546 3.407 50 0 HGAAMO COc1ccccc1[C@@H](CNC(=O)C1CCN(C(=O)c2ccsc2)CC1)[NH+](C)C ZINC000032695600 524731625 /nfs/dbraw/zinc/73/16/25/524731625.db2.gz HJFJNULCKSDYIJ-LJQANCHMSA-N 1 1 415.559 3.028 50 0 HGAAMO Cc1cccc2c(=O)n(CCCC(=O)N[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)cnc12 ZINC000032912079 524926529 /nfs/dbraw/zinc/92/65/29/524926529.db2.gz JNYXSSIQONWVBN-OAQYLSRUSA-N 1 1 418.541 3.266 50 0 HGAAMO Cc1ccc(N2C[C@@H](C(=O)NCCC[N@H+]3CCc4ccccc4C3)CC2=O)cc1F ZINC000032400947 524979717 /nfs/dbraw/zinc/97/97/17/524979717.db2.gz ASYBDMMWEJHZPJ-FQEVSTJZSA-N 1 1 409.505 3.052 50 0 HGAAMO Cc1noc2nc(C3CC3)cc(C(=O)NCc3ccc(C[NH+]4CCOCC4)cc3)c12 ZINC000029717200 526681693 /nfs/dbraw/zinc/68/16/93/526681693.db2.gz STMMAMCGDHUNQR-UHFFFAOYSA-N 1 1 406.486 3.171 50 0 HGAAMO O=C(C[N@H+]1CCC[C@H](COCc2ccccc2)C1)N1CCN(c2ccccc2)CC1 ZINC000056908423 526754910 /nfs/dbraw/zinc/75/49/10/526754910.db2.gz LEYMIFBWOPFBFO-QHCPKHFHSA-N 1 1 407.558 3.264 50 0 HGAAMO Cc1sc2ncnc(N3CCC(C(=O)NCCC[N@H+](C)C(C)C)CC3)c2c1C ZINC000041318806 526899186 /nfs/dbraw/zinc/89/91/86/526899186.db2.gz UKHXUWGWLUFGES-UHFFFAOYSA-N 1 1 403.596 3.371 50 0 HGAAMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cn(-c2ccccc2C(F)(F)F)nn1 ZINC000032816975 527047695 /nfs/dbraw/zinc/04/76/95/527047695.db2.gz AGGYPQMZOJXFGE-INIZCTEOSA-N 1 1 415.419 3.290 50 0 HGAAMO COCCN(C[C@@H]1C[N@@H+](Cc2cccs2)C[C@@H]1c1cccc(F)c1)C(=O)COC ZINC000034740550 557443958 /nfs/dbraw/zinc/44/39/58/557443958.db2.gz BFMVLCFRMIGXQR-GHTZIAJQSA-N 1 1 420.550 3.224 50 0 HGAAMO CCOC(=O)c1ccc(N2C(=O)C[C@@H]([NH+]3CCC(Cc4ccccc4)CC3)C2=O)cc1 ZINC000004682430 557580745 /nfs/dbraw/zinc/58/07/45/557580745.db2.gz OVIKOAWBKOLPSA-JOCHJYFZSA-N 1 1 420.509 3.450 50 0 HGAAMO CCOC(=O)C1CC[NH+]([C@@H](c2ccc(F)cc2)c2c(O)cc(C)n(CC)c2=O)CC1 ZINC000022697152 557784090 /nfs/dbraw/zinc/78/40/90/557784090.db2.gz AAZXQEPTUFDVGX-NRFANRHFSA-N 1 1 416.493 3.386 50 0 HGAAMO CC1(C)Cc2cccc(OCc3ccc(C(=O)NCCC[NH+]4CCOCC4)cc3)c2O1 ZINC000022713980 557801838 /nfs/dbraw/zinc/80/18/38/557801838.db2.gz UESKKBSNJLWPTA-UHFFFAOYSA-N 1 1 424.541 3.431 50 0 HGAAMO COc1ccc(CC[N@@H+](C)[C@H]2CCCN(C(=O)/C=C/c3cccnc3)C2)cc1OC ZINC000011662283 558266141 /nfs/dbraw/zinc/26/61/41/558266141.db2.gz WJYQKAGEEKHMHC-ZUURVNMSSA-N 1 1 409.530 3.278 50 0 HGAAMO O=C1CC[C@H](CC[NH2+]Cc2ccc(F)cc2)N1CC1(N2CCOCC2)CCCCC1 ZINC000011784317 558275683 /nfs/dbraw/zinc/27/56/83/558275683.db2.gz RXEJIQWPPZUALJ-JOCHJYFZSA-N 1 1 417.569 3.332 50 0 HGAAMO CC(=O)N[C@H](CC(C)C)c1nnc2n1CC[N@H+](Cc1ccc(OC(C)C)cc1)CC2 ZINC000011787172 558276448 /nfs/dbraw/zinc/27/64/48/558276448.db2.gz SGMJPQOJLBMCSJ-OAQYLSRUSA-N 1 1 413.566 3.347 50 0 HGAAMO C[NH+]1CCN(C(=O)/C(=C/c2ccc(F)cc2)NC(=O)c2ccccc2Cl)CC1 ZINC000019782157 558281308 /nfs/dbraw/zinc/28/13/08/558281308.db2.gz NVWTYIIHCSVMIJ-RGEXLXHISA-N 1 1 401.869 3.024 50 0 HGAAMO CCn1cc(CN2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)c2ccccc21 ZINC000019794432 558283629 /nfs/dbraw/zinc/28/36/29/558283629.db2.gz GOTONOCSYXZXPJ-QHCPKHFHSA-N 1 1 412.622 3.403 50 0 HGAAMO COc1ccc(/C=C/C[N@@H+]2CCc3nnc([C@@H](CC(C)C)NC(C)=O)n3CC2)cc1 ZINC000011869760 558290115 /nfs/dbraw/zinc/29/01/15/558290115.db2.gz JMFWMFMHLHLKFD-YAQIIAKESA-N 1 1 411.550 3.082 50 0 HGAAMO O=C(/C(=C\c1ccc(F)cc1)n1ccccc1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019831713 558291666 /nfs/dbraw/zinc/29/16/66/558291666.db2.gz MYIKNHIYDDVUKC-PTGBLXJZSA-N 1 1 417.484 3.330 50 0 HGAAMO COc1ccc(C[N@@H+]2CCc3nnc([C@@H](NC(=O)c4ccoc4)C(C)C)n3CC2)cc1 ZINC000011881447 558295286 /nfs/dbraw/zinc/29/52/86/558295286.db2.gz BAULIWOJTBKPNW-NRFANRHFSA-N 1 1 423.517 3.065 50 0 HGAAMO COc1cc(-c2n[nH]cc2C[N@@H+](CCO)Cc2cccs2)cc(OC)c1OC ZINC000011935149 558299127 /nfs/dbraw/zinc/29/91/27/558299127.db2.gz VAPLIIBAVKTLCE-UHFFFAOYSA-N 1 1 403.504 3.159 50 0 HGAAMO COCC[NH+]1CCC(CN(Cc2nc3ccc(F)cc3[nH]2)Cc2ccncc2)CC1 ZINC000011935209 558299212 /nfs/dbraw/zinc/29/92/12/558299212.db2.gz AZXURVAYYOGCIU-UHFFFAOYSA-N 1 1 411.525 3.458 50 0 HGAAMO CC(C)=CCC[C@H](C)C[N@@H+]1CCc2nnc(CNC(=O)Cc3ccccc3)n2CC1 ZINC000012034754 558311629 /nfs/dbraw/zinc/31/16/29/558311629.db2.gz XKEWMCNIGWGSMH-FQEVSTJZSA-N 1 1 409.578 3.378 50 0 HGAAMO Cc1cc(=O)n2c(n1)NC(N1CCN(c3ccccc3)CC1)=[NH+][C@H]2c1ccccc1 ZINC000020028271 558322868 /nfs/dbraw/zinc/32/28/68/558322868.db2.gz DBFTZCDJCPNXEZ-OAQYLSRUSA-N 1 1 400.486 3.409 50 0 HGAAMO Cc1ccc2c(c1)C[N@@H+](CCNC(=O)c1ccc(N3CCCC3=O)cc1)C[C@H](C)O2 ZINC000012158475 558340989 /nfs/dbraw/zinc/34/09/89/558340989.db2.gz OBCMTOQTROWPDD-SFHVURJKSA-N 1 1 407.514 3.135 50 0 HGAAMO Cc1ccc2c(c1)C[N@H+](CCNC(=O)c1ccc(N3CCCC3=O)cc1)C[C@H](C)O2 ZINC000012158475 558340991 /nfs/dbraw/zinc/34/09/91/558340991.db2.gz OBCMTOQTROWPDD-SFHVURJKSA-N 1 1 407.514 3.135 50 0 HGAAMO COc1ccc(C(=O)NC2CC2)c(OC2CC[NH+](Cc3cnn(C(C)C)c3)CC2)c1 ZINC000012205713 558352760 /nfs/dbraw/zinc/35/27/60/558352760.db2.gz ONRVFQPHOMDFFL-UHFFFAOYSA-N 1 1 412.534 3.408 50 0 HGAAMO CN(Cc1cc[nH]n1)C(=O)C1CC[NH+](C2CCN(CCCc3ccccc3)CC2)CC1 ZINC000012301025 558370833 /nfs/dbraw/zinc/37/08/33/558370833.db2.gz QUMOTUGHUPXFAY-UHFFFAOYSA-N 1 1 423.605 3.177 50 0 HGAAMO CC[N@H+]1CCC[C@@H]1CN/C=C1\c2ccccc2C(=O)N(c2cccc(OC)c2)C1=O ZINC000020503692 558381376 /nfs/dbraw/zinc/38/13/76/558381376.db2.gz WIQCTYVOLAHKEM-IPEVAPCJSA-N 1 1 405.498 3.297 50 0 HGAAMO CC(C)[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020714223 558400629 /nfs/dbraw/zinc/40/06/29/558400629.db2.gz YSYXTVVVSQVOCF-QHCPKHFHSA-N 1 1 418.541 3.267 50 0 HGAAMO COc1cccc(CN2C[C@@H]3C[C@@H](c4ccc(O)c(OC)c4)[N@H+]4CCC[C@@]34C2=O)c1 ZINC000012430424 558405201 /nfs/dbraw/zinc/40/52/01/558405201.db2.gz IYOAEJZYQVVOHF-WXVUKLJWSA-N 1 1 408.498 3.347 50 0 HGAAMO COc1ccccc1-n1cc(C(=O)N[C@@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)cn1 ZINC000012439134 558410547 /nfs/dbraw/zinc/41/05/47/558410547.db2.gz WVPMMJRBOAYFQN-OAQYLSRUSA-N 1 1 416.525 3.243 50 0 HGAAMO Cc1nc(NCc2cccc(F)c2)sc1-c1ccn(CC[NH+]2CCOCC2)n1 ZINC000020777463 558412170 /nfs/dbraw/zinc/41/21/70/558412170.db2.gz MPZYTBRCPJNCRW-UHFFFAOYSA-N 1 1 401.511 3.398 50 0 HGAAMO CC[N@H+]1CC[C@]2(CCN(C(=O)c3cc(COc4ccc(OC)cc4Cl)on3)C2)C1 ZINC000020782460 558413154 /nfs/dbraw/zinc/41/31/54/558413154.db2.gz WFKGSRXNBDAVLQ-NRFANRHFSA-N 1 1 419.909 3.474 50 0 HGAAMO COc1cc(CNCc2nc3ccccc3o2)ccc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000012466524 558420430 /nfs/dbraw/zinc/42/04/30/558420430.db2.gz VDHOCFCINJFZRG-SFHVURJKSA-N 1 1 413.518 3.206 50 0 HGAAMO CC[NH+](CC)C[C@H](O)COc1ccc(CNCc2cc(F)cc(F)c2)cc1OC ZINC000012466112 558420463 /nfs/dbraw/zinc/42/04/63/558420463.db2.gz XXWSCFIKDUJPKU-FQEVSTJZSA-N 1 1 408.489 3.345 50 0 HGAAMO O=C(c1nc2ccccn2c1C[NH2+]CC1(N2CCCCC2)CCCC1)N1CCCC1 ZINC000020915785 558422600 /nfs/dbraw/zinc/42/26/00/558422600.db2.gz NZRVQBOMFNWVHV-UHFFFAOYSA-N 1 1 409.578 3.459 50 0 HGAAMO CC[NH+]1CCC(N2CCC(Oc3ccc(C(=O)NCCOC)cc3Cl)CC2)CC1 ZINC000012580848 558432337 /nfs/dbraw/zinc/43/23/37/558432337.db2.gz BOVWYNGANXYWMR-UHFFFAOYSA-N 1 1 423.985 3.044 50 0 HGAAMO O[C@@H](COc1ccc(-c2ccccc2)cc1)C[NH+]1CCN(Cc2ccccn2)CC1 ZINC000022242578 558471858 /nfs/dbraw/zinc/47/18/58/558471858.db2.gz HBEFQHWJTDPXAJ-XMMPIXPASA-N 1 1 403.526 3.306 50 0 HGAAMO Cc1ccc([C@@H](CNC(=O)c2cc(-c3ccc(C)cc3)on2)N2CC[NH+](C)CC2)o1 ZINC000022938489 558527764 /nfs/dbraw/zinc/52/77/64/558527764.db2.gz XKCANDMMFQLQMX-HXUWFJFHSA-N 1 1 408.502 3.270 50 0 HGAAMO COc1cccc(C(=O)[C@H]2CCC[N@@H+](Cc3cn(CC(N)=O)c4ccccc34)C2)c1 ZINC000013596363 558547152 /nfs/dbraw/zinc/54/71/52/558547152.db2.gz KZFSKBBILKNKIG-SFHVURJKSA-N 1 1 405.498 3.230 50 0 HGAAMO OCC[C@H]1CN(Cc2ccc(Oc3ncccn3)cc2)CC[N@@H+]1Cc1ccsc1 ZINC000023359855 558551897 /nfs/dbraw/zinc/55/18/97/558551897.db2.gz UHABOMSAXBZJBE-FQEVSTJZSA-N 1 1 410.543 3.399 50 0 HGAAMO OCC[C@H]1CN(Cc2ccc(Oc3ncccn3)cc2)CC[N@H+]1Cc1ccsc1 ZINC000023359855 558551900 /nfs/dbraw/zinc/55/19/00/558551900.db2.gz UHABOMSAXBZJBE-FQEVSTJZSA-N 1 1 410.543 3.399 50 0 HGAAMO OCC[C@H]1C[N@H+](Cc2ccc(Oc3ncccn3)cc2)CCN1Cc1ccsc1 ZINC000023359855 558551904 /nfs/dbraw/zinc/55/19/04/558551904.db2.gz UHABOMSAXBZJBE-FQEVSTJZSA-N 1 1 410.543 3.399 50 0 HGAAMO OCC[C@H]1C[N@@H+](Cc2ccc(Oc3ncccn3)cc2)CCN1Cc1ccsc1 ZINC000023359855 558551907 /nfs/dbraw/zinc/55/19/07/558551907.db2.gz UHABOMSAXBZJBE-FQEVSTJZSA-N 1 1 410.543 3.399 50 0 HGAAMO O=C(COC(=O)c1cc2ccccc2s1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000023763261 558574953 /nfs/dbraw/zinc/57/49/53/558574953.db2.gz SVHOCCVBAQRQSE-UHFFFAOYSA-N 1 1 416.543 3.209 50 0 HGAAMO COc1cccc(N2C(=O)C[C@H]([NH+]3CCC(c4nc5ccccc5o4)CC3)C2=O)c1 ZINC000014202369 558637582 /nfs/dbraw/zinc/63/75/82/558637582.db2.gz QQEVROAXUJWYGO-IBGZPJMESA-N 1 1 405.454 3.348 50 0 HGAAMO COC(=O)c1cccc(OC[C@H](O)C[N@@H+](C)Cc2ccc(Br)s2)c1 ZINC000014242192 558644749 /nfs/dbraw/zinc/64/47/49/558644749.db2.gz MIRLZTZRMBWKQZ-CYBMUJFWSA-N 1 1 414.321 3.169 50 0 HGAAMO CN1C(=O)N(CCc2ccccc2)C(=O)C12CC[NH+](Cc1nc3ccccc3[nH]1)CC2 ZINC000014741991 558667398 /nfs/dbraw/zinc/66/73/98/558667398.db2.gz VXHHQBHMBBGQMJ-UHFFFAOYSA-N 1 1 417.513 3.034 50 0 HGAAMO COc1ccc(CCN(C)C(=O)CC[N@@H+]2Cc3ccccc3O[C@@H](C)C2)cc1OC ZINC000014974857 558688843 /nfs/dbraw/zinc/68/88/43/558688843.db2.gz ICWGGEUJSCDXDT-SFHVURJKSA-N 1 1 412.530 3.378 50 0 HGAAMO CCc1ccc(C[N@@H+]2CCc3nnc(CNC(=O)c4cc(C)oc4C)n3CC2)cc1 ZINC000014981660 558691876 /nfs/dbraw/zinc/69/18/76/558691876.db2.gz DMLZCJNMZOYZDE-UHFFFAOYSA-N 1 1 407.518 3.039 50 0 HGAAMO COc1ccc(OCc2cc(C(=O)N3CC[N@H+]4CCC[C@H]4C3)no2)c2ccccc12 ZINC000015064170 558706981 /nfs/dbraw/zinc/70/69/81/558706981.db2.gz IYCMHVWVVFNTGX-INIZCTEOSA-N 1 1 407.470 3.336 50 0 HGAAMO CCOC(=O)Cc1csc(NC(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)n1 ZINC000028930988 558707431 /nfs/dbraw/zinc/70/74/31/558707431.db2.gz MCJBIURNGFHZNO-GASCZTMLSA-N 1 1 417.531 3.110 50 0 HGAAMO CCOC(=O)Cc1csc(NC(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)n1 ZINC000028930988 558707432 /nfs/dbraw/zinc/70/74/32/558707432.db2.gz MCJBIURNGFHZNO-GASCZTMLSA-N 1 1 417.531 3.110 50 0 HGAAMO CCOC(=O)c1cnn(-c2ccc(NC(=O)N[C@H]3CC[N@H+]4CCCC[C@H]34)cc2)c1C ZINC000072282588 558713567 /nfs/dbraw/zinc/71/35/67/558713567.db2.gz JXBGZMMNONHKPX-VQTJNVASSA-N 1 1 411.506 3.106 50 0 HGAAMO Cc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(C(=O)Nc4ccccc4)CC3)C2=O)c(C)c1 ZINC000015470160 558740805 /nfs/dbraw/zinc/74/08/05/558740805.db2.gz FNWISYOESJHHKU-OAQYLSRUSA-N 1 1 405.498 3.286 50 0 HGAAMO CC(C)(O)C[N@@H+](CC(=O)Nc1ccc(N2CCCCCC2)cc1)C1CCOCC1 ZINC000072308460 558769373 /nfs/dbraw/zinc/76/93/73/558769373.db2.gz NZGDEOIJDUVBHC-UHFFFAOYSA-N 1 1 403.567 3.257 50 0 HGAAMO C[C@H]([C@H](O)c1ccccc1)[N@H+](C)CC(=O)Nc1c2c(nc3ccccc31)N(C)CC2 ZINC000005061003 558781611 /nfs/dbraw/zinc/78/16/11/558781611.db2.gz MTEJNBMIYJMXNT-MWTRTKDXSA-N 1 1 404.514 3.220 50 0 HGAAMO C[C@H]([C@H](O)c1ccccc1)[N@@H+](C)CC(=O)Nc1c2c(nc3ccccc31)N(C)CC2 ZINC000005061003 558781612 /nfs/dbraw/zinc/78/16/12/558781612.db2.gz MTEJNBMIYJMXNT-MWTRTKDXSA-N 1 1 404.514 3.220 50 0 HGAAMO CCOCc1cc(CN2CC[N@H+](Cc3cccc(C)n3)[C@H](CCO)C2)ccc1OC ZINC000039364724 558820461 /nfs/dbraw/zinc/82/04/61/558820461.db2.gz UNHYGHZDKIOUMJ-HSZRJFAPSA-N 1 1 413.562 3.004 50 0 HGAAMO CCOCc1cc(CN2CC[N@@H+](Cc3cccc(C)n3)[C@H](CCO)C2)ccc1OC ZINC000039364724 558820463 /nfs/dbraw/zinc/82/04/63/558820463.db2.gz UNHYGHZDKIOUMJ-HSZRJFAPSA-N 1 1 413.562 3.004 50 0 HGAAMO CCOCc1cc(C[N@@H+]2CCN(Cc3cccc(C)n3)[C@H](CCO)C2)ccc1OC ZINC000039364724 558820465 /nfs/dbraw/zinc/82/04/65/558820465.db2.gz UNHYGHZDKIOUMJ-HSZRJFAPSA-N 1 1 413.562 3.004 50 0 HGAAMO CCOCc1cc(C[N@H+]2CCN(Cc3cccc(C)n3)[C@H](CCO)C2)ccc1OC ZINC000039364724 558820467 /nfs/dbraw/zinc/82/04/67/558820467.db2.gz UNHYGHZDKIOUMJ-HSZRJFAPSA-N 1 1 413.562 3.004 50 0 HGAAMO Cc1nnc(C(=O)Nc2ccc(C(=O)NCCC[N@@H+]3CCCC[C@@H]3C)cc2)s1 ZINC000033011043 558830420 /nfs/dbraw/zinc/83/04/20/558830420.db2.gz SOIUJTUWUZNORD-AWEZNQCLSA-N 1 1 401.536 3.093 50 0 HGAAMO Cc1nnc(C(=O)Nc2cccc(C(=O)NCC[N@H+](C)C3CCCCC3)c2)s1 ZINC000033022647 558837851 /nfs/dbraw/zinc/83/78/51/558837851.db2.gz FPLUAMPGYBRUSF-UHFFFAOYSA-N 1 1 401.536 3.093 50 0 HGAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1cccc(NC(=O)c2nnc(C3CC3)s2)c1 ZINC000033023052 558839340 /nfs/dbraw/zinc/83/93/40/558839340.db2.gz OAWNUHNYLWSKDH-CQSZACIVSA-N 1 1 413.547 3.272 50 0 HGAAMO CC1(C)[C@@H]2C[C@H]1C(CN1CCC([NH+]3CCC(C(=O)N4CCOCC4)CC3)CC1)=CC2 ZINC000019300348 558866197 /nfs/dbraw/zinc/86/61/97/558866197.db2.gz DAIXNKKKFMNSFS-GMAHTHKFSA-N 1 1 415.622 3.014 50 0 HGAAMO CSCC(=O)N1CCC[C@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000055183344 558875382 /nfs/dbraw/zinc/87/53/82/558875382.db2.gz CEYWQMNLXJBOQH-KRWDZBQOSA-N 1 1 401.498 3.181 50 0 HGAAMO CSc1ccc(CN(C(=O)c2cnc(N3CC[NH+](C)CC3)nc2C)C2CC2)cc1 ZINC000055359396 558880149 /nfs/dbraw/zinc/88/01/49/558880149.db2.gz VGDZYVPRNSCMNX-UHFFFAOYSA-N 1 1 411.575 3.064 50 0 HGAAMO CCc1nc2cccnc2n1CC[NH+]1CCN(C(=O)Nc2ccc(C)cc2C)CC1 ZINC000033139828 558891546 /nfs/dbraw/zinc/89/15/46/558891546.db2.gz GDJVLHJVTAKXLG-UHFFFAOYSA-N 1 1 406.534 3.460 50 0 HGAAMO CCc1nc2cccnc2n1CC[NH+]1CCN(C(=O)Nc2ccccc2Cl)CC1 ZINC000033139818 558891636 /nfs/dbraw/zinc/89/16/36/558891636.db2.gz RBIBUABDJPIUAW-UHFFFAOYSA-N 1 1 412.925 3.497 50 0 HGAAMO CC(C)NC(=O)Nc1ccccc1C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000058148698 558902242 /nfs/dbraw/zinc/90/22/42/558902242.db2.gz NDFXDLLMZVQVLD-SFHVURJKSA-N 1 1 424.545 3.367 50 0 HGAAMO CC(C)NC(=O)Nc1ccccc1C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000058148698 558902244 /nfs/dbraw/zinc/90/22/44/558902244.db2.gz NDFXDLLMZVQVLD-SFHVURJKSA-N 1 1 424.545 3.367 50 0 HGAAMO CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1C[N@H+](C)Cc1ccccc1C ZINC000058158058 558903673 /nfs/dbraw/zinc/90/36/73/558903673.db2.gz SREDCBWWZKFDLD-UHFFFAOYSA-N 1 1 400.548 3.247 50 0 HGAAMO CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1C[N@@H+](C)Cc1ccccc1C ZINC000058158058 558903674 /nfs/dbraw/zinc/90/36/74/558903674.db2.gz SREDCBWWZKFDLD-UHFFFAOYSA-N 1 1 400.548 3.247 50 0 HGAAMO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3csc(Br)c3)cc2)C1 ZINC000058306543 558918246 /nfs/dbraw/zinc/91/82/46/558918246.db2.gz NRAIGUCVOCLSJB-CYBMUJFWSA-N 1 1 422.348 3.460 50 0 HGAAMO NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2NC(=O)c2cc(-c3ccccc3)[nH]n2)C1 ZINC000058441015 558927524 /nfs/dbraw/zinc/92/75/24/558927524.db2.gz LZNPGQMLAIHTNU-SFHVURJKSA-N 1 1 403.486 3.026 50 0 HGAAMO NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2NC(=O)c2cc(-c3ccccc3)n[nH]2)C1 ZINC000058441015 558927528 /nfs/dbraw/zinc/92/75/28/558927528.db2.gz LZNPGQMLAIHTNU-SFHVURJKSA-N 1 1 403.486 3.026 50 0 HGAAMO NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2NC(=O)c2cc(-c3ccccc3)n[nH]2)C1 ZINC000058441015 558927532 /nfs/dbraw/zinc/92/75/32/558927532.db2.gz LZNPGQMLAIHTNU-SFHVURJKSA-N 1 1 403.486 3.026 50 0 HGAAMO Cc1ccc(NC(=O)c2nnc(C(=O)NCCC[N@@H+]3CCCC[C@H]3C)s2)cc1 ZINC000033060422 558954821 /nfs/dbraw/zinc/95/48/21/558954821.db2.gz QOLAJLKOSHNJCY-OAHLLOKOSA-N 1 1 401.536 3.093 50 0 HGAAMO CCOc1ccccc1NC(=O)N1CCN(c2cc(N3CCCC3)nc(C)[nH+]2)CC1 ZINC000072434106 558979631 /nfs/dbraw/zinc/97/96/31/558979631.db2.gz OPOWGELHZZSRAE-UHFFFAOYSA-N 1 1 410.522 3.138 50 0 HGAAMO C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000022056401 558986123 /nfs/dbraw/zinc/98/61/23/558986123.db2.gz NHDGPRQUKLTQJY-REWPJTCUSA-N 1 1 407.558 3.077 50 0 HGAAMO COc1cccc2c(C)cc(-c3cc4c(c(OC)c3)OCC[N@@H+](CCC(N)=O)C4)nc12 ZINC000067714711 558991801 /nfs/dbraw/zinc/99/18/01/558991801.db2.gz OYYVNEGCHQRPJH-UHFFFAOYSA-N 1 1 421.497 3.297 50 0 HGAAMO O=C(NCCc1ccccc1)[C@@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082087023 559036830 /nfs/dbraw/zinc/03/68/30/559036830.db2.gz RDOACWGGHICIIJ-HSZRJFAPSA-N 1 1 406.574 3.117 50 0 HGAAMO CN(Cc1ccccc1)C(=O)[C@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082106820 559038213 /nfs/dbraw/zinc/03/82/13/559038213.db2.gz WVDMRGMARGNJLV-QHCPKHFHSA-N 1 1 406.574 3.417 50 0 HGAAMO O=C(NCc1cccnc1)[C@@H]1CCC[N@H+](C2CCN(Cc3ccccc3F)CC2)C1 ZINC000082120656 559039331 /nfs/dbraw/zinc/03/93/31/559039331.db2.gz FNUZXQOZMYEOFX-OAQYLSRUSA-N 1 1 410.537 3.214 50 0 HGAAMO O=C(NCCc1ccccc1)[C@H]1CCC[N@H+](C2CCN(Cc3nccs3)CC2)C1 ZINC000082121805 559039718 /nfs/dbraw/zinc/03/97/18/559039718.db2.gz YGWCALAKJZTGTP-FQEVSTJZSA-N 1 1 412.603 3.178 50 0 HGAAMO O=C(NCC(F)(F)F)[C@@H]1CCC[N@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000082121948 559039722 /nfs/dbraw/zinc/03/97/22/559039722.db2.gz UBKMIUNJMPLJKD-CQSZACIVSA-N 1 1 410.440 3.187 50 0 HGAAMO Cc1cc(CNC(=O)[C@H]2CCC[N@H+](C3CCN(CCc4ccccc4)CC3)C2)no1 ZINC000082127045 559039795 /nfs/dbraw/zinc/03/97/95/559039795.db2.gz BJOHQNQUXZOQRK-NRFANRHFSA-N 1 1 410.562 3.018 50 0 HGAAMO Cc1cc(CNC(=O)[C@@H]2CCC[N@H+](C3CCN(CCc4ccccc4)CC3)C2)no1 ZINC000082127044 559039919 /nfs/dbraw/zinc/03/99/19/559039919.db2.gz BJOHQNQUXZOQRK-OAQYLSRUSA-N 1 1 410.562 3.018 50 0 HGAAMO O=C(NCc1ccccc1F)[C@@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082134554 559039991 /nfs/dbraw/zinc/03/99/91/559039991.db2.gz JJDZHJZJXVWGSF-OAQYLSRUSA-N 1 1 410.537 3.214 50 0 HGAAMO Cc1nc2cc(OCc3nc(C(=O)N4CC[N@@H+](C)C(C)(C)C4)co3)ccc2s1 ZINC000091382199 559071359 /nfs/dbraw/zinc/07/13/59/559071359.db2.gz JGPINRILZSJCPH-UHFFFAOYSA-N 1 1 400.504 3.338 50 0 HGAAMO Cc1nc2cc(OCc3nc(C(=O)N4CC[N@H+](C)C(C)(C)C4)co3)ccc2s1 ZINC000091382199 559071360 /nfs/dbraw/zinc/07/13/60/559071360.db2.gz JGPINRILZSJCPH-UHFFFAOYSA-N 1 1 400.504 3.338 50 0 HGAAMO Cc1nc2cc(OCc3nc(C(=O)N(C)C[C@@H]4CC[N@@H+](C)C4)co3)ccc2s1 ZINC000091416794 559071550 /nfs/dbraw/zinc/07/15/50/559071550.db2.gz UPPITVSSPAIALS-CQSZACIVSA-N 1 1 400.504 3.195 50 0 HGAAMO CCCc1nc(C(=O)N2CCC3(CC2)c2[nH]cnc2CC[N@@H+]3CC(C)C)cs1 ZINC000095521409 559085292 /nfs/dbraw/zinc/08/52/92/559085292.db2.gz ZFMLHJMCRBMJSC-UHFFFAOYSA-N 1 1 401.580 3.464 50 0 HGAAMO CC(C)OC(=O)N1CCC[C@@H](CCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000095531176 559086776 /nfs/dbraw/zinc/08/67/76/559086776.db2.gz CGIMNVSEJYCUET-NRFANRHFSA-N 1 1 401.551 3.368 50 0 HGAAMO O=C(C1CC[NH+]([C@@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)CC1)N1CCCCCC1 ZINC000100785753 559140914 /nfs/dbraw/zinc/14/09/14/559140914.db2.gz FEEKIVJTYQCCCT-LJQANCHMSA-N 1 1 417.937 3.087 50 0 HGAAMO CC[N@@H+]1CCc2nc(NC(=O)c3nn(CC(C)C)c(=O)c4ccccc43)sc2C1 ZINC000033431845 559192288 /nfs/dbraw/zinc/19/22/88/559192288.db2.gz OQXOKMQHGAIHKW-UHFFFAOYSA-N 1 1 411.531 3.139 50 0 HGAAMO CC[N@H+]1CCc2nc(NC(=O)c3nn(CC(C)C)c(=O)c4ccccc43)sc2C1 ZINC000033431845 559192290 /nfs/dbraw/zinc/19/22/90/559192290.db2.gz OQXOKMQHGAIHKW-UHFFFAOYSA-N 1 1 411.531 3.139 50 0 HGAAMO Cn1c(=O)cc(OCCCC(=O)NCCC[N@@H+](C)Cc2ccccc2)c2ccccc21 ZINC000005067699 559240137 /nfs/dbraw/zinc/24/01/37/559240137.db2.gz UFLLEYJPQFADLZ-UHFFFAOYSA-N 1 1 421.541 3.336 50 0 HGAAMO COC(=O)c1ccc(C(=O)OC)c(NC(=O)C[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000005601446 560629067 /nfs/dbraw/zinc/62/90/67/560629067.db2.gz PACHPAYIRQTNFE-UHFFFAOYSA-N 1 1 424.497 3.153 50 0 HGAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000101409825 560794367 /nfs/dbraw/zinc/79/43/67/560794367.db2.gz UGLPDDLJAMAXJN-PRHHBONVSA-N 1 1 421.884 3.080 50 0 HGAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000101409825 560794368 /nfs/dbraw/zinc/79/43/68/560794368.db2.gz UGLPDDLJAMAXJN-PRHHBONVSA-N 1 1 421.884 3.080 50 0 HGAAMO COC[C@@H](O)C[N@H+](Cc1cccc(OC)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104983919 560858919 /nfs/dbraw/zinc/85/89/19/560858919.db2.gz UUDXGXBJKSEZEV-PZJWPPBQSA-N 1 1 418.921 3.351 50 0 HGAAMO COCCN(C[C@@H]1C[N@@H+](Cc2ccc(C)o2)C[C@@H]1c1cccc(F)c1)C(=O)COC ZINC000105050259 560860802 /nfs/dbraw/zinc/86/08/02/560860802.db2.gz RFSADAQIBLDOOY-SIKLNZKXSA-N 1 1 418.509 3.064 50 0 HGAAMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)CCc3nc4ccccc4c(=O)[nH]3)cc2)C1 ZINC000047109773 560880260 /nfs/dbraw/zinc/88/02/60/560880260.db2.gz DUEMOQOLYZSCKM-SFHVURJKSA-N 1 1 418.541 3.404 50 0 HGAAMO Cc1nccn1-c1ccc(NC(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cn1 ZINC000047275913 560885975 /nfs/dbraw/zinc/88/59/75/560885975.db2.gz RIWOITLIMHWWBS-CALCHBBNSA-N 1 1 405.502 3.437 50 0 HGAAMO Cc1nccn1-c1ccc(NC(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cn1 ZINC000047275913 560885976 /nfs/dbraw/zinc/88/59/76/560885976.db2.gz RIWOITLIMHWWBS-CALCHBBNSA-N 1 1 405.502 3.437 50 0 HGAAMO C[N@H+]1CCN(CCNC(=O)c2cc(C3CC3)nn2C(C)(C)C)[C@@H](c2ccccc2)C1 ZINC000048276461 568435578 /nfs/dbraw/zinc/43/55/78/568435578.db2.gz TWMKFUHKFHXIIA-JOCHJYFZSA-N 1 1 409.578 3.234 50 0 HGAAMO CCN1CC[NH+](Cc2ccccc2CNC(=O)Cc2c(C)[nH]c3ccccc32)CC1 ZINC000049734242 568453194 /nfs/dbraw/zinc/45/31/94/568453194.db2.gz JWXMTWHOZXVYLC-UHFFFAOYSA-N 1 1 404.558 3.473 50 0 HGAAMO O[C@@H](COc1ccc(Br)cc1)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000022358433 568484927 /nfs/dbraw/zinc/48/49/27/568484927.db2.gz MUUXBUYJUALOFH-LJQANCHMSA-N 1 1 405.336 3.007 50 0 HGAAMO CCc1nc2cccnc2n1CC[NH+]1CCN(C(=O)Nc2cc(C)ccc2C)CC1 ZINC000033139817 568511355 /nfs/dbraw/zinc/51/13/55/568511355.db2.gz PPKSTVQGHNKHHJ-UHFFFAOYSA-N 1 1 406.534 3.460 50 0 HGAAMO O=C1C[C@H](N2CC[NH+](Cc3ccccc3)CC2)C(=O)N1c1ccccc1C(F)(F)F ZINC000020494461 568615651 /nfs/dbraw/zinc/61/56/51/568615651.db2.gz VJUZXZKEHGSFGT-IBGZPJMESA-N 1 1 417.431 3.155 50 0 HGAAMO O=S(=O)(c1ccccc1Br)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000030383572 568675504 /nfs/dbraw/zinc/67/55/04/568675504.db2.gz QASWYGUFKSBPOM-UHFFFAOYSA-N 1 1 415.378 3.407 50 0 HGAAMO O=S(=O)(c1ccccc1Br)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000030383572 568675508 /nfs/dbraw/zinc/67/55/08/568675508.db2.gz QASWYGUFKSBPOM-UHFFFAOYSA-N 1 1 415.378 3.407 50 0 HGAAMO O=C(NC1(C(=O)Nc2ccccc2)CC[NH+](Cc2ccccc2)CC1)C(F)(F)F ZINC000095997646 568679339 /nfs/dbraw/zinc/67/93/39/568679339.db2.gz KNXPMYWFCPFVIC-UHFFFAOYSA-N 1 1 405.420 3.338 50 0 HGAAMO CCn1cc(C[N@H+]2CCC[C@H](c3n[nH]cc3NC(=O)c3ccc(OC)cc3)C2)cn1 ZINC000096000198 568680922 /nfs/dbraw/zinc/68/09/22/568680922.db2.gz MSLVEJOTUKQLFX-SFHVURJKSA-N 1 1 408.506 3.267 50 0 HGAAMO CC[NH+]1CCN(C(=O)c2cc3cc(NC(=O)COCc4ccccc4)ccc3[nH]2)CC1 ZINC000096277167 568715788 /nfs/dbraw/zinc/71/57/88/568715788.db2.gz LXUXPBBKXUQKRM-UHFFFAOYSA-N 1 1 420.513 3.101 50 0 HGAAMO O=C([C@@H]1COc2ccccc2O1)N1CCC[C@@H]2C[N@@H+](CCc3ccccc3)CC[C@@H]21 ZINC000014990459 568718523 /nfs/dbraw/zinc/71/85/23/568718523.db2.gz PSBWLZAYCKPSDO-DPLHUUCSSA-N 1 1 406.526 3.382 50 0 HGAAMO C[C@@H]1C[NH+](C[C@H](O)COc2ccc(Br)cc2Br)C[C@@H](C)O1 ZINC000012420335 568720375 /nfs/dbraw/zinc/72/03/75/568720375.db2.gz ZNGPEHWUSWLOND-WZRBSPASSA-N 1 1 423.145 3.061 50 0 HGAAMO Cc1cc(-c2cc(S(=O)(=O)N3CC[NH+](C4CCCCC4)CC3)c(C)s2)n[nH]1 ZINC000096341448 568736976 /nfs/dbraw/zinc/73/69/76/568736976.db2.gz XLJRDFGANPWWPW-UHFFFAOYSA-N 1 1 408.593 3.394 50 0 HGAAMO COC(=O)c1cccc(NC(=O)c2[nH]c3cc(C)sc3c2C[NH+]2CCOCC2)c1 ZINC000096363826 568739659 /nfs/dbraw/zinc/73/96/59/568739659.db2.gz GRFGAISUDSTTGB-UHFFFAOYSA-N 1 1 413.499 3.409 50 0 HGAAMO Cc1cccc(-n2c(CC(=O)NCC[N@@H+]3CCCC[C@@H]3C)c3[nH]cccc-3c2=O)c1 ZINC000096387073 568743954 /nfs/dbraw/zinc/74/39/54/568743954.db2.gz FQVWUWPKZYEKMO-RXVVDRJESA-N 1 1 406.530 3.472 50 0 HGAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)Cn1nnc(-c2ccccc2Cl)n1 ZINC000000974313 568759383 /nfs/dbraw/zinc/75/93/83/568759383.db2.gz SSDCVOWMGCLSRS-PXNSSMCTSA-N 1 1 422.920 3.136 50 0 HGAAMO CCN1CC[NH+](CCCNC(=O)c2cc(-c3ccccn3)nc3ccccc32)CC1 ZINC000021934131 568761878 /nfs/dbraw/zinc/76/18/78/568761878.db2.gz WONYGYXYSPDDJX-UHFFFAOYSA-N 1 1 403.530 3.054 50 0 HGAAMO C[C@H](c1cccc(N2CCOC2=O)c1)[NH+]1CCN(Cc2cn3ccccc3n2)CC1 ZINC000097165349 568769582 /nfs/dbraw/zinc/76/95/82/568769582.db2.gz GLURAXWGFHBTMA-GOSISDBHSA-N 1 1 405.502 3.170 50 0 HGAAMO C[C@@H](c1cccc(N2CCOC2=O)c1)[NH+]1CCN(Cc2cn3ccccc3n2)CC1 ZINC000097165348 568769589 /nfs/dbraw/zinc/76/95/89/568769589.db2.gz GLURAXWGFHBTMA-SFHVURJKSA-N 1 1 405.502 3.170 50 0 HGAAMO C[C@H]1CCCN(S(=O)(=O)NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)C1 ZINC000056124619 568786517 /nfs/dbraw/zinc/78/65/17/568786517.db2.gz SPMJJODZROVYCG-HNNXBMFYSA-N 1 1 419.513 3.236 50 0 HGAAMO C[NH+]1CCN(c2ccc(C(=O)N[C@@H]3CCOc4c(Cl)cccc43)cc2F)CC1 ZINC000057265200 568825236 /nfs/dbraw/zinc/82/52/36/568825236.db2.gz ARHKKWAGNSYJII-GOSISDBHSA-N 1 1 403.885 3.485 50 0 HGAAMO CCOc1ccccc1[C@H]1NC(=O)NC(C[N@H+](CC)Cc2ccccc2)=C1C(=O)OC ZINC000057415677 568834032 /nfs/dbraw/zinc/83/40/32/568834032.db2.gz MFZMAPJGDZWLLK-JOCHJYFZSA-N 1 1 423.513 3.388 50 0 HGAAMO CCOc1ccccc1[C@H]1NC(=O)NC(C[N@@H+](CC)Cc2ccccc2)=C1C(=O)OC ZINC000057415677 568834035 /nfs/dbraw/zinc/83/40/35/568834035.db2.gz MFZMAPJGDZWLLK-JOCHJYFZSA-N 1 1 423.513 3.388 50 0 HGAAMO CCOc1ccccc1[C@H]1NC(=O)N=C(C[N@H+](CC)Cc2ccccc2)C1C(=O)OC ZINC000057415677 568834039 /nfs/dbraw/zinc/83/40/39/568834039.db2.gz MFZMAPJGDZWLLK-JOCHJYFZSA-N 1 1 423.513 3.388 50 0 HGAAMO CCOc1ccccc1[C@H]1NC(=O)N=C(C[N@@H+](CC)Cc2ccccc2)C1C(=O)OC ZINC000057415677 568834041 /nfs/dbraw/zinc/83/40/41/568834041.db2.gz MFZMAPJGDZWLLK-JOCHJYFZSA-N 1 1 423.513 3.388 50 0 HGAAMO C[C@@H]([NH2+]CC(=O)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1)c1ccccc1Cl ZINC000057650872 568857334 /nfs/dbraw/zinc/85/73/34/568857334.db2.gz PJCSYQZAURAILA-NVXWUHKLSA-N 1 1 406.935 3.211 50 0 HGAAMO O=C(NCc1cccnc1)[C@@H]1CC12CC[NH+](Cc1cc3c(cc1Cl)OCO3)CC2 ZINC000299790170 568875839 /nfs/dbraw/zinc/87/58/39/568875839.db2.gz ARZHHEAFQCYMNF-KRWDZBQOSA-N 1 1 413.905 3.382 50 0 HGAAMO O=S(=O)(N[C@H]1CCCC[C@@H]1[NH+]1CCN(c2ccc(F)cc2)CC1)c1ccccc1 ZINC000058085792 568884061 /nfs/dbraw/zinc/88/40/61/568884061.db2.gz QVGHQOZTHWBEMR-VXKWHMMOSA-N 1 1 417.550 3.237 50 0 HGAAMO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1ccco1 ZINC000003378647 568891794 /nfs/dbraw/zinc/89/17/94/568891794.db2.gz JMMDTGNTPCFMCW-AEFFLSMTSA-N 1 1 403.910 3.204 50 0 HGAAMO CC[NH+]1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cc(OC)ccc2OC)CC1 ZINC000058148806 568892292 /nfs/dbraw/zinc/89/22/92/568892292.db2.gz IMPWYGUWPXMKEU-UHFFFAOYSA-N 1 1 420.513 3.334 50 0 HGAAMO COCC[N@@H+](C)CC[C@@H](NC(=O)C(=O)Nc1ccc(Cl)cc1F)c1ccccc1 ZINC000083859402 568921378 /nfs/dbraw/zinc/92/13/78/568921378.db2.gz WTGNMFGTFPEIHA-GOSISDBHSA-N 1 1 421.900 3.243 50 0 HGAAMO O=C(NC[C@@H]1CCC[N@@H+](CCc2ccccc2)C1)C1(N2CCOCC2)CCCCC1 ZINC000670459291 568947314 /nfs/dbraw/zinc/94/73/14/568947314.db2.gz SFCQDOPPICWZEC-QHCPKHFHSA-N 1 1 413.606 3.092 50 0 HGAAMO CCC[C@@H]1CN(CC(=O)N(C(C)C)C(C)C)CC[N@@H+]1CC(=O)N(C(C)C)C(C)C ZINC000084740838 568957951 /nfs/dbraw/zinc/95/79/51/568957951.db2.gz JOTZXNFHNLYHPD-OAQYLSRUSA-N 1 1 410.647 3.064 50 0 HGAAMO CCC[C@@H]1CN(CC(=O)N(C(C)C)C(C)C)CC[N@H+]1CC(=O)N(C(C)C)C(C)C ZINC000084740838 568957952 /nfs/dbraw/zinc/95/79/52/568957952.db2.gz JOTZXNFHNLYHPD-OAQYLSRUSA-N 1 1 410.647 3.064 50 0 HGAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc(Nc2ccnc(-c3ccccc3)n2)cc1 ZINC000085649922 569005712 /nfs/dbraw/zinc/00/57/12/569005712.db2.gz NQDQPBHZFQNROR-UHFFFAOYSA-N 1 1 417.513 3.339 50 0 HGAAMO CCOc1ccc(CN2CC[N@@H+](Cc3cccc(-n4cccn4)c3)C[C@H]2CCO)cc1 ZINC000104373317 569008548 /nfs/dbraw/zinc/00/85/48/569008548.db2.gz BMNYEVARHZZMNA-XMMPIXPASA-N 1 1 420.557 3.340 50 0 HGAAMO CCOc1ccc(C[N@H+]2CCN(Cc3cccc(-n4cccn4)c3)C[C@H]2CCO)cc1 ZINC000104373317 569008550 /nfs/dbraw/zinc/00/85/50/569008550.db2.gz BMNYEVARHZZMNA-XMMPIXPASA-N 1 1 420.557 3.340 50 0 HGAAMO Cc1cccc(OC[C@@H](O)C[N@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c1 ZINC000012905282 569020963 /nfs/dbraw/zinc/02/09/63/569020963.db2.gz DLIONJIXNAEDCJ-SFHVURJKSA-N 1 1 409.452 3.361 50 0 HGAAMO COc1cc(C(=O)N2CC[NH+](Cc3cccc4cccnc43)CC2)cc(OC)c1OC ZINC000012914113 569022074 /nfs/dbraw/zinc/02/20/74/569022074.db2.gz VKHBDPCYBVHESI-UHFFFAOYSA-N 1 1 421.497 3.219 50 0 HGAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1 ZINC000035397963 569035064 /nfs/dbraw/zinc/03/50/64/569035064.db2.gz RVSLLEQIYSTXSK-PZJWPPBQSA-N 1 1 407.562 3.351 50 0 HGAAMO C[NH+](C)[C@H](CNS(=O)(=O)c1cccc2nsnc21)c1cc2ccccc2o1 ZINC000575619405 569038814 /nfs/dbraw/zinc/03/88/14/569038814.db2.gz DRIIFOWIJRXYCS-CQSZACIVSA-N 1 1 402.501 3.019 50 0 HGAAMO CCc1ccc(NC(=O)[C@H](CCSC)NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000035485529 569039774 /nfs/dbraw/zinc/03/97/74/569039774.db2.gz SFAJBHFFAZTTBJ-SFTDATJTSA-N 1 1 411.571 3.140 50 0 HGAAMO COc1ccc(NC(=O)NCCNc2cc(-n3nc(C)cc3C)nc(C)[nH+]2)c(C)c1 ZINC000035597352 569045671 /nfs/dbraw/zinc/04/56/71/569045671.db2.gz SBAUKORRHCKUIW-UHFFFAOYSA-N 1 1 409.494 3.138 50 0 HGAAMO CC(C)[C@H](CNC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)[NH+]1CCOCC1 ZINC000012998559 569048881 /nfs/dbraw/zinc/04/88/81/569048881.db2.gz RWOCOSOWZOOJHC-NRFANRHFSA-N 1 1 410.518 3.417 50 0 HGAAMO CCCN1CCN(c2nnc(-n3cccc3C[NH2+]Cc3ccccc3F)s2)CC1 ZINC000007002112 569051765 /nfs/dbraw/zinc/05/17/65/569051765.db2.gz DJRYQBJUKJRZCW-UHFFFAOYSA-N 1 1 414.554 3.290 50 0 HGAAMO Cc1ccc(CN2CC[N@@H+](Cc3c(C)cc(C)cc3-n3cccn3)C[C@H]2CCO)o1 ZINC000036385627 569052266 /nfs/dbraw/zinc/05/22/66/569052266.db2.gz FDXXOIXYUWAKOP-OAQYLSRUSA-N 1 1 408.546 3.459 50 0 HGAAMO Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@@H+]4[C@]4(C(=O)Nc5ccc(Cl)cc54)[C@H]3C2=O)cc1 ZINC000245242307 569055347 /nfs/dbraw/zinc/05/53/47/569055347.db2.gz ZUBDDXQNELUVSP-LVBDUCALSA-N 1 1 421.884 3.080 50 0 HGAAMO Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@H+]4[C@]4(C(=O)Nc5ccc(Cl)cc54)[C@H]3C2=O)cc1 ZINC000245242307 569055348 /nfs/dbraw/zinc/05/53/48/569055348.db2.gz ZUBDDXQNELUVSP-LVBDUCALSA-N 1 1 421.884 3.080 50 0 HGAAMO Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4ccccc43)[C@H]2C1=O ZINC000247891117 569057557 /nfs/dbraw/zinc/05/75/57/569057557.db2.gz VOPLWFGSMDFFHN-OSJYTEGDSA-N 1 1 421.884 3.080 50 0 HGAAMO C[N@@H+]1CC[C@H](NC(=O)C2CCN(CC(F)(F)F)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000089375119 569059118 /nfs/dbraw/zinc/05/91/18/569059118.db2.gz MLCKUKIHEVTQGA-IRXDYDNUSA-N 1 1 403.876 3.476 50 0 HGAAMO C[N@H+]1CC[C@H](NC(=O)C2CCN(CC(F)(F)F)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000089375119 569059119 /nfs/dbraw/zinc/05/91/19/569059119.db2.gz MLCKUKIHEVTQGA-IRXDYDNUSA-N 1 1 403.876 3.476 50 0 HGAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000035844133 569062506 /nfs/dbraw/zinc/06/25/06/569062506.db2.gz OIQLTZDNZIKXLG-ZHSNQQFMSA-N 1 1 421.884 3.080 50 0 HGAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000035844133 569062507 /nfs/dbraw/zinc/06/25/07/569062507.db2.gz OIQLTZDNZIKXLG-ZHSNQQFMSA-N 1 1 421.884 3.080 50 0 HGAAMO CC[C@@H]1Oc2ccc(C)cc2N(CC(=O)NCCC[N@@H+]2CCCC[C@@H]2CC)C1=O ZINC000169301646 569065879 /nfs/dbraw/zinc/06/58/79/569065879.db2.gz SDAAHTTYDIXUBO-ICSRJNTNSA-N 1 1 401.551 3.270 50 0 HGAAMO Cc1cc(Cl)cc(Cl)c1CNC(=O)N1CCC([N@H+]2CCC[C@H](O)C2)CC1 ZINC000426485673 569073141 /nfs/dbraw/zinc/07/31/41/569073141.db2.gz OCGYXAKCAPEHEE-INIZCTEOSA-N 1 1 400.350 3.433 50 0 HGAAMO COCCC[N@H+](Cc1cccc(OC)c1OC)C[C@H](O)COCc1ccccc1 ZINC000036097164 569090186 /nfs/dbraw/zinc/09/01/86/569090186.db2.gz RSKCGMIADNKZCZ-NRFANRHFSA-N 1 1 403.519 3.120 50 0 HGAAMO CCCC(=O)OC[C@H](O)C[N@@H+](Cc1ccc(OC)cc1)Cc1ccc2c(c1)OCO2 ZINC000036102344 569091865 /nfs/dbraw/zinc/09/18/65/569091865.db2.gz FNSTYBILEJPEBS-LJQANCHMSA-N 1 1 415.486 3.130 50 0 HGAAMO C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000036389649 569165414 /nfs/dbraw/zinc/16/54/14/569165414.db2.gz TWPBGMPCHBCGCB-BEFAXECRSA-N 1 1 409.486 3.111 50 0 HGAAMO C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000036389649 569165416 /nfs/dbraw/zinc/16/54/16/569165416.db2.gz TWPBGMPCHBCGCB-BEFAXECRSA-N 1 1 409.486 3.111 50 0 HGAAMO CCOC(=O)[C@@H]1CCCCN1C(=O)C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000006978589 569192604 /nfs/dbraw/zinc/19/26/04/569192604.db2.gz JLKLQDBLNBTYND-SFHVURJKSA-N 1 1 415.559 3.420 50 0 HGAAMO CCc1cc(C(=O)N2CC[NH+](CC)CC2)c2c(C)nn(-c3ccc(OC)cc3)c2n1 ZINC000036621685 569212316 /nfs/dbraw/zinc/21/23/16/569212316.db2.gz DGIYWWVSWJZWBE-UHFFFAOYSA-N 1 1 407.518 3.078 50 0 HGAAMO FC(F)(F)c1ccc(C[NH+]2CCN(c3cnn4c(c3)nnc4C3CC3)CC2)cc1 ZINC000065282596 569216391 /nfs/dbraw/zinc/21/63/91/569216391.db2.gz BQEYUBVDLCBOSB-UHFFFAOYSA-N 1 1 402.424 3.343 50 0 HGAAMO C[C@H](c1ccccc1)[N@H+]1CC[C@](F)(COC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)C1 ZINC000170595878 569241561 /nfs/dbraw/zinc/24/15/61/569241561.db2.gz XLTWXKWDRSVIMP-HCLVMJGWSA-N 1 1 402.510 3.353 50 0 HGAAMO O[C@H](COCc1cccs1)C[N@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000089774527 569263772 /nfs/dbraw/zinc/26/37/72/569263772.db2.gz KRLFBOVKRHFLTK-XYJFISCASA-N 1 1 401.450 3.452 50 0 HGAAMO CC(C)c1c(C(=O)NC[C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)cnn1-c1ccc(F)cc1 ZINC000089891155 569267803 /nfs/dbraw/zinc/26/78/03/569267803.db2.gz YBQCSPGFAGDIBC-RTBURBONSA-N 1 1 400.498 3.118 50 0 HGAAMO CC(C)c1c(C(=O)NC[C@@H]2C[N@H+]3CCCC[C@@H]3CO2)cnn1-c1ccc(F)cc1 ZINC000089891155 569267805 /nfs/dbraw/zinc/26/78/05/569267805.db2.gz YBQCSPGFAGDIBC-RTBURBONSA-N 1 1 400.498 3.118 50 0 HGAAMO Cc1cccc(S(=O)(=O)N2CCN(c3nc(Nc4ccccc4)cc(C)[nH+]3)CC2)c1 ZINC000017135489 569275267 /nfs/dbraw/zinc/27/52/67/569275267.db2.gz NMGVVCDPNBHVCJ-UHFFFAOYSA-N 1 1 423.542 3.348 50 0 HGAAMO O=C(Cn1nc(C(F)F)c2c1CCC2)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000252430808 569285522 /nfs/dbraw/zinc/28/55/22/569285522.db2.gz LGZYSMIYCRLFCD-KRWDZBQOSA-N 1 1 415.488 3.233 50 0 HGAAMO Cc1sc(-c2ccco2)nc1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000252517178 569292249 /nfs/dbraw/zinc/29/22/49/569292249.db2.gz BJTHURNOIMYEGL-ZWKOTPCHSA-N 1 1 411.527 3.324 50 0 HGAAMO C[C@H](OC[C@@H]1CCCCO1)C(=O)Nc1ccnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000252570425 569294293 /nfs/dbraw/zinc/29/42/93/569294293.db2.gz WSQBRNLMPJFREI-JBACZVJFSA-N 1 1 412.534 3.243 50 0 HGAAMO COc1ccc(C[N@H+](CC(=O)NCC(=O)Nc2cccc(Cl)c2C)C2CC2)cc1 ZINC000007662344 569299711 /nfs/dbraw/zinc/29/97/11/569299711.db2.gz OFRVJVUGWAPOTQ-UHFFFAOYSA-N 1 1 415.921 3.376 50 0 HGAAMO COc1ccc(C[N@@H+](CC(=O)NCC(=O)Nc2cccc(Cl)c2C)C2CC2)cc1 ZINC000007662344 569299712 /nfs/dbraw/zinc/29/97/12/569299712.db2.gz OFRVJVUGWAPOTQ-UHFFFAOYSA-N 1 1 415.921 3.376 50 0 HGAAMO CC(C)C[NH+]1CCN([C@@H]2CCOC3(CCN(C(=O)NC4CCCCC4)CC3)C2)CC1 ZINC000581819744 569320754 /nfs/dbraw/zinc/32/07/54/569320754.db2.gz HNFYDLPIMNZPEP-JOCHJYFZSA-N 1 1 420.642 3.316 50 0 HGAAMO C[C@@H]1[C@H]2CC[C@@]3(O)[C@@H]4C[C@H](O)[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4C[C@H]3[C@@H]2C[N@H+]2CCCC[C@@H]12 ZINC000253487503 569381685 /nfs/dbraw/zinc/38/16/85/569381685.db2.gz LENMDDFRAPDCRB-OSDNSFSISA-N 1 1 417.634 3.432 50 0 HGAAMO COc1ccc([C@H](O)C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)cc1OC ZINC000012660090 569402598 /nfs/dbraw/zinc/40/25/98/569402598.db2.gz RZTRQDYTALSTEQ-JKSUJKDBSA-N 1 1 401.459 3.094 50 0 biogenic HGAAMO C[C@@H](Cc1ccccc1F)C(=O)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)nc2c1 ZINC000078825117 569420772 /nfs/dbraw/zinc/42/07/72/569420772.db2.gz FEZZLICWDVZVQH-INIZCTEOSA-N 1 1 410.493 3.394 50 0 HGAAMO COCCN(CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(=O)OC(C)(C)C ZINC000079024588 569424719 /nfs/dbraw/zinc/42/47/19/569424719.db2.gz VBXPKKYANUBTPK-QUCCMNQESA-N 1 1 419.566 3.039 50 0 HGAAMO Cc1[nH+]ccn1-c1ccc([C@H](C)NS(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1 ZINC000079048552 569425347 /nfs/dbraw/zinc/42/53/47/569425347.db2.gz JRJMFWGGLPQOSK-AWEZNQCLSA-N 1 1 409.467 3.327 50 0 HGAAMO CCC[N@H+]1CCc2nc(SCC(=O)Nc3ccc(OC)c(Cl)c3)[nH]c(=O)c2C1 ZINC000067291746 571068363 /nfs/dbraw/zinc/06/83/63/571068363.db2.gz QYFQQKUMBLEWCC-UHFFFAOYSA-N 1 1 422.938 3.343 50 0 HGAAMO C[C@@H](NC(=O)OCc1ccccc1)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000039976130 571135613 /nfs/dbraw/zinc/13/56/13/571135613.db2.gz WOCMOECVIBGTKX-BEFAXECRSA-N 1 1 403.910 3.374 50 0 HGAAMO C[C@H](NC(=O)OCc1ccccc1)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000039976129 571135639 /nfs/dbraw/zinc/13/56/39/571135639.db2.gz WOCMOECVIBGTKX-KXBFYZLASA-N 1 1 403.910 3.374 50 0 HGAAMO Cc1nc(CSCCC(=O)NCC[NH+]2CCN(c3ccccc3)CC2)cs1 ZINC000040087027 571157622 /nfs/dbraw/zinc/15/76/22/571157622.db2.gz MDPANGANBBBPHE-UHFFFAOYSA-N 1 1 404.605 3.013 50 0 HGAAMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)CCN2C(=O)c3ccccc3C2=O)C1 ZINC000040112264 571170563 /nfs/dbraw/zinc/17/05/63/571170563.db2.gz NPJPNSXYESBKAI-GOSISDBHSA-N 1 1 419.525 3.221 50 0 HGAAMO O=S(=O)(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)c2ncccc12 ZINC000040152939 571200572 /nfs/dbraw/zinc/20/05/72/571200572.db2.gz LWDOPPKXPNGNCD-INIZCTEOSA-N 1 1 401.919 3.441 50 0 HGAAMO COC(=O)c1ccc(NC(=O)C2CC[NH+](CC(=O)Nc3cc(C)cc(C)c3)CC2)cc1 ZINC000009067490 571218226 /nfs/dbraw/zinc/21/82/26/571218226.db2.gz YCVSIGDRNDAWBP-UHFFFAOYSA-N 1 1 423.513 3.379 50 0 HGAAMO CCOC(=O)C1=C(C[N@@H+]2CC[C@@H](c3ccccc3)C2)NC(=O)N[C@H]1c1ccc(F)cc1 ZINC000245276785 571222247 /nfs/dbraw/zinc/22/22/47/571222247.db2.gz WCLXLKQTPFXVDL-GCJKJVERSA-N 1 1 423.488 3.486 50 0 HGAAMO CCOC(=O)C1=C(C[N@H+]2CC[C@@H](c3ccccc3)C2)NC(=O)N[C@H]1c1ccc(F)cc1 ZINC000245276785 571222248 /nfs/dbraw/zinc/22/22/48/571222248.db2.gz WCLXLKQTPFXVDL-GCJKJVERSA-N 1 1 423.488 3.486 50 0 HGAAMO CCOC(=O)C1C(C[N@@H+]2CC[C@@H](c3ccccc3)C2)=NC(=O)N[C@H]1c1ccc(F)cc1 ZINC000245276785 571222250 /nfs/dbraw/zinc/22/22/50/571222250.db2.gz WCLXLKQTPFXVDL-GCJKJVERSA-N 1 1 423.488 3.486 50 0 HGAAMO CCOC(=O)C1C(C[N@H+]2CC[C@@H](c3ccccc3)C2)=NC(=O)N[C@H]1c1ccc(F)cc1 ZINC000245276785 571222251 /nfs/dbraw/zinc/22/22/51/571222251.db2.gz WCLXLKQTPFXVDL-GCJKJVERSA-N 1 1 423.488 3.486 50 0 HGAAMO Cn1c(=O)c2ccc(C(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)cc2[nH]c1=S ZINC000010457053 571303430 /nfs/dbraw/zinc/30/34/30/571303430.db2.gz MZYCOBFANTWZEJ-UHFFFAOYSA-N 1 1 422.554 3.138 50 0 HGAAMO Cn1c(=O)cc(OCCCC(=O)N2CC[NH+](Cc3ccccc3)CC2)c2ccccc21 ZINC000020280383 571314641 /nfs/dbraw/zinc/31/46/41/571314641.db2.gz QUYRMNWLQJBFHP-UHFFFAOYSA-N 1 1 419.525 3.042 50 0 HGAAMO Fc1ccc2[nH]c3c(ncnc3N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c2c1 ZINC000002262469 132250819 /nfs/dbraw/zinc/25/08/19/132250819.db2.gz HBVIUQRSDMYKQV-UHFFFAOYSA-N 1 1 405.433 3.301 50 0 HGAAMO Cc1ccc2[nH]c3c(ncnc3N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c2c1 ZINC000002277132 132251169 /nfs/dbraw/zinc/25/11/69/132251169.db2.gz BBBWTSWRVUCTEN-UHFFFAOYSA-N 1 1 401.470 3.470 50 0 HGAAMO CCc1cc(N2CC[NH+](C)CC2)nc(SCc2cccc(C(=O)NC(C)C)c2)n1 ZINC000006874767 132319619 /nfs/dbraw/zinc/31/96/19/132319619.db2.gz ODRLOJMJGGXURY-UHFFFAOYSA-N 1 1 413.591 3.221 50 0 HGAAMO CCCSc1nc2c3c(sc2c(N2CC[NH+](CCO)CC2)n1)CC(C)(C)OC3 ZINC000020591430 520569104 /nfs/dbraw/zinc/56/91/04/520569104.db2.gz ZDTKJEWHVQGMSS-UHFFFAOYSA-N 1 1 422.620 3.159 50 0 HGAAMO CCC(CC)[C@H](CNC(=O)C(=O)Nc1cc(Cl)ccc1Cl)[NH+]1CCOCC1 ZINC000041320257 521617245 /nfs/dbraw/zinc/61/72/45/521617245.db2.gz FBPRCSXFMRDBML-KRWDZBQOSA-N 1 1 416.349 3.185 50 0 HGAAMO COC(=O)c1ccc(-c2noc(CN3CCC[N@H+](Cc4cccc(F)c4)CC3)n2)cc1 ZINC000020540873 521932274 /nfs/dbraw/zinc/93/22/74/521932274.db2.gz BWFIFTDHKQQZRU-UHFFFAOYSA-N 1 1 424.476 3.370 50 0 HGAAMO COC(=O)c1ccc(-c2noc(CN3CCC[N@@H+](Cc4cccc(F)c4)CC3)n2)cc1 ZINC000020540873 521932286 /nfs/dbraw/zinc/93/22/86/521932286.db2.gz BWFIFTDHKQQZRU-UHFFFAOYSA-N 1 1 424.476 3.370 50 0 HGAAMO C[NH+](C)[C@@H](CNC(=O)C1CCN(C(=O)c2cccnc2)CC1)c1ccccc1Cl ZINC000032778273 522007566 /nfs/dbraw/zinc/00/75/66/522007566.db2.gz VCWQHESAHYKIRM-FQEVSTJZSA-N 1 1 414.937 3.006 50 0 HGAAMO CN(C(=O)c1csc(NC(=O)c2cccc(C(F)(F)F)c2)n1)[C@H]1CC[N@@H+](C)C1 ZINC000040355603 523963200 /nfs/dbraw/zinc/96/32/00/523963200.db2.gz JUSBKXIBLQRWLJ-ZDUSSCGKSA-N 1 1 412.437 3.190 50 0 HGAAMO COc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(N4CCCC4=O)cc3)CC2)cc1 ZINC000032879992 524026950 /nfs/dbraw/zinc/02/69/50/524026950.db2.gz XZGUJOLNZQDZNH-UHFFFAOYSA-N 1 1 407.514 3.170 50 0 HGAAMO O=C(C1CCCCC1)N1CCC[C@@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000020600537 526298808 /nfs/dbraw/zinc/29/88/08/526298808.db2.gz YTBRMIWAYZKRQP-OAQYLSRUSA-N 1 1 413.562 3.104 50 0 HGAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)Nc1ccc(C(=O)N2CCCC2)cc1 ZINC000044014542 527573262 /nfs/dbraw/zinc/57/32/62/527573262.db2.gz KWARLDWFGRGRIJ-UHFFFAOYSA-N 1 1 414.550 3.079 50 0 HGAAMO COCCN(C[C@H]1C[N@@H+](Cc2ccc(C)o2)C[C@H]1c1cccc(F)c1)C(=O)COC ZINC000034740556 557444079 /nfs/dbraw/zinc/44/40/79/557444079.db2.gz RFSADAQIBLDOOY-KNQAVFIVSA-N 1 1 418.509 3.064 50 0 HGAAMO O=c1cc(-c2ccccc2)c2ccc3c(c2o1)CN(CCC[NH+]1CCOCC1)CO3 ZINC000006670455 557713376 /nfs/dbraw/zinc/71/33/76/557713376.db2.gz PTRGIJRBLIOLND-UHFFFAOYSA-N 1 1 406.482 3.334 50 0 biogenic HGAAMO COCCOC(=O)C1=C(C)[NH+]=C2Nc3ccccc3N2[C@H]1c1ccc(O)c(OC)c1 ZINC000008739014 557803417 /nfs/dbraw/zinc/80/34/17/557803417.db2.gz DFNFWTWNLDULMG-FQEVSTJZSA-N 1 1 409.442 3.207 50 0 HGAAMO C[C@@H](CNC(=O)CC[N@H+]1Cc2cc(Cl)ccc2O[C@H](C)C1)Oc1cccnc1 ZINC000015005475 557845150 /nfs/dbraw/zinc/84/51/50/557845150.db2.gz LCJJXAOQEGOAQA-JKSUJKDBSA-N 1 1 403.910 3.292 50 0 HGAAMO C[C@@H](CNC(=O)CC[N@@H+]1Cc2cc(Cl)ccc2O[C@H](C)C1)Oc1cccnc1 ZINC000015005475 557845153 /nfs/dbraw/zinc/84/51/53/557845153.db2.gz LCJJXAOQEGOAQA-JKSUJKDBSA-N 1 1 403.910 3.292 50 0 HGAAMO Cc1ncc2c(c1-c1noc(-c3ccc[nH]3)n1)CC[N@H+]([C@@H](C)CCn1cccn1)C2 ZINC000019731126 558259546 /nfs/dbraw/zinc/25/95/46/558259546.db2.gz GJOMGONYZVXJOD-HNNXBMFYSA-N 1 1 403.490 3.469 50 0 HGAAMO COC[C@@H]1CC[N@@H+](Cc2c(C(=O)N(C)CCc3ccccc3)nc3sccn23)C1 ZINC000011819912 558283319 /nfs/dbraw/zinc/28/33/19/558283319.db2.gz HQDWGQYFKLVOGE-GOSISDBHSA-N 1 1 412.559 3.179 50 0 HGAAMO COC[C@@H]1CCC[N@@H+](Cc2c(C(=O)N(C)Cc3ccccc3)nc3ccccn32)C1 ZINC000011820156 558283426 /nfs/dbraw/zinc/28/34/26/558283426.db2.gz CXOFCHQFQCOMOS-HXUWFJFHSA-N 1 1 406.530 3.465 50 0 HGAAMO CSCC[C@H](C)[NH+]1CCC(N2CCC(C(=O)NCc3cccnc3)CC2)CC1 ZINC000011821386 558284787 /nfs/dbraw/zinc/28/47/87/558284787.db2.gz ROSWPCKLYULXQN-SFHVURJKSA-N 1 1 404.624 3.016 50 0 HGAAMO CSCC[C@H](C)N1CCC([NH+]2CCC(C(=O)NCc3cccnc3)CC2)CC1 ZINC000011821386 558284791 /nfs/dbraw/zinc/28/47/91/558284791.db2.gz ROSWPCKLYULXQN-SFHVURJKSA-N 1 1 404.624 3.016 50 0 HGAAMO COc1ccc2ccccc2c1C[N@@H+]1CCc2nnc([C@@H](C)NC(=O)C(C)C)n2CC1 ZINC000011839393 558285899 /nfs/dbraw/zinc/28/58/99/558285899.db2.gz COSSGTFHKRHDJQ-QGZVFWFLSA-N 1 1 421.545 3.331 50 0 HGAAMO Cc1c(Cl)cccc1Nc1nc(N)nc(CN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000019899211 558304585 /nfs/dbraw/zinc/30/45/85/558304585.db2.gz MCDVZCZUUWAKEP-UHFFFAOYSA-N 1 1 423.952 3.477 50 0 HGAAMO COC(=O)c1ccc(-c2noc(C[NH+]3CCC([C@H](O)Cc4ccccc4)CC3)n2)cc1 ZINC000012025772 558310210 /nfs/dbraw/zinc/31/02/10/558310210.db2.gz PWIPSHYQWDBHPE-OAQYLSRUSA-N 1 1 421.497 3.339 50 0 HGAAMO COc1ccc(CC[N@@H+]2CCC[C@H](CN(C)Cc3ccc(OCCO)cc3)C2)cc1 ZINC000012051609 558314429 /nfs/dbraw/zinc/31/44/29/558314429.db2.gz SJBADFDBHMDNDE-HSZRJFAPSA-N 1 1 412.574 3.453 50 0 HGAAMO COc1ccc(CC[N@H+]2CCC[C@H](CN(C)Cc3ccc(OCCO)cc3)C2)cc1 ZINC000012051609 558314432 /nfs/dbraw/zinc/31/44/32/558314432.db2.gz SJBADFDBHMDNDE-HSZRJFAPSA-N 1 1 412.574 3.453 50 0 HGAAMO C[C@@H](NC(=O)CCc1ccccc1)c1nnc2n1CC[N@H+](Cc1cccs1)CC2 ZINC000012127421 558331410 /nfs/dbraw/zinc/33/14/10/558331410.db2.gz VSNVBXIBXZVYLW-QGZVFWFLSA-N 1 1 409.559 3.208 50 0 HGAAMO COc1ccccc1N1CCN([C@H]2CCC[N@H+](Cc3ccc4nsnc4c3)C2)CC1 ZINC000020119087 558336674 /nfs/dbraw/zinc/33/66/74/558336674.db2.gz QNWVDPVAHZYNDK-IBGZPJMESA-N 1 1 423.586 3.487 50 0 HGAAMO COc1ccccc1N1CCN([C@H]2CCC[N@@H+](Cc3ccc4nsnc4c3)C2)CC1 ZINC000020119087 558336677 /nfs/dbraw/zinc/33/66/77/558336677.db2.gz QNWVDPVAHZYNDK-IBGZPJMESA-N 1 1 423.586 3.487 50 0 HGAAMO Cc1c(C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)cnn1-c1nccc(-c2cccs2)n1 ZINC000012154221 558339579 /nfs/dbraw/zinc/33/95/79/558339579.db2.gz BWOHOCWONCYZOV-MRXNPFEDSA-N 1 1 410.547 3.113 50 0 HGAAMO CCOc1cccc(C[N@@H+]2CCOc3ccc(CN4CCN(C(C)=O)CC4)cc3C2)c1 ZINC000012166665 558342488 /nfs/dbraw/zinc/34/24/88/558342488.db2.gz DDKDDBSTNHADEW-UHFFFAOYSA-N 1 1 423.557 3.144 50 0 HGAAMO CCOc1cccc(C[N@H+]2CCOc3ccc(CN4CCN(C(C)=O)CC4)cc3C2)c1 ZINC000012166665 558342491 /nfs/dbraw/zinc/34/24/91/558342491.db2.gz DDKDDBSTNHADEW-UHFFFAOYSA-N 1 1 423.557 3.144 50 0 HGAAMO NNc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC[N@@H+](Cc1ccccc1)C3 ZINC000020169262 558343433 /nfs/dbraw/zinc/34/34/33/558343433.db2.gz ZBNCVZKVVDXBDL-UHFFFAOYSA-N 1 1 417.538 3.350 50 0 HGAAMO NNc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC[N@H+](Cc1ccccc1)C3 ZINC000020169262 558343435 /nfs/dbraw/zinc/34/34/35/558343435.db2.gz ZBNCVZKVVDXBDL-UHFFFAOYSA-N 1 1 417.538 3.350 50 0 HGAAMO CCOc1ccc(C[N@@H+]2CCN(Cc3ccc(F)c(OC)c3)C[C@@H]2CCO)cc1 ZINC000020235338 558350766 /nfs/dbraw/zinc/35/07/66/558350766.db2.gz BBJQXBBBWUBOAE-FQEVSTJZSA-N 1 1 402.510 3.302 50 0 HGAAMO CCOc1ccc(C[N@H+]2CCN(Cc3ccc(F)c(OC)c3)C[C@@H]2CCO)cc1 ZINC000020235338 558350768 /nfs/dbraw/zinc/35/07/68/558350768.db2.gz BBJQXBBBWUBOAE-FQEVSTJZSA-N 1 1 402.510 3.302 50 0 HGAAMO COc1ccccc1/C=C/C[N@@H+]1CCc2nnc([C@@H](CC(C)C)NC(C)=O)n2CC1 ZINC000012211669 558354110 /nfs/dbraw/zinc/35/41/10/558354110.db2.gz DXHGZGUEQIUGBM-FHVRUZERSA-N 1 1 411.550 3.082 50 0 HGAAMO CC(C)[C@H](NC(=O)c1ccccn1)c1nnc2n1CC[N@H+](CC1CCCCC1)CC2 ZINC000012244531 558361091 /nfs/dbraw/zinc/36/10/91/558361091.db2.gz SSOUBQPSZTZQRC-NRFANRHFSA-N 1 1 410.566 3.239 50 0 HGAAMO C[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cc(COc2ccc(F)cc2F)on1 ZINC000020451726 558366112 /nfs/dbraw/zinc/36/61/12/558366112.db2.gz QFRUHMBUTKHFLT-KRWDZBQOSA-N 1 1 413.424 3.318 50 0 HGAAMO C[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cc(COc2ccc(F)cc2F)on1 ZINC000020451726 558366114 /nfs/dbraw/zinc/36/61/14/558366114.db2.gz QFRUHMBUTKHFLT-KRWDZBQOSA-N 1 1 413.424 3.318 50 0 HGAAMO COc1cc(C[NH2+]Cc2cccc(C)c2)ccc1OC[C@H](O)CN1CCSCC1 ZINC000012299047 558369142 /nfs/dbraw/zinc/36/91/42/558369142.db2.gz PRQDEHBYXGWYML-OAQYLSRUSA-N 1 1 416.587 3.082 50 0 HGAAMO CC(=O)CCc1ccc(OCCOCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000020482377 558375497 /nfs/dbraw/zinc/37/54/97/558375497.db2.gz OJLGEMGYNWZIJH-UHFFFAOYSA-N 1 1 410.558 3.421 50 0 HGAAMO CN(C)C(=O)c1nc2ccc(Cl)cn2c1CN1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000020500295 558380714 /nfs/dbraw/zinc/38/07/14/558380714.db2.gz HWVSVODGAIKMML-GOSISDBHSA-N 1 1 411.937 3.178 50 0 HGAAMO Cc1nc2oc3c(ncnc3NCCC[NH+]3CCOCC3)c2c2c1COC(C)(C)C2 ZINC000020519057 558383461 /nfs/dbraw/zinc/38/34/61/558383461.db2.gz OWERBGZHKRWPJE-UHFFFAOYSA-N 1 1 411.506 3.065 50 0 HGAAMO COc1cc2oc(=O)cc(-c3ccccc3)c2cc1CCC(=O)N1CC[NH+](C)CC1 ZINC000020677556 558400312 /nfs/dbraw/zinc/40/03/12/558400312.db2.gz ODVRYYLUJJMSCZ-UHFFFAOYSA-N 1 1 406.482 3.175 50 0 HGAAMO CCOC(=O)C[C@H]1CCCC[N@H+]1Cc1c[nH]nc1-c1cc(OC)c(OC)c(OC)c1 ZINC000012431264 558405638 /nfs/dbraw/zinc/40/56/38/558405638.db2.gz FPORDZIAUBVJRW-QGZVFWFLSA-N 1 1 417.506 3.410 50 0 HGAAMO CCCCc1nc(C[N@@H+]2CCC[C@H](CNC(=O)COc3ccccc3OC)C2)c[nH]1 ZINC000012447556 558414823 /nfs/dbraw/zinc/41/48/23/558414823.db2.gz ZLQQBEVLPWPDDU-GOSISDBHSA-N 1 1 414.550 3.168 50 0 HGAAMO CCCCc1nc(C[N@H+]2CCC[C@H](CNC(=O)COc3ccccc3OC)C2)c[nH]1 ZINC000012447556 558414827 /nfs/dbraw/zinc/41/48/27/558414827.db2.gz ZLQQBEVLPWPDDU-GOSISDBHSA-N 1 1 414.550 3.168 50 0 HGAAMO COc1cccc(C[N@H+]2CCC[C@]3(CCN(C(=O)c4cscn4)C3)C2)c1OC ZINC000012459183 558418867 /nfs/dbraw/zinc/41/88/67/558418867.db2.gz WERVGHFRZOCHGG-NRFANRHFSA-N 1 1 401.532 3.289 50 0 HGAAMO Cc1ccc(C[N@@H+]2CCc3nnc(CCNC(=O)C4CCCCC4)n3CC2)c(C)c1 ZINC000020908850 558421742 /nfs/dbraw/zinc/42/17/42/558421742.db2.gz JKMQVKZVROUCRK-UHFFFAOYSA-N 1 1 409.578 3.192 50 0 HGAAMO CN(C(=O)CCc1ccc2c(c1)OCO2)[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012479265 558423185 /nfs/dbraw/zinc/42/31/85/558423185.db2.gz JUBFOHGVYKUDPH-OAQYLSRUSA-N 1 1 406.526 3.438 50 0 HGAAMO Cc1nc(N2CCCC2)cc(N2CCN(C(=O)Nc3ccccc3Cl)CC2)[nH+]1 ZINC000021795112 558449153 /nfs/dbraw/zinc/44/91/53/558449153.db2.gz WNKQTQNQFISFID-UHFFFAOYSA-N 1 1 400.914 3.393 50 0 HGAAMO CCOc1ccc(NC(=O)N2CCN(c3cc(N4CCCC4)nc(C)[nH+]3)CC2)cc1 ZINC000021795120 558449280 /nfs/dbraw/zinc/44/92/80/558449280.db2.gz FWDXBYJRMKLDIS-UHFFFAOYSA-N 1 1 410.522 3.138 50 0 HGAAMO Cc1nc(N(C)C)cc(N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)[nH+]1 ZINC000021795012 558449388 /nfs/dbraw/zinc/44/93/88/558449388.db2.gz FGMBCNXWFAKDGG-UHFFFAOYSA-N 1 1 408.428 3.224 50 0 HGAAMO O=C(C[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1)NCCc1cccs1 ZINC000012974857 558490775 /nfs/dbraw/zinc/49/07/75/558490775.db2.gz KCFNQLOFTZDCSX-UHFFFAOYSA-N 1 1 412.481 3.033 50 0 HGAAMO O=C(C[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1)NCCc1cccs1 ZINC000012974857 558490778 /nfs/dbraw/zinc/49/07/78/558490778.db2.gz KCFNQLOFTZDCSX-UHFFFAOYSA-N 1 1 412.481 3.033 50 0 HGAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000013009295 558502788 /nfs/dbraw/zinc/50/27/88/558502788.db2.gz WHNUOFULFYUECP-GFCCVEGCSA-N 1 1 401.276 3.192 50 0 HGAAMO Cc1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(C)cc(C)c3o2)N2CC[NH+](C)CC2)o1 ZINC000022938450 558527344 /nfs/dbraw/zinc/52/73/44/558527344.db2.gz WFENAPWDOVMPKA-LJQANCHMSA-N 1 1 423.513 3.030 50 0 HGAAMO Cc1cccc(C[N@@H+]2CCc3nnc([C@@H](C)NC(=O)c4ccccc4C)n3CC2)c1 ZINC000023128881 558536506 /nfs/dbraw/zinc/53/65/06/558536506.db2.gz PESHXVDSJBYMAC-LJQANCHMSA-N 1 1 403.530 3.444 50 0 HGAAMO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(Cc2cccc(Br)c2)CC1 ZINC000004435086 558558382 /nfs/dbraw/zinc/55/83/82/558558382.db2.gz LDQNQUKUIUTYEN-UHFFFAOYSA-N 1 1 410.400 3.365 50 0 HGAAMO COc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc(OC)c1Br ZINC000024928298 558621436 /nfs/dbraw/zinc/62/14/36/558621436.db2.gz NFJAAZFDNPTGLO-INIZCTEOSA-N 1 1 419.319 3.471 50 0 HGAAMO COc1ccc(Nc2ccc(NC(=S)NCCC[NH+]3CCOCC3)cc2)cc1 ZINC000025461136 558641763 /nfs/dbraw/zinc/64/17/63/558641763.db2.gz YXRHDUCHWBBKPO-UHFFFAOYSA-N 1 1 400.548 3.448 50 0 HGAAMO CCOc1ccc(C(=O)N[C@@H](C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)C(C)C)cc1 ZINC000025541116 558643386 /nfs/dbraw/zinc/64/33/86/558643386.db2.gz FEZUYQWDYWVXPC-DHIUTWEWSA-N 1 1 423.557 3.355 50 0 HGAAMO CCOc1ccc(C(=O)N[C@@H](C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)C(C)C)cc1 ZINC000025541116 558643387 /nfs/dbraw/zinc/64/33/87/558643387.db2.gz FEZUYQWDYWVXPC-DHIUTWEWSA-N 1 1 423.557 3.355 50 0 HGAAMO CN(C)C(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C[N@@H+](CCc2ccccc2)C1 ZINC000014741154 558666911 /nfs/dbraw/zinc/66/69/11/558666911.db2.gz MBHXOEMEQBFPLD-PKTZIBPZSA-N 1 1 419.569 3.383 50 0 HGAAMO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+](C)CCN1C(=O)NC(C)(C)C1=O ZINC000026913118 558667000 /nfs/dbraw/zinc/66/70/00/558667000.db2.gz XCHDRRUOCLWQAF-INIZCTEOSA-N 1 1 408.502 3.262 50 0 HGAAMO COc1cccc(C[N@@H+]2CCc3c(c(C(=O)N(C)C)nn3Cc3ccccc3)C2)c1 ZINC000014743056 558667677 /nfs/dbraw/zinc/66/76/77/558667677.db2.gz ZLZGWEYYXUMADZ-UHFFFAOYSA-N 1 1 404.514 3.200 50 0 HGAAMO COc1cccc(C[N@H+]2CCc3c(c(C(=O)N(C)C)nn3Cc3ccccc3)C2)c1 ZINC000014743056 558667680 /nfs/dbraw/zinc/66/76/80/558667680.db2.gz ZLZGWEYYXUMADZ-UHFFFAOYSA-N 1 1 404.514 3.200 50 0 HGAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCc3cc(-c4csc(C)n4)ccc32)C1 ZINC000027343677 558672270 /nfs/dbraw/zinc/67/22/70/558672270.db2.gz IURRJXNFGBYMIQ-GOSISDBHSA-N 1 1 413.543 3.283 50 0 HGAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCc3cc(-c4csc(C)n4)ccc32)C1 ZINC000027343677 558672272 /nfs/dbraw/zinc/67/22/72/558672272.db2.gz IURRJXNFGBYMIQ-GOSISDBHSA-N 1 1 413.543 3.283 50 0 HGAAMO CC(C)[NH+]1CCN(C(=O)c2cnn(-c3nccc(-c4cccs4)n3)c2C2CC2)CC1 ZINC000014882934 558676635 /nfs/dbraw/zinc/67/66/35/558676635.db2.gz ANMUQJDOOOYNOF-UHFFFAOYSA-N 1 1 422.558 3.434 50 0 HGAAMO Cc1cc(C)n(CC(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2cccc(F)c2F)C3)n1 ZINC000014955928 558682418 /nfs/dbraw/zinc/68/24/18/558682418.db2.gz NGKRMGFTOMBPNI-JOCHJYFZSA-N 1 1 402.489 3.293 50 0 HGAAMO Cc1cc(C)n(CC(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2cccc(F)c2F)C3)n1 ZINC000014955928 558682420 /nfs/dbraw/zinc/68/24/20/558682420.db2.gz NGKRMGFTOMBPNI-JOCHJYFZSA-N 1 1 402.489 3.293 50 0 HGAAMO Cc1ncc(C[N@@H+]2CCC[C@@H](CNS(=O)(=O)c3cccc4cccnc43)C2)s1 ZINC000014981322 558691635 /nfs/dbraw/zinc/69/16/35/558691635.db2.gz NWGDYNIHTHCKMM-INIZCTEOSA-N 1 1 416.572 3.190 50 0 HGAAMO Cc1ncc(C[N@H+]2CCC[C@@H](CNS(=O)(=O)c3cccc4cccnc43)C2)s1 ZINC000014981322 558691639 /nfs/dbraw/zinc/69/16/39/558691639.db2.gz NWGDYNIHTHCKMM-INIZCTEOSA-N 1 1 416.572 3.190 50 0 HGAAMO Cc1cc(C)n(-c2cccc(C[N@H+]3CCC[C@@H](CCC(=O)N4CCOCC4)C3)c2)n1 ZINC000015068845 558711286 /nfs/dbraw/zinc/71/12/86/558711286.db2.gz FBPKYUSUQRINTN-NRFANRHFSA-N 1 1 410.562 3.340 50 0 HGAAMO Cc1oc(-c2cccs2)nc1CN1CC[C@@H]([N@@H+](C)CCc2ccccn2)[C@H](O)C1 ZINC000015077340 558717094 /nfs/dbraw/zinc/71/70/94/558717094.db2.gz QBENGADWXQUVPT-WOJBJXKFSA-N 1 1 412.559 3.216 50 0 HGAAMO CC(C)c1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCCN(c4cnccn4)C3)CC2)cc1 ZINC000029756734 558720157 /nfs/dbraw/zinc/72/01/57/558720157.db2.gz TWCVUASOKCYSPT-JOCHJYFZSA-N 1 1 407.562 3.161 50 0 HGAAMO CC(C)OCC[NH+]1CCN(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000072288521 558720336 /nfs/dbraw/zinc/72/03/36/558720336.db2.gz GGQMFIXMPRVOSV-UHFFFAOYSA-N 1 1 407.864 3.340 50 0 HGAAMO CC(C)[C@@H](CNC(=O)CCc1nc(-c2ccccn2)no1)[N@H+]1CCc2ccccc2C1 ZINC000030637589 558734909 /nfs/dbraw/zinc/73/49/09/558734909.db2.gz BJHVXGXFFRVLKM-OAQYLSRUSA-N 1 1 419.529 3.263 50 0 HGAAMO CCS[C@H]1CC[C@H]([N@@H+](C)CC(=O)NCc2ccccc2CN2CCCC2=O)C1 ZINC000072304992 558756768 /nfs/dbraw/zinc/75/67/68/558756768.db2.gz HHPIENICULYOPB-PMACEKPBSA-N 1 1 403.592 3.031 50 0 HGAAMO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1cc(-c2ccc3c(c2)OCCO3)on1 ZINC000015859675 558757405 /nfs/dbraw/zinc/75/74/05/558757405.db2.gz TZPRWENEJMQZKP-QGZVFWFLSA-N 1 1 409.442 3.273 50 0 HGAAMO COc1ccc(NC(=O)N2CCN(c3cc(N4CCCCC4)nc(C)[nH+]3)CC2)c(C)c1 ZINC000033326843 558766796 /nfs/dbraw/zinc/76/67/96/558766796.db2.gz OTZYXLIUQKOEIA-UHFFFAOYSA-N 1 1 424.549 3.446 50 0 HGAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)N(Cc1ccco1)CC(F)(F)F ZINC000016699023 558801301 /nfs/dbraw/zinc/80/13/01/558801301.db2.gz PRSARNVVZSPZAC-OAHLLOKOSA-N 1 1 421.423 3.444 50 0 HGAAMO Cc1[nH]c(C(=O)N2CCC(CC(=O)NCCC[N@@H+]3CCC[C@@H](C)C3)CC2)c(C)c1C ZINC000033024423 558841801 /nfs/dbraw/zinc/84/18/01/558841801.db2.gz DDSBLNGISZOLEP-QGZVFWFLSA-N 1 1 416.610 3.420 50 0 HGAAMO Cc1csc(SCC(=O)N2CCC[C@@H]([NH+]3CCN(c4ccccc4)CC3)C2)n1 ZINC000055061191 558871475 /nfs/dbraw/zinc/87/14/75/558871475.db2.gz MXSRJWUAAAAJOE-LJQANCHMSA-N 1 1 416.616 3.357 50 0 HGAAMO CC(C)c1cc(C(=O)N2CCC[C@@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2)n(C)n1 ZINC000055098982 558871982 /nfs/dbraw/zinc/87/19/82/558871982.db2.gz XRUCTEANALRKNZ-HXUWFJFHSA-N 1 1 413.541 3.109 50 0 HGAAMO COc1ccc(C(=O)N2CCC[C@@H]([NH+]3CCN(c4ccccc4OC)CC3)C2)cc1C ZINC000055182636 558875024 /nfs/dbraw/zinc/87/50/24/558875024.db2.gz LHUMSGCFKZVANR-OAQYLSRUSA-N 1 1 423.557 3.439 50 0 HGAAMO Cc1nc2cccnc2n1CC[NH+]1CCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000033139706 558891361 /nfs/dbraw/zinc/89/13/61/558891361.db2.gz FMHRPIYGYWGGKG-UHFFFAOYSA-N 1 1 416.888 3.382 50 0 HGAAMO COc1cccc(NC(=O)N2CC[NH+](CCn3c4ncccc4nc3C(C)C)CC2)c1 ZINC000033139838 558891616 /nfs/dbraw/zinc/89/16/16/558891616.db2.gz UHONPUGZEHOOJL-UHFFFAOYSA-N 1 1 422.533 3.413 50 0 HGAAMO O=S(=O)(N[C@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1ccc2c(c1)OCO2)c1ccccc1 ZINC000058166940 558907108 /nfs/dbraw/zinc/90/71/08/558907108.db2.gz AMPRDAWANTZJSG-REWPJTCUSA-N 1 1 422.506 3.149 50 0 HGAAMO O=S(=O)(N[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ccc2c(c1)OCO2)c1ccccc1 ZINC000058166942 558907117 /nfs/dbraw/zinc/90/71/17/558907117.db2.gz AMPRDAWANTZJSG-NFBKMPQASA-N 1 1 422.506 3.149 50 0 HGAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)CCn2nc(-c3ccc(Cl)cc3)ccc2=O)C1 ZINC000004710532 558916505 /nfs/dbraw/zinc/91/65/05/558916505.db2.gz SKSYPQLEPMCLNG-KRWDZBQOSA-N 1 1 416.953 3.192 50 0 HGAAMO O=C(CC[NH+]1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)NC1CCCC1 ZINC000058406884 558924745 /nfs/dbraw/zinc/92/47/45/558924745.db2.gz QAHRSNSRZYFMTP-UHFFFAOYSA-N 1 1 404.864 3.325 50 0 HGAAMO COCc1ncc(C[N@H+]2CC[C@@]3(C2)CCCN(C(=O)CC2CCCCC2)C3)cn1 ZINC000067458920 558986771 /nfs/dbraw/zinc/98/67/71/558986771.db2.gz FLLYPJPDVMBFIH-HSZRJFAPSA-N 1 1 400.567 3.408 50 0 HGAAMO CC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000022357568 558988146 /nfs/dbraw/zinc/98/81/46/558988146.db2.gz CQNYZBWAHKYVCB-UHFFFAOYSA-N 1 1 402.560 3.295 50 0 HGAAMO Cc1[nH]c(=O)[nH]c(=O)c1C[N@H+]1CCC[C@H](C(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000067757696 558992481 /nfs/dbraw/zinc/99/24/81/558992481.db2.gz FKXSSXUYNAYXFU-FQEVSTJZSA-N 1 1 403.482 3.134 50 0 HGAAMO COc1ccc(-c2ccccc2)cc1N1C(=O)[C@@H]2C[C@H]1CN2CCn1cc[nH+]c1C ZINC000077419380 559004442 /nfs/dbraw/zinc/00/44/42/559004442.db2.gz GHAKLNIPXUKKQD-UNMCSNQZSA-N 1 1 402.498 3.357 50 0 HGAAMO O=C([C@@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1)N1Cc2ccccc2C1 ZINC000082097162 559037450 /nfs/dbraw/zinc/03/74/50/559037450.db2.gz AVSNENJAHNVGCA-HSZRJFAPSA-N 1 1 404.558 3.300 50 0 HGAAMO O=C(NCCc1ccccc1)[C@H]1CCC[N@H+](C2CCN(C(=O)C3CCCC3)CC2)C1 ZINC000082108397 559038641 /nfs/dbraw/zinc/03/86/41/559038641.db2.gz LHURMXNNWOQZAZ-QFIPXVFZSA-N 1 1 411.590 3.239 50 0 HGAAMO Cc1ccccc1CNC(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000082115403 559039093 /nfs/dbraw/zinc/03/90/93/559039093.db2.gz MPJVBBNKMPIIBX-HSZRJFAPSA-N 1 1 406.574 3.383 50 0 HGAAMO Cc1nc2cc(OCc3nc(C(=O)NCC[C@@H]4CCC[N@@H+]4C)co3)ccc2s1 ZINC000091943949 559074732 /nfs/dbraw/zinc/07/47/32/559074732.db2.gz OGGOWWSYKRMEFV-AWEZNQCLSA-N 1 1 400.504 3.386 50 0 HGAAMO Cc1cccc(CNC(=O)[C@@H]2CCC[N@H+](C3CCN(Cc4ccncc4)CC3)C2)c1 ZINC000092065582 559075415 /nfs/dbraw/zinc/07/54/15/559075415.db2.gz KLDSEUKDVOFQIH-HSZRJFAPSA-N 1 1 406.574 3.383 50 0 HGAAMO COC(=O)c1cc(C)sc1NC(=S)N1CC[NH+](CCc2ccccc2)CC1 ZINC000095100154 559079409 /nfs/dbraw/zinc/07/94/09/559079409.db2.gz KBDGOXDDVTYIJH-UHFFFAOYSA-N 1 1 403.573 3.400 50 0 HGAAMO Cc1cc(CN(C)Cc2cccc(OC[C@@H](O)C[N@@H+](C)C3CCCCC3)c2)[nH]n1 ZINC000095521428 559085352 /nfs/dbraw/zinc/08/53/52/559085352.db2.gz SBICQBCBQYDRTD-QFIPXVFZSA-N 1 1 400.567 3.354 50 0 HGAAMO Cc1cc(CN(C)Cc2cccc(OC[C@@H](O)C[N@H+](C)C3CCCCC3)c2)n[nH]1 ZINC000095521428 559085353 /nfs/dbraw/zinc/08/53/53/559085353.db2.gz SBICQBCBQYDRTD-QFIPXVFZSA-N 1 1 400.567 3.354 50 0 HGAAMO Cc1cc(CN(C)Cc2cccc(OC[C@@H](O)C[N@@H+](C)C3CCCCC3)c2)n[nH]1 ZINC000095521428 559085354 /nfs/dbraw/zinc/08/53/54/559085354.db2.gz SBICQBCBQYDRTD-QFIPXVFZSA-N 1 1 400.567 3.354 50 0 HGAAMO Cc1cccc(C)c1NC(=O)CN1CCN(CC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC000072309048 559162139 /nfs/dbraw/zinc/16/21/39/559162139.db2.gz CISBOUKXDSSBCI-UHFFFAOYSA-N 1 1 412.553 3.131 50 0 HGAAMO COCCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)c1cc(-c2ccncc2)n[nH]1 ZINC000409415103 559250961 /nfs/dbraw/zinc/25/09/61/559250961.db2.gz TYWNKCPILYIKAG-SIKLNZKXSA-N 1 1 411.550 3.215 50 0 biogenic HGAAMO COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1cc(-c2ccncc2)[nH]n1 ZINC000409415103 559250962 /nfs/dbraw/zinc/25/09/62/559250962.db2.gz TYWNKCPILYIKAG-SIKLNZKXSA-N 1 1 411.550 3.215 50 0 biogenic HGAAMO COCCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)c1cc(-c2ccncc2)[nH]n1 ZINC000409415103 559250963 /nfs/dbraw/zinc/25/09/63/559250963.db2.gz TYWNKCPILYIKAG-SIKLNZKXSA-N 1 1 411.550 3.215 50 0 biogenic HGAAMO COc1ccc(Br)cc1C[N@H+](C)Cn1c2ccccc2nc1NCCO ZINC000005267080 560553870 /nfs/dbraw/zinc/55/38/70/560553870.db2.gz PWBCMMGZNQUUCL-UHFFFAOYSA-N 1 1 419.323 3.301 50 0 HGAAMO COc1ccc(Br)cc1C[N@@H+](C)Cn1c2ccccc2nc1NCCO ZINC000005267080 560553872 /nfs/dbraw/zinc/55/38/72/560553872.db2.gz PWBCMMGZNQUUCL-UHFFFAOYSA-N 1 1 419.323 3.301 50 0 HGAAMO Cc1ccccc1Nc1nnc(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000062007187 560566326 /nfs/dbraw/zinc/56/63/26/560566326.db2.gz GHYSILAQYMJHGW-UHFFFAOYSA-N 1 1 407.543 3.477 50 0 HGAAMO C[N@@H+](Cc1ccccc1)Cc1c([O-])c(C[NH+]2CCN(c3ccccc3)CC2)coc1=O ZINC000101374413 560793461 /nfs/dbraw/zinc/79/34/61/560793461.db2.gz SOJWFFAUPXGXRB-UHFFFAOYSA-N 1 1 419.525 3.300 50 0 HGAAMO COc1ccc(C[N@H+](Cc2cc(=O)n3nc(C)sc3n2)CC(C)C)cc1OC ZINC000046032382 568424659 /nfs/dbraw/zinc/42/46/59/568424659.db2.gz AGUGCQJFPRVJMX-UHFFFAOYSA-N 1 1 402.520 3.135 50 0 HGAAMO O=C(Nc1ccc(N2C(=O)CCCC2=O)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000048355023 568441407 /nfs/dbraw/zinc/44/14/07/568441407.db2.gz HUWYRUUDAQUKEN-UHFFFAOYSA-N 1 1 406.486 3.080 50 0 HGAAMO COc1cc(C)c(S(=O)(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)cc1OC ZINC000048374008 568442361 /nfs/dbraw/zinc/44/23/61/568442361.db2.gz KBWBRZGMNPAHIR-UHFFFAOYSA-N 1 1 410.580 3.289 50 0 HGAAMO CCN1CC[NH+](CCCNC(=O)c2cc3cc4ccc(OC)cc4nc3s2)CC1 ZINC000020178768 568592988 /nfs/dbraw/zinc/59/29/88/568592988.db2.gz KXNYELUXJHDJJB-UHFFFAOYSA-N 1 1 412.559 3.216 50 0 HGAAMO CCN1CC[NH+](CCCNC(=O)c2cc3cc4ccc(Cl)cc4nc3o2)CC1 ZINC000020210134 568594225 /nfs/dbraw/zinc/59/42/25/568594225.db2.gz WMGFUJKSIJJRGA-UHFFFAOYSA-N 1 1 400.910 3.392 50 0 HGAAMO CCN1CC[NH+](CCCNc2ncnc3onc(-c4ccc(Cl)cc4)c32)CC1 ZINC000020329930 568599176 /nfs/dbraw/zinc/59/91/76/568599176.db2.gz QSKILKXSFYMONP-UHFFFAOYSA-N 1 1 400.914 3.378 50 0 HGAAMO COc1ccccc1-c1nn(Cc2ccccc2)cc1C[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000095430325 568608950 /nfs/dbraw/zinc/60/89/50/568608950.db2.gz GJEDYGZJJYVTSN-LJQANCHMSA-N 1 1 404.514 3.304 50 0 HGAAMO Cc1ccc(S(=O)(=O)N[C@H](C[N@@H+]2C[C@H](CO)CC[C@@H]2C)c2ccccc2)cc1 ZINC000095452735 568615368 /nfs/dbraw/zinc/61/53/68/568615368.db2.gz DTNOJFNBTQNVPA-NNMXDRDESA-N 1 1 402.560 3.107 50 0 HGAAMO Brc1cc2c(cc1C[N@H+]1CCC[C@H](Cn3cncn3)C1)OCCCO2 ZINC000095464605 568622599 /nfs/dbraw/zinc/62/25/99/568622599.db2.gz QLAZYAKDRMXELD-AWEZNQCLSA-N 1 1 407.312 3.114 50 0 HGAAMO CC(=O)Nc1ccc(F)c(C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)c1 ZINC000225438835 568638067 /nfs/dbraw/zinc/63/80/67/568638067.db2.gz AXQBNPAEYFMVJY-GOSISDBHSA-N 1 1 401.507 3.132 50 0 HGAAMO CC(=O)Nc1ccc(F)c(C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)c1 ZINC000225438835 568638069 /nfs/dbraw/zinc/63/80/69/568638069.db2.gz AXQBNPAEYFMVJY-GOSISDBHSA-N 1 1 401.507 3.132 50 0 HGAAMO O=C(NCCC[NH+]1CCOCC1)c1cccnc1SCc1ccccc1Cl ZINC000020756098 568641372 /nfs/dbraw/zinc/64/13/72/568641372.db2.gz XEGUEDNDCOTZOA-UHFFFAOYSA-N 1 1 405.951 3.479 50 0 HGAAMO Cc1csc(=O)n1CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000225759540 568671773 /nfs/dbraw/zinc/67/17/73/568671773.db2.gz IQEQXPJFZYNMCB-LEWJYISDSA-N 1 1 407.539 3.003 50 0 HGAAMO Cc1cc(C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)ccc1NC(=O)CC(C)C ZINC000096006415 568682580 /nfs/dbraw/zinc/68/25/80/568682580.db2.gz ZRRZSLAUIGSMLI-QFIPXVFZSA-N 1 1 423.557 3.476 50 0 HGAAMO Cn1c(C[N@@H+]2CCc3ccccc3C2)cc(=O)c(O)c1CN1CCc2ccccc2C1 ZINC000096115718 568695334 /nfs/dbraw/zinc/69/53/34/568695334.db2.gz HKTPOPYVWWYZGN-UHFFFAOYSA-N 1 1 415.537 3.208 50 0 biogenic HGAAMO Cn1c(C[N@H+]2CCc3ccccc3C2)cc(=O)c(O)c1CN1CCc2ccccc2C1 ZINC000096115718 568695337 /nfs/dbraw/zinc/69/53/37/568695337.db2.gz HKTPOPYVWWYZGN-UHFFFAOYSA-N 1 1 415.537 3.208 50 0 biogenic HGAAMO Cc1nc2cc(NC(=O)c3cc(-c4cccnc4)n[nH]3)ccc2n1CCC[NH+](C)C ZINC000096116790 568696157 /nfs/dbraw/zinc/69/61/57/568696157.db2.gz SGMYMCGPTRPPRV-UHFFFAOYSA-N 1 1 403.490 3.334 50 0 HGAAMO Cc1cc(OCC(=O)NC[C@H]2CCC[N@H+]3CCCC[C@H]23)c2c3c(c(=O)oc2c1)CCC3 ZINC000096343730 568737150 /nfs/dbraw/zinc/73/71/50/568737150.db2.gz GZKZUSFMHOOODR-YLJYHZDGSA-N 1 1 424.541 3.350 50 0 HGAAMO Cc1ccc([C@@H](CNC(=O)COc2cc(C)c(Cl)c(C)c2)N2CC[NH+](C)CC2)o1 ZINC000028405140 568784832 /nfs/dbraw/zinc/78/48/32/568784832.db2.gz FOEPINCQCSOGFI-LJQANCHMSA-N 1 1 419.953 3.342 50 0 HGAAMO O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000056039129 568785137 /nfs/dbraw/zinc/78/51/37/568785137.db2.gz ZCKNMBZBSPSXPE-QHCPKHFHSA-N 1 1 410.514 3.371 50 0 HGAAMO CCOc1ccc([C@H]2NC(=O)N=C(C[N@H+](CC)Cc3ccccc3)C2C(=O)OC)cc1 ZINC000057415325 568833652 /nfs/dbraw/zinc/83/36/52/568833652.db2.gz FXXYCVHHYBWJRP-JOCHJYFZSA-N 1 1 423.513 3.388 50 0 HGAAMO CCOc1ccc([C@H]2NC(=O)N=C(C[N@@H+](CC)Cc3ccccc3)C2C(=O)OC)cc1 ZINC000057415325 568833653 /nfs/dbraw/zinc/83/36/53/568833653.db2.gz FXXYCVHHYBWJRP-JOCHJYFZSA-N 1 1 423.513 3.388 50 0 HGAAMO CN1CCC([NH2+]CCc2c[nH]c3ccccc23)(c2nnnn2C2CCCCC2)CC1 ZINC000006002064 568834908 /nfs/dbraw/zinc/83/49/08/568834908.db2.gz ZTTGVWRUPOYELX-UHFFFAOYSA-N 1 1 407.566 3.413 50 0 HGAAMO Cc1cc(C(=O)NCC[NH+]2CCN(c3cccc(C)c3C)CC2)n(-c2ccccc2)n1 ZINC000058056171 568881447 /nfs/dbraw/zinc/88/14/47/568881447.db2.gz UWJGVQNQTGLDLJ-UHFFFAOYSA-N 1 1 417.557 3.350 50 0 HGAAMO CN1CCC([N@H+](C)C[C@@H](NC(=O)NCCc2cccs2)c2ccccc2)CC1 ZINC000058438142 568918805 /nfs/dbraw/zinc/91/88/05/568918805.db2.gz SUGRCMSOTFJOOJ-OAQYLSRUSA-N 1 1 400.592 3.357 50 0 HGAAMO CN1CCC([N@@H+](C)C[C@@H](NC(=O)NCCc2cccs2)c2ccccc2)CC1 ZINC000058438142 568918806 /nfs/dbraw/zinc/91/88/06/568918806.db2.gz SUGRCMSOTFJOOJ-OAQYLSRUSA-N 1 1 400.592 3.357 50 0 HGAAMO CCC(CC)[C@H](CNC(=O)c1ccc(F)cc1Br)[NH+]1CCOCC1 ZINC000012733829 568923906 /nfs/dbraw/zinc/92/39/06/568923906.db2.gz PZZJRDZGNGSRDV-KRWDZBQOSA-N 1 1 401.320 3.455 50 0 HGAAMO COc1cc(NC(=O)CSc2nc(C[NH+](C)C)nc3ccccc32)cc(OC)c1 ZINC000031619073 568928614 /nfs/dbraw/zinc/92/86/14/568928614.db2.gz POMWBHGBNFGEJO-UHFFFAOYSA-N 1 1 412.515 3.439 50 0 HGAAMO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000012743716 568930150 /nfs/dbraw/zinc/93/01/50/568930150.db2.gz XISUZNQPSCVJFF-CYBMUJFWSA-N 1 1 403.429 3.348 50 0 HGAAMO O=C(CN1CCCC1)Nc1ccc(Cc2ccc(NC(=O)C[NH+]3CCCC3)cc2)cc1 ZINC000004114057 568944345 /nfs/dbraw/zinc/94/43/45/568944345.db2.gz YNNKKMKHXXUFLP-UHFFFAOYSA-N 1 1 420.557 3.346 50 0 HGAAMO C[C@@H]1C[C@@H](C)C[NH+](Cc2csc(NC(=O)CNC(=O)c3ccccc3F)n2)C1 ZINC000012783510 568958987 /nfs/dbraw/zinc/95/89/87/568958987.db2.gz LAFDFCSACUHLBD-ZIAGYGMSSA-N 1 1 404.511 3.129 50 0 HGAAMO CC[C@H](c1nnc(S[C@@H](C)C(=O)NC2CC2)n1-c1ccc(OC)cc1)[NH+](C)C ZINC000008427805 569002095 /nfs/dbraw/zinc/00/20/95/569002095.db2.gz FBTCVPVSQQZIEI-SUMWQHHRSA-N 1 1 403.552 3.048 50 0 HGAAMO COc1ccc(C[N@H+]2CCN(Cc3c[nH]nc3-c3ccccc3)C[C@H]2CCO)cc1C ZINC000104504456 569008808 /nfs/dbraw/zinc/00/88/08/569008808.db2.gz QKGWCPKGGHPHSH-HSZRJFAPSA-N 1 1 420.557 3.463 50 0 HGAAMO COc1ccc(CN2CC[N@H+](Cc3c[nH]nc3-c3ccccc3)C[C@H]2CCO)cc1C ZINC000104504456 569008809 /nfs/dbraw/zinc/00/88/09/569008809.db2.gz QKGWCPKGGHPHSH-HSZRJFAPSA-N 1 1 420.557 3.463 50 0 HGAAMO COc1ccc(CN2CC[N@@H+](Cc3c[nH]nc3-c3ccccc3)C[C@H]2CCO)cc1C ZINC000104504456 569008810 /nfs/dbraw/zinc/00/88/10/569008810.db2.gz QKGWCPKGGHPHSH-HSZRJFAPSA-N 1 1 420.557 3.463 50 0 HGAAMO COc1cccc(C[N@H+]2CCN(Cc3c[nH]nc3-c3cccc(F)c3)C[C@H]2CCO)c1 ZINC000104520216 569008881 /nfs/dbraw/zinc/00/88/81/569008881.db2.gz UXORMGYYTWOYNL-JOCHJYFZSA-N 1 1 424.520 3.293 50 0 HGAAMO COc1cccc(CN2CCN(Cc3c[nH]nc3-c3cccc(F)c3)C[C@H]2CCO)c1 ZINC000104520216 569008882 /nfs/dbraw/zinc/00/88/82/569008882.db2.gz UXORMGYYTWOYNL-JOCHJYFZSA-N 1 1 424.520 3.293 50 0 HGAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)CCC(=O)N1C[C@@H](C)Oc2ccccc21 ZINC000015942060 569024184 /nfs/dbraw/zinc/02/41/84/569024184.db2.gz NTEYKFUGBCPPGP-RTBURBONSA-N 1 1 401.551 3.352 50 0 HGAAMO Clc1ccccc1-c1ccc(C[NH+]2CCN(c3ccc4nnnn4n3)CC2)s1 ZINC000012932059 569024890 /nfs/dbraw/zinc/02/48/90/569024890.db2.gz DTGKWPUQPHUPMJ-UHFFFAOYSA-N 1 1 411.922 3.223 50 0 HGAAMO CC(C)[C@@H](CNC(=O)c1cccc(NC(=O)c2cccs2)c1)[NH+]1CCOCC1 ZINC000012935995 569026856 /nfs/dbraw/zinc/02/68/56/569026856.db2.gz IJWYTXKCCKHQIB-GOSISDBHSA-N 1 1 401.532 3.087 50 0 HGAAMO O=c1c(Cl)c(N2CC[NH+](Cc3ccccc3)CC2)cnn1-c1nc2ccccc2[nH]1 ZINC000053516929 569031239 /nfs/dbraw/zinc/03/12/39/569031239.db2.gz LALNFURZAFLQRZ-UHFFFAOYSA-N 1 1 420.904 3.084 50 0 HGAAMO Cc1ccc(NC(=O)Cn2c(C)nc3c(c2=O)CC[N@H+](Cc2ccccc2)C3)cc1 ZINC000035456064 569037839 /nfs/dbraw/zinc/03/78/39/569037839.db2.gz TYMHHFIXEHOHSY-UHFFFAOYSA-N 1 1 402.498 3.057 50 0 HGAAMO Cc1ccc(NC(=O)Cn2c(C)nc3c(c2=O)CC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000035456064 569037840 /nfs/dbraw/zinc/03/78/40/569037840.db2.gz TYMHHFIXEHOHSY-UHFFFAOYSA-N 1 1 402.498 3.057 50 0 HGAAMO COC(=O)c1sccc1S(=O)(=O)NC[C@H](c1csc2ccccc21)[NH+](C)C ZINC000575621431 569039047 /nfs/dbraw/zinc/03/90/47/569039047.db2.gz OEDZZAKGIXBTCD-CQSZACIVSA-N 1 1 424.569 3.331 50 0 HGAAMO CSCC[C@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)Nc1ccc(C)cc1C ZINC000035485538 569039776 /nfs/dbraw/zinc/03/97/76/569039776.db2.gz XABBWJGMPVILRA-SFTDATJTSA-N 1 1 411.571 3.194 50 0 HGAAMO C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@H+]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000229755937 569040680 /nfs/dbraw/zinc/04/06/80/569040680.db2.gz FPJRZUDGFHBPHE-AZUAARDMSA-N 1 1 409.530 3.393 50 0 HGAAMO C[C@@H](C(=O)NCc1ccccc1)[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000016422278 569048196 /nfs/dbraw/zinc/04/81/96/569048196.db2.gz ACDCNXGMJLWWQY-INIZCTEOSA-N 1 1 406.452 3.317 50 0 HGAAMO C[C@@H](C(=O)NCc1ccccc1)[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000016422278 569048197 /nfs/dbraw/zinc/04/81/97/569048197.db2.gz ACDCNXGMJLWWQY-INIZCTEOSA-N 1 1 406.452 3.317 50 0 HGAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)c1[nH]nc2c1COc1ccccc1-2 ZINC000409414042 569051558 /nfs/dbraw/zinc/05/15/58/569051558.db2.gz MXKDTEPHUHMETM-FXAWDEMLSA-N 1 1 424.545 3.322 50 0 biogenic HGAAMO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1n[nH]c2c1COc1ccccc1-2 ZINC000409414042 569051559 /nfs/dbraw/zinc/05/15/59/569051559.db2.gz MXKDTEPHUHMETM-FXAWDEMLSA-N 1 1 424.545 3.322 50 0 biogenic HGAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)c1n[nH]c2c1COc1ccccc1-2 ZINC000409414042 569051560 /nfs/dbraw/zinc/05/15/60/569051560.db2.gz MXKDTEPHUHMETM-FXAWDEMLSA-N 1 1 424.545 3.322 50 0 biogenic HGAAMO CC[NH+]1CCN(C(=O)c2cc3oc(C)cc3n2Cc2cc(OC)cc(OC)c2)CC1 ZINC000035838329 569062014 /nfs/dbraw/zinc/06/20/14/569062014.db2.gz ORGWNOYMUOLOSR-UHFFFAOYSA-N 1 1 411.502 3.386 50 0 HGAAMO CCCC(=O)OC[C@H](O)C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cccc(OC)c1 ZINC000036098498 569090856 /nfs/dbraw/zinc/09/08/56/569090856.db2.gz HJMOYUVBLFVWEI-LJQANCHMSA-N 1 1 415.486 3.130 50 0 HGAAMO COc1cccc(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@H](O)COCC(C)C)c1 ZINC000036098473 569090914 /nfs/dbraw/zinc/09/09/14/569090914.db2.gz JJEVFARBIUGXSW-FQEVSTJZSA-N 1 1 401.503 3.460 50 0 HGAAMO Cc1ccc(C[N@@H+](CCN2CCOCC2)C[C@@H](O)COCc2ccccc2)c(C)c1 ZINC000036098854 569090952 /nfs/dbraw/zinc/09/09/52/569090952.db2.gz FFQCSGFPJKCLQQ-RUZDIDTESA-N 1 1 412.574 3.015 50 0 HGAAMO CCNC(=O)N(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)CC(C)C ZINC000036249638 569119174 /nfs/dbraw/zinc/11/91/74/569119174.db2.gz URMADZXLJJFGDW-UHFFFAOYSA-N 1 1 417.529 3.420 50 0 HGAAMO CC[C@H](C)[N@@H+](CCNC(=O)Cn1c(=O)c2cccn2c2cccnc21)C1CCCCC1 ZINC000006797308 569125193 /nfs/dbraw/zinc/12/51/93/569125193.db2.gz KNZGPMCAJOGTBJ-SFHVURJKSA-N 1 1 423.561 3.199 50 0 HGAAMO C[C@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)CC1CC1 ZINC000036309085 569129914 /nfs/dbraw/zinc/12/99/14/569129914.db2.gz YJMIRHVDCFQELY-UWJYYQICSA-N 1 1 414.571 3.346 50 0 HGAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccc3nc(N4CCOCC4)sc3c2)C1 ZINC000006806348 569130975 /nfs/dbraw/zinc/13/09/75/569130975.db2.gz HDHVHNAVHDKTKZ-CALCHBBNSA-N 1 1 416.591 3.231 50 0 HGAAMO Cc1ccc(C2=NN(C(=O)C[NH+]3CCC(C(N)=O)CC3)[C@H](c3ccccc3)C2)c(C)c1 ZINC000036342610 569142125 /nfs/dbraw/zinc/14/21/25/569142125.db2.gz FIAUQEUMEMXCJO-QHCPKHFHSA-N 1 1 418.541 3.178 50 0 HGAAMO O=C(Nc1ccc(Cl)cc1F)N1CCC[N@@H+]([C@H]2CCN(CC3CC3)C2=O)CC1 ZINC000169792346 569178025 /nfs/dbraw/zinc/17/80/25/569178025.db2.gz GZRPMAUNJMVSEE-SFHVURJKSA-N 1 1 408.905 3.030 50 0 HGAAMO O=C(Nc1ccc(Cl)cc1F)N1CCC[N@H+]([C@H]2CCN(CC3CC3)C2=O)CC1 ZINC000169792346 569178026 /nfs/dbraw/zinc/17/80/26/569178026.db2.gz GZRPMAUNJMVSEE-SFHVURJKSA-N 1 1 408.905 3.030 50 0 HGAAMO CCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc1C[NH+]1CCC(C)CC1 ZINC000006908091 569178756 /nfs/dbraw/zinc/17/87/56/569178756.db2.gz INNPSJZOCKAACF-UHFFFAOYSA-N 1 1 404.580 3.463 50 0 HGAAMO COc1ccc(C(=O)N2CCN(c3nc(C[NH+]4CCC(C)CC4)cs3)CC2)cc1 ZINC000065200311 569193662 /nfs/dbraw/zinc/19/36/62/569193662.db2.gz TTYCVOSXEZSPBM-UHFFFAOYSA-N 1 1 414.575 3.346 50 0 HGAAMO CCC[NH+]1CCN(C(=O)c2c(C)oc3ccn(Cc4ccc(F)cc4)c(=O)c32)CC1 ZINC000065230414 569200630 /nfs/dbraw/zinc/20/06/30/569200630.db2.gz XQCIUVQBAZDMTD-UHFFFAOYSA-N 1 1 411.477 3.258 50 0 HGAAMO O=c1c2cc(-c3ccc(F)cc3)nn2ccn1Cc1noc(C[NH+]2CCCCCC2)n1 ZINC000065235913 569202481 /nfs/dbraw/zinc/20/24/81/569202481.db2.gz PFZFZIWBLFXFBS-UHFFFAOYSA-N 1 1 422.464 3.109 50 0 HGAAMO CC[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2c(C)oc3ncn(C)c(=O)c32)o1 ZINC000065329564 569224845 /nfs/dbraw/zinc/22/48/45/569224845.db2.gz ZJVPDFNRTRHKJR-OAHLLOKOSA-N 1 1 412.490 3.122 50 0 HGAAMO CC(C)(C)OC(=O)N1CCC(CC[N@H+]2CCC[C@H]2C(=O)NCc2ccco2)CC1 ZINC000170591334 569240713 /nfs/dbraw/zinc/24/07/13/569240713.db2.gz LQZHUWDNKMASHT-IBGZPJMESA-N 1 1 405.539 3.397 50 0 HGAAMO O=C(CC[C@H](O)c1ccc2c(c1)CCC(=O)N2)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000170597790 569242198 /nfs/dbraw/zinc/24/21/98/569242198.db2.gz WDJHVOIQPUXOTG-GMAHTHKFSA-N 1 1 421.541 3.166 50 0 HGAAMO COc1cc(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cnc1Br ZINC000170606404 569244394 /nfs/dbraw/zinc/24/43/94/569244394.db2.gz AZYGSGTZRYMKBT-AWEZNQCLSA-N 1 1 404.308 3.199 50 0 HGAAMO COc1cc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cnc1Br ZINC000170606404 569244396 /nfs/dbraw/zinc/24/43/96/569244396.db2.gz AZYGSGTZRYMKBT-AWEZNQCLSA-N 1 1 404.308 3.199 50 0 HGAAMO O=C(NCCc1nc(-c2ccccc2)n[nH]1)Nc1ccccc1C[NH+]1CCSCC1 ZINC000170616999 569247634 /nfs/dbraw/zinc/24/76/34/569247634.db2.gz GPGMIOUQLHRSAH-UHFFFAOYSA-N 1 1 422.558 3.385 50 0 HGAAMO Cc1cccc(C(=O)N2CCC[N@@H+](C[C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c1 ZINC000170639686 569281344 /nfs/dbraw/zinc/28/13/44/569281344.db2.gz UGUZSXWUBGIULH-LJQANCHMSA-N 1 1 401.551 3.400 50 0 HGAAMO CC[NH+](CC)CCN(C(=O)c1ccco1)c1nc2ccc(S(C)(=O)=O)cc2s1 ZINC000007599671 569288260 /nfs/dbraw/zinc/28/82/60/569288260.db2.gz VCEQBZLTRSONEI-UHFFFAOYSA-N 1 1 421.544 3.281 50 0 HGAAMO Cc1cc(C[NH+]2CCC(N3CCN(c4cc(C(F)(F)F)ccn4)CC3)CC2)on1 ZINC000252488764 569289492 /nfs/dbraw/zinc/28/94/92/569289492.db2.gz IYLCWJVMEWZQNL-UHFFFAOYSA-N 1 1 409.456 3.183 50 0 HGAAMO COc1ccc(C[N@H+](C)CC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)cc1 ZINC000007653000 569298882 /nfs/dbraw/zinc/29/88/82/569298882.db2.gz XFUDBUPBMDKKFU-UHFFFAOYSA-N 1 1 419.407 3.365 50 0 HGAAMO COc1ccc(C[N@@H+](C)CC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)cc1 ZINC000007653000 569298883 /nfs/dbraw/zinc/29/88/83/569298883.db2.gz XFUDBUPBMDKKFU-UHFFFAOYSA-N 1 1 419.407 3.365 50 0 HGAAMO CO[C@H](C[NH+]1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1)c1ccc(Cl)cc1 ZINC000253392202 569365000 /nfs/dbraw/zinc/36/50/00/569365000.db2.gz GICNUFWTFOYAJK-DBXWQHBBSA-N 1 1 407.986 3.150 50 0 HGAAMO O=C(NCCC[NH+]1CCOCC1)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1 ZINC000027689653 569390251 /nfs/dbraw/zinc/39/02/51/569390251.db2.gz KMZQTFVZENXALT-UHFFFAOYSA-N 1 1 414.893 3.238 50 0 HGAAMO COc1ccc(-c2cc(C(=O)NC[C@H]3CCC[N@H+]4CCCC[C@H]34)n(C)n2)c(OC)c1 ZINC000225407568 569394056 /nfs/dbraw/zinc/39/40/56/569394056.db2.gz MQBBIEKHQOAWIV-OXQOHEQNSA-N 1 1 412.534 3.099 50 0 biogenic HGAAMO Cc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000013068781 569408480 /nfs/dbraw/zinc/40/84/80/569408480.db2.gz RPFBVQPIVYJZTG-GOSISDBHSA-N 1 1 415.559 3.239 50 0 HGAAMO CCc1nnc(-c2ccc(NC(=O)NC[C@H](CC(C)C)[NH+]3CCOCC3)cc2)o1 ZINC000078975089 569422650 /nfs/dbraw/zinc/42/26/50/569422650.db2.gz MPWQEVNQEQQMTE-SFHVURJKSA-N 1 1 401.511 3.167 50 0 HGAAMO C[C@@H]([NH2+]Cc1cnn([C@@]2(C)CCS(=O)(=O)C2)c1)c1ccccc1Br ZINC000079108812 569427793 /nfs/dbraw/zinc/42/77/93/569427793.db2.gz HYNKILQJRBXKIG-DYVFJYSZSA-N 1 1 412.353 3.030 50 0 HGAAMO CCOC(=O)C1=C(C[NH+]2CCCCCC2)NC(=O)N[C@H]1c1ccc(SC)cc1 ZINC000067286937 571065140 /nfs/dbraw/zinc/06/51/40/571065140.db2.gz FWZBATGFQPOQQE-IBGZPJMESA-N 1 1 403.548 3.456 50 0 HGAAMO CCC[N@H+]1CCc2nc(SCC(=O)N(C)c3cccc(Cl)c3)[nH]c(=O)c2C1 ZINC000067291897 571067998 /nfs/dbraw/zinc/06/79/98/571067998.db2.gz KEIGOVJYTQSGEA-UHFFFAOYSA-N 1 1 406.939 3.359 50 0 HGAAMO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccsc1 ZINC000008863671 571128876 /nfs/dbraw/zinc/12/88/76/571128876.db2.gz BCCFFJCXRXMGPK-CQSZACIVSA-N 1 1 401.410 3.004 50 0 HGAAMO O=c1c(Cl)c(NCc2ccccc2C[NH+]2CCOCC2)cnn1Cc1ccccc1 ZINC000039982742 571136231 /nfs/dbraw/zinc/13/62/31/571136231.db2.gz DRYOOHZLAAUWJN-UHFFFAOYSA-N 1 1 424.932 3.389 50 0 HGAAMO FC(F)Sc1ccc(NC(=S)NC[C@H]([C@H]2CCOC2)[NH+]2CCOCC2)cc1 ZINC000040050380 571144071 /nfs/dbraw/zinc/14/40/71/571144071.db2.gz GYHBUUZKNHNCTJ-XJKSGUPXSA-N 1 1 417.547 3.025 50 0 HGAAMO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)C1 ZINC000040112683 571170795 /nfs/dbraw/zinc/17/07/95/571170795.db2.gz DPVQUCIAAAIFJO-SFHVURJKSA-N 1 1 421.607 3.149 50 0 HGAAMO O=C(C[NH+]1CCC(CN2C(=O)c3ccccc3C2=O)CC1)Nc1cccc(Cl)c1 ZINC000040149573 571196893 /nfs/dbraw/zinc/19/68/93/571196893.db2.gz GBHZMJWHSNSMQK-UHFFFAOYSA-N 1 1 411.889 3.287 50 0 HGAAMO COc1ccc(CNC2=[NH+][C@H](c3ccc(Cl)cc3)n3c(=O)cc(C)nc3N2)cc1 ZINC000009225425 571238794 /nfs/dbraw/zinc/23/87/94/571238794.db2.gz BKSZUOMDHSRIAN-IBGZPJMESA-N 1 1 409.877 3.332 50 0 HGAAMO CC[NH+](CC)c1ccc(Nc2c(=O)c(=O)c2-c2ccc3c(c2)OCC(=O)N3)c(C)c1 ZINC000009274026 571244492 /nfs/dbraw/zinc/24/44/92/571244492.db2.gz NSMUSEZXUZMSTI-UHFFFAOYSA-N 1 1 405.454 3.179 50 0 HGAAMO Cc1cc(=O)n2c(n1)NC(N1CCC([NH+]3CCCCC3)CC1)=N[C@H]2[C@@H]1CC=CCC1 ZINC000009289510 571245331 /nfs/dbraw/zinc/24/53/31/571245331.db2.gz GSIKTTRSOHBPIU-WIYYLYMNSA-N 1 1 410.566 3.138 50 0 HGAAMO Cc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@@H+]2[C@@]32C(=O)Nc3c2cccc3Cl)c1 ZINC000009446438 571259617 /nfs/dbraw/zinc/25/96/17/571259617.db2.gz RZRFQEFWANJFIU-DDOIHHOZSA-N 1 1 421.884 3.080 50 0 HGAAMO Cc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@H+]2[C@@]32C(=O)Nc3c2cccc3Cl)c1 ZINC000009446438 571259619 /nfs/dbraw/zinc/25/96/19/571259619.db2.gz RZRFQEFWANJFIU-DDOIHHOZSA-N 1 1 421.884 3.080 50 0 HGAAMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000009824143 571286400 /nfs/dbraw/zinc/28/64/00/571286400.db2.gz RAAVOIBPMVIKAG-HXUWFJFHSA-N 1 1 424.504 3.390 50 0 HGAAMO CN1c2cc(C(=O)NCCC[N@@H+](C)Cc3ccccc3)ccc2N2CCCC[C@H]2C1=O ZINC000009528820 132340630 /nfs/dbraw/zinc/34/06/30/132340630.db2.gz RBUMMOVOJSWFBL-QFIPXVFZSA-N 1 1 420.557 3.274 50 0 HGAAMO C[NH+]1CCN(c2nc3c(cnn3-c3ccccc3)c(Nc3cccc(F)c3)n2)CC1 ZINC000009622857 132341871 /nfs/dbraw/zinc/34/18/71/132341871.db2.gz BCHXVAKTXIAJJT-UHFFFAOYSA-N 1 1 403.465 3.450 50 0 HGAAMO CC(C)c1ccc(C(=O)N2CC[NH+](C[C@H](O)COCc3cccs3)CC2)cc1 ZINC000032772177 519834703 /nfs/dbraw/zinc/83/47/03/519834703.db2.gz PCHFEYRGGLOZNU-FQEVSTJZSA-N 1 1 402.560 3.207 50 0 HGAAMO CCOC(=O)C1=C(C[N@@H+]2CC[C@H](c3ccccc3)C2)NC(=O)N[C@@H]1c1cccs1 ZINC000020559172 520516567 /nfs/dbraw/zinc/51/65/67/520516567.db2.gz JCTRTFKUPYSGHS-OXJNMPFZSA-N 1 1 411.527 3.409 50 0 HGAAMO CCOC(=O)C1=C(C[N@H+]2CC[C@H](c3ccccc3)C2)NC(=O)N[C@@H]1c1cccs1 ZINC000020559172 520516573 /nfs/dbraw/zinc/51/65/73/520516573.db2.gz JCTRTFKUPYSGHS-OXJNMPFZSA-N 1 1 411.527 3.409 50 0 HGAAMO CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)CN1CC[NH+](C)CC1 ZINC000020449529 521370096 /nfs/dbraw/zinc/37/00/96/521370096.db2.gz VKQIWIFQIGJHKJ-UHFFFAOYSA-N 1 1 401.532 3.086 50 0 HGAAMO CCCCn1c2ccc(S(N)(=O)=O)cc2nc1C[N@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC000245237528 521372688 /nfs/dbraw/zinc/37/26/88/521372688.db2.gz MGJMOSOSEXRDQM-IRXDYDNUSA-N 1 1 404.580 3.496 50 0 HGAAMO CCOc1ccccc1C[N@@H+]1CCN(Cc2cccc(OC)c2OC)C[C@@H]1CCO ZINC000020598345 521484926 /nfs/dbraw/zinc/48/49/26/521484926.db2.gz VFNLBKKLXIXSEV-NRFANRHFSA-N 1 1 414.546 3.171 50 0 HGAAMO CCOc1ccccc1C[N@H+]1CCN(Cc2cccc(OC)c2OC)C[C@@H]1CCO ZINC000020598345 521484939 /nfs/dbraw/zinc/48/49/39/521484939.db2.gz VFNLBKKLXIXSEV-NRFANRHFSA-N 1 1 414.546 3.171 50 0 HGAAMO C[N@@H+]1CCN(C(=O)c2cccc(CN3C(=O)CSC3=O)c2)[C@H](c2ccccc2)C1 ZINC000032909523 523883674 /nfs/dbraw/zinc/88/36/74/523883674.db2.gz FMRFZXSHPDHBDE-IBGZPJMESA-N 1 1 409.511 3.011 50 0 HGAAMO C[N@H+]1CCN(C(=O)c2cccc(CN3C(=O)CSC3=O)c2)[C@H](c2ccccc2)C1 ZINC000032909523 523883682 /nfs/dbraw/zinc/88/36/82/523883682.db2.gz FMRFZXSHPDHBDE-IBGZPJMESA-N 1 1 409.511 3.011 50 0 HGAAMO C[N@@H+]1CCN(C(=O)c2cccc(CN3C(=O)CSC3=O)c2)[C@@H](c2ccccc2)C1 ZINC000032909522 523883716 /nfs/dbraw/zinc/88/37/16/523883716.db2.gz FMRFZXSHPDHBDE-LJQANCHMSA-N 1 1 409.511 3.011 50 0 HGAAMO C[N@H+]1CCN(C(=O)c2cccc(CN3C(=O)CSC3=O)c2)[C@@H](c2ccccc2)C1 ZINC000032909522 523883719 /nfs/dbraw/zinc/88/37/19/523883719.db2.gz FMRFZXSHPDHBDE-LJQANCHMSA-N 1 1 409.511 3.011 50 0 HGAAMO COc1ccccc1N1CCN([C@@H]2CCC[N@@H+](Cc3cnc(N(C)C)s3)C2)CC1 ZINC000020540454 524560477 /nfs/dbraw/zinc/56/04/77/524560477.db2.gz UCPAGMAKAFZZKN-GOSISDBHSA-N 1 1 415.607 3.004 50 0 HGAAMO COc1ccccc1N1CC[NH+]([C@@H]2CCCN(Cc3cnc(N(C)C)s3)C2)CC1 ZINC000020540454 524560491 /nfs/dbraw/zinc/56/04/91/524560491.db2.gz UCPAGMAKAFZZKN-GOSISDBHSA-N 1 1 415.607 3.004 50 0 HGAAMO Cc1c(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cnn1-c1ccccc1F ZINC000032903479 525628363 /nfs/dbraw/zinc/62/83/63/525628363.db2.gz ICKOJMNCSZRQFY-UHFFFAOYSA-N 1 1 408.477 3.082 50 0 HGAAMO Nc1c(-c2nc3ccccc3[nH]2)c2nc3ccccc3nc2n1CC[NH+]1CCOCC1 ZINC000020477842 527423860 /nfs/dbraw/zinc/42/38/60/527423860.db2.gz HTMAHQMRTMFCRW-UHFFFAOYSA-N 1 1 413.485 3.042 50 0 HGAAMO COc1ccc(CC(=O)NC[C@@H]2CCC[N@@H+](Cc3cc(OC)cc(OC)c3)C2)cc1 ZINC000011661622 558265597 /nfs/dbraw/zinc/26/55/97/558265597.db2.gz YRXLBFVAAKEIJO-IBGZPJMESA-N 1 1 412.530 3.283 50 0 HGAAMO O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCC[N@@H+](Cc2cccc3c2OCO3)C1 ZINC000011763046 558273659 /nfs/dbraw/zinc/27/36/59/558273659.db2.gz ZYKDWGBQVYZCJV-SFHVURJKSA-N 1 1 404.470 3.452 50 0 HGAAMO CCOC(=O)[C@@]1(Cc2ccc(F)cc2F)CCC[N@H+](C2CCN(C(C)=O)CC2)C1 ZINC000011817522 558280967 /nfs/dbraw/zinc/28/09/67/558280967.db2.gz LOGBHXDZHUPWOZ-JOCHJYFZSA-N 1 1 408.489 3.164 50 0 HGAAMO CCOc1ccc(CN2CC[C@@H]([N@@H+](C)CCc3ccccn3)[C@H](O)C2)cc1Cl ZINC000011821475 558284804 /nfs/dbraw/zinc/28/48/04/558284804.db2.gz AWGXCBJOJFHRDF-NHCUHLMSSA-N 1 1 403.954 3.243 50 0 HGAAMO COc1cc(CN2CC[N@@H+](Cc3c[nH]c4ccccc34)C[C@@H]2CCO)cc(OC)c1 ZINC000019837810 558293115 /nfs/dbraw/zinc/29/31/15/558293115.db2.gz SGULMEIZOAKGCK-FQEVSTJZSA-N 1 1 409.530 3.254 50 0 HGAAMO O=C1C[C@H](c2nc3ccccc3n2CC[NH+]2CCOCC2)CN1c1ccc(F)cc1 ZINC000019897675 558304162 /nfs/dbraw/zinc/30/41/62/558304162.db2.gz ARPMGPMADYUZRI-KRWDZBQOSA-N 1 1 408.477 3.028 50 0 HGAAMO COC(=O)CCC(=O)N(C)C[C@@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000012025126 558309901 /nfs/dbraw/zinc/30/99/01/558309901.db2.gz SZKBGFKGTVEJCC-KRWDZBQOSA-N 1 1 414.468 3.372 50 0 HGAAMO CCOC(=O)N1CCC(NC(=O)CC[N@H+]2Cc3cc(Cl)ccc3O[C@H](C)C2)CC1 ZINC000012041898 558313067 /nfs/dbraw/zinc/31/30/67/558313067.db2.gz IJGOOMFXCVIBNZ-OAHLLOKOSA-N 1 1 423.941 3.050 50 0 HGAAMO CCOC(=O)N1CCC(NC(=O)CC[N@@H+]2Cc3cc(Cl)ccc3O[C@H](C)C2)CC1 ZINC000012041898 558313070 /nfs/dbraw/zinc/31/30/70/558313070.db2.gz IJGOOMFXCVIBNZ-OAHLLOKOSA-N 1 1 423.941 3.050 50 0 HGAAMO CCOc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(c4nc5ccccc5[nH]4)CC3)C2=O)cc1 ZINC000020176534 558343921 /nfs/dbraw/zinc/34/39/21/558343921.db2.gz CISVYJMJGOHDIT-OAQYLSRUSA-N 1 1 418.497 3.473 50 0 HGAAMO Cc1ccccc1C[N@H+]1CCN(Cc2cnn(-c3ccc(F)cc3)c2)C[C@@H]1CCO ZINC000020203021 558346047 /nfs/dbraw/zinc/34/60/47/558346047.db2.gz NOCNTCCVEKQEMY-DEOSSOPVSA-N 1 1 408.521 3.389 50 0 HGAAMO NNc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[N@@H+](Cc1ccccc1)C3 ZINC000020263523 558352539 /nfs/dbraw/zinc/35/25/39/558352539.db2.gz BBUYNCSVYOTHAI-UHFFFAOYSA-N 1 1 403.511 3.291 50 0 HGAAMO NNc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[N@H+](Cc1ccccc1)C3 ZINC000020263523 558352544 /nfs/dbraw/zinc/35/25/44/558352544.db2.gz BBUYNCSVYOTHAI-UHFFFAOYSA-N 1 1 403.511 3.291 50 0 HGAAMO C[NH+]1CCN(C(=O)[C@H](NC(=O)C2CCCCC2)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000020352003 558356836 /nfs/dbraw/zinc/35/68/36/558356836.db2.gz BODPZWLRXFVIBB-IOFSEFHDSA-N 1 1 401.595 3.042 50 0 HGAAMO COc1ccccc1N1CCN([C@@H]2CCC[N@@H+](Cc3ccc(NC(C)=O)cc3)C2)CC1 ZINC000020449826 558364811 /nfs/dbraw/zinc/36/48/11/558364811.db2.gz UOSHCDHVTQJRLY-HSZRJFAPSA-N 1 1 422.573 3.440 50 0 HGAAMO OCC[C@H]1C[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CCN1Cc1ccccc1F ZINC000020449887 558364823 /nfs/dbraw/zinc/36/48/23/558364823.db2.gz DVXACFQKSYIZKQ-NRFANRHFSA-N 1 1 412.484 3.424 50 0 HGAAMO OCC[C@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CCN1Cc1ccccc1F ZINC000020449887 558364826 /nfs/dbraw/zinc/36/48/26/558364826.db2.gz DVXACFQKSYIZKQ-NRFANRHFSA-N 1 1 412.484 3.424 50 0 HGAAMO CCOC(=O)c1n[nH]cc1CN(C)CC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000012300282 558370074 /nfs/dbraw/zinc/37/00/74/558370074.db2.gz JMVSXDQTWYBMHL-UHFFFAOYSA-N 1 1 402.514 3.112 50 0 HGAAMO O=C(NC[C@H]1CCC[N@@H+](CCCn2cccn2)C1)C1(c2ccc(Cl)cc2)CC1 ZINC000012439419 558410774 /nfs/dbraw/zinc/41/07/74/558410774.db2.gz WWJDUPWHAJUPFE-GOSISDBHSA-N 1 1 400.954 3.487 50 0 HGAAMO CCn1ncc(CN2CCC[C@@H]([N@@H+](C)CCc3ccc(OC)c(OC)c3)C2)c1C ZINC000020995602 558426824 /nfs/dbraw/zinc/42/68/24/558426824.db2.gz BBZYALXSVXPQCN-OAQYLSRUSA-N 1 1 400.567 3.368 50 0 HGAAMO Cc1ccc(-c2c3nc(C)cc(N4CC[NH+](CCO)CC4)n3nc2C(F)(F)F)cc1 ZINC000021799430 558450104 /nfs/dbraw/zinc/45/01/04/558450104.db2.gz NVCVSDKGKIXPBG-UHFFFAOYSA-N 1 1 419.451 3.146 50 0 HGAAMO Cn1cccc1[C@@H]1CCC[N@H+]1CC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000012985720 558495267 /nfs/dbraw/zinc/49/52/67/558495267.db2.gz HEUBMONCRRCIKJ-NRFANRHFSA-N 1 1 418.944 3.299 50 0 HGAAMO C[NH+]1CCN([C@H](CNC(=O)c2ccc(Br)cc2)c2cccs2)CC1 ZINC000022789457 558511956 /nfs/dbraw/zinc/51/19/56/558511956.db2.gz BHRPYISUCGRBJW-MRXNPFEDSA-N 1 1 408.365 3.229 50 0 HGAAMO COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000022799448 558512721 /nfs/dbraw/zinc/51/27/21/558512721.db2.gz NNXKJOGRRFBOQO-XUZZJYLKSA-N 1 1 423.557 3.480 50 0 HGAAMO CN(C)c1cc(NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)c2ccccc2n1 ZINC000005783074 558518115 /nfs/dbraw/zinc/51/81/15/558518115.db2.gz TZIWRRKVHVBPQG-UHFFFAOYSA-N 1 1 403.530 3.057 50 0 biogenic HGAAMO COCC[NH+]1CCN([C@H](C(=O)Nc2ccc(OC)c(Cl)c2)c2ccccc2)CC1 ZINC000022929760 558523731 /nfs/dbraw/zinc/52/37/31/558523731.db2.gz VZWHDXKVNHHUBS-NRFANRHFSA-N 1 1 417.937 3.292 50 0 HGAAMO OCC[C@H]1CN(Cc2cccn2-c2cccnc2)CC[N@H+]1CCCc1ccccc1 ZINC000023373212 558553104 /nfs/dbraw/zinc/55/31/04/558553104.db2.gz NOZMSEZRCIEDSV-DEOSSOPVSA-N 1 1 404.558 3.374 50 0 HGAAMO COc1cc(Cl)cc(CN2CC[N@H+](Cc3ccc(C)o3)[C@@H](CCO)C2)c1OC ZINC000023374133 558554004 /nfs/dbraw/zinc/55/40/04/558554004.db2.gz QXQAFBIWLRQCDH-SFHVURJKSA-N 1 1 408.926 3.327 50 0 HGAAMO COc1cc(Cl)cc(CN2CC[N@@H+](Cc3ccc(C)o3)[C@@H](CCO)C2)c1OC ZINC000023374133 558554007 /nfs/dbraw/zinc/55/40/07/558554007.db2.gz QXQAFBIWLRQCDH-SFHVURJKSA-N 1 1 408.926 3.327 50 0 HGAAMO Cc1ccccc1C[NH+]1CCN(C(=O)CCc2nc(-c3ccc(F)cc3)no2)CC1 ZINC000023638951 558564107 /nfs/dbraw/zinc/56/41/07/558564107.db2.gz REBRYPULBJDOCP-UHFFFAOYSA-N 1 1 408.477 3.461 50 0 HGAAMO COC(=O)c1sc(NC(=O)C[N@H+](Cc2ccccc2)C(C)C)c(C(=O)OC)c1C ZINC000010929335 558575696 /nfs/dbraw/zinc/57/56/96/558575696.db2.gz HAAIWHNHQAPKHP-UHFFFAOYSA-N 1 1 418.515 3.479 50 0 HGAAMO COC(=O)c1sc(NC(=O)C[N@@H+](Cc2ccccc2)C(C)C)c(C(=O)OC)c1C ZINC000010929335 558575699 /nfs/dbraw/zinc/57/56/99/558575699.db2.gz HAAIWHNHQAPKHP-UHFFFAOYSA-N 1 1 418.515 3.479 50 0 HGAAMO Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CCC(=O)N1CC[NH+](C)CC1 ZINC000013945791 558606960 /nfs/dbraw/zinc/60/69/60/558606960.db2.gz WSFKECQCMCYWFG-DEOSSOPVSA-N 1 1 416.525 3.186 50 0 HGAAMO CN(C)S(=O)(=O)c1ccc(OCC[N@H+]2CCc3sccc3[C@H]2C2CC2)cc1 ZINC000024768795 558611922 /nfs/dbraw/zinc/61/19/22/558611922.db2.gz YZQWABQKTZHZTO-HXUWFJFHSA-N 1 1 406.573 3.387 50 0 HGAAMO COc1ccc(CCC2CC[NH+](CN3C(=O)C(=O)N(C4CCCC4)C3=O)CC2)cc1 ZINC000014184736 558629954 /nfs/dbraw/zinc/62/99/54/558629954.db2.gz PCBZIESRNADSCR-UHFFFAOYSA-N 1 1 413.518 3.031 50 0 HGAAMO O=S(=O)(c1cccc(C[N@H+]2CCC[C@H]2c2ccc(F)cc2)c1)N1CCOCC1 ZINC000025443942 558641111 /nfs/dbraw/zinc/64/11/11/558641111.db2.gz UKOHCIZCERKSDB-NRFANRHFSA-N 1 1 404.507 3.184 50 0 HGAAMO O=S(=O)(c1cccc(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)c1)N1CCOCC1 ZINC000025443942 558641114 /nfs/dbraw/zinc/64/11/14/558641114.db2.gz UKOHCIZCERKSDB-NRFANRHFSA-N 1 1 404.507 3.184 50 0 HGAAMO Cn1cc(C[NH+]2CCC(C(N)=O)(N3CCCCC3)CC2)c(-c2cccc(Cl)c2)n1 ZINC000014973710 558688447 /nfs/dbraw/zinc/68/84/47/558688447.db2.gz XDGHQKFRXSHSLD-UHFFFAOYSA-N 1 1 415.969 3.046 50 0 HGAAMO CC[C@@H]1C[N@@H+](CCC(=O)NCc2ccc3c(c2)OCO3)Cc2cc(OC)ccc2O1 ZINC000014995297 558695858 /nfs/dbraw/zinc/69/58/58/558695858.db2.gz UAZQJCZNUORSGJ-GOSISDBHSA-N 1 1 412.486 3.103 50 0 HGAAMO CC[NH+](CC)C[C@H](O)COc1cc(CNCc2ccc(F)c(F)c2)ccc1OC ZINC000015070295 558712362 /nfs/dbraw/zinc/71/23/62/558712362.db2.gz WMPZMBPQYNXOHO-SFHVURJKSA-N 1 1 408.489 3.345 50 0 HGAAMO CCc1sc(C(=O)NCC(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)cc1C ZINC000029504322 558716071 /nfs/dbraw/zinc/71/60/71/558716071.db2.gz ACWVDEWDNZBDAB-MRXNPFEDSA-N 1 1 407.967 3.421 50 0 HGAAMO COc1cc2c(cc1OC)C[N@@H+](CCC(=O)Nc1ccc(N3CCCC3=O)cc1)CC2 ZINC000015414434 558739012 /nfs/dbraw/zinc/73/90/12/558739012.db2.gz PGWKYIPQNIZUQR-UHFFFAOYSA-N 1 1 423.513 3.218 50 0 HGAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1nc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 ZINC000033088544 558760926 /nfs/dbraw/zinc/76/09/26/558760926.db2.gz SOGREQQLUAERFL-LBPRGKRZSA-N 1 1 422.411 3.007 50 0 HGAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)NCCc1c[nH]c2ccccc12 ZINC000016695537 558801006 /nfs/dbraw/zinc/80/10/06/558801006.db2.gz NULPNNGKLGLRIH-QGZVFWFLSA-N 1 1 402.502 3.100 50 0 HGAAMO Cc1c(C(=O)N2CCCCC2)nnn1-c1cccc2c1CC[N@H+](Cc1ccccn1)C2 ZINC000071890447 558808024 /nfs/dbraw/zinc/80/80/24/558808024.db2.gz JXCXYRONZVHCAG-UHFFFAOYSA-N 1 1 416.529 3.155 50 0 HGAAMO Cc1c(C(=O)N2CCCCC2)nnn1-c1cccc2c1CC[N@@H+](Cc1ccccn1)C2 ZINC000071890447 558808025 /nfs/dbraw/zinc/80/80/25/558808025.db2.gz JXCXYRONZVHCAG-UHFFFAOYSA-N 1 1 416.529 3.155 50 0 HGAAMO Cc1nnc(C(=O)Nc2ccc(C(=O)NCCC[N@H+](C)C3CCCCC3)cc2)s1 ZINC000033011074 558830389 /nfs/dbraw/zinc/83/03/89/558830389.db2.gz NNTSXKKSCXDZGA-UHFFFAOYSA-N 1 1 415.563 3.483 50 0 HGAAMO CCOC(=O)c1ccc(N2C(=O)C[C@H]([NH+]3CCC(Cc4ccccc4)CC3)C2=O)cc1 ZINC000018250352 558834687 /nfs/dbraw/zinc/83/46/87/558834687.db2.gz OVIKOAWBKOLPSA-QFIPXVFZSA-N 1 1 420.509 3.450 50 0 HGAAMO Cc1nnc(C(=O)Nc2cccc(C(=O)NCCC[N@@H+]3CCCC[C@H]3C)c2)s1 ZINC000033022603 558837861 /nfs/dbraw/zinc/83/78/61/558837861.db2.gz IEXIAUCNMPXZNB-CQSZACIVSA-N 1 1 401.536 3.093 50 0 HGAAMO Cc1cccn2c(C[NH+]3CCC(CO)CC3)c(C(=O)N(C)CCc3ccccc3)nc12 ZINC000019147874 558846794 /nfs/dbraw/zinc/84/67/94/558846794.db2.gz CUGNKOSHKJGLED-UHFFFAOYSA-N 1 1 420.557 3.162 50 0 HGAAMO C[C@H]1c2cccn2CCN1C(=O)c1coc(CN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000067982686 558862450 /nfs/dbraw/zinc/86/24/50/558862450.db2.gz GVOUSXXJSZLKMR-IBGZPJMESA-N 1 1 419.529 3.011 50 0 HGAAMO Cc1c(C(=O)N2CC[NH+](C(C)C)CC2)cnn1-c1ncc(C)c(-c2cccs2)n1 ZINC000055035778 558869830 /nfs/dbraw/zinc/86/98/30/558869830.db2.gz QVGPLURRDKGYDC-UHFFFAOYSA-N 1 1 410.547 3.174 50 0 HGAAMO Cc1c(C[N@H+]2CCC[C@](CO)(Cc3ccccc3F)C2)c(=O)n(-c2ccccc2)n1C ZINC000055036633 558870046 /nfs/dbraw/zinc/87/00/46/558870046.db2.gz HPPARZKBZXTMNP-VWLOTQADSA-N 1 1 423.532 3.441 50 0 HGAAMO COC(=O)Nc1ccc2c(c1)N(C(=O)CC[NH+]1CCOCC1)c1ccccc1CC2 ZINC000019338316 558870496 /nfs/dbraw/zinc/87/04/96/558870496.db2.gz MUHZDPLHUXHUGL-UHFFFAOYSA-N 1 1 409.486 3.351 50 0 HGAAMO COc1ccc(CC[N@@H+](C)[C@@H]2CCCN(Cc3ccc4nonc4c3)C2)cc1OC ZINC000019338840 558870871 /nfs/dbraw/zinc/87/08/71/558870871.db2.gz KTXZNGMLIQCMPE-LJQANCHMSA-N 1 1 410.518 3.379 50 0 HGAAMO CC1(C)[C@H]2CC[C@]1(C)C(=O)N(CCCCN1CC[NH+](Cc3ccccc3)CC1)C2=O ZINC000019367297 558877086 /nfs/dbraw/zinc/87/70/86/558877086.db2.gz XTGMLDFXCZWGIX-SQJMNOBHSA-N 1 1 411.590 3.396 50 0 HGAAMO COCCCNC(=O)C[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 ZINC000058099719 558898921 /nfs/dbraw/zinc/89/89/21/558898921.db2.gz YHPIUKGZFYULLL-UHFFFAOYSA-N 1 1 422.529 3.132 50 0 HGAAMO COCCCNC(=O)C[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 ZINC000058099719 558898922 /nfs/dbraw/zinc/89/89/22/558898922.db2.gz YHPIUKGZFYULLL-UHFFFAOYSA-N 1 1 422.529 3.132 50 0 HGAAMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000058174309 558909038 /nfs/dbraw/zinc/90/90/38/558909038.db2.gz PIMGUNZFOKZYQU-BZUAXINKSA-N 1 1 422.367 3.039 50 0 HGAAMO CCCCOc1ccc(C(=O)NCC(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000058201873 558911394 /nfs/dbraw/zinc/91/13/94/558911394.db2.gz DCXBKGOVZDHQPG-OTWHNJEPSA-N 1 1 403.567 3.078 50 0 HGAAMO Cc1cccn2cc(CC(=O)NCc3ccccc3C[NH+]3C[C@@H](C)O[C@H](C)C3)nc12 ZINC000058405645 558924315 /nfs/dbraw/zinc/92/43/15/558924315.db2.gz SKLQQRBFSIIFSX-RTBURBONSA-N 1 1 406.530 3.111 50 0 HGAAMO CC[C@](C)(CNC(=O)Nc1ccc(C(=O)Nc2nccs2)cc1)[NH+]1CCOCC1 ZINC000058438409 558927203 /nfs/dbraw/zinc/92/72/03/558927203.db2.gz DBKPEQXYKJIJBQ-HXUWFJFHSA-N 1 1 417.535 3.018 50 0 HGAAMO COc1cccc(CN2CC[N@@H+](Cc3ccc(-n4cccn4)cc3C)C[C@@H]2CCO)c1 ZINC000019595654 558946066 /nfs/dbraw/zinc/94/60/66/558946066.db2.gz FCHUTMMZICIQPB-DEOSSOPVSA-N 1 1 420.557 3.258 50 0 HGAAMO COc1cccc(C[N@@H+]2CCN(Cc3ccc(-n4cccn4)cc3C)C[C@@H]2CCO)c1 ZINC000019595654 558946068 /nfs/dbraw/zinc/94/60/68/558946068.db2.gz FCHUTMMZICIQPB-DEOSSOPVSA-N 1 1 420.557 3.258 50 0 HGAAMO COc1cccc(C[N@H+]2CCN(Cc3ccc(-n4cccn4)cc3C)C[C@@H]2CCO)c1 ZINC000019595654 558946071 /nfs/dbraw/zinc/94/60/71/558946071.db2.gz FCHUTMMZICIQPB-DEOSSOPVSA-N 1 1 420.557 3.258 50 0 HGAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1nnc(C(=O)Nc2cccc(Cl)c2)s1 ZINC000033060339 558954610 /nfs/dbraw/zinc/95/46/10/558954610.db2.gz XKDLHIRGTASRBL-CYBMUJFWSA-N 1 1 421.954 3.438 50 0 HGAAMO CC(C)n1nccc1NC(=O)[C@@H](C)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000096833079 558988713 /nfs/dbraw/zinc/98/87/13/558988713.db2.gz OGFYQBICYXFNEW-QGZVFWFLSA-N 1 1 419.957 3.141 50 0 HGAAMO COc1ccc(C)cc1NC(=O)N1CCN(c2cc(N3CCCCC3)nc(C)[nH+]2)CC1 ZINC000067623130 558990093 /nfs/dbraw/zinc/99/00/93/558990093.db2.gz QAQSPXPEWASFLP-UHFFFAOYSA-N 1 1 424.549 3.446 50 0 HGAAMO CC(C)c1ccccc1OCCOC[C@H](O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000022466185 558996216 /nfs/dbraw/zinc/99/62/16/558996216.db2.gz LXIYMAKOXMFZHV-HSZRJFAPSA-N 1 1 412.574 3.384 50 0 HGAAMO Cc1ncn(-c2cc(N3CCN(C(=O)c4ccccc4Cl)CC3)[nH+]c(C)n2)c1C ZINC000077137502 558999503 /nfs/dbraw/zinc/99/95/03/558999503.db2.gz RCFZGAVODZJJSB-UHFFFAOYSA-N 1 1 410.909 3.203 50 0 HGAAMO C[C@@H](C(=O)N1CCC2(CN(CC[N@@H+](C)C3CCCCC3)C(=O)O2)CC1)n1cccc1 ZINC000077353762 559001970 /nfs/dbraw/zinc/00/19/70/559001970.db2.gz MQKPGDLRCZFMSN-IBGZPJMESA-N 1 1 416.566 3.127 50 0 HGAAMO C/C=C/c1ccc(OC[C@H](O)C[NH+]2CCN(c3ccccc3OC)CC2)c(OC)c1 ZINC000023115563 559012852 /nfs/dbraw/zinc/01/28/52/559012852.db2.gz GFJKXMLUPKKHHD-WWPOYFSUSA-N 1 1 412.530 3.299 50 0 HGAAMO CN(Cc1cccs1)C(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082097361 559037553 /nfs/dbraw/zinc/03/75/53/559037553.db2.gz DVDCDRMPAFJXRV-HXUWFJFHSA-N 1 1 412.603 3.478 50 0 HGAAMO CSCCCNC(=O)[C@H]1CCC[N@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000082126120 559039908 /nfs/dbraw/zinc/03/99/08/559039908.db2.gz XZKXUVZETDEGOL-KRWDZBQOSA-N 1 1 416.591 3.378 50 0 HGAAMO O=C(NCCc1ccccc1)[C@H]1CCC[N@H+](C2CCN(Cc3cscn3)CC2)C1 ZINC000082138753 559040704 /nfs/dbraw/zinc/04/07/04/559040704.db2.gz QIPOMCJCTYIHJG-FQEVSTJZSA-N 1 1 412.603 3.178 50 0 HGAAMO O=C(C1CC1)N1CCc2[nH]cnc2C12CC[NH+](Cc1cccc(Cl)c1F)CC2 ZINC000095503800 559082765 /nfs/dbraw/zinc/08/27/65/559082765.db2.gz QVOFRZYAIKIWTP-UHFFFAOYSA-N 1 1 402.901 3.488 50 0 HGAAMO Cc1nnc(CN(C)Cc2ccccc2OC[C@@H](O)C[N@@H+](C)C2CCCCC2)o1 ZINC000095517525 559084800 /nfs/dbraw/zinc/08/48/00/559084800.db2.gz REQPLWGMVNOBEY-FQEVSTJZSA-N 1 1 402.539 3.014 50 0 HGAAMO Cc1cc(OC[C@@H](O)C[NH+]2CCN(c3ncccn3)CC2)c(C(C)C)cc1Cl ZINC000014200872 559156629 /nfs/dbraw/zinc/15/66/29/559156629.db2.gz IWVFAOAZTMZXLR-KRWDZBQOSA-N 1 1 404.942 3.124 50 0 HGAAMO COc1ccc(-c2noc(CCC(=O)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)n2)cc1 ZINC000004933185 559210883 /nfs/dbraw/zinc/21/08/83/559210883.db2.gz NJSAXOHCYOGNPG-CALCHBBNSA-N 1 1 400.523 3.162 50 0 HGAAMO COc1ccc(-c2noc(CN(C)C[C@@H]3CC[N@@H+](CC(C)C)C3)n2)c(OC)c1OC ZINC000011702190 559227879 /nfs/dbraw/zinc/22/78/79/559227879.db2.gz AAQIRZFOIGEPFK-INIZCTEOSA-N 1 1 418.538 3.172 50 0 HGAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21 ZINC000247939454 559256006 /nfs/dbraw/zinc/25/60/06/559256006.db2.gz UGLPDDLJAMAXJN-DWKCODDLSA-N 1 1 421.884 3.080 50 0 HGAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000247939454 559256008 /nfs/dbraw/zinc/25/60/08/559256008.db2.gz UGLPDDLJAMAXJN-DWKCODDLSA-N 1 1 421.884 3.080 50 0 HGAAMO O=S(=O)(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1ccc2c(c1)OCO2 ZINC000011999431 559270581 /nfs/dbraw/zinc/27/05/81/559270581.db2.gz FRFJBZDSGMTYLJ-KRWDZBQOSA-N 1 1 408.907 3.184 50 0 HGAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)Cn1ccc2cc(OC)ccc21 ZINC000409413070 560723130 /nfs/dbraw/zinc/72/31/30/560723130.db2.gz BFYNHPCSAVNSKN-RBBKRZOGSA-N 1 1 413.562 3.389 50 0 biogenic HGAAMO COc1cc2c(cc1OC)-c1n[nH]c(C(=O)N(C)C[C@H]3CCC[N@H+]4CCCC[C@@H]34)c1C2 ZINC000409415207 560723478 /nfs/dbraw/zinc/72/34/78/560723478.db2.gz WYONCSJRVNDSTA-BEFAXECRSA-N 1 1 424.545 3.335 50 0 HGAAMO COc1cc2c(cc1OC)-c1[nH]nc(C(=O)N(C)C[C@H]3CCC[N@@H+]4CCCC[C@@H]34)c1C2 ZINC000409415207 560723479 /nfs/dbraw/zinc/72/34/79/560723479.db2.gz WYONCSJRVNDSTA-BEFAXECRSA-N 1 1 424.545 3.335 50 0 HGAAMO COc1cc2c(cc1OC)-c1[nH]nc(C(=O)N(C)C[C@H]3CCC[N@H+]4CCCC[C@@H]34)c1C2 ZINC000409415207 560723480 /nfs/dbraw/zinc/72/34/80/560723480.db2.gz WYONCSJRVNDSTA-BEFAXECRSA-N 1 1 424.545 3.335 50 0 HGAAMO COc1ccc(CN2CCC[C@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)c(F)c1 ZINC000012093022 560888881 /nfs/dbraw/zinc/88/88/81/560888881.db2.gz ILAMTAGXBCMVLD-GOSISDBHSA-N 1 1 405.558 3.379 50 0 HGAAMO COc1ccc(CN2CCC[C@@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)c(F)c1 ZINC000012093019 560888923 /nfs/dbraw/zinc/88/89/23/560888923.db2.gz ILAMTAGXBCMVLD-SFHVURJKSA-N 1 1 405.558 3.379 50 0 HGAAMO CCOC(=O)c1ccc(NC(=O)NC[C@H](C)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000048013705 568431982 /nfs/dbraw/zinc/43/19/82/568431982.db2.gz SWMHBNVSQHJFPO-SFHVURJKSA-N 1 1 410.518 3.196 50 0 HGAAMO Cc1sc2nc(CN3CCOCC3)nc(N3CCC([N@H+](C)C(C)C)CC3)c2c1C ZINC000048263712 568433813 /nfs/dbraw/zinc/43/38/13/568433813.db2.gz IECHLESVINDSPO-UHFFFAOYSA-N 1 1 417.623 3.449 50 0 HGAAMO O=C(CC[NH+]1CCN(CC(F)(F)F)CC1)NC(c1ccccc1)c1ccccc1 ZINC000048342327 568440506 /nfs/dbraw/zinc/44/05/06/568440506.db2.gz KBBSQLNJZPQXKD-UHFFFAOYSA-N 1 1 405.464 3.462 50 0 HGAAMO CCN(C(=O)Cn1c(C)nc2c(c1=O)C[N@@H+](Cc1ccccc1)CC2)c1ccccc1 ZINC000049400764 568447695 /nfs/dbraw/zinc/44/76/95/568447695.db2.gz YPRKANCQUMAHOJ-UHFFFAOYSA-N 1 1 416.525 3.163 50 0 HGAAMO O[C@H](COc1ccc(Br)cc1)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000022358436 568484883 /nfs/dbraw/zinc/48/48/83/568484883.db2.gz MUUXBUYJUALOFH-IBGZPJMESA-N 1 1 405.336 3.007 50 0 HGAAMO CCOC(=O)C1=C(C[N@@H+]2CC[C@@H](c3ccccc3)C2)NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000020214273 568594597 /nfs/dbraw/zinc/59/45/97/568594597.db2.gz WCLXLKQTPFXVDL-XMSQKQJNSA-N 1 1 423.488 3.486 50 0 HGAAMO CCOC(=O)C1=C(C[N@H+]2CC[C@@H](c3ccccc3)C2)NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000020214273 568594598 /nfs/dbraw/zinc/59/45/98/568594598.db2.gz WCLXLKQTPFXVDL-XMSQKQJNSA-N 1 1 423.488 3.486 50 0 HGAAMO CCOC(=O)C1C(C[N@@H+]2CC[C@@H](c3ccccc3)C2)=NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000020214273 568594600 /nfs/dbraw/zinc/59/46/00/568594600.db2.gz WCLXLKQTPFXVDL-XMSQKQJNSA-N 1 1 423.488 3.486 50 0 HGAAMO CCOC(=O)C1C(C[N@H+]2CC[C@@H](c3ccccc3)C2)=NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000020214273 568594601 /nfs/dbraw/zinc/59/46/01/568594601.db2.gz WCLXLKQTPFXVDL-XMSQKQJNSA-N 1 1 423.488 3.486 50 0 HGAAMO CC[NH+]1CCN([C@@H](c2cccs2)[C@@H](C)NC(=O)c2cccc(OC)c2OC)CC1 ZINC000020288087 568597649 /nfs/dbraw/zinc/59/76/49/568597649.db2.gz JGRZWCOBOHKORQ-OXQOHEQNSA-N 1 1 417.575 3.262 50 0 HGAAMO O=C(CCc1ccccc1Br)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000095444993 568611697 /nfs/dbraw/zinc/61/16/97/568611697.db2.gz NFWBWQJZRLZGPZ-RTBURBONSA-N 1 1 417.347 3.133 50 0 HGAAMO CC[N@H+](C)[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1 ZINC000095446995 568612197 /nfs/dbraw/zinc/61/21/97/568612197.db2.gz IYQQAHUDZBLHRI-HXUWFJFHSA-N 1 1 401.532 3.103 50 0 HGAAMO CC[N@@H+](C)[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1 ZINC000095446995 568612198 /nfs/dbraw/zinc/61/21/98/568612198.db2.gz IYQQAHUDZBLHRI-HXUWFJFHSA-N 1 1 401.532 3.103 50 0 HGAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)CCCn1c2ccccc2n2cccc2c1=O ZINC000020489788 568614292 /nfs/dbraw/zinc/61/42/92/568614292.db2.gz XERBRDKKZFASIA-IBGZPJMESA-N 1 1 408.546 3.415 50 0 HGAAMO CC(C)(C)c1ccc2c(c1)N(CC(=O)N1CC[NH+](Cc3ccccc3)CC1)C(=O)CO2 ZINC000020684935 568640338 /nfs/dbraw/zinc/64/03/38/568640338.db2.gz UIZPWHLPZZQFQH-UHFFFAOYSA-N 1 1 421.541 3.054 50 0 HGAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)C1CCN(C(=O)c2cc3sccc3n2C)CC1 ZINC000020862010 568646141 /nfs/dbraw/zinc/64/61/41/568646141.db2.gz HBNXSEOYYXNMRF-INIZCTEOSA-N 1 1 416.591 3.083 50 0 HGAAMO CCc1cc2oc(=O)cc(C[N@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)c2cc1Cl ZINC000095947239 568664803 /nfs/dbraw/zinc/66/48/03/568664803.db2.gz LLGSYLLCXDLXIH-MRXNPFEDSA-N 1 1 418.921 3.080 50 0 HGAAMO COc1ccc(OCC(=O)NC[C@@H](c2cccn2C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000021151947 568672462 /nfs/dbraw/zinc/67/24/62/568672462.db2.gz LHXLIRQDSCOYBM-DEOSSOPVSA-N 1 1 419.525 3.328 50 0 HGAAMO COc1ccc(OCC(=O)NC[C@@H](c2cccn2C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000021151947 568672465 /nfs/dbraw/zinc/67/24/65/568672465.db2.gz LHXLIRQDSCOYBM-DEOSSOPVSA-N 1 1 419.525 3.328 50 0 HGAAMO O=S(=O)(c1cccc(Br)c1)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000030383383 568675349 /nfs/dbraw/zinc/67/53/49/568675349.db2.gz AFMDCASOHMEUJF-UHFFFAOYSA-N 1 1 415.378 3.407 50 0 HGAAMO O=S(=O)(c1cccc(Br)c1)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000030383383 568675353 /nfs/dbraw/zinc/67/53/53/568675353.db2.gz AFMDCASOHMEUJF-UHFFFAOYSA-N 1 1 415.378 3.407 50 0 HGAAMO CCn1c(SCc2ccccc2C(=O)N2CC[NH+](C)CC2)nnc1-c1ccco1 ZINC000096289605 568720025 /nfs/dbraw/zinc/72/00/25/568720025.db2.gz BHRUICDKOMYOGM-UHFFFAOYSA-N 1 1 411.531 3.238 50 0 HGAAMO CC[NH+]1CCN(C(=O)[C@H]2CCc3sc(C(=O)N4CCCCCC4)cc3C2)CC1 ZINC000096398420 568747160 /nfs/dbraw/zinc/74/71/60/568747160.db2.gz SKSJNHWHTPCGRQ-KRWDZBQOSA-N 1 1 403.592 3.033 50 0 HGAAMO CC[NH+]1CCN([C@H](c2cccs2)[C@H](C)NS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000022460441 568768552 /nfs/dbraw/zinc/76/85/52/568768552.db2.gz MWEJUUKVXXTAEO-PXNSSMCTSA-N 1 1 407.605 3.102 50 0 HGAAMO O=C(COc1ccc(Cl)cc1)NCC[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000056997356 568822436 /nfs/dbraw/zinc/82/24/36/568822436.db2.gz PROYYUIQUAYZBA-UHFFFAOYSA-N 1 1 408.329 3.311 50 0 HGAAMO Cc1ccc(-n2c(CC(=O)NCC[N@@H+]3CCCC[C@H]3C)c3[nH]cccc-3c2=O)cc1 ZINC000230114148 568847480 /nfs/dbraw/zinc/84/74/80/568847480.db2.gz BPYJVMITHDWYSX-NQIIRXRSSA-N 1 1 406.530 3.472 50 0 HGAAMO O=C(NCCc1nc(-c2cccnc2)no1)[C@H]1C[C@@H](c2ccccc2)[N@H+]2CCC[C@H]12 ZINC000299800852 568876635 /nfs/dbraw/zinc/87/66/35/568876635.db2.gz WRCACOQHHCRXIW-ZCNNSNEGSA-N 1 1 403.486 3.016 50 0 HGAAMO COc1cc(C[NH2+]C[C@@H](CN(C)C)[C@@H](O)c2ccccc2)cc(OC)c1OC(F)F ZINC000058051000 568881121 /nfs/dbraw/zinc/88/11/21/568881121.db2.gz NFTJQPXUGMNBKM-PXNSSMCTSA-N 1 1 424.488 3.306 50 0 HGAAMO O=S(=O)(N[C@H]1CCCC[C@@H]1[NH+]1CCN(c2ccccc2F)CC1)c1ccccc1 ZINC000058085811 568883978 /nfs/dbraw/zinc/88/39/78/568883978.db2.gz DOPYBUKPRYMXNB-UNMCSNQZSA-N 1 1 417.550 3.237 50 0 HGAAMO COC(=O)c1cn(CCCNc2cc[nH+]c3cc(Cl)ccc23)cc2c(=O)[nH]nc1-2 ZINC000263588472 568884280 /nfs/dbraw/zinc/88/42/80/568884280.db2.gz ULMBAWQGTJBBNP-UHFFFAOYSA-N 1 1 411.849 3.167 50 0 HGAAMO CCC(CC)[C@@H](CNC(=O)c1ccc(F)cc1Br)[NH+]1CCOCC1 ZINC000012733827 568924040 /nfs/dbraw/zinc/92/40/40/568924040.db2.gz PZZJRDZGNGSRDV-QGZVFWFLSA-N 1 1 401.320 3.455 50 0 HGAAMO COc1c(C)c[nH+]c(CN2CC[NH+]([C@@H](C(=O)[O-])c3c[nH]c4ccc(C)cc43)CC2)c1C ZINC000031809652 568932265 /nfs/dbraw/zinc/93/22/65/568932265.db2.gz WSKUZRUFSNHTNW-JOCHJYFZSA-N 1 1 422.529 3.440 50 0 HGAAMO O=C(NCc1ccccc1)NC1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000084539219 568950710 /nfs/dbraw/zinc/95/07/10/568950710.db2.gz PKYKLNWTWLLCQH-JOCHJYFZSA-N 1 1 420.557 3.189 50 0 HGAAMO O=C(C[N@@H+]1CCC[C@H]1c1cccs1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000008036343 568969804 /nfs/dbraw/zinc/96/98/04/568969804.db2.gz MYDVYHQJMUZEIZ-SFHVURJKSA-N 1 1 419.572 3.308 50 0 HGAAMO O=C(C[N@H+]1CCC[C@H]1c1cccs1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000008036343 568969807 /nfs/dbraw/zinc/96/98/07/568969807.db2.gz MYDVYHQJMUZEIZ-SFHVURJKSA-N 1 1 419.572 3.308 50 0 HGAAMO COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000063634564 568996966 /nfs/dbraw/zinc/99/69/66/568996966.db2.gz SXOWRXFODRRLSQ-UHFFFAOYSA-N 1 1 419.547 3.216 50 0 HGAAMO CC[C@H](c1nnc(S[C@H](C)C(=O)NC2CC2)n1-c1ccc(OC)cc1)[NH+](C)C ZINC000008427807 569002176 /nfs/dbraw/zinc/00/21/76/569002176.db2.gz FBTCVPVSQQZIEI-CXAGYDPISA-N 1 1 403.552 3.048 50 0 HGAAMO COc1ccc(CN2CC[N@@H+](Cc3ccccc3C)[C@H](CCO)C2)c(OC)c1OC ZINC000104312234 569008236 /nfs/dbraw/zinc/00/82/36/569008236.db2.gz RBBCBZACMRZDIH-OAQYLSRUSA-N 1 1 414.546 3.090 50 0 HGAAMO COc1cc(C[N@@H+]2CCN(Cc3ccc(F)c(F)c3)C[C@H]2CCO)cc(OC)c1 ZINC000104407275 569008511 /nfs/dbraw/zinc/00/85/11/569008511.db2.gz BCJXDLDZHGSHCL-GOSISDBHSA-N 1 1 406.473 3.051 50 0 HGAAMO COc1cc(C[N@H+]2CCN(Cc3ccc(F)c(F)c3)C[C@H]2CCO)cc(OC)c1 ZINC000104407275 569008512 /nfs/dbraw/zinc/00/85/12/569008512.db2.gz BCJXDLDZHGSHCL-GOSISDBHSA-N 1 1 406.473 3.051 50 0 HGAAMO CCCc1c(O)c(C(C)=O)ccc1OC[C@@H](O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000045068639 569013043 /nfs/dbraw/zinc/01/30/43/569013043.db2.gz JNAPQFIGNCOMEC-FQEVSTJZSA-N 1 1 412.530 3.109 50 0 HGAAMO Cc1oc(-c2ccccc2F)nc1C[S@](=O)CC(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000015944482 569024402 /nfs/dbraw/zinc/02/44/02/569024402.db2.gz RYUKQJDWWRKBMI-MHTXLSKPSA-N 1 1 421.538 3.028 50 0 HGAAMO Cc1oc(-c2ccccc2F)nc1C[S@](=O)CC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000015944482 569024403 /nfs/dbraw/zinc/02/44/03/569024403.db2.gz RYUKQJDWWRKBMI-MHTXLSKPSA-N 1 1 421.538 3.028 50 0 HGAAMO CCOC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]3CCC[N@H+]3[C@]23c2ccccc2NC3=O)cc1 ZINC000016027017 569026599 /nfs/dbraw/zinc/02/65/99/569026599.db2.gz RKQZVYFIUMOCFC-YIGJPRQDSA-N 1 1 419.481 3.134 50 0 biogenic HGAAMO CCOC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]3CCC[N@H+]3[C@]23c2ccccc2NC3=O)cc1 ZINC000016027012 569026628 /nfs/dbraw/zinc/02/66/28/569026628.db2.gz RKQZVYFIUMOCFC-WVMBUTMQSA-N 1 1 419.481 3.134 50 0 biogenic HGAAMO COC(=O)c1ccc(S(=O)(=O)NC[C@@H](c2csc3ccccc32)[NH+](C)C)cc1 ZINC000575618747 569038009 /nfs/dbraw/zinc/03/80/09/569038009.db2.gz CBCRWYWSEYWYPG-SFHVURJKSA-N 1 1 418.540 3.269 50 0 HGAAMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(-n2cccn2)cc1)c1cc2ccccc2o1 ZINC000575620305 569038811 /nfs/dbraw/zinc/03/88/11/569038811.db2.gz JJXLBQIZXMVOFB-IBGZPJMESA-N 1 1 410.499 3.200 50 0 HGAAMO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(-n2cccn2)cc1)c1cc2ccccc2o1 ZINC000575620308 569038818 /nfs/dbraw/zinc/03/88/18/569038818.db2.gz JJXLBQIZXMVOFB-LJQANCHMSA-N 1 1 410.499 3.200 50 0 HGAAMO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 ZINC000013003910 569049372 /nfs/dbraw/zinc/04/93/72/569049372.db2.gz TZPPPXQGIKYADJ-QGZVFWFLSA-N 1 1 407.580 3.453 50 0 HGAAMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 ZINC000013003910 569049373 /nfs/dbraw/zinc/04/93/73/569049373.db2.gz TZPPPXQGIKYADJ-QGZVFWFLSA-N 1 1 407.580 3.453 50 0 HGAAMO CCCCc1nc(C[NH+]2CCC3(CCC(=O)N([C@H]4CC[C@H](O)CC4)C3)CC2)c[nH]1 ZINC000243957155 569055125 /nfs/dbraw/zinc/05/51/25/569055125.db2.gz CGSPHKDNJOLLRK-MXVIHJGJSA-N 1 1 402.583 3.260 50 0 HGAAMO COc1ccc(-c2nc(C(=O)N3CCCC[C@@H]([NH+]4CCN(C)CC4)C3)cs2)cc1 ZINC000089382636 569058788 /nfs/dbraw/zinc/05/87/88/569058788.db2.gz BYPSTRTUEFIIRW-GOSISDBHSA-N 1 1 414.575 3.061 50 0 HGAAMO CCOC(=O)Nc1ccc2c(C[NH+]3CCC(C(=O)OCC)CC3)cc(=O)oc2c1 ZINC000006612679 569074287 /nfs/dbraw/zinc/07/42/87/569074287.db2.gz DNIVCHDPYCGZDA-UHFFFAOYSA-N 1 1 402.447 3.137 50 0 HGAAMO Cc1[nH+]c2cc3c(cc2n1CC(=O)N[C@@H](C)c1ccc2c(c1)OCCCO2)OCCO3 ZINC000064794914 569096256 /nfs/dbraw/zinc/09/62/56/569096256.db2.gz CNTNPXRTZHTZAG-AWEZNQCLSA-N 1 1 423.469 3.155 50 0 HGAAMO C[NH+]1CCN(CC(=O)N[C@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 ZINC000019368241 569124515 /nfs/dbraw/zinc/12/45/15/569124515.db2.gz ABOLJFNFNCZTAI-SFHVURJKSA-N 1 1 401.963 3.452 50 0 HGAAMO CCOC[C@@H](O)C[N@@H+](CCCOC)Cc1c(-c2ccccc2)noc1N1CCCC1 ZINC000036312945 569133092 /nfs/dbraw/zinc/13/30/92/569133092.db2.gz RFPPXSBNCXSCGQ-FQEVSTJZSA-N 1 1 417.550 3.178 50 0 HGAAMO CCCC[N@@H+](C)CCCNC(=O)C1CCN(C(=O)c2cc3sccc3n2C)CC1 ZINC000006820822 569140373 /nfs/dbraw/zinc/14/03/73/569140373.db2.gz NGYJPUNSKXCJIX-UHFFFAOYSA-N 1 1 418.607 3.330 50 0 HGAAMO Cc1cccc(C2=NN(C(=O)C[NH+]3CCC(C(N)=O)CC3)[C@H](c3ccc(F)cc3)C2)c1 ZINC000036342944 569142131 /nfs/dbraw/zinc/14/21/31/569142131.db2.gz WYSMEVNZPAMKNQ-QFIPXVFZSA-N 1 1 422.504 3.009 50 0 HGAAMO Cc1ccc(-c2cc3n(n2)[C@@H](NCCC[N@H+]2CCc4ccccc4C2)CNC3=O)cc1 ZINC000169754491 569161127 /nfs/dbraw/zinc/16/11/27/569161127.db2.gz UGKMAIKMZKGZPJ-XMMPIXPASA-N 1 1 415.541 3.139 50 0 HGAAMO O=C(c1c(F)cccc1F)N1CCN(c2nc(C[NH+]3CCCCC3)cs2)CC1 ZINC000065200166 569193613 /nfs/dbraw/zinc/19/36/13/569193613.db2.gz ACOSDQXCDSIEMU-UHFFFAOYSA-N 1 1 406.502 3.370 50 0 HGAAMO CCc1cc(C(=O)N2CC[NH+](C)CC2)c2c(C3CC3)nn(-c3ccc(F)cc3)c2n1 ZINC000036621658 569212297 /nfs/dbraw/zinc/21/22/97/569212297.db2.gz GDXBLADJFKNRBB-UHFFFAOYSA-N 1 1 407.493 3.387 50 0 HGAAMO Cc1ccccc1C(=O)N1CCC[N@@H+]([C@@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000065293329 569218394 /nfs/dbraw/zinc/21/83/94/569218394.db2.gz YULRPMGOSYOGFC-JOCHJYFZSA-N 1 1 409.505 3.083 50 0 HGAAMO Cc1ccccc1C(=O)N1CCC[N@H+]([C@@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000065293329 569218396 /nfs/dbraw/zinc/21/83/96/569218396.db2.gz YULRPMGOSYOGFC-JOCHJYFZSA-N 1 1 409.505 3.083 50 0 HGAAMO O=C(C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1)NC[C@@H]1COc2ccccc2O1 ZINC000007554138 569249127 /nfs/dbraw/zinc/24/91/27/569249127.db2.gz TYNVYXYIZKGDFU-DLBZAZTESA-N 1 1 423.538 3.432 50 0 HGAAMO O=C(C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1)NC[C@@H]1COc2ccccc2O1 ZINC000007554138 569249128 /nfs/dbraw/zinc/24/91/28/569249128.db2.gz TYNVYXYIZKGDFU-DLBZAZTESA-N 1 1 423.538 3.432 50 0 HGAAMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(Cc2cc(Br)ccc2Cl)CC1 ZINC000089768232 569263681 /nfs/dbraw/zinc/26/36/81/569263681.db2.gz HGLHRJRYZNSWIB-MRXNPFEDSA-N 1 1 400.748 3.017 50 0 HGAAMO Cc1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCO[C@H](c3ccccc3)C2)cc1Cl ZINC000017120511 569275003 /nfs/dbraw/zinc/27/50/03/569275003.db2.gz SCQLSVAJRYDKOH-FQEVSTJZSA-N 1 1 415.921 3.167 50 0 HGAAMO Cc1ccc(NC(=O)C(=O)NCCC[N@H+]2CCO[C@H](c3ccccc3)C2)cc1Cl ZINC000017120511 569275004 /nfs/dbraw/zinc/27/50/04/569275004.db2.gz SCQLSVAJRYDKOH-FQEVSTJZSA-N 1 1 415.921 3.167 50 0 HGAAMO COc1cccc(N2CCN(C3CC[NH+](C[C@H]4COc5ccccc5O4)CC3)CC2)c1 ZINC000252492659 569290595 /nfs/dbraw/zinc/29/05/95/569290595.db2.gz MRSRAUYUHDOUKR-QHCPKHFHSA-N 1 1 423.557 3.122 50 0 HGAAMO CN1C(=O)c2ccc(C(=O)NC[C@@H](c3ccccc3Cl)[NH+]3CCCC3)cc2C1=O ZINC000027345282 569294050 /nfs/dbraw/zinc/29/40/50/569294050.db2.gz KAUNWOAXGYJLBO-IBGZPJMESA-N 1 1 411.889 3.133 50 0 HGAAMO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000253389856 569365008 /nfs/dbraw/zinc/36/50/08/569365008.db2.gz VLLJMMUWEYSLRX-GKAYAJSDSA-N 1 1 421.884 3.080 50 0 HGAAMO Brc1cc2c(c(C[NH2+]Cc3ccc(CN4CCOCC4)o3)c1)OCC2 ZINC000253429785 569368618 /nfs/dbraw/zinc/36/86/18/569368618.db2.gz IIVWURRADLMAQV-UHFFFAOYSA-N 1 1 407.308 3.099 50 0 HGAAMO CCOC(=O)c1c(C)c2ccccc2nc1N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000079014898 569423793 /nfs/dbraw/zinc/42/37/93/569423793.db2.gz SYYHPRKTSXKEAU-LJQANCHMSA-N 1 1 410.562 3.326 50 0 HGAAMO O=C(C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1)Nc1ccc(N2CCCC2)cc1 ZINC000008706955 571103880 /nfs/dbraw/zinc/10/38/80/571103880.db2.gz DSUNDARNNXARDX-UHFFFAOYSA-N 1 1 422.529 3.282 50 0 HGAAMO C[C@H](NC(=O)OCc1ccccc1)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000039976131 571135671 /nfs/dbraw/zinc/13/56/71/571135671.db2.gz WOCMOECVIBGTKX-HNAYVOBHSA-N 1 1 403.910 3.374 50 0 HGAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1cccc(OC[C@H]2CCCO2)c1 ZINC000040047164 571143111 /nfs/dbraw/zinc/14/31/11/571143111.db2.gz INTLDAKPZALIEZ-OAQYLSRUSA-N 1 1 402.535 3.009 50 0 HGAAMO CSc1ncc(Cl)c(C(=O)NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)n1 ZINC000040087458 571157906 /nfs/dbraw/zinc/15/79/06/571157906.db2.gz JOEWSSGDVQGQRG-OKILXGFUSA-N 1 1 420.966 3.391 50 0 HGAAMO C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)C[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000008937946 571165645 /nfs/dbraw/zinc/16/56/45/571165645.db2.gz WLZNWZCIOKHQAD-QGZVFWFLSA-N 1 1 420.513 3.101 50 0 HGAAMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CCN1C(=O)c2ccccc2C1=O ZINC000040112332 571170425 /nfs/dbraw/zinc/17/04/25/571170425.db2.gz KZDQYZPXIFGDPV-SFHVURJKSA-N 1 1 419.525 3.364 50 0 HGAAMO Cc1ccn2c(c1)ncc(C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)c2=O ZINC000040112385 571170534 /nfs/dbraw/zinc/17/05/34/571170534.db2.gz MTMVIXWUJMOLRX-SFHVURJKSA-N 1 1 404.514 3.307 50 0 HGAAMO COC(=O)c1ccc(OCC[N@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000040153360 571200868 /nfs/dbraw/zinc/20/08/68/571200868.db2.gz NNNBNURKBGGOKL-UHFFFAOYSA-N 1 1 423.435 3.478 50 0 HGAAMO COC(=O)c1ccc(NC(=O)C2CC[NH+](CC(=O)Nc3ccc(C)cc3)CC2)cc1 ZINC000009069206 571218209 /nfs/dbraw/zinc/21/82/09/571218209.db2.gz VAPQYQYRLQBRDT-UHFFFAOYSA-N 1 1 409.486 3.071 50 0 HGAAMO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)s1 ZINC000009268784 571244205 /nfs/dbraw/zinc/24/42/05/571244205.db2.gz STNUIDAWIKCNLA-SNVBAGLBSA-N 1 1 409.455 3.185 50 0 HGAAMO CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)s1 ZINC000009268784 571244206 /nfs/dbraw/zinc/24/42/06/571244206.db2.gz STNUIDAWIKCNLA-SNVBAGLBSA-N 1 1 409.455 3.185 50 0 HGAAMO Cc1cc(=O)n2c(n1)NC(N1CCC([NH+]3CCCCC3)CC1)=N[C@@H]2[C@@H]1CC=CCC1 ZINC000009289507 571245409 /nfs/dbraw/zinc/24/54/09/571245409.db2.gz GSIKTTRSOHBPIU-NQIIRXRSSA-N 1 1 410.566 3.138 50 0 HGAAMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)Nc1cccc(N2CCNC2=O)c1 ZINC000070011275 571253806 /nfs/dbraw/zinc/25/38/06/571253806.db2.gz MDCSPEDBJXNEBY-IBGZPJMESA-N 1 1 407.518 3.250 50 0 HGAAMO O[C@@H](COc1ccc(CN2CCN(c3ccccc3)CC2)cc1)C[NH+]1CCCCC1 ZINC000011667614 132349147 /nfs/dbraw/zinc/34/91/47/132349147.db2.gz PIDITBXHUCRDFI-XMMPIXPASA-N 1 1 409.574 3.234 50 0 HGAAMO O=C(CC[C@@H]1CCC[N@H+](Cc2cccc(O)c2)C1)N1CCN(c2ccccn2)CC1 ZINC000012111667 132354162 /nfs/dbraw/zinc/35/41/62/132354162.db2.gz OGQHAUQVJOVCJG-FQEVSTJZSA-N 1 1 408.546 3.128 50 0 HGAAMO O=C(CC[NH+]1CCN(c2ccccc2Cl)CC1)Nc1ccc2c(c1)OCCO2 ZINC000012510243 132361123 /nfs/dbraw/zinc/36/11/23/132361123.db2.gz ALZDELIKBIKAEW-UHFFFAOYSA-N 1 1 401.894 3.262 50 0 HGAAMO CC[NH+]1CCN(C(=O)COc2ccc(-c3nc(-c4ccc(C)cc4)no3)cc2)CC1 ZINC000032579004 521663407 /nfs/dbraw/zinc/66/34/07/521663407.db2.gz GDWUHVJFKNEIRE-UHFFFAOYSA-N 1 1 406.486 3.255 50 0 HGAAMO COc1cc(OC)c(CN2CC[N@@H+](CC3CCCCC3)[C@@H](CCO)C2)c(OC)c1 ZINC000020601262 522792713 /nfs/dbraw/zinc/79/27/13/522792713.db2.gz BPVSHKNEWYZKEU-IBGZPJMESA-N 1 1 406.567 3.161 50 0 HGAAMO COc1ccc(CN2CC[N@H+](C3CSCCSC3)C[C@@H]2CCO)c(C)c1C ZINC000020539622 524031528 /nfs/dbraw/zinc/03/15/28/524031528.db2.gz JNJLZAUXPSWJCE-IBGZPJMESA-N 1 1 410.649 3.029 50 0 HGAAMO COc1cccc([C@H](NC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)c2nccn2C)c1 ZINC000045304479 524163569 /nfs/dbraw/zinc/16/35/69/524163569.db2.gz KUVNYZCDZPGCQN-NQIIRXRSSA-N 1 1 413.566 3.329 50 0 HGAAMO COc1cccc(C(=O)N[C@H](C)c2nnc3n2CC[N@H+](Cc2ccc(C)cc2)CC3)c1 ZINC000020600889 525829934 /nfs/dbraw/zinc/82/99/34/525829934.db2.gz RIDDYXKGZLPNJP-GOSISDBHSA-N 1 1 419.529 3.144 50 0 HGAAMO Cc1c2cccc(Cl)c2[nH]c1CN1CC[N@@H+](C2CCN(C)CC2)[C@H](CCO)C1 ZINC000043154249 525969953 /nfs/dbraw/zinc/96/99/53/525969953.db2.gz QHPZJBWGPKSCOV-GOSISDBHSA-N 1 1 404.986 3.093 50 0 HGAAMO Cc1c2cccc(Cl)c2[nH]c1CN1CC[N@H+](C2CCN(C)CC2)[C@H](CCO)C1 ZINC000043154249 525969965 /nfs/dbraw/zinc/96/99/65/525969965.db2.gz QHPZJBWGPKSCOV-GOSISDBHSA-N 1 1 404.986 3.093 50 0 HGAAMO O=C(NCCC[NH+]1CCOCC1)c1cc2sccc2n1Cc1ccccc1F ZINC000044901067 527672549 /nfs/dbraw/zinc/67/25/49/527672549.db2.gz OQCILZSNIZRYPU-UHFFFAOYSA-N 1 1 401.507 3.342 50 0 HGAAMO O=C(NCCC[NH+]1CCOCC1)c1ccccc1NC(=O)c1ccccc1Cl ZINC000019897331 527673839 /nfs/dbraw/zinc/67/38/39/527673839.db2.gz XLGXOHHLEGISMW-UHFFFAOYSA-N 1 1 401.894 3.044 50 0 HGAAMO Cc1ccc(C[NH+]2CCN(Cc3nc(C(=O)NCc4ccccc4)co3)CC2)cc1 ZINC000034677959 557365693 /nfs/dbraw/zinc/36/56/93/557365693.db2.gz WXRBTLRAKBLVPF-UHFFFAOYSA-N 1 1 404.514 3.231 50 0 HGAAMO O=C1C[C@H]([NH+]2CCC(c3nc4ccccc4o3)CC2)C(=O)N1c1ccc2c(c1)OCO2 ZINC000004723379 557586687 /nfs/dbraw/zinc/58/66/87/557586687.db2.gz HTSDPHWVIHALKR-KRWDZBQOSA-N 1 1 419.437 3.068 50 0 HGAAMO COc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)Nc2ccc(OC)c(OC)c2)cc1OC ZINC000004862794 557607836 /nfs/dbraw/zinc/60/78/36/557607836.db2.gz AMJZAULPSPHFOB-QGZVFWFLSA-N 1 1 400.475 3.324 50 0 HGAAMO COc1ccc(C[N@H+]2CCC[C@@H]2C(=O)Nc2ccc(OC)c(OC)c2)cc1OC ZINC000004862794 557607837 /nfs/dbraw/zinc/60/78/37/557607837.db2.gz AMJZAULPSPHFOB-QGZVFWFLSA-N 1 1 400.475 3.324 50 0 HGAAMO c1ccc(CCN2Cn3c4ccccc4nc3N(CCC[NH+]3CCOCC3)C2)cc1 ZINC000006192928 557693784 /nfs/dbraw/zinc/69/37/84/557693784.db2.gz ZLSCVEJHXGTEDA-UHFFFAOYSA-N 1 1 405.546 3.038 50 0 HGAAMO Cn1cc(/C=C/C(=O)NCC2([N@@H+](C)Cc3ccccc3)Cc3ccccc3C2)cn1 ZINC000019720726 558259056 /nfs/dbraw/zinc/25/90/56/558259056.db2.gz KWKNMPVIEOSQBK-OUKQBFOZSA-N 1 1 400.526 3.219 50 0 HGAAMO CCn1cc(C[N@H+]2CCC[C@H](CCC(=O)NCc3ccc(OC)cc3OC)C2)cn1 ZINC000011704996 558270886 /nfs/dbraw/zinc/27/08/86/558270886.db2.gz ASGZWHGHAYOLQW-GOSISDBHSA-N 1 1 414.550 3.229 50 0 HGAAMO Cc1ccc(C(=O)NCCc2nnc3n2CC[N@@H+](Cc2ccccc2F)CC3)c(C)c1 ZINC000011788661 558276870 /nfs/dbraw/zinc/27/68/70/558276870.db2.gz MJEKRDWDTVEDBT-UHFFFAOYSA-N 1 1 421.520 3.065 50 0 HGAAMO Cc1ccc(C(=O)NCCc2nnc3n2CC[N@H+](Cc2ccccc2F)CC3)c(C)c1 ZINC000011788661 558276873 /nfs/dbraw/zinc/27/68/73/558276873.db2.gz MJEKRDWDTVEDBT-UHFFFAOYSA-N 1 1 421.520 3.065 50 0 HGAAMO C[NH+]1CCN(Cc2nnc3n2-c2ccc(Cl)cc2C(c2ccccc2)=NC3)CC1 ZINC000019802458 558285865 /nfs/dbraw/zinc/28/58/65/558285865.db2.gz GOGYLAXZWVRXNA-UHFFFAOYSA-N 1 1 406.921 3.019 50 0 HGAAMO O=C(NCc1ccccc1Cl)[C@@H]1CCC[N@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000011839758 558286220 /nfs/dbraw/zinc/28/62/20/558286220.db2.gz HFYFBFGQHYHYFV-GOSISDBHSA-N 1 1 403.954 3.069 50 0 HGAAMO CCOc1ccc(C[NH+]2CCN(Cc3cc(OC)c(OC)c(OC)c3)CC2)cc1 ZINC000019868050 558299325 /nfs/dbraw/zinc/29/93/25/558299325.db2.gz KWZWMUYZCAERRB-UHFFFAOYSA-N 1 1 400.519 3.429 50 0 HGAAMO O=C1C[C@@H](c2nc3ccccc3n2CC[NH+]2CCOCC2)CN1c1ccc(F)cc1 ZINC000019897676 558304199 /nfs/dbraw/zinc/30/41/99/558304199.db2.gz ARPMGPMADYUZRI-QGZVFWFLSA-N 1 1 408.477 3.028 50 0 HGAAMO COc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](Cc3cccc(C(C)=O)c3)C2)cc1 ZINC000011998269 558307437 /nfs/dbraw/zinc/30/74/37/558307437.db2.gz VNDODSDZKZFFIH-LJQANCHMSA-N 1 1 416.543 3.088 50 0 HGAAMO COc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](Cc3cccc(C(C)=O)c3)C2)cc1 ZINC000011998269 558307441 /nfs/dbraw/zinc/30/74/41/558307441.db2.gz VNDODSDZKZFFIH-LJQANCHMSA-N 1 1 416.543 3.088 50 0 HGAAMO Cc1ncoc1C(=O)N1CCC(CCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000012050631 558313857 /nfs/dbraw/zinc/31/38/57/558313857.db2.gz CNWZWLDSRJOOIX-OAQYLSRUSA-N 1 1 424.545 3.006 50 0 HGAAMO CN(C[C@H]1CCCC[N@H+]1C)C(=O)c1cn(C(c2ccccc2)c2ccccc2)nn1 ZINC000012073657 558318635 /nfs/dbraw/zinc/31/86/35/558318635.db2.gz ALYPXKQQURDNET-OAQYLSRUSA-N 1 1 403.530 3.472 50 0 HGAAMO OCC[C@H]1CN(Cc2c[nH]nc2-c2ccc(F)cc2)CC[N@@H+]1Cc1ccsc1 ZINC000020109958 558335295 /nfs/dbraw/zinc/33/52/95/558335295.db2.gz KTIPLAXMQNQAEB-FQEVSTJZSA-N 1 1 400.523 3.346 50 0 HGAAMO OCC[C@H]1CN(Cc2c[nH]nc2-c2ccc(F)cc2)CC[N@H+]1Cc1ccsc1 ZINC000020109958 558335297 /nfs/dbraw/zinc/33/52/97/558335297.db2.gz KTIPLAXMQNQAEB-FQEVSTJZSA-N 1 1 400.523 3.346 50 0 HGAAMO O=C(NCCCn1ccnc1)[C@H]1CC12CC[NH+](Cc1nc3ccccc3s1)CC2 ZINC000012150170 558338874 /nfs/dbraw/zinc/33/88/74/558338874.db2.gz AIICOOONYDWFFI-QGZVFWFLSA-N 1 1 409.559 3.301 50 0 HGAAMO O=C(Cc1csc(-c2ccccc2F)n1)N1CC[NH+](CCc2ccncc2)CC1 ZINC000020412632 558360911 /nfs/dbraw/zinc/36/09/11/558360911.db2.gz OKOFHLHPAJZRSB-UHFFFAOYSA-N 1 1 410.518 3.274 50 0 HGAAMO CC(C)C[C@@H](NC(=O)c1cccnc1)c1nnc2n1CC[N@H+](Cc1ccsc1)CC2 ZINC000012278813 558364707 /nfs/dbraw/zinc/36/47/07/558364707.db2.gz RSORIAPCDYRQLJ-LJQANCHMSA-N 1 1 424.574 3.310 50 0 HGAAMO COc1ccc2c(c1)C=C(CN1CC[N@@H+](Cc3ccccc3C)[C@@H](CCO)C1)CO2 ZINC000020452806 558367162 /nfs/dbraw/zinc/36/71/62/558367162.db2.gz VOZDFMKRDAILGC-QHCPKHFHSA-N 1 1 408.542 3.348 50 0 HGAAMO CCOC(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3nc(-c4cccs4)no3)CC2)C1 ZINC000012386379 558394974 /nfs/dbraw/zinc/39/49/74/558394974.db2.gz ROWITTYJQSSIAP-OAHLLOKOSA-N 1 1 404.536 3.038 50 0 HGAAMO Cc1cccc(CN2CCC([N@H+]3CCC[C@H](C(=O)NCc4cccnc4)C3)CC2)c1 ZINC000012434861 558408591 /nfs/dbraw/zinc/40/85/91/558408591.db2.gz LARRWWBIHAOMMI-QHCPKHFHSA-N 1 1 406.574 3.383 50 0 HGAAMO COc1cccc(C[N@@H+]2CCN(Cc3cc(Cl)c(O)c(OC)c3)C[C@@H]2CCO)c1 ZINC000020773933 558411496 /nfs/dbraw/zinc/41/14/96/558411496.db2.gz ATLMWHOQTSNIKE-SFHVURJKSA-N 1 1 420.937 3.132 50 0 HGAAMO COc1cccc(C[N@H+]2CCN(Cc3cc(Cl)c(O)c(OC)c3)C[C@@H]2CCO)c1 ZINC000020773933 558411498 /nfs/dbraw/zinc/41/14/98/558411498.db2.gz ATLMWHOQTSNIKE-SFHVURJKSA-N 1 1 420.937 3.132 50 0 HGAAMO CCN1CCN(C[C@H](O)COc2cccc(C[N@H+](C)Cc3ccc(C)cc3)c2)CC1 ZINC000020779185 558412492 /nfs/dbraw/zinc/41/24/92/558412492.db2.gz GBNJHYIUYNAYBF-DEOSSOPVSA-N 1 1 411.590 3.004 50 0 HGAAMO CCN1CCN(C[C@H](O)COc2cccc(C[N@@H+](C)Cc3ccc(C)cc3)c2)CC1 ZINC000020779185 558412493 /nfs/dbraw/zinc/41/24/93/558412493.db2.gz GBNJHYIUYNAYBF-DEOSSOPVSA-N 1 1 411.590 3.004 50 0 HGAAMO COc1ccc(CN(C)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)cc1Cn1cncn1 ZINC000020780930 558412701 /nfs/dbraw/zinc/41/27/01/558412701.db2.gz HECOVNQJWHBSMS-XMMPIXPASA-N 1 1 419.573 3.474 50 0 HGAAMO COc1ccc(C[N@H+](C)[C@@H]2CCCN(CCc3ccccc3)C2)cc1Cn1cncn1 ZINC000020780930 558412703 /nfs/dbraw/zinc/41/27/03/558412703.db2.gz HECOVNQJWHBSMS-XMMPIXPASA-N 1 1 419.573 3.474 50 0 HGAAMO COc1ccc(C[N@@H+](C)[C@@H]2CCCN(CCc3ccccc3)C2)cc1Cn1cncn1 ZINC000020780930 558412707 /nfs/dbraw/zinc/41/27/07/558412707.db2.gz HECOVNQJWHBSMS-XMMPIXPASA-N 1 1 419.573 3.474 50 0 HGAAMO C[C@@H]1CN(C(=O)CCc2nnc(C3(c4ccc(Cl)cc4)CCC3)o2)CC[N@@H+]1C ZINC000020907883 558421369 /nfs/dbraw/zinc/42/13/69/558421369.db2.gz QSTHUHSPOXHHFZ-OAHLLOKOSA-N 1 1 402.926 3.288 50 0 HGAAMO C[C@@H]1CN(C(=O)CCc2nnc(C3(c4ccc(Cl)cc4)CCC3)o2)CC[N@H+]1C ZINC000020907883 558421372 /nfs/dbraw/zinc/42/13/72/558421372.db2.gz QSTHUHSPOXHHFZ-OAHLLOKOSA-N 1 1 402.926 3.288 50 0 HGAAMO Fc1ccccc1N1CCN([C@@H]2CCC[N@@H+](Cc3cccn3-c3ncccn3)C2)CC1 ZINC000020998427 558427500 /nfs/dbraw/zinc/42/75/00/558427500.db2.gz MKCXSDICNCIYER-HXUWFJFHSA-N 1 1 420.536 3.193 50 0 HGAAMO Fc1ccccc1N1CC[NH+]([C@@H]2CCCN(Cc3cccn3-c3ncccn3)C2)CC1 ZINC000020998427 558427505 /nfs/dbraw/zinc/42/75/05/558427505.db2.gz MKCXSDICNCIYER-HXUWFJFHSA-N 1 1 420.536 3.193 50 0 HGAAMO O=C(NC[C@@H]1CCCO1)C1CC[NH+](C2CCN(CCCc3ccccc3)CC2)CC1 ZINC000012587738 558434623 /nfs/dbraw/zinc/43/46/23/558434623.db2.gz PENNIXJORYPNNF-DEOSSOPVSA-N 1 1 413.606 3.091 50 0 HGAAMO CC(C)Cc1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)[nH]c(=O)n1 ZINC000012612409 558438728 /nfs/dbraw/zinc/43/87/28/558438728.db2.gz UAMCZVYTFOXKEW-QGZVFWFLSA-N 1 1 402.926 3.016 50 0 HGAAMO CC(C)Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)[nH]c(=O)n1 ZINC000012612409 558438730 /nfs/dbraw/zinc/43/87/30/558438730.db2.gz UAMCZVYTFOXKEW-QGZVFWFLSA-N 1 1 402.926 3.016 50 0 HGAAMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)Nc1ccc(Br)cc1F ZINC000021822168 558451236 /nfs/dbraw/zinc/45/12/36/558451236.db2.gz JPYKTQXQHNUPHO-UHFFFAOYSA-N 1 1 406.299 3.345 50 0 HGAAMO COc1ccccc1CNCc1ccc(OC[C@H](O)C[N@H+](C)C(C)C)c(OC)c1 ZINC000012750972 558459116 /nfs/dbraw/zinc/45/91/16/558459116.db2.gz ZFRZXFIGUHQHHB-HXUWFJFHSA-N 1 1 402.535 3.074 50 0 HGAAMO COc1ccccc1CNCc1ccc(OC[C@H](O)C[N@@H+](C)C(C)C)c(OC)c1 ZINC000012750972 558459118 /nfs/dbraw/zinc/45/91/18/558459118.db2.gz ZFRZXFIGUHQHHB-HXUWFJFHSA-N 1 1 402.535 3.074 50 0 HGAAMO Cc1cccc(N2CCc3c2nc2ccccc2c3NC(=O)CN2CC[NH+](C)CC2)c1 ZINC000022455022 558490265 /nfs/dbraw/zinc/49/02/65/558490265.db2.gz JTQLUMQVLMHHDX-UHFFFAOYSA-N 1 1 415.541 3.423 50 0 HGAAMO Cn1cccc1[C@H]1CCC[N@H+]1CC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000012985722 558495283 /nfs/dbraw/zinc/49/52/83/558495283.db2.gz HEUBMONCRRCIKJ-OAQYLSRUSA-N 1 1 418.944 3.299 50 0 HGAAMO C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@H+](C)Cc1ccc(Br)cc1 ZINC000012994821 558498156 /nfs/dbraw/zinc/49/81/56/558498156.db2.gz OTYMULXFKMQSNV-LLVKDONJSA-N 1 1 403.280 3.078 50 0 HGAAMO C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@@H+](C)Cc1ccc(Br)cc1 ZINC000012994821 558498158 /nfs/dbraw/zinc/49/81/58/558498158.db2.gz OTYMULXFKMQSNV-LLVKDONJSA-N 1 1 403.280 3.078 50 0 HGAAMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cc3ccccc3cc2NC(=O)C2CC2)C1 ZINC000022693989 558504786 /nfs/dbraw/zinc/50/47/86/558504786.db2.gz AQMJXHSSHATNFY-FQEVSTJZSA-N 1 1 409.530 3.275 50 0 HGAAMO CCc1ccc(NC(=O)[C@@H](C)N2CC[NH+](CCOc3ccc(OC)cc3)CC2)cc1 ZINC000022772797 558509154 /nfs/dbraw/zinc/50/91/54/558509154.db2.gz XXZREPZHVKZYOE-LJQANCHMSA-N 1 1 411.546 3.281 50 0 HGAAMO Cc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1 ZINC000013071320 558511449 /nfs/dbraw/zinc/51/14/49/558511449.db2.gz FMLRSPICFWMISW-QGZVFWFLSA-N 1 1 403.548 3.013 50 0 HGAAMO CCC(CC)[C@H](CNC(=O)c1c[nH]c(=S)n1-c1ccccc1)[NH+]1CCOCC1 ZINC000022898990 558519116 /nfs/dbraw/zinc/51/91/16/558519116.db2.gz OTXBWYZHUGLUEH-SFHVURJKSA-N 1 1 402.564 3.402 50 0 HGAAMO COCC[NH+]1CCN([C@@H](C(=O)Nc2ccc(OC)c(Cl)c2)c2ccccc2)CC1 ZINC000022929756 558523772 /nfs/dbraw/zinc/52/37/72/558523772.db2.gz VZWHDXKVNHHUBS-OAQYLSRUSA-N 1 1 417.937 3.292 50 0 HGAAMO COc1ccc(Cc2noc(CN(C)CC[N@H+]3CCc4ccccc4C3)n2)cc1OC ZINC000022932584 558524895 /nfs/dbraw/zinc/52/48/95/558524895.db2.gz ZBEGEYCCSWGFFZ-UHFFFAOYSA-N 1 1 422.529 3.168 50 0 HGAAMO O=C(CSc1nnc(CCC2CCCC2)[nH]1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000023080921 558533956 /nfs/dbraw/zinc/53/39/56/558533956.db2.gz BJTJTHUFKMANSM-IBGZPJMESA-N 1 1 413.591 3.410 50 0 HGAAMO O=C(CSc1n[nH]c(CCC2CCCC2)n1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000023080921 558533959 /nfs/dbraw/zinc/53/39/59/558533959.db2.gz BJTJTHUFKMANSM-IBGZPJMESA-N 1 1 413.591 3.410 50 0 HGAAMO O=C(CSc1n[nH]c(CCC2CCCC2)n1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000023080921 558533962 /nfs/dbraw/zinc/53/39/62/558533962.db2.gz BJTJTHUFKMANSM-IBGZPJMESA-N 1 1 413.591 3.410 50 0 HGAAMO CCCN1CCC([NH2+][C@@H]2C[C@@H](C(=O)NC(C)C)N(Cc3ccc(Cl)cc3)C2)CC1 ZINC000023362519 558552439 /nfs/dbraw/zinc/55/24/39/558552439.db2.gz VDQNPXNTVSZPJD-YADHBBJMSA-N 1 1 421.029 3.272 50 0 HGAAMO CCC[NH+]1CCC(N[C@@H]2C[C@@H](C(=O)NC(C)C)N(Cc3ccc(Cl)cc3)C2)CC1 ZINC000023362519 558552443 /nfs/dbraw/zinc/55/24/43/558552443.db2.gz VDQNPXNTVSZPJD-YADHBBJMSA-N 1 1 421.029 3.272 50 0 HGAAMO O=C(NCCc1ccccc1)C1CCN(C2CC[NH+](C3CCSCC3)CC2)CC1 ZINC000023367582 558552816 /nfs/dbraw/zinc/55/28/16/558552816.db2.gz HQLLWTKSWOEFJE-UHFFFAOYSA-N 1 1 415.647 3.417 50 0 HGAAMO CC(=O)c1ccc(N2CC[NH+](C[C@H](O)CO[C@@H]3CCCc4ccccc43)CC2)cc1 ZINC000023409374 558557409 /nfs/dbraw/zinc/55/74/09/558557409.db2.gz OGWTUTVQGZESEI-UKILVPOCSA-N 1 1 408.542 3.466 50 0 HGAAMO O=C(CCCNC(=O)c1cc2ccccc2[nH]1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000013683357 558567968 /nfs/dbraw/zinc/56/79/68/558567968.db2.gz AOSLZJUJFVTGBS-UHFFFAOYSA-N 1 1 404.514 3.022 50 0 HGAAMO CN(C)S(=O)(=O)c1ccc(OCC[N@H+]2CCc3sccc3[C@@H]2C2CC2)cc1 ZINC000024768786 558611939 /nfs/dbraw/zinc/61/19/39/558611939.db2.gz YZQWABQKTZHZTO-FQEVSTJZSA-N 1 1 406.573 3.387 50 0 HGAAMO O=C(Nc1ccccc1C(=O)NCC1([NH+]2CCOCC2)CCCCC1)c1ccco1 ZINC000014129298 558623713 /nfs/dbraw/zinc/62/37/13/558623713.db2.gz DXWFKPXSAAPESG-UHFFFAOYSA-N 1 1 411.502 3.297 50 0 HGAAMO O=C(OC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(O)(c1ccccc1)c1ccccc1 ZINC000025572621 558644162 /nfs/dbraw/zinc/64/41/62/558644162.db2.gz VFWVJXBMQLDVMK-DEOSSOPVSA-N 1 1 417.505 3.367 50 0 HGAAMO O=C(OC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(O)(c1ccccc1)c1ccccc1 ZINC000025572621 558644164 /nfs/dbraw/zinc/64/41/64/558644164.db2.gz VFWVJXBMQLDVMK-DEOSSOPVSA-N 1 1 417.505 3.367 50 0 HGAAMO Cc1ccc(CN2C[C@H](C(=O)N3CCC[N@@H+](Cc4ccccc4)CC3)CC2=O)cc1 ZINC000026355984 558659500 /nfs/dbraw/zinc/65/95/00/558659500.db2.gz HJDZEAWDUZZLHN-HSZRJFAPSA-N 1 1 405.542 3.078 50 0 HGAAMO COc1ccccc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000027297474 558671782 /nfs/dbraw/zinc/67/17/82/558671782.db2.gz AUCXXVJASFWDCP-CQSZACIVSA-N 1 1 423.435 3.446 50 0 HGAAMO COc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000027297474 558671785 /nfs/dbraw/zinc/67/17/85/558671785.db2.gz AUCXXVJASFWDCP-CQSZACIVSA-N 1 1 423.435 3.446 50 0 HGAAMO C[N@@H+](CCc1ccccn1)Cc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)c(=O)[nH]1 ZINC000014881579 558676185 /nfs/dbraw/zinc/67/61/85/558676185.db2.gz SBUXMWIIYDWXBD-HSZRJFAPSA-N 1 1 416.525 3.252 50 0 HGAAMO Cc1cc(C)n(CC(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2cccc(F)c2F)C3)n1 ZINC000014955932 558682516 /nfs/dbraw/zinc/68/25/16/558682516.db2.gz NGKRMGFTOMBPNI-QFIPXVFZSA-N 1 1 402.489 3.293 50 0 HGAAMO Cc1cc(C)n(CC(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2cccc(F)c2F)C3)n1 ZINC000014955932 558682520 /nfs/dbraw/zinc/68/25/20/558682520.db2.gz NGKRMGFTOMBPNI-QFIPXVFZSA-N 1 1 402.489 3.293 50 0 HGAAMO COc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(NC(=O)C4CC4)cc3)CC2)cc1 ZINC000027915118 558684704 /nfs/dbraw/zinc/68/47/04/558684704.db2.gz DVBYMCDPCKIAFY-UHFFFAOYSA-N 1 1 407.514 3.392 50 0 HGAAMO COc1ccc([C@H](CNS(=O)(=O)c2cccc3cccnc32)[NH+]2CCCC2)cc1 ZINC000028249275 558693484 /nfs/dbraw/zinc/69/34/84/558693484.db2.gz HIVUQFBJHZMBIR-FQEVSTJZSA-N 1 1 411.527 3.359 50 0 HGAAMO C[N@@H+](CCC(=O)NCc1ccccc1Cl)Cc1ccccc1N1CCOCC1 ZINC000028901075 558706943 /nfs/dbraw/zinc/70/69/43/558706943.db2.gz OCCOHNISFUWTPO-UHFFFAOYSA-N 1 1 401.938 3.315 50 0 HGAAMO C[N@@H+]1CCN(C(=O)C2CCN(C(=O)Nc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000030029430 558726372 /nfs/dbraw/zinc/72/63/72/558726372.db2.gz MCYJHNHZJONTJI-JOCHJYFZSA-N 1 1 406.530 3.446 50 0 HGAAMO C[N@H+]1CCN(C(=O)C2CCN(C(=O)Nc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000030029430 558726375 /nfs/dbraw/zinc/72/63/75/558726375.db2.gz MCYJHNHZJONTJI-JOCHJYFZSA-N 1 1 406.530 3.446 50 0 HGAAMO O=C(NC1(c2ccc(Br)cc2)CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000072294646 558743957 /nfs/dbraw/zinc/74/39/57/558743957.db2.gz DGYBLYHWXUBKOE-LJQANCHMSA-N 1 1 415.331 3.455 50 0 HGAAMO O=C(NC1(c2ccc(Br)cc2)CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000072294646 558743960 /nfs/dbraw/zinc/74/39/60/558743960.db2.gz DGYBLYHWXUBKOE-LJQANCHMSA-N 1 1 415.331 3.455 50 0 HGAAMO COc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](C(=O)NC4CCCC4)C3)n2)cc1OC ZINC000015726133 558750868 /nfs/dbraw/zinc/75/08/68/558750868.db2.gz REUPICHBWIAFOL-MRXNPFEDSA-N 1 1 414.506 3.025 50 0 HGAAMO COc1ccc(-c2noc(C[N@H+]3CCC[C@@H](C(=O)NC4CCCC4)C3)n2)cc1OC ZINC000015726133 558750872 /nfs/dbraw/zinc/75/08/72/558750872.db2.gz REUPICHBWIAFOL-MRXNPFEDSA-N 1 1 414.506 3.025 50 0 HGAAMO CC1(C)C(=O)N(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)C1(C)C ZINC000072301671 558751850 /nfs/dbraw/zinc/75/18/50/558751850.db2.gz PBLKIXCIXGLZQT-CYBMUJFWSA-N 1 1 423.355 3.099 50 0 HGAAMO COC[C@@H](C)[NH+]1CCN(CC(=O)c2cc(C)n(CCc3cccs3)c2C)CC1 ZINC000072308090 558767945 /nfs/dbraw/zinc/76/79/45/558767945.db2.gz SLJIXLIQBKHWPO-GOSISDBHSA-N 1 1 403.592 3.244 50 0 HGAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)NCCc1c[nH]c2ccccc12 ZINC000016695538 558801053 /nfs/dbraw/zinc/80/10/53/558801053.db2.gz NULPNNGKLGLRIH-KRWDZBQOSA-N 1 1 402.502 3.100 50 0 HGAAMO COc1ccc(-n2ccnc2CN2CC[N@@H+](CC3CCCCC3)[C@H](CCO)C2)cc1 ZINC000039412618 558821035 /nfs/dbraw/zinc/82/10/35/558821035.db2.gz BTKUCLKVOZMAQD-JOCHJYFZSA-N 1 1 412.578 3.330 50 0 HGAAMO O=C(C[C@@H]1C(=O)NCC[N@@H+]1CC(c1ccccc1)c1ccccc1)N1CCCCC1 ZINC000039516209 558822021 /nfs/dbraw/zinc/82/20/21/558822021.db2.gz KGEGJFHITSQGAK-HSZRJFAPSA-N 1 1 405.542 3.022 50 0 HGAAMO C[C@H](CNC(=O)CC[N@H+]1Cc2cc(Cl)ccc2O[C@@H](C)C1)Oc1cccnc1 ZINC000039543608 558822171 /nfs/dbraw/zinc/82/21/71/558822171.db2.gz LCJJXAOQEGOAQA-CVEARBPZSA-N 1 1 403.910 3.292 50 0 HGAAMO C[C@H](CNC(=O)CC[N@@H+]1Cc2cc(Cl)ccc2O[C@@H](C)C1)Oc1cccnc1 ZINC000039543608 558822173 /nfs/dbraw/zinc/82/21/73/558822173.db2.gz LCJJXAOQEGOAQA-CVEARBPZSA-N 1 1 403.910 3.292 50 0 HGAAMO COc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C)C4)cc1Br ZINC000004592671 558830580 /nfs/dbraw/zinc/83/05/80/558830580.db2.gz IGLCTQAVFAQXMK-OAHLLOKOSA-N 1 1 408.321 3.361 50 0 HGAAMO COc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C)C4)cc1Br ZINC000004592671 558830582 /nfs/dbraw/zinc/83/05/82/558830582.db2.gz IGLCTQAVFAQXMK-OAHLLOKOSA-N 1 1 408.321 3.361 50 0 HGAAMO CC[N@@H+]1CCC[C@H]1CNC(=O)CCCCCn1c(=O)c2ccccc2[nH]c1=S ZINC000004598962 558834854 /nfs/dbraw/zinc/83/48/54/558834854.db2.gz YBDRFGGSSAHIEP-INIZCTEOSA-N 1 1 402.564 3.220 50 0 HGAAMO CC[N@H+]1CCC[C@H]1CNC(=O)CCCCCn1c(=O)c2ccccc2[nH]c1=S ZINC000004598962 558834855 /nfs/dbraw/zinc/83/48/55/558834855.db2.gz YBDRFGGSSAHIEP-INIZCTEOSA-N 1 1 402.564 3.220 50 0 HGAAMO CCOC(=O)Nc1ccc2c(c1)N(C(=O)CN1CC[NH+](C)CC1)c1ccccc1CC2 ZINC000019338306 558870602 /nfs/dbraw/zinc/87/06/02/558870602.db2.gz DIZVYONZLVBESK-UHFFFAOYSA-N 1 1 422.529 3.266 50 0 biogenic HGAAMO CC(C)c1cc(C(=O)N2CCC[C@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2)n(C)n1 ZINC000055098981 558872066 /nfs/dbraw/zinc/87/20/66/558872066.db2.gz XRUCTEANALRKNZ-FQEVSTJZSA-N 1 1 413.541 3.109 50 0 HGAAMO C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@H+]1CCC[C@H](C(=O)N(C)C)C1 ZINC000058215696 558912399 /nfs/dbraw/zinc/91/23/99/558912399.db2.gz FPJRZUDGFHBPHE-QUCCMNQESA-N 1 1 409.530 3.393 50 0 HGAAMO NC(=O)CC[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000058341304 558920391 /nfs/dbraw/zinc/92/03/91/558920391.db2.gz YRZYYRSCGHTADK-HNNXBMFYSA-N 1 1 403.910 3.194 50 0 HGAAMO NC(=O)CC[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000058341304 558920393 /nfs/dbraw/zinc/92/03/93/558920393.db2.gz YRZYYRSCGHTADK-HNNXBMFYSA-N 1 1 403.910 3.194 50 0 HGAAMO Cc1ncn(-c2cc(N3CCN(C(=O)c4cccc(Cl)c4)CC3)[nH+]c(C)n2)c1C ZINC000072117617 558927504 /nfs/dbraw/zinc/92/75/04/558927504.db2.gz QQXULNYVNZLYRQ-UHFFFAOYSA-N 1 1 410.909 3.203 50 0 HGAAMO CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000059034317 558931717 /nfs/dbraw/zinc/93/17/17/558931717.db2.gz OILRTBMVADRRNR-UHFFFAOYSA-N 1 1 415.456 3.378 50 0 HGAAMO COc1ncccc1C(=O)N1CCC[C@H]([NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000061969758 558947397 /nfs/dbraw/zinc/94/73/97/558947397.db2.gz CAHVRGSXDWHWQZ-IBGZPJMESA-N 1 1 414.937 3.170 50 0 HGAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)c2nnc(C(=O)Nc3cccc(Cl)c3)s2)C1 ZINC000033060353 558954906 /nfs/dbraw/zinc/95/49/06/558954906.db2.gz GKHKXELTXKCWKV-ZDUSSCGKSA-N 1 1 421.954 3.296 50 0 HGAAMO COc1cccc(-c2nc3cc4c(cc3cc2C[N@H+]2CC=C[C@H]2CO)OCO4)c1OC ZINC000072419374 558978476 /nfs/dbraw/zinc/97/84/76/558978476.db2.gz VNFZBKKLWVMUMF-KRWDZBQOSA-N 1 1 420.465 3.380 50 0 HGAAMO CC[N@H+]1CCCN(c2ccc(C(=O)N3CCC[C@H](C(=O)CC(C)C)C3)cn2)CC1 ZINC000067787597 558992867 /nfs/dbraw/zinc/99/28/67/558992867.db2.gz GKVPFXJJXRHYEN-FQEVSTJZSA-N 1 1 400.567 3.081 50 0 HGAAMO Cc1cc(CN(C)C(=O)c2cc(C[NH+]3CCC(Cc4ccccc4)CC3)on2)[nH]n1 ZINC000067847845 558993859 /nfs/dbraw/zinc/99/38/59/558993859.db2.gz RCMOIOPCQBHZGK-UHFFFAOYSA-N 1 1 407.518 3.433 50 0 HGAAMO Cc1cc(CN(C)C(=O)c2cc(C[NH+]3CCC(Cc4ccccc4)CC3)on2)n[nH]1 ZINC000067847845 558993864 /nfs/dbraw/zinc/99/38/64/558993864.db2.gz RCMOIOPCQBHZGK-UHFFFAOYSA-N 1 1 407.518 3.433 50 0 HGAAMO Cc1nn(C)c(C)c1C[N@H+](Cc1cn(C)nc1-c1ccc2c(c1)OCCO2)C1CC1 ZINC000076981659 558998800 /nfs/dbraw/zinc/99/88/00/558998800.db2.gz JGIVVMCYZUIUIU-UHFFFAOYSA-N 1 1 407.518 3.373 50 0 HGAAMO C[NH+]1CCN(c2nc3ccc(NC(=O)c4ccc5c(c4)OCCO5)cc3s2)CC1 ZINC000023135841 559018715 /nfs/dbraw/zinc/01/87/15/559018715.db2.gz SZNVXKXPUUISKF-UHFFFAOYSA-N 1 1 410.499 3.072 50 0 HGAAMO COc1cc(/C=C/C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1OC(C)C ZINC000023181390 559031384 /nfs/dbraw/zinc/03/13/84/559031384.db2.gz FTURNMGDEIBBGQ-BOWPASAUSA-N 1 1 404.551 3.500 50 0 HGAAMO Cc1ccc(CNC(=O)[C@H]2CCC[N@H+](C3CCN(Cc4ccncc4)CC3)C2)cc1 ZINC000082096598 559037372 /nfs/dbraw/zinc/03/73/72/559037372.db2.gz QEQPRLLDVFJZPS-QHCPKHFHSA-N 1 1 406.574 3.383 50 0 HGAAMO Cc1ccc(CN2CCC([N@H+]3CCC[C@@H](C(=O)NCc4cccnc4)C3)CC2)cc1 ZINC000082100115 559038150 /nfs/dbraw/zinc/03/81/50/559038150.db2.gz VEQLLUODZHOGEH-HSZRJFAPSA-N 1 1 406.574 3.383 50 0 HGAAMO O=C(NCC(F)(F)F)C1CC[NH+](C2CCN(CCCc3ccccc3)CC2)CC1 ZINC000082107304 559038447 /nfs/dbraw/zinc/03/84/47/559038447.db2.gz FLYNQUNCZSCQRF-UHFFFAOYSA-N 1 1 411.512 3.474 50 0 HGAAMO O=C([C@@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1)N1Cc2ccccc2C1 ZINC000082109679 559038819 /nfs/dbraw/zinc/03/88/19/559038819.db2.gz YDHKVHAIYBGNIQ-HSZRJFAPSA-N 1 1 404.558 3.300 50 0 HGAAMO O=C(NCc1ccccn1)[C@H]1CCC[N@H+](C2CCN(c3ccc(Cl)cn3)CC2)C1 ZINC000082125217 559039653 /nfs/dbraw/zinc/03/96/53/559039653.db2.gz HETIMUFTBJGBDN-KRWDZBQOSA-N 1 1 413.953 3.127 50 0 HGAAMO O=C(NCC(F)(F)F)[C@H]1CCC[N@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000082121947 559039684 /nfs/dbraw/zinc/03/96/84/559039684.db2.gz UBKMIUNJMPLJKD-AWEZNQCLSA-N 1 1 410.440 3.187 50 0 HGAAMO O=C(NCc1cccnc1)[C@H]1CCC[N@H+](C2CCN(Cc3cccc(F)c3)CC2)C1 ZINC000082128710 559040015 /nfs/dbraw/zinc/04/00/15/559040015.db2.gz ORLQQHXUGLFOET-NRFANRHFSA-N 1 1 410.537 3.214 50 0 HGAAMO Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+](C3CCN(Cc4cccnc4)CC3)C2)s1 ZINC000082138671 559040682 /nfs/dbraw/zinc/04/06/82/559040682.db2.gz SOZGQLOPLITNDD-HXUWFJFHSA-N 1 1 412.603 3.444 50 0 HGAAMO Cc1ccc(CCNC(=O)[C@H]2CCC[N@H+](C3CCN(Cc4ccncc4)CC3)C2)o1 ZINC000082138709 559040693 /nfs/dbraw/zinc/04/06/93/559040693.db2.gz HKMGSKQSHLGATB-NRFANRHFSA-N 1 1 410.562 3.018 50 0 HGAAMO Cc1ccc(NC(=O)COc2ccc(Br)cc2CNCC[NH+](C)C)cc1 ZINC000095326494 559079537 /nfs/dbraw/zinc/07/95/37/559079537.db2.gz WQTMCGIKFUJRBT-UHFFFAOYSA-N 1 1 420.351 3.426 50 0 HGAAMO O=C(c1cnc[nH]1)N(C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000095502297 559082613 /nfs/dbraw/zinc/08/26/13/559082613.db2.gz OHSVOMWBJGWQGX-IBGZPJMESA-N 1 1 400.498 3.082 50 0 HGAAMO COCc1ccc(C(=O)N2CCC3(CC2)c2[nH]cnc2CC[N@@H+]3CC(C)C)s1 ZINC000095516431 559084406 /nfs/dbraw/zinc/08/44/06/559084406.db2.gz QICNHRDGJAFCIK-UHFFFAOYSA-N 1 1 402.564 3.263 50 0 HGAAMO CN(C[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1)C(=O)CCc1ccnn1C ZINC000095516962 559084542 /nfs/dbraw/zinc/08/45/42/559084542.db2.gz GMQOQJUHYUVGMA-IBGZPJMESA-N 1 1 402.970 3.419 50 0 HGAAMO O=C(c1ccn[nH]1)N(C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000095519458 559084968 /nfs/dbraw/zinc/08/49/68/559084968.db2.gz ZOQNVKDNYBFIPM-IBGZPJMESA-N 1 1 400.498 3.082 50 0 HGAAMO O=C1C[C@H](N2CC[NH+](Cc3ccccc3)CC2)C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000101163502 559143745 /nfs/dbraw/zinc/14/37/45/559143745.db2.gz VAIQUKRVLODDEG-IBGZPJMESA-N 1 1 417.431 3.155 50 0 HGAAMO CN(Cc1cccc(O)c1)C(=O)N[C@@H](C[N@H+](C)C1CCN(C)CC1)c1ccccc1 ZINC000050135139 559179318 /nfs/dbraw/zinc/17/93/18/559179318.db2.gz KYQZYZJAIAKRQN-QHCPKHFHSA-N 1 1 410.562 3.301 50 0 HGAAMO CN(Cc1cccc(O)c1)C(=O)N[C@@H](C[N@@H+](C)C1CCN(C)CC1)c1ccccc1 ZINC000050135139 559179320 /nfs/dbraw/zinc/17/93/20/559179320.db2.gz KYQZYZJAIAKRQN-QHCPKHFHSA-N 1 1 410.562 3.301 50 0 HGAAMO CCOC(=O)C1=C(C[N@H+]2CCCC[C@@H]2C)N(CC)C(=O)N[C@@H]1c1cccc(OC)c1 ZINC000035991347 559190246 /nfs/dbraw/zinc/19/02/46/559190246.db2.gz HBNKXLQEHLNBGD-HRAATJIYSA-N 1 1 415.534 3.473 50 0 HGAAMO CC1=C2C[C@H]3[C@H](C[NH+]4CCN(C(=O)c5ccco5)CC4)C(=O)O[C@H]3C[C@@]2(C)CCC1 ZINC000248339896 559271145 /nfs/dbraw/zinc/27/11/45/559271145.db2.gz UFAAOAUAAMIQQW-MWRIXTAVSA-N 1 1 412.530 3.496 50 0 HGAAMO CC[N@H+]1CCC[C@H](NC(=O)c2nc3nc(-c4ccccc4)cc(C(F)(F)F)n3n2)C1 ZINC000005509796 560600931 /nfs/dbraw/zinc/60/09/31/560600931.db2.gz FYZKAUFDLDIJRM-AWEZNQCLSA-N 1 1 418.423 3.024 50 0 HGAAMO O=C1Nc2ccccc2[C@@]12[C@@H]1C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000018096316 560775434 /nfs/dbraw/zinc/77/54/34/560775434.db2.gz MKPIBSLBSTYPPT-IMIIHFCZSA-N 1 1 423.472 3.271 50 0 HGAAMO O=c1cc(C[N@@H+]2CCc3ccccc3C2)nc2[nH]c(NCc3ccccc3Cl)nn21 ZINC000101796192 560801519 /nfs/dbraw/zinc/80/15/19/560801519.db2.gz MJWWWAWCISWZGT-UHFFFAOYSA-N 1 1 420.904 3.241 50 0 HGAAMO O=c1cc(C[N@H+]2CCc3ccccc3C2)nc2[nH]c(NCc3ccccc3Cl)nn21 ZINC000101796192 560801521 /nfs/dbraw/zinc/80/15/21/560801521.db2.gz MJWWWAWCISWZGT-UHFFFAOYSA-N 1 1 420.904 3.241 50 0 HGAAMO C[C@@H]1[C@H]2CC[C@@]3(O)[C@@H]4C[C@H](O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4C[C@H]3[C@@H]2C[N@H+]2CCCC[C@@H]12 ZINC000103565464 560843317 /nfs/dbraw/zinc/84/33/17/560843317.db2.gz LENMDDFRAPDCRB-LHSSOLKLSA-N 1 1 417.634 3.432 50 0 HGAAMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(Br)s1)c1cccc(F)c1 ZINC000047032805 560879900 /nfs/dbraw/zinc/87/99/00/560879900.db2.gz PONZQJLXKHCDRY-LBPRGKRZSA-N 1 1 407.330 3.231 50 0 HGAAMO CCC[N@@H+](Cc1cc(OC)c(OC)c(OC)c1)Cc1cc(=O)n2ccc(C)cc2n1 ZINC000045974097 568422822 /nfs/dbraw/zinc/42/28/22/568422822.db2.gz VYVXRPFJNCXTPN-UHFFFAOYSA-N 1 1 411.502 3.441 50 0 HGAAMO COc1ccc(C[N@H+](C)Cc2cc(=O)n3nc(-c4ccccc4)sc3n2)cc1OC ZINC000046032376 568424770 /nfs/dbraw/zinc/42/47/70/568424770.db2.gz CAWAUEXQMFFQJN-UHFFFAOYSA-N 1 1 422.510 3.467 50 0 HGAAMO COc1ccc(C[N@@H+](C)Cc2cc(=O)n3nc(-c4ccccc4)sc3n2)cc1OC ZINC000046032376 568424771 /nfs/dbraw/zinc/42/47/71/568424771.db2.gz CAWAUEXQMFFQJN-UHFFFAOYSA-N 1 1 422.510 3.467 50 0 HGAAMO C[N@@H+](CCCNC(=O)c1cc(=O)n2c3ccccc3nc2s1)Cc1ccccc1 ZINC000033008845 568510315 /nfs/dbraw/zinc/51/03/15/568510315.db2.gz QTRBFWITKRRHIG-UHFFFAOYSA-N 1 1 406.511 3.161 50 0 HGAAMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1cc(F)ccc1Br ZINC000024178470 568510871 /nfs/dbraw/zinc/51/08/71/568510871.db2.gz XYMWTOUGYQDSJQ-UHFFFAOYSA-N 1 1 407.283 3.350 50 0 HGAAMO C=CC(=O)NCc1ccc(C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2ccc(OC)cc2)cc1 ZINC000261489596 568512973 /nfs/dbraw/zinc/51/29/73/568512973.db2.gz YPZMULKUINXMRG-QPPBQGQZSA-N 1 1 421.541 3.310 50 0 HGAAMO COc1cc(CCC(=O)C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)ccc1O ZINC000020111800 568588782 /nfs/dbraw/zinc/58/87/82/568588782.db2.gz UYUWUIMYTRYHCC-KRWDZBQOSA-N 1 1 413.470 3.259 50 0 biogenic HGAAMO COc1cc(CCC(=O)C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)ccc1O ZINC000020111800 568588783 /nfs/dbraw/zinc/58/87/83/568588783.db2.gz UYUWUIMYTRYHCC-KRWDZBQOSA-N 1 1 413.470 3.259 50 0 biogenic HGAAMO CNC(=O)[C@@H]1CCCN1C(=O)Nc1ccc(C[N@@H+](C[C@@H]2CCCCO2)C(C)C)cc1 ZINC000095460783 568620448 /nfs/dbraw/zinc/62/04/48/568620448.db2.gz RTIZAPRRXLLGSQ-SFTDATJTSA-N 1 1 416.566 3.208 50 0 HGAAMO Cc1oc2ccn(Cc3ccc(F)cc3)c(=O)c2c1C(=O)N1CC[NH+](C(C)C)CC1 ZINC000096396477 568694389 /nfs/dbraw/zinc/69/43/89/568694389.db2.gz YBABWWRWOPMJFU-UHFFFAOYSA-N 1 1 411.477 3.257 50 0 HGAAMO O=C(NCCC[NH+]1CCOCC1)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1 ZINC000024986801 568710665 /nfs/dbraw/zinc/71/06/65/568710665.db2.gz ATEWMLIXFRAERC-UHFFFAOYSA-N 1 1 414.893 3.238 50 0 HGAAMO C[N@@H+](CCCNC(=O)c1ccc2c(c1)NC(=O)[C@H]1CCCCN21)Cc1ccccc1 ZINC000021647085 568728148 /nfs/dbraw/zinc/72/81/48/568728148.db2.gz LMSMFUWRRRGJAP-JOCHJYFZSA-N 1 1 406.530 3.250 50 0 HGAAMO CCc1cc(CCC[NH+]2CCN(Cc3nc(-c4ccc(OC)cc4)no3)CC2)on1 ZINC000242292555 568732497 /nfs/dbraw/zinc/73/24/97/568732497.db2.gz YNFOLVLIKDFCKT-UHFFFAOYSA-N 1 1 411.506 3.046 50 0 HGAAMO CCc1cc(=O)oc2c(C)c(OCC(=O)NC[C@H]3CCC[N@H+]4CCCC[C@H]34)ccc12 ZINC000096343550 568736987 /nfs/dbraw/zinc/73/69/87/568736987.db2.gz SCXLHWYZRLQMFM-UYAOXDASSA-N 1 1 412.530 3.423 50 0 HGAAMO CC[NH+]1CCN([C@@H](c2cccs2)[C@@H](C)NS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000022460423 568768433 /nfs/dbraw/zinc/76/84/33/568768433.db2.gz MWEJUUKVXXTAEO-YLJYHZDGSA-N 1 1 407.605 3.102 50 0 HGAAMO C[C@@H]1CCCN(S(=O)(=O)NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)C1 ZINC000056124618 568786552 /nfs/dbraw/zinc/78/65/52/568786552.db2.gz SPMJJODZROVYCG-OAHLLOKOSA-N 1 1 419.513 3.236 50 0 HGAAMO CC[C@@H](c1nnc(SCC(=O)NCC(F)(F)F)n1-c1ccccc1)[NH+](C)C ZINC000002726061 568803997 /nfs/dbraw/zinc/80/39/97/568803997.db2.gz UXNVGCPERNSBJZ-ZDUSSCGKSA-N 1 1 401.458 3.051 50 0 HGAAMO COc1cccc(N2CC[N@H+](CC(=O)N3CCc4[nH]c5ccccc5c4C3)C[C@@H]2C)c1 ZINC000057054223 568823670 /nfs/dbraw/zinc/82/36/70/568823670.db2.gz UZNWOOZQQLYNAH-SFHVURJKSA-N 1 1 418.541 3.272 50 0 HGAAMO COc1cccc(N2CC[N@@H+](CC(=O)N3CCc4[nH]c5ccccc5c4C3)C[C@@H]2C)c1 ZINC000057054223 568823671 /nfs/dbraw/zinc/82/36/71/568823671.db2.gz UZNWOOZQQLYNAH-SFHVURJKSA-N 1 1 418.541 3.272 50 0 HGAAMO Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2N2CCOCC2)c(C)c1 ZINC000029404073 568825014 /nfs/dbraw/zinc/82/50/14/568825014.db2.gz OVCRMZKVVIWYRB-IBGZPJMESA-N 1 1 424.545 3.309 50 0 HGAAMO Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2N2CCOCC2)c(C)c1 ZINC000029404073 568825015 /nfs/dbraw/zinc/82/50/15/568825015.db2.gz OVCRMZKVVIWYRB-IBGZPJMESA-N 1 1 424.545 3.309 50 0 HGAAMO C[N@@H+](CCNC(=O)CCn1nc(-c2ccc(Cl)cc2)ccc1=O)Cc1ccccc1 ZINC000003010132 568837593 /nfs/dbraw/zinc/83/75/93/568837593.db2.gz RSCUFRMSOHVKDA-UHFFFAOYSA-N 1 1 424.932 3.202 50 0 HGAAMO COc1ccc(OCC[NH+]2CCN(c3nn4cc(C(C)(C)C)nc4s3)CC2)cc1 ZINC000012520572 568841358 /nfs/dbraw/zinc/84/13/58/568841358.db2.gz VGBPYVSGWJCYPU-UHFFFAOYSA-N 1 1 415.563 3.298 50 0 HGAAMO Cc1c2ccccc2oc1C(=O)OCC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000012582709 568865135 /nfs/dbraw/zinc/86/51/35/568865135.db2.gz XBMVXMMIAIFHPK-UHFFFAOYSA-N 1 1 414.502 3.049 50 0 HGAAMO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1C)c1ccco1 ZINC000057997193 568873358 /nfs/dbraw/zinc/87/33/58/568873358.db2.gz APABDUIOSONVQI-SFHVURJKSA-N 1 1 419.547 3.076 50 0 HGAAMO CCOc1ccc(S(=O)(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)c2ccccc12 ZINC000058007307 568874912 /nfs/dbraw/zinc/87/49/12/568874912.db2.gz MILOXKLTTKLXKI-SFHVURJKSA-N 1 1 418.559 3.114 50 0 HGAAMO CCOc1ccc(S(=O)(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)c2ccccc12 ZINC000058007307 568874915 /nfs/dbraw/zinc/87/49/15/568874915.db2.gz MILOXKLTTKLXKI-SFHVURJKSA-N 1 1 418.559 3.114 50 0 HGAAMO Cc1ccc(NCCCNC(=O)c2ccc3c(c2)[nH]c(=O)n3[C@H]2CC[C@H](O)CC2)[nH+]c1 ZINC000670440235 568892227 /nfs/dbraw/zinc/89/22/27/568892227.db2.gz JYGDSOWMVUKEBR-IYARVYRRSA-N 1 1 423.517 3.153 50 0 HGAAMO COc1ccccc1C[NH2+]CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000058158131 568893801 /nfs/dbraw/zinc/89/38/01/568893801.db2.gz KPUZKCXDDUMHCP-UHFFFAOYSA-N 1 1 423.435 3.279 50 0 HGAAMO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000012743719 568930155 /nfs/dbraw/zinc/93/01/55/568930155.db2.gz XISUZNQPSCVJFF-ZDUSSCGKSA-N 1 1 403.429 3.348 50 0 HGAAMO Cc1cc(-c2cc(S(=O)(=O)NCCCn3cc[nH+]c3C(C)C)c(C)s2)n[nH]1 ZINC000670458867 568946734 /nfs/dbraw/zinc/94/67/34/568946734.db2.gz FLRUSPCNSDKVOU-UHFFFAOYSA-N 1 1 407.565 3.444 50 0 HGAAMO O=C(NC[C@H]1CCC[N@@H+](CCc2ccccc2)C1)C1(N2CCOCC2)CCCCC1 ZINC000670459290 568947327 /nfs/dbraw/zinc/94/73/27/568947327.db2.gz SFCQDOPPICWZEC-HSZRJFAPSA-N 1 1 413.606 3.092 50 0 HGAAMO O=C(c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000004199801 568951250 /nfs/dbraw/zinc/95/12/50/568951250.db2.gz DKBNJAUUKBWPGF-HNNXBMFYSA-N 1 1 415.419 3.335 50 0 HGAAMO CCC(CC)(C[NH2+]Cc1nc(-c2ccc(OC(F)F)c(OC)c2)no1)C(=O)OC ZINC000084727279 568957250 /nfs/dbraw/zinc/95/72/50/568957250.db2.gz WUEHUCYFDHUYHB-UHFFFAOYSA-N 1 1 413.421 3.416 50 0 HGAAMO CCC[C@H]1CN(CC(=O)N(C(C)C)C(C)C)CC[N@@H+]1CC(=O)N(C(C)C)C(C)C ZINC000084740840 568957959 /nfs/dbraw/zinc/95/79/59/568957959.db2.gz JOTZXNFHNLYHPD-NRFANRHFSA-N 1 1 410.647 3.064 50 0 HGAAMO CCC[C@H]1CN(CC(=O)N(C(C)C)C(C)C)CC[N@H+]1CC(=O)N(C(C)C)C(C)C ZINC000084740840 568957960 /nfs/dbraw/zinc/95/79/60/568957960.db2.gz JOTZXNFHNLYHPD-NRFANRHFSA-N 1 1 410.647 3.064 50 0 HGAAMO C[N@@H+](CC(=O)NCC(=O)Nc1ccc(F)c(F)c1F)[C@H]1CCCc2ccccc21 ZINC000007988708 568965948 /nfs/dbraw/zinc/96/59/48/568965948.db2.gz HCVGNTXMOZHHAD-KRWDZBQOSA-N 1 1 405.420 3.168 50 0 HGAAMO O=C(C[N@H+]1CCC[C@@H]2CCCC[C@@H]21)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000008156372 568977969 /nfs/dbraw/zinc/97/79/69/568977969.db2.gz ZQZFAMGYCSJFQO-PXNSSMCTSA-N 1 1 405.564 3.064 50 0 HGAAMO C[N@H+](CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccc2ccccc2c1 ZINC000008231734 568984306 /nfs/dbraw/zinc/98/43/06/568984306.db2.gz CWZUTPKJGFDAST-UHFFFAOYSA-N 1 1 405.454 3.391 50 0 HGAAMO C[N@@H+](CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccc2ccccc2c1 ZINC000008231734 568984308 /nfs/dbraw/zinc/98/43/08/568984308.db2.gz CWZUTPKJGFDAST-UHFFFAOYSA-N 1 1 405.454 3.391 50 0 HGAAMO Cc1ccccc1C[NH+]1CCN(C(=O)CN2CCC(C(=O)c3ccccc3)CC2)CC1 ZINC000012818174 568990471 /nfs/dbraw/zinc/99/04/71/568990471.db2.gz FAMWOHQRYXVQIQ-UHFFFAOYSA-N 1 1 419.569 3.234 50 0 HGAAMO CCOc1ccccc1C[N@@H+]1CCN(Cc2cc(OC)ccc2OC)C[C@H]1CCO ZINC000104369442 569008446 /nfs/dbraw/zinc/00/84/46/569008446.db2.gz LRFMMEMNOXFXTJ-OAQYLSRUSA-N 1 1 414.546 3.171 50 0 HGAAMO CCOc1ccccc1C[N@H+]1CCN(Cc2cc(OC)ccc2OC)C[C@H]1CCO ZINC000104369442 569008447 /nfs/dbraw/zinc/00/84/47/569008447.db2.gz LRFMMEMNOXFXTJ-OAQYLSRUSA-N 1 1 414.546 3.171 50 0 HGAAMO COc1ccc(C[N@H+]2CCN(Cc3nc4ccccc4[nH]3)C[C@H]2CCO)c(C)c1C ZINC000104512343 569008873 /nfs/dbraw/zinc/00/88/73/569008873.db2.gz OWJFQUKPIKRMDK-HXUWFJFHSA-N 1 1 408.546 3.257 50 0 HGAAMO COc1cccc(C[N@@H+](C[C@H](O)COC(C)C)C[C@H]2CC(c3ccccc3)=NO2)c1 ZINC000104983784 569009783 /nfs/dbraw/zinc/00/97/83/569009783.db2.gz YFXVDJMYIPCDOF-JTHBVZDNSA-N 1 1 412.530 3.476 50 0 HGAAMO C[C@@H](NC(=O)Cc1cccc2ccccc21)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012911157 569021980 /nfs/dbraw/zinc/02/19/80/569021980.db2.gz VYPXAWNMLXUKFI-HXUWFJFHSA-N 1 1 415.537 3.231 50 0 HGAAMO Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@@H+](C)Cc2ccc3ccccc3c2)c1C ZINC000012927132 569023880 /nfs/dbraw/zinc/02/38/80/569023880.db2.gz GJAJTNNVPSRAFA-UHFFFAOYSA-N 1 1 411.527 3.175 50 0 HGAAMO Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@H+](C)Cc2ccc3ccccc3c2)c1C ZINC000012927132 569023881 /nfs/dbraw/zinc/02/38/81/569023881.db2.gz GJAJTNNVPSRAFA-UHFFFAOYSA-N 1 1 411.527 3.175 50 0 HGAAMO C[C@@H]1CN(C(=O)CCC(=O)NCCC[N@@H+]2[C@H](C)CCC[C@@H]2C)c2ccccc2O1 ZINC000015942049 569024197 /nfs/dbraw/zinc/02/41/97/569024197.db2.gz YTEQOHXBFOSWQV-CEXWTWQISA-N 1 1 401.551 3.350 50 0 HGAAMO CC(C)NC(=O)C[N@H+]1CCCN(c2nc(-c3ccsc3)nc3ccccc32)CC1 ZINC000012929832 569024434 /nfs/dbraw/zinc/02/44/34/569024434.db2.gz KDGOBDQNNODMBN-UHFFFAOYSA-N 1 1 409.559 3.395 50 0 HGAAMO Cc1ccccc1CNC(=O)C[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000012987550 569047539 /nfs/dbraw/zinc/04/75/39/569047539.db2.gz OFIOTIOLOZHPNR-UHFFFAOYSA-N 1 1 406.452 3.237 50 0 HGAAMO Cc1ccccc1CNC(=O)C[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000012987550 569047540 /nfs/dbraw/zinc/04/75/40/569047540.db2.gz OFIOTIOLOZHPNR-UHFFFAOYSA-N 1 1 406.452 3.237 50 0 HGAAMO COc1ccc(CCNC(=O)[C@@H](C)[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1 ZINC000027573455 569052142 /nfs/dbraw/zinc/05/21/42/569052142.db2.gz ZATLQMOVZNBWCC-UYAOXDASSA-N 1 1 409.530 3.093 50 0 HGAAMO COc1cc(C(=O)N2CC[NH+](Cc3c[nH]c4ccccc34)CC2)cc(OC)c1OC ZINC000054992094 569053633 /nfs/dbraw/zinc/05/36/33/569053633.db2.gz FBAIWUFOUWHOSJ-UHFFFAOYSA-N 1 1 409.486 3.152 50 0 biogenic HGAAMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@H]2CCCN(c3cnccn3)C2)C1 ZINC000242140858 569054990 /nfs/dbraw/zinc/05/49/90/569054990.db2.gz WPWYFCUHQSGAIX-KNQAVFIVSA-N 1 1 407.562 3.241 50 0 HGAAMO Cc1c(Cl)cccc1N1C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4ccccc43)[C@H]2C1=O ZINC000245311961 569055764 /nfs/dbraw/zinc/05/57/64/569055764.db2.gz QYKFPSKFNDXJHN-RTXPOLOASA-N 1 1 421.884 3.080 50 0 HGAAMO Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(C(=O)Nc4ccccc43)[C@H]2C1=O ZINC000247891121 569057631 /nfs/dbraw/zinc/05/76/31/569057631.db2.gz VOPLWFGSMDFFHN-YIKPNSEUSA-N 1 1 421.884 3.080 50 0 HGAAMO Cc1cc(Cl)cc(Cl)c1CNC(=O)N1CCC([N@H+]2CCC[C@@H](O)C2)CC1 ZINC000426485689 569073188 /nfs/dbraw/zinc/07/31/88/569073188.db2.gz OCGYXAKCAPEHEE-MRXNPFEDSA-N 1 1 400.350 3.433 50 0 HGAAMO COc1cc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)NCc2ccccc2)ccc1O ZINC000006641838 569078192 /nfs/dbraw/zinc/07/81/92/569078192.db2.gz VRIZZBHMPMVZAN-YNJKOYDBSA-N 1 1 424.541 3.385 50 0 biogenic HGAAMO COc1cc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)NCc2ccccc2)ccc1O ZINC000006641838 569078194 /nfs/dbraw/zinc/07/81/94/569078194.db2.gz VRIZZBHMPMVZAN-YNJKOYDBSA-N 1 1 424.541 3.385 50 0 biogenic HGAAMO CCOC(=O)C1=C(C[N@@H+]2CC[C@H](c3ccccc3)C2)NC(=O)N[C@H]1c1ccc(F)cc1 ZINC000036080267 569087100 /nfs/dbraw/zinc/08/71/00/569087100.db2.gz WCLXLKQTPFXVDL-AVRDEDQJSA-N 1 1 423.488 3.486 50 0 HGAAMO CCOC(=O)C1=C(C[N@H+]2CC[C@H](c3ccccc3)C2)NC(=O)N[C@H]1c1ccc(F)cc1 ZINC000036080267 569087102 /nfs/dbraw/zinc/08/71/02/569087102.db2.gz WCLXLKQTPFXVDL-AVRDEDQJSA-N 1 1 423.488 3.486 50 0 HGAAMO CCOC(=O)C1C(C[N@@H+]2CC[C@H](c3ccccc3)C2)=NC(=O)N[C@H]1c1ccc(F)cc1 ZINC000036080267 569087103 /nfs/dbraw/zinc/08/71/03/569087103.db2.gz WCLXLKQTPFXVDL-AVRDEDQJSA-N 1 1 423.488 3.486 50 0 HGAAMO CCOC(=O)C1C(C[N@H+]2CC[C@H](c3ccccc3)C2)=NC(=O)N[C@H]1c1ccc(F)cc1 ZINC000036080267 569087105 /nfs/dbraw/zinc/08/71/05/569087105.db2.gz WCLXLKQTPFXVDL-AVRDEDQJSA-N 1 1 423.488 3.486 50 0 HGAAMO COc1ccc(C[N@@H+](Cc2ccco2)C[C@@H](O)COCc2ccco2)cc1OC ZINC000036095728 569089963 /nfs/dbraw/zinc/08/99/63/569089963.db2.gz MAXJCHRIANSBEI-GOSISDBHSA-N 1 1 401.459 3.470 50 0 HGAAMO COc1ccc(C[N@H+](Cc2ccco2)C[C@@H](O)COCc2ccco2)cc1OC ZINC000036095728 569089965 /nfs/dbraw/zinc/08/99/65/569089965.db2.gz MAXJCHRIANSBEI-GOSISDBHSA-N 1 1 401.459 3.470 50 0 HGAAMO COc1ccc(C[N@@H+](C[C@H](O)COc2ccccc2)C[C@@H]2CCCO2)cc1OC ZINC000036096047 569090076 /nfs/dbraw/zinc/09/00/76/569090076.db2.gz NOVNBTNIEHSDQI-FPOVZHCZSA-N 1 1 401.503 3.125 50 0 HGAAMO COc1cccc(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@@H](O)COC(C)C)c1OC ZINC000036103723 569092346 /nfs/dbraw/zinc/09/23/46/569092346.db2.gz XSSHZKLQPVPXMY-LJQANCHMSA-N 1 1 417.502 3.221 50 0 HGAAMO COc1cccc(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@@H](O)COC(C)C)c1OC ZINC000036103723 569092347 /nfs/dbraw/zinc/09/23/47/569092347.db2.gz XSSHZKLQPVPXMY-LJQANCHMSA-N 1 1 417.502 3.221 50 0 HGAAMO CCCC(=O)OC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1cccc(OC)c1OC ZINC000036103667 569092376 /nfs/dbraw/zinc/09/23/76/569092376.db2.gz WEWIIELFVAKTGH-FQEVSTJZSA-N 1 1 401.503 3.410 50 0 HGAAMO COc1cccc(C[N@@H+]2CC=C(C(=O)N3CCN(c4ccccc4OC)CC3)CC2)c1 ZINC000064817991 569101285 /nfs/dbraw/zinc/10/12/85/569101285.db2.gz FSTDYDKNGHUSPK-UHFFFAOYSA-N 1 1 421.541 3.185 50 0 HGAAMO O=C(CN1CC[NH+](CCOc2cccc3ccccc32)CC1)N1CCc2ccccc21 ZINC000064953073 569132698 /nfs/dbraw/zinc/13/26/98/569132698.db2.gz MVPBAKXBOPXPDS-UHFFFAOYSA-N 1 1 415.537 3.426 50 0 HGAAMO Cc1ccc(C)c(C2=NN(C(=O)CN3CC[NH+](C)CC3)[C@@H](c3cccc(F)c3)C2)c1 ZINC000036344807 569142838 /nfs/dbraw/zinc/14/28/38/569142838.db2.gz QISVWBGRPWPJSY-HSZRJFAPSA-N 1 1 408.521 3.368 50 0 HGAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)CN1c2ccccc2Oc2ncccc2C1=O ZINC000006878015 569164821 /nfs/dbraw/zinc/16/48/21/569164821.db2.gz WEDBGCBQRJXTRD-QGZVFWFLSA-N 1 1 408.502 3.215 50 0 HGAAMO C[C@@H]1CN(Cc2ccc(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc2)C[C@H](C)O1 ZINC000036395391 569168723 /nfs/dbraw/zinc/16/87/23/569168723.db2.gz YFRVCXMULMTCAR-JXALWOEJSA-N 1 1 407.558 3.300 50 0 HGAAMO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N2CCN(c3cccc(C)c3)CC2)cc1OC ZINC000036397103 569170156 /nfs/dbraw/zinc/17/01/56/569170156.db2.gz HRKLQSMLMAHAJX-QFIPXVFZSA-N 1 1 423.557 3.498 50 0 HGAAMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N2CCN(c3cccc(C)c3)CC2)cc1OC ZINC000036397103 569170157 /nfs/dbraw/zinc/17/01/57/569170157.db2.gz HRKLQSMLMAHAJX-QFIPXVFZSA-N 1 1 423.557 3.498 50 0 HGAAMO CC[C@@H](C(=O)NCCC[N@H+]1CCC[C@@H](C)C1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000169779705 569174564 /nfs/dbraw/zinc/17/45/64/569174564.db2.gz HTVQNNQLGZYRGY-XLIONFOSSA-N 1 1 423.561 3.078 50 0 HGAAMO CC[C@H](C(=O)NCCC[N@H+]1CCC[C@@H](C)C1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000169779707 569174580 /nfs/dbraw/zinc/17/45/80/569174580.db2.gz HTVQNNQLGZYRGY-YLJYHZDGSA-N 1 1 423.561 3.078 50 0 HGAAMO CC1CC[NH+](Cc2csc(N3CCN(C(=O)COc4ccccc4)CC3)n2)CC1 ZINC000065200264 569193705 /nfs/dbraw/zinc/19/37/05/569193705.db2.gz ILMGUBIXPZYJKE-UHFFFAOYSA-N 1 1 414.575 3.103 50 0 HGAAMO CC[N@H+](CC(=O)NCC(=O)Nc1ccc(Br)cc1C)Cc1ccccc1 ZINC000007437630 569239022 /nfs/dbraw/zinc/23/90/22/569239022.db2.gz SCZOVAMVJMISPP-UHFFFAOYSA-N 1 1 418.335 3.334 50 0 HGAAMO CC[N@@H+](CC(=O)NCC(=O)Nc1ccc(Br)cc1C)Cc1ccccc1 ZINC000007437630 569239023 /nfs/dbraw/zinc/23/90/23/569239023.db2.gz SCZOVAMVJMISPP-UHFFFAOYSA-N 1 1 418.335 3.334 50 0 HGAAMO Cc1cc(OCC(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c2c3c(c(=O)oc2c1)CCC3 ZINC000170613596 569246901 /nfs/dbraw/zinc/24/69/01/569246901.db2.gz GZKZUSFMHOOODR-PXNSSMCTSA-N 1 1 424.541 3.350 50 0 HGAAMO Cc1ccc(-n2ncc(C(=O)NC3CCN(c4[nH+]ccn4C)CC3)c2C(C)C)cc1 ZINC000170614465 569247132 /nfs/dbraw/zinc/24/71/32/569247132.db2.gz SGSLNMICJUKIOU-UHFFFAOYSA-N 1 1 406.534 3.436 50 0 HGAAMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)COc1ccc(N2CCCC2=O)cc1 ZINC000089937327 569269105 /nfs/dbraw/zinc/26/91/05/569269105.db2.gz XBHQIULKOZHLCJ-XXBNENTESA-N 1 1 421.541 3.219 50 0 HGAAMO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000002147868 569289763 /nfs/dbraw/zinc/28/97/63/569289763.db2.gz GLQDHYZYYYRCEH-XUVXKRRUSA-N 1 1 413.521 3.436 50 0 biogenic HGAAMO C[NH+](C)[C@@H](CNC(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccccc1Cl ZINC000007797974 569311182 /nfs/dbraw/zinc/31/11/82/569311182.db2.gz GYAFSFYQZSTHCZ-IBGZPJMESA-N 1 1 413.905 3.135 50 0 HGAAMO CC(C)C[NH+]1CCN([C@@H]2CCOC3(CCN(C(=O)c4ccsc4)CC3)C2)CC1 ZINC000581819677 569320681 /nfs/dbraw/zinc/32/06/81/569320681.db2.gz AWRQGJNNVMQLCL-HXUWFJFHSA-N 1 1 405.608 3.176 50 0 HGAAMO O=C(Nc1cccc(OC(F)F)c1)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000078975205 569422812 /nfs/dbraw/zinc/42/28/12/569422812.db2.gz SJZWHCIWHXUESG-LPHOPBHVSA-N 1 1 405.445 3.293 50 0 HGAAMO Cc1ccc2[nH]c(C)c(C[NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)c(=O)c2c1 ZINC000019793697 569430007 /nfs/dbraw/zinc/43/00/07/569430007.db2.gz LGQNBMSGUSROFJ-UHFFFAOYSA-N 1 1 405.498 3.191 50 0 HGAAMO COc1ccc(CCNC(=O)[C@@H](C)[N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1 ZINC000040018039 571139101 /nfs/dbraw/zinc/13/91/01/571139101.db2.gz ZATLQMOVZNBWCC-QUCCMNQESA-N 1 1 409.530 3.093 50 0 HGAAMO O=C(C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccn2)C1)Nc1ccc(OC(F)(F)F)cc1 ZINC000040149563 571197014 /nfs/dbraw/zinc/19/70/14/571197014.db2.gz QWVDCVRUYKQARR-CQSZACIVSA-N 1 1 422.407 3.269 50 0 HGAAMO O=C(C[N@H+]1CCC[C@@H](C(=O)Nc2ccccn2)C1)Nc1ccc(OC(F)(F)F)cc1 ZINC000040149563 571197017 /nfs/dbraw/zinc/19/70/17/571197017.db2.gz QWVDCVRUYKQARR-CQSZACIVSA-N 1 1 422.407 3.269 50 0 HGAAMO O=C(C[N@H+]1CC[C@H](c2ccccc2)C1)NC1CCN(C(=O)CCc2ccccc2)CC1 ZINC000069569982 571230369 /nfs/dbraw/zinc/23/03/69/571230369.db2.gz LIYXUXZRZGUCII-QHCPKHFHSA-N 1 1 419.569 3.216 50 0 HGAAMO O=S1(=O)CC[C@@H]([NH2+]Cc2cc(Br)ccc2OCc2ccccc2)C1 ZINC000009389493 571254319 /nfs/dbraw/zinc/25/43/19/571254319.db2.gz KKCYVUTUHCAFFA-QGZVFWFLSA-N 1 1 410.333 3.305 50 0 HGAAMO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000009591797 571271853 /nfs/dbraw/zinc/27/18/53/571271853.db2.gz LXQILKMADAEJFZ-CRAIPNDOSA-N 1 1 401.507 3.142 50 0 HGAAMO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000009591797 571271854 /nfs/dbraw/zinc/27/18/54/571271854.db2.gz LXQILKMADAEJFZ-CRAIPNDOSA-N 1 1 401.507 3.142 50 0 HGAAMO Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccccc2)c1C ZINC000010340839 571301040 /nfs/dbraw/zinc/30/10/40/571301040.db2.gz RLFKQWDHYBJPOT-OAQYLSRUSA-N 1 1 415.559 3.329 50 0 HGAAMO Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccccc2)c1C ZINC000010340839 571301041 /nfs/dbraw/zinc/30/10/41/571301041.db2.gz RLFKQWDHYBJPOT-OAQYLSRUSA-N 1 1 415.559 3.329 50 0 HGAAMO COc1ccc(S(=O)(=O)N2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)cc1 ZINC000004365139 132275839 /nfs/dbraw/zinc/27/58/39/132275839.db2.gz PKUCUTHJWYFCDC-UHFFFAOYSA-N 1 1 417.918 3.408 50 0 HGAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)CCC(=O)N2CCSc3ccccc32)C1 ZINC000006750748 132314908 /nfs/dbraw/zinc/31/49/08/132314908.db2.gz IVEKUGRBNBVFPV-HDICACEKSA-N 1 1 403.592 3.390 50 0 HGAAMO CCC[N@@H+]1CCc2nc(NC(=O)c3cccc(S(=O)(=O)C(C)C)c3)sc2C1 ZINC000056928530 519863782 /nfs/dbraw/zinc/86/37/82/519863782.db2.gz ACYGHXDJEAGHNF-UHFFFAOYSA-N 1 1 407.561 3.346 50 0 HGAAMO CCC[N@H+]1CCc2nc(NC(=O)c3cccc(S(=O)(=O)C(C)C)c3)sc2C1 ZINC000056928530 519863783 /nfs/dbraw/zinc/86/37/83/519863783.db2.gz ACYGHXDJEAGHNF-UHFFFAOYSA-N 1 1 407.561 3.346 50 0 HGAAMO COc1cc(OC)c(C2=CC[N@H+](Cc3cc(=O)n4ccc(C)cc4n3)CC2)c(OC)c1 ZINC000032860123 522790484 /nfs/dbraw/zinc/79/04/84/522790484.db2.gz LWUGEYDPGOWRLM-UHFFFAOYSA-N 1 1 421.497 3.318 50 0 HGAAMO COc1cc(OC)c(C2=CC[N@@H+](Cc3cc(=O)n4ccc(C)cc4n3)CC2)c(OC)c1 ZINC000032860123 522790488 /nfs/dbraw/zinc/79/04/88/522790488.db2.gz LWUGEYDPGOWRLM-UHFFFAOYSA-N 1 1 421.497 3.318 50 0 HGAAMO CCn1cc(CN2CCC[C@@H]([N@@H+](C)CCc3ccc(OC)c(OC)c3)C2)c(C)n1 ZINC000020598780 523372751 /nfs/dbraw/zinc/37/27/51/523372751.db2.gz YYZIEBBJBGJZLY-OAQYLSRUSA-N 1 1 400.567 3.368 50 0 HGAAMO Cc1ccc(N2C[C@H](C(=O)NCCC[N@H+]3CCc4ccccc4C3)CC2=O)cc1F ZINC000032400949 524984261 /nfs/dbraw/zinc/98/42/61/524984261.db2.gz ASYBDMMWEJHZPJ-HXUWFJFHSA-N 1 1 409.505 3.052 50 0 HGAAMO Cc1ccccc1C[NH+]1CCN(C(=O)C[C@H](NC(N)=O)c2ccc(Cl)cc2)CC1 ZINC000032676112 525143094 /nfs/dbraw/zinc/14/30/94/525143094.db2.gz FPGLTVQFCZRYMB-FQEVSTJZSA-N 1 1 414.937 3.092 50 0 HGAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)C2CCN(C(=O)C3CC3)CC2)C1 ZINC000048353703 525386296 /nfs/dbraw/zinc/38/62/96/525386296.db2.gz LKLDGJMYDREKQK-KDURUIRLSA-N 1 1 411.590 3.429 50 0 HGAAMO O=C(CCN1CC[NH+](CCOc2ccc(Cl)cc2)CC1)N1CCc2ccccc21 ZINC000032870829 526487221 /nfs/dbraw/zinc/48/72/21/526487221.db2.gz DAYVBWITWJYDAQ-UHFFFAOYSA-N 1 1 413.949 3.316 50 0 HGAAMO NC(=O)NCCCCCC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3)s2)CC1 ZINC000032809497 526936473 /nfs/dbraw/zinc/93/64/73/526936473.db2.gz BVXJYWCUZPGINJ-UHFFFAOYSA-N 1 1 414.575 3.288 50 0 HGAAMO O=S1(=O)CC[C@H]([NH2+]Cc2ccc(Sc3ccc(Br)cc3)o2)C1 ZINC000041155252 527312643 /nfs/dbraw/zinc/31/26/43/527312643.db2.gz RQCUEAIAVUGFGA-LBPRGKRZSA-N 1 1 402.335 3.470 50 0 HGAAMO O=C(NCCC[NH+]1CCOCC1)c1ccccc1NC(=O)c1cccc(Cl)c1 ZINC000019897325 527673708 /nfs/dbraw/zinc/67/37/08/527673708.db2.gz XSTKJAZHCCPCJA-UHFFFAOYSA-N 1 1 401.894 3.044 50 0 HGAAMO COc1cccc(N2CC[NH+](Cc3cccc(C(=O)NCc4cccnc4)c3)CC2)c1 ZINC000034684821 557387913 /nfs/dbraw/zinc/38/79/13/557387913.db2.gz PUADMUXPUYLUGR-UHFFFAOYSA-N 1 1 416.525 3.342 50 0 HGAAMO COCCN(C[C@@H]1C[N@@H+](Cc2ccc(C)o2)C[C@H]1c1cccc(F)c1)C(=O)COC ZINC000034740557 557443987 /nfs/dbraw/zinc/44/39/87/557443987.db2.gz RFSADAQIBLDOOY-UGKGYDQZSA-N 1 1 418.509 3.064 50 0 HGAAMO Cc1c(NC(=O)C[NH+]2CCC(Cc3ccccc3)CC2)c(=O)n(-c2ccccc2)n1C ZINC000003209549 557456688 /nfs/dbraw/zinc/45/66/88/557456688.db2.gz RARRJBHVYQJDOH-UHFFFAOYSA-N 1 1 418.541 3.378 50 0 HGAAMO O=C(Cc1csc(NC(=O)c2ccccc2)n1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022699189 557796452 /nfs/dbraw/zinc/79/64/52/557796452.db2.gz BGKRLZIAGUCXGT-UHFFFAOYSA-N 1 1 420.538 3.282 50 0 HGAAMO COc1cc(C(=O)NCCC[NH+]2CCOCC2)ccc1OCc1ccc(Cl)cc1 ZINC000019720257 558258765 /nfs/dbraw/zinc/25/87/65/558258765.db2.gz YYEPNUWQSBCRLK-UHFFFAOYSA-N 1 1 418.921 3.380 50 0 HGAAMO C[N@@H+]1CCN(C(=O)CC[C@@]2(Cc3cccs3)CCC(=O)N2)[C@@H](c2ccccc2)C1 ZINC000019740924 558261596 /nfs/dbraw/zinc/26/15/96/558261596.db2.gz WBOMJYQHUITYEE-NFBKMPQASA-N 1 1 411.571 3.235 50 0 HGAAMO C[N@H+]1CCN(C(=O)CC[C@@]2(Cc3cccs3)CCC(=O)N2)[C@@H](c2ccccc2)C1 ZINC000019740924 558261597 /nfs/dbraw/zinc/26/15/97/558261597.db2.gz WBOMJYQHUITYEE-NFBKMPQASA-N 1 1 411.571 3.235 50 0 HGAAMO C[NH+](C)CCNC(=O)c1ccc(OC2CCN(Cc3ccncc3)CC2)c(Cl)c1 ZINC000011667906 558269757 /nfs/dbraw/zinc/26/97/57/558269757.db2.gz OFAZUPBFXXPEFE-UHFFFAOYSA-N 1 1 416.953 3.070 50 0 HGAAMO CC(=O)N[C@@H](CC(C)C)c1nnc2n1CC[N@H+](Cc1ccc(OC(C)C)cc1)CC2 ZINC000011787173 558276410 /nfs/dbraw/zinc/27/64/10/558276410.db2.gz SGMJPQOJLBMCSJ-NRFANRHFSA-N 1 1 413.566 3.347 50 0 HGAAMO COC[C@H]1CCC[N@@H+](Cc2c(C(=O)N(C)Cc3ccccc3)nc3ccccn32)C1 ZINC000011820157 558283362 /nfs/dbraw/zinc/28/33/62/558283362.db2.gz CXOFCHQFQCOMOS-FQEVSTJZSA-N 1 1 406.530 3.465 50 0 HGAAMO COc1ccc(CC[N@H+](C)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000019877348 558300040 /nfs/dbraw/zinc/30/00/40/558300040.db2.gz TVWUYIGPEAFSRB-QGZVFWFLSA-N 1 1 402.878 3.164 50 0 HGAAMO COc1ccc(CC[N@@H+](C)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000019877348 558300042 /nfs/dbraw/zinc/30/00/42/558300042.db2.gz TVWUYIGPEAFSRB-QGZVFWFLSA-N 1 1 402.878 3.164 50 0 HGAAMO CN(C[C@@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)c1ccnn1C ZINC000011958496 558303880 /nfs/dbraw/zinc/30/38/80/558303880.db2.gz OHVONRIIJJXLOI-KRWDZBQOSA-N 1 1 408.468 3.466 50 0 HGAAMO COc1ccccc1CN(C)Cc1ccc(OC[C@@H](O)C[N@H+](C)C(C)C)c(OC)c1 ZINC000012024410 558309923 /nfs/dbraw/zinc/30/99/23/558309923.db2.gz XDFFFJUUCMPHDA-NRFANRHFSA-N 1 1 416.562 3.416 50 0 HGAAMO COc1ccccc1CN(C)Cc1ccc(OC[C@@H](O)C[N@@H+](C)C(C)C)c(OC)c1 ZINC000012024410 558309926 /nfs/dbraw/zinc/30/99/26/558309926.db2.gz XDFFFJUUCMPHDA-NRFANRHFSA-N 1 1 416.562 3.416 50 0 HGAAMO Cc1cccc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCN(Cc3ccccc3F)C2)n1 ZINC000012024658 558309971 /nfs/dbraw/zinc/30/99/71/558309971.db2.gz ZRBUJLNHOOMJKX-HXUWFJFHSA-N 1 1 412.553 3.445 50 0 HGAAMO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(Cc2cc(OC)ccc2F)CC1 ZINC000012055648 558315879 /nfs/dbraw/zinc/31/58/79/558315879.db2.gz XRHYENVHHQSJBD-HXUWFJFHSA-N 1 1 405.558 3.427 50 0 HGAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(Cc2cc(OC)ccc2F)CC1 ZINC000012055648 558315882 /nfs/dbraw/zinc/31/58/82/558315882.db2.gz XRHYENVHHQSJBD-HXUWFJFHSA-N 1 1 405.558 3.427 50 0 HGAAMO CSc1cccc(C[NH2+]Cc2ccccc2OC[C@H](O)CN2CCSCC2)c1 ZINC000012075925 558319595 /nfs/dbraw/zinc/31/95/95/558319595.db2.gz HHCDDLSPJWZBIW-HXUWFJFHSA-N 1 1 418.628 3.487 50 0 HGAAMO O=C(c1ccccc1F)N1CCC(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000020028316 558322708 /nfs/dbraw/zinc/32/27/08/558322708.db2.gz FIXNVKOZVKYPFF-UHFFFAOYSA-N 1 1 409.505 3.022 50 0 HGAAMO COCCNC(=O)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)C[N@H+]1Cc1cccc(C)c1 ZINC000012151235 558339114 /nfs/dbraw/zinc/33/91/14/558339114.db2.gz GMALAYIHDQJLFR-NQIIRXRSSA-N 1 1 424.570 3.369 50 0 HGAAMO Cc1c(C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)cnn1-c1nccc(-c2cccs2)n1 ZINC000012154224 558339563 /nfs/dbraw/zinc/33/95/63/558339563.db2.gz BWOHOCWONCYZOV-INIZCTEOSA-N 1 1 410.547 3.113 50 0 HGAAMO COc1ccc(CC[N@@H+](C)[C@H]2CCCN(C3CSCCSC3)C2)cc1OC ZINC000020201405 558345675 /nfs/dbraw/zinc/34/56/75/558345675.db2.gz CRXHCHWDTCZWTH-SFHVURJKSA-N 1 1 410.649 3.491 50 0 HGAAMO COc1ccc(CCN(C)[C@H]2CCC[N@@H+](C3CSCCSC3)C2)cc1OC ZINC000020201405 558345676 /nfs/dbraw/zinc/34/56/76/558345676.db2.gz CRXHCHWDTCZWTH-SFHVURJKSA-N 1 1 410.649 3.491 50 0 HGAAMO COc1ccc(CCN(C)[C@H]2CCC[N@H+](C3CSCCSC3)C2)cc1OC ZINC000020201405 558345677 /nfs/dbraw/zinc/34/56/77/558345677.db2.gz CRXHCHWDTCZWTH-SFHVURJKSA-N 1 1 410.649 3.491 50 0 HGAAMO COc1cc(CN2CC[N@@H+](Cc3cn(C)c4ccccc34)C[C@@H]2CCO)cc(OC)c1 ZINC000020209002 558347180 /nfs/dbraw/zinc/34/71/80/558347180.db2.gz LNDGNWCEDBSUPC-NRFANRHFSA-N 1 1 423.557 3.264 50 0 HGAAMO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)C1 ZINC000012193335 558348446 /nfs/dbraw/zinc/34/84/46/558348446.db2.gz LPUFYBWGKHPQFF-FQEVSTJZSA-N 1 1 422.573 3.197 50 0 HGAAMO C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)C1 ZINC000012193335 558348447 /nfs/dbraw/zinc/34/84/47/558348447.db2.gz LPUFYBWGKHPQFF-FQEVSTJZSA-N 1 1 422.573 3.197 50 0 HGAAMO Cc1ccc(C(=O)N[C@H](C(=O)N2CC[NH+](C)CC2)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000020351849 558356829 /nfs/dbraw/zinc/35/68/29/558356829.db2.gz MVUAHCCTZPMUGI-HUUFRCNWSA-N 1 1 409.574 3.084 50 0 HGAAMO O=C(c1cn(Cc2ccc(F)cc2Cl)nn1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000012298954 558369049 /nfs/dbraw/zinc/36/90/49/558369049.db2.gz GIACVXPPYATNLV-UHFFFAOYSA-N 1 1 405.905 3.209 50 0 HGAAMO OCC[C@@H]1CN(Cc2c[nH]nc2-c2cccc(F)c2)CC[N@@H+]1Cc1ccsc1 ZINC000020455833 558369482 /nfs/dbraw/zinc/36/94/82/558369482.db2.gz NMQJEETUWDQYDL-HXUWFJFHSA-N 1 1 400.523 3.346 50 0 HGAAMO OCC[C@@H]1CN(Cc2c[nH]nc2-c2cccc(F)c2)CC[N@H+]1Cc1ccsc1 ZINC000020455833 558369485 /nfs/dbraw/zinc/36/94/85/558369485.db2.gz NMQJEETUWDQYDL-HXUWFJFHSA-N 1 1 400.523 3.346 50 0 HGAAMO O=C([C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020613610 558391765 /nfs/dbraw/zinc/39/17/65/558391765.db2.gz XTNHMHYHBQLPRY-KRWDZBQOSA-N 1 1 415.896 3.176 50 0 HGAAMO O=C(NCc1ccccn1)[C@H]1CCC[N@H+](C2CCN(C/C=C/c3ccco3)CC2)C1 ZINC000012432781 558406977 /nfs/dbraw/zinc/40/69/77/558406977.db2.gz JBSGARXCPPRYIW-BFSLETRISA-N 1 1 408.546 3.181 50 0 HGAAMO CCOC(=O)c1n[nH]cc1C[N@@H+]1CCC[C@](Cc2ccccc2C)(C(=O)OCC)C1 ZINC000012433926 558407753 /nfs/dbraw/zinc/40/77/53/558407753.db2.gz AHZVVACZIXSXHM-HSZRJFAPSA-N 1 1 413.518 3.283 50 0 HGAAMO CCOC(=O)c1n[nH]cc1C[N@H+]1CCC[C@](Cc2ccccc2C)(C(=O)OCC)C1 ZINC000012433926 558407755 /nfs/dbraw/zinc/40/77/55/558407755.db2.gz AHZVVACZIXSXHM-HSZRJFAPSA-N 1 1 413.518 3.283 50 0 HGAAMO Cc1cc(C)n2nc(C(=O)N(C)[C@H]3CCC[N@H+](C4Cc5ccccc5C4)C3)cc2n1 ZINC000012438119 558409806 /nfs/dbraw/zinc/40/98/06/558409806.db2.gz GWRVKXZXQJHUBP-FQEVSTJZSA-N 1 1 403.530 3.050 50 0 HGAAMO COc1ccccc1-n1cc(CN2CC[N@H+](Cc3cccs3)[C@@H](CCO)C2)cn1 ZINC000020779421 558412453 /nfs/dbraw/zinc/41/24/53/558412453.db2.gz SANZTNYARBDERP-IBGZPJMESA-N 1 1 412.559 3.011 50 0 HGAAMO COc1ccccc1-n1cc(CN2CC[N@@H+](Cc3cccs3)[C@@H](CCO)C2)cn1 ZINC000020779421 558412455 /nfs/dbraw/zinc/41/24/55/558412455.db2.gz SANZTNYARBDERP-IBGZPJMESA-N 1 1 412.559 3.011 50 0 HGAAMO CCN1CCN(C[C@@H](O)COc2cccc(C[N@H+](C)Cc3ccc(C)cc3)c2)CC1 ZINC000020779182 558412542 /nfs/dbraw/zinc/41/25/42/558412542.db2.gz GBNJHYIUYNAYBF-XMMPIXPASA-N 1 1 411.590 3.004 50 0 HGAAMO CCN1CCN(C[C@@H](O)COc2cccc(C[N@@H+](C)Cc3ccc(C)cc3)c2)CC1 ZINC000020779182 558412546 /nfs/dbraw/zinc/41/25/46/558412546.db2.gz GBNJHYIUYNAYBF-XMMPIXPASA-N 1 1 411.590 3.004 50 0 HGAAMO COc1ccc(F)c(CN2CC[N@H+](Cc3ccc(OC)c(C)c3)[C@@H](CCO)C2)c1 ZINC000020993224 558426152 /nfs/dbraw/zinc/42/61/52/558426152.db2.gz PILKNTGGHMJWFX-FQEVSTJZSA-N 1 1 402.510 3.220 50 0 HGAAMO COc1ccc(F)c(CN2CC[N@@H+](Cc3ccc(OC)c(C)c3)[C@@H](CCO)C2)c1 ZINC000020993224 558426154 /nfs/dbraw/zinc/42/61/54/558426154.db2.gz PILKNTGGHMJWFX-FQEVSTJZSA-N 1 1 402.510 3.220 50 0 HGAAMO Cc1nonc1CN(C)Cc1ccccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012613309 558439161 /nfs/dbraw/zinc/43/91/61/558439161.db2.gz LICQFMRGUYLJRX-FQEVSTJZSA-N 1 1 402.539 3.014 50 0 HGAAMO COc1cccc(C[N@H+](C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C(F)(F)F)c1 ZINC000012748404 558458720 /nfs/dbraw/zinc/45/87/20/558458720.db2.gz WFBGYNFJGUFELI-SFHVURJKSA-N 1 1 421.419 3.433 50 0 HGAAMO COc1cccc(C[N@@H+](C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C(F)(F)F)c1 ZINC000012748404 558458722 /nfs/dbraw/zinc/45/87/22/558458722.db2.gz WFBGYNFJGUFELI-SFHVURJKSA-N 1 1 421.419 3.433 50 0 HGAAMO O[C@@H](COc1ccc(Oc2ccccc2)cc1)C[NH+]1CCN(c2nccs2)CC1 ZINC000012787691 558463595 /nfs/dbraw/zinc/46/35/95/558463595.db2.gz QVPACWIKQHIEJF-GOSISDBHSA-N 1 1 411.527 3.497 50 0 HGAAMO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)Nc1ccccc1-c1ccccc1 ZINC000022198817 558466350 /nfs/dbraw/zinc/46/63/50/558466350.db2.gz RUGLSSWHZLWJJF-QFIPXVFZSA-N 1 1 407.514 3.005 50 0 HGAAMO O=S(=O)(NCc1ccc(C[NH+]2CCOCC2)cc1)c1cccc(C(F)(F)F)c1 ZINC000022357627 558483059 /nfs/dbraw/zinc/48/30/59/558483059.db2.gz LAYGEWQERJCWNO-UHFFFAOYSA-N 1 1 414.449 3.016 50 0 HGAAMO COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000022799465 558512733 /nfs/dbraw/zinc/51/27/33/558512733.db2.gz NNXKJOGRRFBOQO-QPPBQGQZSA-N 1 1 423.557 3.480 50 0 HGAAMO Cc1ccccc1C[N@@H+]1CCc2nnc([C@H](NC(=O)c3ccoc3)C(C)C)n2CC1 ZINC000023129450 558536951 /nfs/dbraw/zinc/53/69/51/558536951.db2.gz VYVORLDWTSMXCF-OAQYLSRUSA-N 1 1 407.518 3.365 50 0 HGAAMO Cc1ccc(CN2CC[N@H+](C3CCN(c4ccccc4F)CC3)C[C@@H]2CCO)o1 ZINC000023361094 558552265 /nfs/dbraw/zinc/55/22/65/558552265.db2.gz COQSQMNJMCDNFC-FQEVSTJZSA-N 1 1 401.526 3.265 50 0 HGAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc(-c2cnc(NC3CCCCC3)nc2)cc1 ZINC000065025596 558591051 /nfs/dbraw/zinc/59/10/51/558591051.db2.gz SMLNWNNOTSTPSV-UHFFFAOYSA-N 1 1 423.561 3.340 50 0 HGAAMO c1nn(-c2ccccc2)c2ncnc(NC[C@@H]3C[N@H+](Cc4ccccc4)CCO3)c12 ZINC000024528331 558600334 /nfs/dbraw/zinc/60/03/34/558600334.db2.gz WJHFYIVROHMRLP-HXUWFJFHSA-N 1 1 400.486 3.128 50 0 HGAAMO c1nn(-c2ccccc2)c2ncnc(NC[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)c12 ZINC000024528331 558600337 /nfs/dbraw/zinc/60/03/37/558600337.db2.gz WJHFYIVROHMRLP-HXUWFJFHSA-N 1 1 400.486 3.128 50 0 HGAAMO CCOc1cc(C[N@H+](CC)CC(=O)NC(=O)NC)ccc1OCc1cccs1 ZINC000024979946 558624125 /nfs/dbraw/zinc/62/41/25/558624125.db2.gz GKGPXLZLVXAXQA-UHFFFAOYSA-N 1 1 405.520 3.003 50 0 HGAAMO CCOc1cc(C[N@@H+](CC)CC(=O)NC(=O)NC)ccc1OCc1cccs1 ZINC000024979946 558624126 /nfs/dbraw/zinc/62/41/26/558624126.db2.gz GKGPXLZLVXAXQA-UHFFFAOYSA-N 1 1 405.520 3.003 50 0 HGAAMO CN(C)C(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C[N@@H+](Cc2ccc(O)cc2)C1 ZINC000014747515 558669566 /nfs/dbraw/zinc/66/95/66/558669566.db2.gz HSGGNQZAWVXPQH-RTWAWAEBSA-N 1 1 421.541 3.046 50 0 HGAAMO COc1ccccc1NC(=O)[C@H](C)[N@H+](C)Cc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000027297479 558671685 /nfs/dbraw/zinc/67/16/85/558671685.db2.gz AUCXXVJASFWDCP-AWEZNQCLSA-N 1 1 423.435 3.446 50 0 HGAAMO COc1ccccc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000027297479 558671688 /nfs/dbraw/zinc/67/16/88/558671688.db2.gz AUCXXVJASFWDCP-AWEZNQCLSA-N 1 1 423.435 3.446 50 0 HGAAMO COc1ccc(CCN(C)C(=O)CC[N@@H+]2Cc3ccccc3O[C@H](C)C2)cc1OC ZINC000014974853 558688742 /nfs/dbraw/zinc/68/87/42/558688742.db2.gz ICWGGEUJSCDXDT-GOSISDBHSA-N 1 1 412.530 3.378 50 0 HGAAMO C[C@H]1CCCN(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1 ZINC000028082820 558690848 /nfs/dbraw/zinc/69/08/48/558690848.db2.gz LRUKYMGEKUULNA-FQEVSTJZSA-N 1 1 413.587 3.370 50 0 HGAAMO C[C@H](c1nccs1)N1C(=O)c2cccc(N3CC[NH+](Cc4ccoc4)CC3)c2C1=O ZINC000014983377 558692502 /nfs/dbraw/zinc/69/25/02/558692502.db2.gz GGRPAGXYGKMIEU-OAHLLOKOSA-N 1 1 422.510 3.416 50 0 HGAAMO O=S(=O)(N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1)N1CCCCCC1 ZINC000028939705 558707695 /nfs/dbraw/zinc/70/76/95/558707695.db2.gz ZORPUWMGYVFKDP-UHFFFAOYSA-N 1 1 408.955 3.131 50 0 HGAAMO Cc1cc(C)n(-c2cccc(C[N@H+]3CCC[C@H](CCC(=O)N4CCOCC4)C3)c2)n1 ZINC000015068846 558711392 /nfs/dbraw/zinc/71/13/92/558711392.db2.gz FBPKYUSUQRINTN-OAQYLSRUSA-N 1 1 410.562 3.340 50 0 HGAAMO COc1ccccc1-n1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)cn1 ZINC000015073231 558713934 /nfs/dbraw/zinc/71/39/34/558713934.db2.gz WVBVTSHHRCNTKC-LJQANCHMSA-N 1 1 408.477 3.414 50 0 HGAAMO COc1ccccc1-n1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)cn1 ZINC000015073231 558713938 /nfs/dbraw/zinc/71/39/38/558713938.db2.gz WVBVTSHHRCNTKC-LJQANCHMSA-N 1 1 408.477 3.414 50 0 HGAAMO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000015996803 558765803 /nfs/dbraw/zinc/76/58/03/558765803.db2.gz VLLJMMUWEYSLRX-QPXQOZNCSA-N 1 1 421.884 3.080 50 0 HGAAMO Cc1ccc([C@@H](CNC(=O)COc2ccc(Cl)c(C)c2)N2CC[NH+](C)CC2)o1 ZINC000022938384 558770949 /nfs/dbraw/zinc/77/09/49/558770949.db2.gz CTLRSUYJRJLORX-LJQANCHMSA-N 1 1 405.926 3.034 50 0 HGAAMO Cc1nnc(C(=O)Nc2ccc(C(=O)NCCC[N@@H+]3CCCC[C@H]3C)cc2)s1 ZINC000033011041 558830360 /nfs/dbraw/zinc/83/03/60/558830360.db2.gz SOIUJTUWUZNORD-CQSZACIVSA-N 1 1 401.536 3.093 50 0 HGAAMO Cc1[nH]c(C(=O)N2CCC(CC(=O)NCCC[N@@H+]3CCC[C@H](C)C3)CC2)c(C)c1C ZINC000033024424 558841793 /nfs/dbraw/zinc/84/17/93/558841793.db2.gz DDSBLNGISZOLEP-KRWDZBQOSA-N 1 1 416.610 3.420 50 0 HGAAMO C[N@@H+](Cc1ccc(-c2nc(-c3cccnc3)cc(=O)[n-]2)cc1)CC1CC[NH+](C)CC1 ZINC000048090882 558843042 /nfs/dbraw/zinc/84/30/42/558843042.db2.gz HPBQSMKHWGDBOB-UHFFFAOYSA-N 1 1 403.530 3.273 50 0 HGAAMO C[N@H+](Cc1ccc(-c2nc(-c3cccnc3)cc(=O)[n-]2)cc1)CC1CC[NH+](C)CC1 ZINC000048090882 558843044 /nfs/dbraw/zinc/84/30/44/558843044.db2.gz HPBQSMKHWGDBOB-UHFFFAOYSA-N 1 1 403.530 3.273 50 0 HGAAMO Cc1ccccc1N1CCN([C@@H]2CCC[N@@H+](Cc3ccccc3OCCO)C2)CC1 ZINC000019225637 558852535 /nfs/dbraw/zinc/85/25/35/558852535.db2.gz OACFHPBAJZERBO-HSZRJFAPSA-N 1 1 409.574 3.153 50 0 HGAAMO Cc1ccccc1N1CC[NH+]([C@@H]2CCCN(Cc3ccccc3OCCO)C2)CC1 ZINC000019225637 558852537 /nfs/dbraw/zinc/85/25/37/558852537.db2.gz OACFHPBAJZERBO-HSZRJFAPSA-N 1 1 409.574 3.153 50 0 HGAAMO COc1cccc(C[N@@H+]2CCN(Cc3ccc4cccc(F)c4n3)C[C@@H]2CCO)c1 ZINC000019300026 558866249 /nfs/dbraw/zinc/86/62/49/558866249.db2.gz JNXXLLSIXMRKPZ-NRFANRHFSA-N 1 1 409.505 3.451 50 0 HGAAMO COc1cccc(C[N@H+]2CCN(Cc3ccc4cccc(F)c4n3)C[C@@H]2CCO)c1 ZINC000019300026 558866251 /nfs/dbraw/zinc/86/62/51/558866251.db2.gz JNXXLLSIXMRKPZ-NRFANRHFSA-N 1 1 409.505 3.451 50 0 HGAAMO CCn1nc(C)c(C[N@@H+](CCOC)C[C@@]2(c3cccc(OC)c3)CCOC2)c1C ZINC000055042368 558870652 /nfs/dbraw/zinc/87/06/52/558870652.db2.gz DPDAEHXUHXSERT-QHCPKHFHSA-N 1 1 401.551 3.335 50 0 HGAAMO CC[NH+]1CCN(C(=O)c2cnn(-c3nccc(-c4cccs4)n3)c2C(C)C)CC1 ZINC000055120104 558873236 /nfs/dbraw/zinc/87/32/36/558873236.db2.gz GSMJXYWLSYJVPV-UHFFFAOYSA-N 1 1 410.547 3.292 50 0 HGAAMO c1c2ccccc2oc1-c1cnnc(N2CC[NH+](CCOc3ccccc3)CC2)n1 ZINC000055154136 558874495 /nfs/dbraw/zinc/87/44/95/558874495.db2.gz JZEDDYCQBAXLOK-UHFFFAOYSA-N 1 1 401.470 3.486 50 0 HGAAMO CC(C)OCCCNC(=O)C1CC[NH+](CC(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000058357136 558921434 /nfs/dbraw/zinc/92/14/34/558921434.db2.gz SCUOCJCNWAAWIE-UHFFFAOYSA-N 1 1 413.921 3.061 50 0 HGAAMO O=C(c1ccccc1C(F)(F)F)N1CCN(c2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC000072115701 558926742 /nfs/dbraw/zinc/92/67/42/558926742.db2.gz WKASINMSQMHUFV-UHFFFAOYSA-N 1 1 419.451 3.448 50 0 HGAAMO Cc1nc(N2CCCC2)cc(N2CCN(C(=O)Nc3ccc(F)cc3F)CC2)[nH+]1 ZINC000072139306 558928936 /nfs/dbraw/zinc/92/89/36/558928936.db2.gz GBDVJORIBOVLEX-UHFFFAOYSA-N 1 1 402.449 3.018 50 0 HGAAMO COC(=O)c1ccc(-c2noc(C[N@H+](C)CCc3ccc(OC)c(OC)c3)n2)cc1 ZINC000019594907 558945597 /nfs/dbraw/zinc/94/55/97/558945597.db2.gz IARXCRWYPNOTNU-UHFFFAOYSA-N 1 1 411.458 3.215 50 0 HGAAMO COC(=O)c1ccc(-c2noc(C[N@@H+](C)CCc3ccc(OC)c(OC)c3)n2)cc1 ZINC000019594907 558945600 /nfs/dbraw/zinc/94/56/00/558945600.db2.gz IARXCRWYPNOTNU-UHFFFAOYSA-N 1 1 411.458 3.215 50 0 HGAAMO C[N@@H+](CCCNC(=O)c1nnc(C(=O)Nc2ccccc2)s1)Cc1ccccc1 ZINC000033061184 558954412 /nfs/dbraw/zinc/95/44/12/558954412.db2.gz QFCVPCOPXRUJDD-UHFFFAOYSA-N 1 1 409.515 3.042 50 0 HGAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1nnc(C(=O)Nc2cccc(Cl)c2)s1 ZINC000033060340 558954679 /nfs/dbraw/zinc/95/46/79/558954679.db2.gz XKDLHIRGTASRBL-ZDUSSCGKSA-N 1 1 421.954 3.438 50 0 HGAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)c2nnc(C(=O)Nc3cccc(Cl)c3)s2)C1 ZINC000033060352 558954940 /nfs/dbraw/zinc/95/49/40/558954940.db2.gz GKHKXELTXKCWKV-CYBMUJFWSA-N 1 1 421.954 3.296 50 0 HGAAMO Cc1nc(N2CCCC2)cc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)[nH+]1 ZINC000065361961 558972470 /nfs/dbraw/zinc/97/24/70/558972470.db2.gz IEHBPKPROAKWET-UHFFFAOYSA-N 1 1 403.889 3.140 50 0 HGAAMO Cc1nc(-c2ccccc2)sc1C(=O)N1CCN(c2cc(N(C)C)nc(C)[nH+]2)CC1 ZINC000067613054 558989186 /nfs/dbraw/zinc/98/91/86/558989186.db2.gz QSGIIVOBBOTWFA-UHFFFAOYSA-N 1 1 422.558 3.245 50 0 HGAAMO Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)c3c(F)cccc3F)CC2)[nH+]1 ZINC000067613975 558989401 /nfs/dbraw/zinc/98/94/01/558989401.db2.gz ZWFFUOMDJQUDQS-UHFFFAOYSA-N 1 1 401.461 3.016 50 0 HGAAMO O=C(NCc1cccc(F)c1)[C@@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000082087900 559036931 /nfs/dbraw/zinc/03/69/31/559036931.db2.gz XMTVOBZSPRCXBN-OAQYLSRUSA-N 1 1 410.537 3.214 50 0 HGAAMO Cc1ccc(CN(C)C(=O)[C@H]2CCC[N@H+](C3CCN(Cc4cccnc4)CC3)C2)o1 ZINC000082087906 559037018 /nfs/dbraw/zinc/03/70/18/559037018.db2.gz MVXFUUDKCXSEBL-NRFANRHFSA-N 1 1 410.562 3.318 50 0 HGAAMO O=C(NCc1cccnc1)[C@H]1CCC[N@H+](C2CCN(c3ncccc3Cl)CC2)C1 ZINC000082125997 559039803 /nfs/dbraw/zinc/03/98/03/559039803.db2.gz NSCGFTQPUIVKJC-SFHVURJKSA-N 1 1 413.953 3.127 50 0 HGAAMO O=C(NCc1cccnc1)[C@@H]1CCC[N@H+](C2CCN(Cc3ccc(F)cc3)CC2)C1 ZINC000082137091 559040274 /nfs/dbraw/zinc/04/02/74/559040274.db2.gz UGMWHQWFBDHFOS-OAQYLSRUSA-N 1 1 410.537 3.214 50 0 HGAAMO O=C(c1cccc(C(F)(F)F)c1)N1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC000082230725 559043041 /nfs/dbraw/zinc/04/30/41/559043041.db2.gz CSQDAOZPEUTGKJ-UHFFFAOYSA-N 1 1 405.424 3.058 50 0 HGAAMO O[C@@H](COCCOc1ccc(Cl)cc1)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000023224725 559062733 /nfs/dbraw/zinc/06/27/33/559062733.db2.gz KFWDPBBIOWYIKR-GOSISDBHSA-N 1 1 408.901 3.058 50 0 HGAAMO Cc1ocnc1C(=O)N(CC[NH+](C)C)C[C@H]1CCCN(Cc2ccccc2F)C1 ZINC000095505645 559083098 /nfs/dbraw/zinc/08/30/98/559083098.db2.gz GWHPAXRHRUVVJE-SFHVURJKSA-N 1 1 402.514 3.038 50 0 HGAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1nc(-c2cc(OC)c(OC)c(OC)c2)sc1C ZINC000011691875 559185453 /nfs/dbraw/zinc/18/54/53/559185453.db2.gz YYMRPVBDWHLUOB-OAHLLOKOSA-N 1 1 419.547 3.358 50 0 HGAAMO Cc1ccc2oc(=O)c3cnn(CC(=O)NCCC[N@H+](C)Cc4ccccc4)c3c2c1 ZINC000004961746 559217812 /nfs/dbraw/zinc/21/78/12/559217812.db2.gz BPGACTXSUDYQGV-UHFFFAOYSA-N 1 1 418.497 3.089 50 0 HGAAMO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)cc3C)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000033712670 559233693 /nfs/dbraw/zinc/23/36/93/559233693.db2.gz WVCQVSWAKIRRIC-UGCAPWQASA-N 1 1 415.493 3.043 50 0 biogenic HGAAMO CCc1[nH+]ccn1CCC(=O)N1CC[C@]2(C1)CCCN(Cc1cccc(C)c1)C2=O ZINC000426489341 559271879 /nfs/dbraw/zinc/27/18/79/559271879.db2.gz IYJHXCYXDGQBNM-DEOSSOPVSA-N 1 1 408.546 3.185 50 0 HGAAMO CSc1cccc(NC(=O)[C@@H](C)NC(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000080328745 560541871 /nfs/dbraw/zinc/54/18/71/560541871.db2.gz PQXOHICQHKFFOD-QGZVFWFLSA-N 1 1 412.559 3.263 50 0 HGAAMO Cc1ccc(-c2nc3c(c(=O)n2CC(=O)Nc2c(C)cccc2C)C[N@@H+](C)CC3)cc1 ZINC000062007123 560566318 /nfs/dbraw/zinc/56/63/18/560566318.db2.gz XPFMOXRGLGPCHX-UHFFFAOYSA-N 1 1 416.525 3.462 50 0 HGAAMO Cc1nc(-c2ccccn2)sc1C(=O)NCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000104889631 560855992 /nfs/dbraw/zinc/85/59/92/560855992.db2.gz QQXLUWPQQHABGD-FQEVSTJZSA-N 1 1 421.570 3.232 50 0 HGAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)Cc2cc(Cl)c3c(c2)OCCCO3)ccn1 ZINC000047011859 560879606 /nfs/dbraw/zinc/87/96/06/560879606.db2.gz VLYWSUICRQJPGI-UHFFFAOYSA-N 1 1 412.877 3.249 50 0 HGAAMO Cc1nc(CC(C)C)sc1C(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000110600919 560881960 /nfs/dbraw/zinc/88/19/60/560881960.db2.gz JQDZBGRMELRRLR-QGZVFWFLSA-N 1 1 400.548 3.352 50 0 HGAAMO Cc1nc(CC(C)C)sc1C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000110600919 560881962 /nfs/dbraw/zinc/88/19/62/560881962.db2.gz JQDZBGRMELRRLR-QGZVFWFLSA-N 1 1 400.548 3.352 50 0 HGAAMO COc1cccc(CN2CCC[C@]3(CC[N@H+](C4CCSCC4)C3)C2=O)c1OC ZINC000012198924 560891995 /nfs/dbraw/zinc/89/19/95/560891995.db2.gz ZQCJYOTYHQORMV-JOCHJYFZSA-N 1 1 404.576 3.414 50 0 HGAAMO CCOC(=O)c1ccc(NC(=O)NC[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000048013702 568431944 /nfs/dbraw/zinc/43/19/44/568431944.db2.gz SWMHBNVSQHJFPO-GOSISDBHSA-N 1 1 410.518 3.196 50 0 HGAAMO O=C(NC[C@H]([C@@H]1CCOC1)[NH+]1CCOCC1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000048287091 568434515 /nfs/dbraw/zinc/43/45/15/568434515.db2.gz XUHRLTPEVOGWRX-MLGOLLRUSA-N 1 1 421.847 3.218 50 0 HGAAMO CC(C)CNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(=O)n3c(-c4ccccc4)csc3n2)C1 ZINC000048289563 568434989 /nfs/dbraw/zinc/43/49/89/568434989.db2.gz VVQLPMWCDDBMBL-GOSISDBHSA-N 1 1 424.570 3.407 50 0 HGAAMO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]C[C@@H](O)COCc1ccccc1F ZINC000222310387 568514841 /nfs/dbraw/zinc/51/48/41/568514841.db2.gz PFUQRTJZTMYNFS-WOIUINJBSA-N 1 1 400.538 3.449 50 0 HGAAMO COc1cc(CNC(=O)C2([NH+]3CCN(C)CC3)CCCC2)ccc1OCCC(C)C ZINC000095405507 568605927 /nfs/dbraw/zinc/60/59/27/568605927.db2.gz LMVLNNAAOSUABS-UHFFFAOYSA-N 1 1 417.594 3.297 50 0 HGAAMO CC[C@@H](C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)n1c2ccccc2c2cn[nH]c(=O)c21 ZINC000020416480 568606129 /nfs/dbraw/zinc/60/61/29/568606129.db2.gz RYUKCKMMZBZOQH-QKLQHJQFSA-N 1 1 423.561 3.313 50 0 HGAAMO CC(C)c1ccc(-c2noc(CCC(=O)NCCCC[N@H+]3CCC[C@H]3CO)n2)cc1 ZINC000095447916 568612352 /nfs/dbraw/zinc/61/23/52/568612352.db2.gz IQUFVPOPSDAEKJ-FQEVSTJZSA-N 1 1 414.550 3.146 50 0 HGAAMO CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)N2CC[NH+](C)CC2)[C@@H]1c1cccs1 ZINC000020508294 568620172 /nfs/dbraw/zinc/62/01/72/568620172.db2.gz RKGILORZWVCPSG-RTWAWAEBSA-N 1 1 411.571 3.459 50 0 HGAAMO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)N2CC[NH+](C)CC2)[C@@H]1c1cccs1 ZINC000020508290 568620227 /nfs/dbraw/zinc/62/02/27/568620227.db2.gz RKGILORZWVCPSG-SFTDATJTSA-N 1 1 411.571 3.459 50 0 HGAAMO Cc1c(Cl)cccc1NC(=S)N1CCC([N@@H+](C)CCN2CCOCC2)CC1 ZINC000020733904 568641087 /nfs/dbraw/zinc/64/10/87/568641087.db2.gz LNSZWYNSEWBYLH-UHFFFAOYSA-N 1 1 411.015 3.074 50 0 HGAAMO Cc1cc(C)n(Cc2c(C)onc2C(=O)NC[C@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)n1 ZINC000020994059 568656313 /nfs/dbraw/zinc/65/63/13/568656313.db2.gz CLGDMKSBVPGQIG-OAQYLSRUSA-N 1 1 421.545 3.405 50 0 HGAAMO CC(C)C(=O)Nc1cccc(NC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC000095975224 568672414 /nfs/dbraw/zinc/67/24/14/568672414.db2.gz LDNKKWUOHKUKQX-WCRBZPEASA-N 1 1 413.566 3.056 50 0 HGAAMO CO[C@H](C[NH+]1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1)c1ccc(Cl)cc1 ZINC000225769698 568672804 /nfs/dbraw/zinc/67/28/04/568672804.db2.gz GICNUFWTFOYAJK-BBTUJRGHSA-N 1 1 407.986 3.150 50 0 HGAAMO CCC[C@H]1CN(C(=O)[C@@H]2CCn3c(cnc3C3CCCCC3)C2)CC[N@H+]1CCOC ZINC000095993276 568678151 /nfs/dbraw/zinc/67/81/51/568678151.db2.gz VMOHIQYDZLSLFW-RTWAWAEBSA-N 1 1 416.610 3.453 50 0 HGAAMO CNc1nc(NCC2CC[NH+](Cc3nc(C)c(C)o3)CC2)ncc1Br ZINC000096011579 568684172 /nfs/dbraw/zinc/68/41/72/568684172.db2.gz NEMAKQXDKDXKBZ-UHFFFAOYSA-N 1 1 409.332 3.210 50 0 HGAAMO CCOC(=O)c1cnn(-c2cccc(NC(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)c2)c1C ZINC000229757246 568715202 /nfs/dbraw/zinc/71/52/02/568715202.db2.gz NGKRZSJVLWQIOY-UXHICEINSA-N 1 1 411.506 3.106 50 0 HGAAMO O=C(C[N@H+]1CCC[C@@H]2CCCC[C@H]21)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000229990630 568716615 /nfs/dbraw/zinc/71/66/15/568716615.db2.gz ZQZFAMGYCSJFQO-FXAWDEMLSA-N 1 1 405.564 3.064 50 0 HGAAMO CCOC(=O)C1C(C[NH2+][C@H](C)CCc2ccccc2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000085993825 568745109 /nfs/dbraw/zinc/74/51/09/568745109.db2.gz SLDFDPJKNPNUES-VGOFRKELSA-N 1 1 407.514 3.469 50 0 HGAAMO Cc1ccc(Cl)cc1N1CC[C@@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000096493792 568755134 /nfs/dbraw/zinc/75/51/34/568755134.db2.gz XHQQFNPBSOSLID-FQEVSTJZSA-N 1 1 411.933 3.346 50 0 HGAAMO O=C(COc1ccc2ccccc2c1)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000056997235 568822428 /nfs/dbraw/zinc/82/24/28/568822428.db2.gz OLYAQTHQBSTDEJ-UHFFFAOYSA-N 1 1 407.489 3.296 50 0 HGAAMO COc1ccc2c(c1)c(C(=O)C[NH+]1CCC(C(N)=O)CC1)c(C)n2Cc1ccccc1 ZINC000057063799 568824012 /nfs/dbraw/zinc/82/40/12/568824012.db2.gz WYRSGNATQCDGKN-UHFFFAOYSA-N 1 1 419.525 3.387 50 0 HGAAMO NC(=O)[C@@H]1CN(c2nc(-c3cccs3)nc3scc(-c4ccccc4)c32)CC[NH2+]1 ZINC000057290285 568825884 /nfs/dbraw/zinc/82/58/84/568825884.db2.gz AOOAJLXZDQFSOI-HNNXBMFYSA-N 1 1 421.551 3.350 50 0 HGAAMO COc1ccc(OC)c([C@H]2CCC[N@@H+]2[C@H](C(=O)N2CCOCC2)c2ccccc2)c1 ZINC000057369310 568829447 /nfs/dbraw/zinc/82/94/47/568829447.db2.gz AMTVJXRHFUKFRC-GGAORHGYSA-N 1 1 410.514 3.441 50 0 HGAAMO COc1ccc(OC)c([C@H]2CCC[N@H+]2[C@H](C(=O)N2CCOCC2)c2ccccc2)c1 ZINC000057369310 568829449 /nfs/dbraw/zinc/82/94/49/568829449.db2.gz AMTVJXRHFUKFRC-GGAORHGYSA-N 1 1 410.514 3.441 50 0 HGAAMO CCOC(=O)C1=C(C[N@H+](CC)Cc2ccccc2)NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000057414704 568833733 /nfs/dbraw/zinc/83/37/33/568833733.db2.gz JHIMZJADXKPJKZ-QFIPXVFZSA-N 1 1 423.513 3.388 50 0 HGAAMO CCOC(=O)C1=C(C[N@@H+](CC)Cc2ccccc2)NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000057414704 568833734 /nfs/dbraw/zinc/83/37/34/568833734.db2.gz JHIMZJADXKPJKZ-QFIPXVFZSA-N 1 1 423.513 3.388 50 0 HGAAMO CCOC(=O)C1C(C[N@H+](CC)Cc2ccccc2)=NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000057414704 568833736 /nfs/dbraw/zinc/83/37/36/568833736.db2.gz JHIMZJADXKPJKZ-QFIPXVFZSA-N 1 1 423.513 3.388 50 0 HGAAMO CCOC(=O)C1C(C[N@@H+](CC)Cc2ccccc2)=NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000057414704 568833737 /nfs/dbraw/zinc/83/37/37/568833737.db2.gz JHIMZJADXKPJKZ-QFIPXVFZSA-N 1 1 423.513 3.388 50 0 HGAAMO CCOC(=O)C1=C(C[N@H+](CC)Cc2ccccc2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000057478329 568839727 /nfs/dbraw/zinc/83/97/27/568839727.db2.gz RUTTZCABZYUCRO-JOCHJYFZSA-N 1 1 423.513 3.388 50 0 HGAAMO CCOC(=O)C1=C(C[N@@H+](CC)Cc2ccccc2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000057478329 568839728 /nfs/dbraw/zinc/83/97/28/568839728.db2.gz RUTTZCABZYUCRO-JOCHJYFZSA-N 1 1 423.513 3.388 50 0 HGAAMO CCOC(=O)C1C(C[N@H+](CC)Cc2ccccc2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000057478329 568839729 /nfs/dbraw/zinc/83/97/29/568839729.db2.gz RUTTZCABZYUCRO-JOCHJYFZSA-N 1 1 423.513 3.388 50 0 HGAAMO CCOC(=O)C1C(C[N@@H+](CC)Cc2ccccc2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000057478329 568839730 /nfs/dbraw/zinc/83/97/30/568839730.db2.gz RUTTZCABZYUCRO-JOCHJYFZSA-N 1 1 423.513 3.388 50 0 HGAAMO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@@H+]2[C@]32C(=O)Nc3c2cccc3Cl)cc1 ZINC000230201412 568854733 /nfs/dbraw/zinc/85/47/33/568854733.db2.gz IPEAJXZTUBESII-FXKZBUDASA-N 1 1 421.884 3.080 50 0 HGAAMO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@H+]2[C@]32C(=O)Nc3c2cccc3Cl)cc1 ZINC000230201412 568854736 /nfs/dbraw/zinc/85/47/36/568854736.db2.gz IPEAJXZTUBESII-FXKZBUDASA-N 1 1 421.884 3.080 50 0 HGAAMO COc1ccc(-c2cc(C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@@H]34)n(C)n2)c(OC)c1 ZINC000230203444 568854965 /nfs/dbraw/zinc/85/49/65/568854965.db2.gz MQBBIEKHQOAWIV-JXFKEZNVSA-N 1 1 412.534 3.099 50 0 biogenic HGAAMO Cn1cc(CC(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c2ccccc21 ZINC000058028887 568878035 /nfs/dbraw/zinc/87/80/35/568878035.db2.gz ASGRMMSYPQETEZ-UHFFFAOYSA-N 1 1 410.949 3.313 50 0 HGAAMO [NH2+]=C1Nc2nc3cc4c(cc3n2[C@H](c2ccccc2Br)N1)OCCCO4 ZINC000012630194 568883218 /nfs/dbraw/zinc/88/32/18/568883218.db2.gz UYYNFVPCLAVIQY-MRXNPFEDSA-N 1 1 414.263 3.056 50 0 HGAAMO CCOC(=O)C1=C(C[NH+]2CCC(Cc3ccccc3)CC2)NC(=O)N[C@H]1c1ccco1 ZINC000015377531 568884399 /nfs/dbraw/zinc/88/43/99/568884399.db2.gz MTUNGJAWFJUHFC-QFIPXVFZSA-N 1 1 423.513 3.405 50 0 HGAAMO O=C(NCCCc1nc2ccc(Cl)cc2[nH]1)C1CC[NH+](C2CCOCC2)CC1 ZINC000670451838 568926520 /nfs/dbraw/zinc/92/65/20/568926520.db2.gz AYPVMFJMTDRFDT-UHFFFAOYSA-N 1 1 404.942 3.156 50 0 HGAAMO COc1ccc(OC)c([C@@H](O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)c1 ZINC000004029246 568934303 /nfs/dbraw/zinc/93/43/03/568934303.db2.gz GREBKDKZYPDUEK-SJORKVTESA-N 1 1 401.459 3.094 50 0 biogenic HGAAMO COc1ccc(OC)c([C@@H](O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)c1 ZINC000004029246 568934306 /nfs/dbraw/zinc/93/43/06/568934306.db2.gz GREBKDKZYPDUEK-SJORKVTESA-N 1 1 401.459 3.094 50 0 biogenic HGAAMO COC(=O)c1c2c(sc1NC(=O)c1ccc(C(=O)OC)cc1)C[N@H+](C(C)C)CC2 ZINC000004086933 568940838 /nfs/dbraw/zinc/94/08/38/568940838.db2.gz CYEHUMQSFOSSHA-UHFFFAOYSA-N 1 1 416.499 3.340 50 0 HGAAMO COC(=O)c1c2c(sc1NC(=O)c1ccc(C(=O)OC)cc1)C[N@@H+](C(C)C)CC2 ZINC000004086933 568940839 /nfs/dbraw/zinc/94/08/39/568940839.db2.gz CYEHUMQSFOSSHA-UHFFFAOYSA-N 1 1 416.499 3.340 50 0 HGAAMO Cc1ccc(C(=O)NCC(=O)Nc2nc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cs2)cc1 ZINC000012783491 568959072 /nfs/dbraw/zinc/95/90/72/568959072.db2.gz RYPZKVJXHBLMLG-HZPDHXFCSA-N 1 1 400.548 3.298 50 0 HGAAMO CCOc1ccccc1CN1CC[N@H+](Cc2ccc(NC(C)=O)cc2)C[C@H]1CCO ZINC000104638465 569008047 /nfs/dbraw/zinc/00/80/47/569008047.db2.gz STDBWQHNQMVCPY-HSZRJFAPSA-N 1 1 411.546 3.113 50 0 HGAAMO CCOc1ccccc1CN1CC[N@@H+](Cc2ccc(NC(C)=O)cc2)C[C@H]1CCO ZINC000104638465 569008048 /nfs/dbraw/zinc/00/80/48/569008048.db2.gz STDBWQHNQMVCPY-HSZRJFAPSA-N 1 1 411.546 3.113 50 0 HGAAMO COc1ccc(CN2CC[N@H+](Cc3ccc(OC)c(C)c3)[C@H](CCO)C2)c(F)c1 ZINC000104308577 569008250 /nfs/dbraw/zinc/00/82/50/569008250.db2.gz CSBQLAKPQNIFKS-HXUWFJFHSA-N 1 1 402.510 3.220 50 0 HGAAMO COc1ccc(CN2CC[N@@H+](Cc3ccc(OC)c(C)c3)[C@H](CCO)C2)c(F)c1 ZINC000104308577 569008251 /nfs/dbraw/zinc/00/82/51/569008251.db2.gz CSBQLAKPQNIFKS-HXUWFJFHSA-N 1 1 402.510 3.220 50 0 HGAAMO CCOc1ccccc1C[N@@H+]1CCN(Cc2ccc(F)c(OC)c2)C[C@H]1CCO ZINC000104349762 569008354 /nfs/dbraw/zinc/00/83/54/569008354.db2.gz ZKJBHULOYRHTNN-HXUWFJFHSA-N 1 1 402.510 3.302 50 0 HGAAMO CCOc1ccccc1C[N@H+]1CCN(Cc2ccc(F)c(OC)c2)C[C@H]1CCO ZINC000104349762 569008355 /nfs/dbraw/zinc/00/83/55/569008355.db2.gz ZKJBHULOYRHTNN-HXUWFJFHSA-N 1 1 402.510 3.302 50 0 HGAAMO CCOc1ccccc1CN1CC[N@@H+](Cc2ccc(-n3cccn3)cc2)C[C@H]1CCO ZINC000104508750 569008958 /nfs/dbraw/zinc/00/89/58/569008958.db2.gz BVFBHTWIIPUHAN-XMMPIXPASA-N 1 1 420.557 3.340 50 0 HGAAMO O=C(Cc1csc(NC(=O)c2ccccc2)n1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012909075 569021706 /nfs/dbraw/zinc/02/17/06/569021706.db2.gz CGVWRZIYFQLRCT-IBGZPJMESA-N 1 1 420.538 3.329 50 0 HGAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)c1cc(-c2ccsc2)n[nH]1 ZINC000409413123 569051503 /nfs/dbraw/zinc/05/15/03/569051503.db2.gz DBXANTGRDZMASA-OXJNMPFZSA-N 1 1 402.564 3.491 50 0 biogenic HGAAMO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1cc(-c2ccsc2)[nH]n1 ZINC000409413123 569051504 /nfs/dbraw/zinc/05/15/04/569051504.db2.gz DBXANTGRDZMASA-OXJNMPFZSA-N 1 1 402.564 3.491 50 0 biogenic HGAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)c1cc(-c2ccsc2)[nH]n1 ZINC000409413123 569051505 /nfs/dbraw/zinc/05/15/05/569051505.db2.gz DBXANTGRDZMASA-OXJNMPFZSA-N 1 1 402.564 3.491 50 0 biogenic HGAAMO C[N@H+]1CCN(c2nc3nonc3nc2NCc2cccs2)C[C@H]1c1ccccc1 ZINC000244811606 569055206 /nfs/dbraw/zinc/05/52/06/569055206.db2.gz SHQWERWRLIPDQT-INIZCTEOSA-N 1 1 407.503 3.180 50 0 HGAAMO CCCCNC(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2[C@H]1c1cc(OC)ccc1OC ZINC000245311951 569055826 /nfs/dbraw/zinc/05/58/26/569055826.db2.gz QUMWUHGCJYLWBL-UEVCKROQSA-N 1 1 404.551 3.288 50 0 HGAAMO CCCCNC(=O)C[N@H+]1CC[C@]2(O)CCCC[C@@H]2[C@H]1c1cc(OC)ccc1OC ZINC000245311951 569055827 /nfs/dbraw/zinc/05/58/27/569055827.db2.gz QUMWUHGCJYLWBL-UEVCKROQSA-N 1 1 404.551 3.288 50 0 HGAAMO CCc1cccc(-n2nnc(C(=O)N3CC[NH+](C(C)C)CC3)c2-c2ccncc2)c1 ZINC000064746829 569088353 /nfs/dbraw/zinc/08/83/53/569088353.db2.gz JBMMSUTXJOJJHZ-UHFFFAOYSA-N 1 1 404.518 3.058 50 0 HGAAMO COc1ccc(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@H](O)COCC(C)C)cc1 ZINC000036102324 569091807 /nfs/dbraw/zinc/09/18/07/569091807.db2.gz DWBZVXQFUKHYOD-FQEVSTJZSA-N 1 1 401.503 3.460 50 0 HGAAMO COC[C@@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2F)=NO1 ZINC000036146663 569098786 /nfs/dbraw/zinc/09/87/86/569098786.db2.gz RDOBANNLIZKTNV-ROUUACIJSA-N 1 1 406.885 3.482 50 0 HGAAMO COc1cccc(C[N@@H+]2CC=C(C(=O)N3CCN(c4ccc(C)cc4)CC3)CC2)c1 ZINC000064818010 569101138 /nfs/dbraw/zinc/10/11/38/569101138.db2.gz UGNHKCZRGHPMFU-UHFFFAOYSA-N 1 1 405.542 3.485 50 0 HGAAMO COc1cccc(C[N@@H+]2CC=C(C(=O)N3CCN(c4ccccc4C)CC3)CC2)c1 ZINC000064818009 569101199 /nfs/dbraw/zinc/10/11/99/569101199.db2.gz AZGZYCBDGGPZIN-UHFFFAOYSA-N 1 1 405.542 3.485 50 0 HGAAMO O=C([C@@H](C1CCCC1)[NH+]1CCN(C(=O)C2CCC2)CC1)N1CCc2ccccc2C1 ZINC000036250502 569119383 /nfs/dbraw/zinc/11/93/83/569119383.db2.gz FZINJQXSDLONIM-HSZRJFAPSA-N 1 1 409.574 3.074 50 0 HGAAMO C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[N@H+](C)Cc1ccc(F)cc1 ZINC000006786851 569121953 /nfs/dbraw/zinc/12/19/53/569121953.db2.gz TYZBRDJWHVWPTI-INIZCTEOSA-N 1 1 419.522 3.069 50 0 HGAAMO C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[N@@H+](C)Cc1ccc(F)cc1 ZINC000006786851 569121955 /nfs/dbraw/zinc/12/19/55/569121955.db2.gz TYZBRDJWHVWPTI-INIZCTEOSA-N 1 1 419.522 3.069 50 0 HGAAMO O=C(c1ccc(I)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019372080 569124752 /nfs/dbraw/zinc/12/47/52/569124752.db2.gz WBGYLBFXKRMKDV-UHFFFAOYSA-N 1 1 406.267 3.249 50 0 HGAAMO Cc1nn([C@H](C)C(=O)NCC[N@H+]2CCCC[C@@H]2C)c(=O)c2c3ccccc3sc21 ZINC000006799191 569126251 /nfs/dbraw/zinc/12/62/51/569126251.db2.gz PAAARZPLPHHPHR-GOEBONIOSA-N 1 1 412.559 3.471 50 0 HGAAMO COc1ccc(NC(=O)N2CC[NH+]([C@H](C(=O)N3CCCC3)C3CCCC3)CC2)cc1 ZINC000036310668 569131767 /nfs/dbraw/zinc/13/17/67/569131767.db2.gz KVUAETLLRYRBGL-NRFANRHFSA-N 1 1 414.550 3.026 50 0 HGAAMO CCCN(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)C(=S)NCC ZINC000036312901 569133099 /nfs/dbraw/zinc/13/30/99/569133099.db2.gz YALWMNMYPSEING-UHFFFAOYSA-N 1 1 419.570 3.339 50 0 HGAAMO Cc1ccc(C2=NN(C(=O)CN3CC[NH+](C)CC3)[C@H](c3ccccc3F)C2)c(C)c1 ZINC000036345493 569143178 /nfs/dbraw/zinc/14/31/78/569143178.db2.gz RKEPVGYWHFFSJV-QHCPKHFHSA-N 1 1 408.521 3.368 50 0 HGAAMO CCCC1N=NC(=S)N1CC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000036391248 569166293 /nfs/dbraw/zinc/16/62/93/569166293.db2.gz CAWLQCNYQPQYCC-INIZCTEOSA-N 1 1 401.580 3.068 50 0 HGAAMO Cc1ccc(-c2csc(-c3cccn3CC(=O)NCCC[NH+]3CCOCC3)n2)cc1 ZINC000065114048 569180925 /nfs/dbraw/zinc/18/09/25/569180925.db2.gz VUIGVCXZFFXHIZ-UHFFFAOYSA-N 1 1 424.570 3.426 50 0 HGAAMO Cc1ccc(-c2cc3c(=O)n(Cc4noc(C[N@H+]5CCCC[C@@H]5C)n4)ccn3n2)cc1 ZINC000065235789 569202571 /nfs/dbraw/zinc/20/25/71/569202571.db2.gz ZXADPEADNYKSGM-KRWDZBQOSA-N 1 1 418.501 3.277 50 0 HGAAMO Cc1ccc(-c2cc3c(=O)n(Cc4noc(C[N@@H+]5CCCC[C@@H]5C)n4)ccn3n2)cc1 ZINC000065235789 569202572 /nfs/dbraw/zinc/20/25/72/569202572.db2.gz ZXADPEADNYKSGM-KRWDZBQOSA-N 1 1 418.501 3.277 50 0 HGAAMO CCn1ccc(-c2cc(C(=O)N3CC[NH+](C)CC3)c3c(n2)onc3-c2ccccc2)n1 ZINC000036618465 569210112 /nfs/dbraw/zinc/21/01/12/569210112.db2.gz MRJPSPJWOJMFAJ-UHFFFAOYSA-N 1 1 416.485 3.161 50 0 HGAAMO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1cn2ccnc(-c3ccc(F)cc3)c2n1 ZINC000065274536 569215251 /nfs/dbraw/zinc/21/52/51/569215251.db2.gz DLZIMCGGANUVOJ-UHFFFAOYSA-N 1 1 415.472 3.324 50 0 HGAAMO O=C(NCC[N@H+]1CCc2ccccc2C1)c1cn2ccnc(-c3ccc(F)cc3)c2n1 ZINC000065274536 569215252 /nfs/dbraw/zinc/21/52/52/569215252.db2.gz DLZIMCGGANUVOJ-UHFFFAOYSA-N 1 1 415.472 3.324 50 0 HGAAMO COC(=O)c1ccc(NC(=O)C[NH+]2CCC(Cn3c(C)nc4ccccc43)CC2)cc1 ZINC000036708911 569223872 /nfs/dbraw/zinc/22/38/72/569223872.db2.gz BSRGRVBUTXXDNS-UHFFFAOYSA-N 1 1 420.513 3.482 50 0 HGAAMO COc1ccc(CC(=O)N2CC[NH+](Cc3cn(C)c4ccccc34)CC2)cc1OC ZINC000065330071 569224994 /nfs/dbraw/zinc/22/49/94/569224994.db2.gz XLZRAVIWOQFYEV-UHFFFAOYSA-N 1 1 407.514 3.082 50 0 HGAAMO O=C(NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000065529601 569233890 /nfs/dbraw/zinc/23/38/90/569233890.db2.gz GVHGNIFAAQTNGQ-OALUTQOASA-N 1 1 414.500 3.365 50 0 HGAAMO CC(C)(Oc1ccc(F)cc1)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000170613591 569246897 /nfs/dbraw/zinc/24/68/97/569246897.db2.gz FGRKZRPEVAULRU-NRFANRHFSA-N 1 1 400.494 3.390 50 0 HGAAMO O=C(C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)NC[C@@H]1COc2ccccc2O1 ZINC000007554121 569249181 /nfs/dbraw/zinc/24/91/81/569249181.db2.gz TYNVYXYIZKGDFU-IAGOWNOFSA-N 1 1 423.538 3.432 50 0 HGAAMO O=C(C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)NC[C@@H]1COc2ccccc2O1 ZINC000007554121 569249182 /nfs/dbraw/zinc/24/91/82/569249182.db2.gz TYNVYXYIZKGDFU-IAGOWNOFSA-N 1 1 423.538 3.432 50 0 HGAAMO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[N@H+](C)C1CCCCC1 ZINC000089644372 569261549 /nfs/dbraw/zinc/26/15/49/569261549.db2.gz NOAGDOSHXCECPG-UHFFFAOYSA-N 1 1 407.580 3.373 50 0 HGAAMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(Cc2cc(Br)ccc2Cl)CC1 ZINC000089768233 569263658 /nfs/dbraw/zinc/26/36/58/569263658.db2.gz HGLHRJRYZNSWIB-INIZCTEOSA-N 1 1 400.748 3.017 50 0 HGAAMO COc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)c4ccccc4)CC3)n2)cc1 ZINC000017012537 569271607 /nfs/dbraw/zinc/27/16/07/569271607.db2.gz JMHHJOLLYJKZMY-UHFFFAOYSA-N 1 1 403.486 3.500 50 0 HGAAMO COc1ccc(-c2cc(C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@@H]34)n(C)n2)cc1OC ZINC000252569035 569294311 /nfs/dbraw/zinc/29/43/11/569294311.db2.gz VUVUAKGBDKCXAB-HKUYNNGSSA-N 1 1 412.534 3.099 50 0 HGAAMO CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)C[N@H+](C)Cc2ccccc2)c1 ZINC000007785830 569310357 /nfs/dbraw/zinc/31/03/57/569310357.db2.gz PSIHJQRGQNCXAQ-UHFFFAOYSA-N 1 1 403.548 3.096 50 0 HGAAMO CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)C[N@@H+](C)Cc2ccccc2)c1 ZINC000007785830 569310358 /nfs/dbraw/zinc/31/03/58/569310358.db2.gz PSIHJQRGQNCXAQ-UHFFFAOYSA-N 1 1 403.548 3.096 50 0 HGAAMO Cn1cccc1[C@@H]1CCC[N@@H+]1CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000007854841 569314787 /nfs/dbraw/zinc/31/47/87/569314787.db2.gz GKDDWKHOCGDESI-SFHVURJKSA-N 1 1 418.423 3.400 50 0 HGAAMO Cn1cccc1[C@@H]1CCC[N@H+]1CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000007854841 569314788 /nfs/dbraw/zinc/31/47/88/569314788.db2.gz GKDDWKHOCGDESI-SFHVURJKSA-N 1 1 418.423 3.400 50 0 HGAAMO CC(C)C[NH+]1CCN([C@H]2CCOC3(CCN(C(=O)NC4CCCCC4)CC3)C2)CC1 ZINC000581819745 569320740 /nfs/dbraw/zinc/32/07/40/569320740.db2.gz HNFYDLPIMNZPEP-QFIPXVFZSA-N 1 1 420.642 3.316 50 0 HGAAMO CC(C)C[NH+]1CCN([C@@H]2CCOC3(CCN(C(=O)C4CCCCC4)CC3)C2)CC1 ZINC000581820220 569321168 /nfs/dbraw/zinc/32/11/68/569321168.db2.gz YRYGBGZIWBKZAT-JOCHJYFZSA-N 1 1 405.627 3.381 50 0 HGAAMO COc1ccc(OC)c([C@H](O)C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)c1 ZINC000012660492 569402563 /nfs/dbraw/zinc/40/25/63/569402563.db2.gz GREBKDKZYPDUEK-DLBZAZTESA-N 1 1 401.459 3.094 50 0 biogenic HGAAMO COc1ccc(OC)c([C@H](O)C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)c1 ZINC000012660492 569402564 /nfs/dbraw/zinc/40/25/64/569402564.db2.gz GREBKDKZYPDUEK-DLBZAZTESA-N 1 1 401.459 3.094 50 0 biogenic HGAAMO CC(=O)Nc1cc(C(=O)N2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1C ZINC000079022390 569424495 /nfs/dbraw/zinc/42/44/95/569424495.db2.gz NHCJYOOQAJHWBR-HDICACEKSA-N 1 1 401.551 3.305 50 0 HGAAMO CCc1ccc2[nH]c(C)c(C[NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)c(=O)c2c1 ZINC000019793698 569430055 /nfs/dbraw/zinc/43/00/55/569430055.db2.gz PSASNBSUHVPUIM-UHFFFAOYSA-N 1 1 419.525 3.445 50 0 HGAAMO O=C(c1cccc2ccccc21)N1CC[NH+](C[C@@H](O)COCc2ccccc2)CC1 ZINC000040062585 571147810 /nfs/dbraw/zinc/14/78/10/571147810.db2.gz VINWIEQDORDJLR-JOCHJYFZSA-N 1 1 404.510 3.175 50 0 HGAAMO CCOc1cc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)ccc1OC(F)F ZINC000040086161 571156824 /nfs/dbraw/zinc/15/68/24/571156824.db2.gz BEWBRFSJNCAAJP-CYBMUJFWSA-N 1 1 421.444 3.245 50 0 HGAAMO CCOc1cc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)ccc1OC(F)F ZINC000040086161 571156826 /nfs/dbraw/zinc/15/68/26/571156826.db2.gz BEWBRFSJNCAAJP-CYBMUJFWSA-N 1 1 421.444 3.245 50 0 HGAAMO CN1CC[NH+](Cc2ccccc2CNC(=O)Cc2ccc(Br)cc2)CC1 ZINC000040089776 571159794 /nfs/dbraw/zinc/15/97/94/571159794.db2.gz GPRPPTOKLFHYDT-UHFFFAOYSA-N 1 1 416.363 3.055 50 0 HGAAMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CCN1C(=O)c2ccccc2C1=O ZINC000040112330 571170618 /nfs/dbraw/zinc/17/06/18/571170618.db2.gz KZDQYZPXIFGDPV-GOSISDBHSA-N 1 1 419.525 3.364 50 0 HGAAMO O=C(C[N@@H+]1CCC[C@H](C(=O)Nc2ccccn2)C1)Nc1ccc(OC(F)(F)F)cc1 ZINC000040149564 571196904 /nfs/dbraw/zinc/19/69/04/571196904.db2.gz QWVDCVRUYKQARR-AWEZNQCLSA-N 1 1 422.407 3.269 50 0 HGAAMO O=C(C[N@H+]1CCC[C@H](C(=O)Nc2ccccn2)C1)Nc1ccc(OC(F)(F)F)cc1 ZINC000040149564 571196906 /nfs/dbraw/zinc/19/69/06/571196906.db2.gz QWVDCVRUYKQARR-AWEZNQCLSA-N 1 1 422.407 3.269 50 0 HGAAMO Cc1nn(C)c2nc(C)cc(C(=O)N3CC[NH+](CCSc4ccccc4)CC3)c12 ZINC000040150904 571199091 /nfs/dbraw/zinc/19/90/91/571199091.db2.gz NRHPPWOMFNBKQS-UHFFFAOYSA-N 1 1 409.559 3.135 50 0 HGAAMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCCC1 ZINC000040156066 571203264 /nfs/dbraw/zinc/20/32/64/571203264.db2.gz CDDVKCDRQLFNHI-MRXNPFEDSA-N 1 1 407.518 3.084 50 0 HGAAMO O=C(C[NH+]1CCC(C(=O)N2CCCCCC2)CC1)Nc1ccc(N2CCCC2)cc1 ZINC000009117726 571224569 /nfs/dbraw/zinc/22/45/69/571224569.db2.gz XYNXTQZBBDYOFO-UHFFFAOYSA-N 1 1 412.578 3.340 50 0 HGAAMO Cc1cc(=O)n2c(n1)NC(N1CCC([NH+]3CCCCC3)CC1)=N[C@H]2[C@H]1CC=CCC1 ZINC000009289505 571245402 /nfs/dbraw/zinc/24/54/02/571245402.db2.gz GSIKTTRSOHBPIU-GHTZIAJQSA-N 1 1 410.566 3.138 50 0 HGAAMO CCOC(=O)CN(C(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000010053943 571294587 /nfs/dbraw/zinc/29/45/87/571294587.db2.gz XDTFZOSJVYFGDK-HXUWFJFHSA-N 1 1 424.497 3.191 50 0 HGAAMO CCOC(=O)CN(C(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000010053943 571294588 /nfs/dbraw/zinc/29/45/88/571294588.db2.gz XDTFZOSJVYFGDK-HXUWFJFHSA-N 1 1 424.497 3.191 50 0 HGAAMO Cc1c(C(=O)OC(C)C)sc2[nH]c(C[N@H+](C[C@@H](C)O)C3CCCCC3)nc(=O)c12 ZINC000036207444 571317254 /nfs/dbraw/zinc/31/72/54/571317254.db2.gz UHFGGSAJTUXJRS-CYBMUJFWSA-N 1 1 421.563 3.374 50 0 HGAAMO O=C(C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)N1CCN(c2ccccc2)CC1 ZINC000008310465 132329323 /nfs/dbraw/zinc/32/93/23/132329323.db2.gz SFRMSASJAZHTFI-JOCHJYFZSA-N 1 1 421.541 3.334 50 0 HGAAMO O=C(C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)N1CCN(c2ccccc2)CC1 ZINC000008310465 132329325 /nfs/dbraw/zinc/32/93/25/132329325.db2.gz SFRMSASJAZHTFI-JOCHJYFZSA-N 1 1 421.541 3.334 50 0 HGAAMO C[C@H]1C[C@H](C)C[NH+](Cc2csc(NC(=O)c3ccc(N4CCOCC4)nc3)n2)C1 ZINC000022296762 132474455 /nfs/dbraw/zinc/47/44/55/132474455.db2.gz FBXXHBVNUYDIFB-HOTGVXAUSA-N 1 1 415.563 3.105 50 0 HGAAMO CCN(CC)c1onc(-c2ccccc2)c1C[N@@H+](C[C@H](O)COC)C[C@H]1CCCO1 ZINC000036245899 520937340 /nfs/dbraw/zinc/93/73/40/520937340.db2.gz DQQDVKPTKXHOGV-VQTJNVASSA-N 1 1 417.550 3.176 50 0 HGAAMO CCOc1ccc(C[N@@H+]2CCN(Cc3cccn3-c3cccnc3)C[C@H]2CCO)cc1 ZINC000036385767 520976265 /nfs/dbraw/zinc/97/62/65/520976265.db2.gz YGAXOMXVAAPJNR-HSZRJFAPSA-N 1 1 420.557 3.340 50 0 HGAAMO CCOc1ccc(C[N@H+]2CCN(Cc3cccn3-c3cccnc3)C[C@H]2CCO)cc1 ZINC000036385767 520976273 /nfs/dbraw/zinc/97/62/73/520976273.db2.gz YGAXOMXVAAPJNR-HSZRJFAPSA-N 1 1 420.557 3.340 50 0 HGAAMO C[NH+](C)[C@H](CNC(=O)C1CCN(C(=O)c2cccnc2)CC1)c1ccccc1Cl ZINC000032778274 522068449 /nfs/dbraw/zinc/06/84/49/522068449.db2.gz VCWQHESAHYKIRM-HXUWFJFHSA-N 1 1 414.937 3.006 50 0 HGAAMO Cc1cc(C)n([C@H](C)CC(=O)NCC[NH+]2CCN(c3cc(Cl)ccc3C)CC2)n1 ZINC000020603291 524556664 /nfs/dbraw/zinc/55/66/64/524556664.db2.gz ZUUOKSJOXOIPQS-LJQANCHMSA-N 1 1 417.985 3.351 50 0 HGAAMO Cc1c(NC(=O)CC[N@H+]2CCC[C@@H](C(F)(F)F)C2)c(=O)n(-c2ccccc2)n1C ZINC000032870764 525834203 /nfs/dbraw/zinc/83/42/03/525834203.db2.gz ZHSFTMGSWJQYTF-OAHLLOKOSA-N 1 1 410.440 3.087 50 0 HGAAMO COc1cccc(CN2CCC[C@@]3(CC[N@@H+](Cc4cccc(O)c4)C3)C2=O)c1OC ZINC000072473230 525939456 /nfs/dbraw/zinc/93/94/56/525939456.db2.gz ZGHNUVHHEDNXMJ-DEOSSOPVSA-N 1 1 410.514 3.424 50 0 HGAAMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Cn1ncc2ccccc2c1=O ZINC000032930759 526251920 /nfs/dbraw/zinc/25/19/20/526251920.db2.gz VSDPFXCDPOVPLZ-SFHVURJKSA-N 1 1 404.514 3.087 50 0 HGAAMO CC(C)[NH+]1CCC(C(=O)N2CCC[C@H](N3CCN(c4ccc(F)cc4)CC3)C2)CC1 ZINC000011937962 535144030 /nfs/dbraw/zinc/14/40/30/535144030.db2.gz QPDVYZXIMDGWDQ-QHCPKHFHSA-N 1 1 416.585 3.059 50 0 HGAAMO O=C(NCC[NH+]1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1)c1ccc(F)cc1 ZINC000000537818 557018388 /nfs/dbraw/zinc/01/83/88/557018388.db2.gz NBHPRWLFLUBAIE-UHFFFAOYSA-N 1 1 416.884 3.189 50 0 in-man HGAAMO Cc1ccc2nc(-c3ccc(NC(=O)C[NH+]4CCC(C(N)=O)CC4)cc3)sc2c1 ZINC000000784942 557080023 /nfs/dbraw/zinc/08/00/23/557080023.db2.gz AXFXRKUXWUIMSW-UHFFFAOYSA-N 1 1 408.527 3.408 50 0 HGAAMO Cn1c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2nc1C[NH+]1CCCCC1 ZINC000001428977 557262097 /nfs/dbraw/zinc/26/20/97/557262097.db2.gz VFEQHYAFNZLBOE-UHFFFAOYSA-N 1 1 402.495 3.499 50 0 HGAAMO COc1ccc(NC(=O)CC[N@@H+](C)CCc2ccc(OC)c(OC)c2)c(OC)c1 ZINC000001456201 557267787 /nfs/dbraw/zinc/26/77/87/557267787.db2.gz XLNAKXGHDFMIKR-UHFFFAOYSA-N 1 1 402.491 3.224 50 0 biogenic HGAAMO Cc1cccc(C[NH+]2CCN(Cc3nc(C(=O)NCc4ccccc4)co3)CC2)c1 ZINC000034678000 557365739 /nfs/dbraw/zinc/36/57/39/557365739.db2.gz HXHAMKYZYULNRB-UHFFFAOYSA-N 1 1 404.514 3.231 50 0 HGAAMO Cc1ccc(N2CC[NH+](C[C@@H]3CN(C(=O)Nc4ccccc4)CCO3)CC2)cc1C ZINC000034685887 557388241 /nfs/dbraw/zinc/38/82/41/557388241.db2.gz XWPIDKDJVTXWAO-HSZRJFAPSA-N 1 1 408.546 3.358 50 0 HGAAMO CC[NH+]1CCN(C(=S)c2ccc(OCC(=O)Nc3ccc(OC)cc3)cc2)CC1 ZINC000005060232 557632355 /nfs/dbraw/zinc/63/23/55/557632355.db2.gz DFWYVUZRNCMRAJ-UHFFFAOYSA-N 1 1 413.543 3.026 50 0 HGAAMO CCn1c(C)cc(O)c([C@@H](c2ccc(F)cc2)[NH+]2CCN(c3ccccn3)CC2)c1=O ZINC000022697195 557784022 /nfs/dbraw/zinc/78/40/22/557784022.db2.gz MLJKRYXUERMMDU-HSZRJFAPSA-N 1 1 422.504 3.328 50 0 HGAAMO Cc1ccc(C[N@@H+]2CCc3nnc([C@@H](CC(C)C)NC(=O)c4cccnc4)n3CC2)o1 ZINC000019742113 558262541 /nfs/dbraw/zinc/26/25/41/558262541.db2.gz DYBWFGSGQTVQHS-HXUWFJFHSA-N 1 1 422.533 3.150 50 0 HGAAMO COc1ccc(CN(C)Cc2ccncc2C)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000011665249 558268730 /nfs/dbraw/zinc/26/87/30/558268730.db2.gz OALNVGJPNXJWGU-JOCHJYFZSA-N 1 1 413.562 3.256 50 0 HGAAMO COc1ccc2c(c1)O[C@H](C)C[N@H+](CCC(=O)N[C@@H](c1cccnc1)C(F)(F)F)C2 ZINC000011790202 558277210 /nfs/dbraw/zinc/27/72/10/558277210.db2.gz SWSFBZLAUUIQPF-VLIAUNLRSA-N 1 1 423.435 3.483 50 0 HGAAMO Cc1c[nH]c(CN(C)Cc2cccc(OC[C@@H](O)C[N@@H+](C)C3CCCCC3)c2)n1 ZINC000011819993 558283449 /nfs/dbraw/zinc/28/34/49/558283449.db2.gz UALNFFONHGBELV-NRFANRHFSA-N 1 1 400.567 3.354 50 0 HGAAMO O=C(NCCc1ccncc1)[C@@H]1CCC[N@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000011820574 558283941 /nfs/dbraw/zinc/28/39/41/558283941.db2.gz DXYFXJGCCZNAHE-HSZRJFAPSA-N 1 1 406.574 3.117 50 0 HGAAMO CCn1nc(C)c([C@@H]2C[C@H]3CN(C4Cc5ccccc5C4)C(=O)[C@]34CCC[N@@H+]24)c1C ZINC000011843530 558288478 /nfs/dbraw/zinc/28/84/78/558288478.db2.gz XCCXKASHXYMQQB-XTJBDQBJSA-N 1 1 404.558 3.425 50 0 HGAAMO CC[NH+]1CCN(C(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccc(F)cc2)CC1 ZINC000019908700 558305846 /nfs/dbraw/zinc/30/58/46/558305846.db2.gz SNNAKXGLZAHRDT-UHFFFAOYSA-N 1 1 421.476 3.041 50 0 HGAAMO CC[C@H]1C[N@H+](CCNC(=O)Cc2c(F)cc(F)cc2F)Cc2cc(OC)ccc2O1 ZINC000012099683 558325767 /nfs/dbraw/zinc/32/57/67/558325767.db2.gz SYAXKDUVEGEUFX-INIZCTEOSA-N 1 1 422.447 3.444 50 0 HGAAMO CC[C@H]1C[N@@H+](CCNC(=O)Cc2c(F)cc(F)cc2F)Cc2cc(OC)ccc2O1 ZINC000012099683 558325772 /nfs/dbraw/zinc/32/57/72/558325772.db2.gz SYAXKDUVEGEUFX-INIZCTEOSA-N 1 1 422.447 3.444 50 0 HGAAMO CC(=O)Nc1ccc(N2C(=O)C[C@@H]([NH2+]Cc3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000020149152 558340026 /nfs/dbraw/zinc/34/00/26/558340026.db2.gz OAIBYQINFULFQP-QGZVFWFLSA-N 1 1 406.269 3.374 50 0 HGAAMO Cc1ccc(C)c(-n2cc(C[NH2+]CCN3CCN(C)CC3)c(-c3ccccc3)n2)c1 ZINC000020363632 558358114 /nfs/dbraw/zinc/35/81/14/558358114.db2.gz YTLDGJZMLXPKEH-UHFFFAOYSA-N 1 1 403.574 3.493 50 0 HGAAMO O=C(c1cccc(-n2cnnn2)c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020427725 558362542 /nfs/dbraw/zinc/36/25/42/558362542.db2.gz UNZUMXGWZXHFPW-UHFFFAOYSA-N 1 1 424.508 3.210 50 0 HGAAMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc3nsnc3c2)C1)c1[nH]nc2ccccc21 ZINC000012299666 558369570 /nfs/dbraw/zinc/36/95/70/558369570.db2.gz ZWJVODOORMDZFY-HNNXBMFYSA-N 1 1 406.515 3.210 50 0 HGAAMO COc1ccc(Cc2noc(C[N@@H+]3CCCN(c4ccccc4)CC3)n2)cc1OC ZINC000012307513 558376114 /nfs/dbraw/zinc/37/61/14/558376114.db2.gz YMOIZDSULWVONA-UHFFFAOYSA-N 1 1 408.502 3.390 50 0 HGAAMO COc1ccc(Cc2noc(C[N@H+]3CCCN(c4ccccc4)CC3)n2)cc1OC ZINC000012307513 558376115 /nfs/dbraw/zinc/37/61/15/558376115.db2.gz YMOIZDSULWVONA-UHFFFAOYSA-N 1 1 408.502 3.390 50 0 HGAAMO CCCCn1c(CN(C)C[C@H]2CCC[N@H+]2C)cnc1S(=O)(=O)C1CCCCC1 ZINC000020514631 558382706 /nfs/dbraw/zinc/38/27/06/558382706.db2.gz DYXRVFKRBMEWEH-GOSISDBHSA-N 1 1 410.628 3.316 50 0 HGAAMO CCc1c(C(=O)N2CCc3ccccc3C2)c(=O)cc(C)n1C[C@H]1CCC[N@@H+]1CC ZINC000012452906 558416348 /nfs/dbraw/zinc/41/63/48/558416348.db2.gz HRDSZBIFMOAHDK-OAQYLSRUSA-N 1 1 407.558 3.402 50 0 HGAAMO Cc1ccc(C[N@@H+]2CCc3nnc([C@@H](C)NC(=O)CCc4ccccc4)n3CC2)o1 ZINC000020908434 558421650 /nfs/dbraw/zinc/42/16/50/558421650.db2.gz KFKCGYAQBWHEFJ-GOSISDBHSA-N 1 1 407.518 3.048 50 0 HGAAMO COc1ccc([C@H](CNC(=O)c2cc(=O)c3cc(Cl)ccc3o2)[NH+](C)C)cc1 ZINC000020932304 558424144 /nfs/dbraw/zinc/42/41/44/558424144.db2.gz OUMQDKXLDHQNOV-KRWDZBQOSA-N 1 1 400.862 3.488 50 0 HGAAMO COc1ccc(C[N@H+]2CCN(Cc3ccc(NC(C)=O)cc3)C[C@@H]2CCO)cc1C ZINC000020999009 558427908 /nfs/dbraw/zinc/42/79/08/558427908.db2.gz ZNQBMCRUPKJFPQ-QHCPKHFHSA-N 1 1 411.546 3.031 50 0 HGAAMO COc1ccc(CN2CC[N@H+](Cc3ccc(NC(C)=O)cc3)C[C@@H]2CCO)cc1C ZINC000020999009 558427910 /nfs/dbraw/zinc/42/79/10/558427910.db2.gz ZNQBMCRUPKJFPQ-QHCPKHFHSA-N 1 1 411.546 3.031 50 0 HGAAMO COc1ccc(CN2CC[N@@H+](Cc3ccc(NC(C)=O)cc3)C[C@@H]2CCO)cc1C ZINC000020999009 558427912 /nfs/dbraw/zinc/42/79/12/558427912.db2.gz ZNQBMCRUPKJFPQ-QHCPKHFHSA-N 1 1 411.546 3.031 50 0 HGAAMO OCC[C@@H]1CN(Cc2cccn2-c2ccccn2)CC[N@H+]1CCCc1ccccc1 ZINC000020999522 558428289 /nfs/dbraw/zinc/42/82/89/558428289.db2.gz FLEIRCGQUJPVGX-HSZRJFAPSA-N 1 1 404.558 3.374 50 0 HGAAMO O=C(CNC(=O)c1ccccc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000021004340 558428579 /nfs/dbraw/zinc/42/85/79/558428579.db2.gz OYRNHWXSAYVNOP-UHFFFAOYSA-N 1 1 413.521 3.350 50 0 HGAAMO COc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3ccc(N4CCNC4=O)cc3)C2)cc1F ZINC000012703503 558448785 /nfs/dbraw/zinc/44/87/85/558448785.db2.gz OWUGTWDWTSEWLJ-GOSISDBHSA-N 1 1 411.477 3.459 50 0 HGAAMO O[C@H](COc1ccc(Oc2ccccc2)cc1)C[NH+]1CCN(c2nccs2)CC1 ZINC000012787697 558463605 /nfs/dbraw/zinc/46/36/05/558463605.db2.gz QVPACWIKQHIEJF-SFHVURJKSA-N 1 1 411.527 3.497 50 0 HGAAMO CC(=O)Nc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)cc1 ZINC000012795329 558468259 /nfs/dbraw/zinc/46/82/59/558468259.db2.gz ITKYIHBPSPLISQ-OAHLLOKOSA-N 1 1 424.501 3.028 50 0 HGAAMO Cc1ccc([C@H](CNC(=O)c2cc(=O)c3ccc(C)c(C)c3o2)N2CC[NH+](C)CC2)o1 ZINC000022938444 558527352 /nfs/dbraw/zinc/52/73/52/558527352.db2.gz ZIOGKXLGTFFIIX-IBGZPJMESA-N 1 1 423.513 3.030 50 0 HGAAMO Cc1ccc([C@@H](CNC(=O)c2cc(=O)c3c(C)cc(C)cc3o2)N2CC[NH+](C)CC2)o1 ZINC000022938456 558527434 /nfs/dbraw/zinc/52/74/34/558527434.db2.gz ZZOHPRYQMODKPN-GOSISDBHSA-N 1 1 423.513 3.030 50 0 HGAAMO CC[NH+]1CCN(C(=O)COc2ccc3c(c2)oc(C)c(Oc2ccccc2)c3=O)CC1 ZINC000013682201 558567246 /nfs/dbraw/zinc/56/72/46/558567246.db2.gz OWSABBQZPSETCX-UHFFFAOYSA-N 1 1 422.481 3.437 50 0 HGAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1sc(-c2cc(OC)c(OC)c(OC)c2)nc1C ZINC000013723941 558583520 /nfs/dbraw/zinc/58/35/20/558583520.db2.gz JFSUGZAYAXUPDW-OAHLLOKOSA-N 1 1 419.547 3.358 50 0 HGAAMO CC(=O)N1CCC[C@@H](C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1 ZINC000024061128 558587227 /nfs/dbraw/zinc/58/72/27/558587227.db2.gz PEXPSQKPCGPNHD-HSZRJFAPSA-N 1 1 405.542 3.179 50 0 HGAAMO CCN1C[C@H](C[N@@H+](C)CCCCN2C(=O)c3ccccc3C2=O)Oc2ccccc21 ZINC000024242057 558593106 /nfs/dbraw/zinc/59/31/06/558593106.db2.gz UWYIVKCWRLPDGQ-SFHVURJKSA-N 1 1 407.514 3.282 50 0 HGAAMO CCOC(=O)c1cccc(OC[C@@H](O)C[N@H+](C)Cc2nc3ccccc3s2)c1 ZINC000025233636 558635266 /nfs/dbraw/zinc/63/52/66/558635266.db2.gz VMIKLJFXRFKUNR-INIZCTEOSA-N 1 1 400.500 3.345 50 0 HGAAMO CCOC(=O)c1cccc(OC[C@@H](O)C[N@@H+](C)Cc2nc3ccccc3s2)c1 ZINC000025233636 558635268 /nfs/dbraw/zinc/63/52/68/558635268.db2.gz VMIKLJFXRFKUNR-INIZCTEOSA-N 1 1 400.500 3.345 50 0 HGAAMO Cn1cc(C(=O)N[C@@H]2CCC[N@@H+](CCCc3ccccc3)C2)c(=O)c2ccccc21 ZINC000015070242 558712341 /nfs/dbraw/zinc/71/23/41/558712341.db2.gz JJFOAINPUFYSCH-HXUWFJFHSA-N 1 1 403.526 3.366 50 0 HGAAMO CSCCNC(=O)C1CC[NH+](C2CCN(CCCc3ccccc3)CC2)CC1 ZINC000015074820 558715289 /nfs/dbraw/zinc/71/52/89/558715289.db2.gz YKPBVQXIFJNWKZ-UHFFFAOYSA-N 1 1 403.636 3.275 50 0 HGAAMO O=C(NC[C@H]([C@@H]1CCOC1)[NH+]1CCOCC1)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000029733917 558719397 /nfs/dbraw/zinc/71/93/97/558719397.db2.gz MHCGKCBYLOCQDA-TZRRMPRUSA-N 1 1 423.557 3.007 50 0 HGAAMO COc1cccc(CN(C(=O)C[NH+]2CCC(O)CC2)C23CC4CC(CC(C4)C2)C3)c1 ZINC000015306943 558731471 /nfs/dbraw/zinc/73/14/71/558731471.db2.gz DCKZECXSWOBZIS-UHFFFAOYSA-N 1 1 412.574 3.449 50 0 HGAAMO COCCC[N@H+]1CCCN(Cc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)CC1 ZINC000072308500 558769364 /nfs/dbraw/zinc/76/93/64/558769364.db2.gz SCSCVQQJTVVLDH-UHFFFAOYSA-N 1 1 416.587 3.372 50 0 HGAAMO CCS(=O)(=O)Nc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc1C ZINC000072310089 558779640 /nfs/dbraw/zinc/77/96/40/558779640.db2.gz LZGBXHUVJREZET-FQEVSTJZSA-N 1 1 419.522 3.499 50 0 HGAAMO CCS(=O)(=O)Nc1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc1C ZINC000072310089 558779643 /nfs/dbraw/zinc/77/96/43/558779643.db2.gz LZGBXHUVJREZET-FQEVSTJZSA-N 1 1 419.522 3.499 50 0 HGAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)CCCc1nnc(C(=O)Nc2ccccc2)s1 ZINC000032995315 558809694 /nfs/dbraw/zinc/80/96/94/558809694.db2.gz URDTWCJCPQVZPL-INIZCTEOSA-N 1 1 415.563 3.104 50 0 HGAAMO CCOCc1cc(CN2CC[N@@H+](Cc3cccs3)[C@H](CCO)C2)ccc1OC ZINC000039467185 558821452 /nfs/dbraw/zinc/82/14/52/558821452.db2.gz SCDIFYZTHJNLFX-HXUWFJFHSA-N 1 1 404.576 3.362 50 0 HGAAMO COCc1cc(C[N@@H+]2CCN(Cc3ccccc3F)[C@H](CCO)C2)ccc1OC ZINC000039532259 558822157 /nfs/dbraw/zinc/82/21/57/558822157.db2.gz KIWYGIGDEDXICE-OAQYLSRUSA-N 1 1 402.510 3.050 50 0 HGAAMO COCc1cc(C[N@H+]2CCN(Cc3ccccc3F)[C@H](CCO)C2)ccc1OC ZINC000039532259 558822159 /nfs/dbraw/zinc/82/21/59/558822159.db2.gz KIWYGIGDEDXICE-OAQYLSRUSA-N 1 1 402.510 3.050 50 0 HGAAMO Cc1cc2nc3sc(C(=O)NCCC[N@@H+]4CCC[C@H](C)C4)cc(=O)n3c2cc1C ZINC000033009107 558828348 /nfs/dbraw/zinc/82/83/48/558828348.db2.gz IDONNBYIRNLICF-AWEZNQCLSA-N 1 1 412.559 3.378 50 0 HGAAMO CN(C)c1ncc(C[N@H+]2CCC[C@H](N3CCN(c4ccccc4F)CC3)C2)s1 ZINC000019229095 558853140 /nfs/dbraw/zinc/85/31/40/558853140.db2.gz ZAVMIISQYNFGPZ-KRWDZBQOSA-N 1 1 403.571 3.135 50 0 HGAAMO CC(C)c1ccc(OC[C@H](O)C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000019363091 558876567 /nfs/dbraw/zinc/87/65/67/558876567.db2.gz GSTPRBGSQIQSDD-OAQYLSRUSA-N 1 1 412.530 3.096 50 0 HGAAMO Cc1ncoc1C(=O)N1CCC[C@@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000055328046 558879416 /nfs/dbraw/zinc/87/94/16/558879416.db2.gz IXCLMQHBOOXVKP-GOSISDBHSA-N 1 1 422.451 3.429 50 0 HGAAMO Cc1cc(C(=O)N2CCC[C@@H]([NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)no1 ZINC000055371327 558880430 /nfs/dbraw/zinc/88/04/30/558880430.db2.gz RJXXQAMZVYTJSC-GOSISDBHSA-N 1 1 422.451 3.429 50 0 HGAAMO O=S(=O)(N[C@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ccc2c(c1)OCO2)c1ccccc1 ZINC000058166943 558907141 /nfs/dbraw/zinc/90/71/41/558907141.db2.gz AMPRDAWANTZJSG-NZQKXSOJSA-N 1 1 422.506 3.149 50 0 HGAAMO O=C1C[C@H]([NH+]2CCC(c3nc4ccccc4o3)CC2)C(=O)N1Cc1ccc(F)cc1 ZINC000004722128 558925535 /nfs/dbraw/zinc/92/55/35/558925535.db2.gz HPCYJYGCLKPKIL-IBGZPJMESA-N 1 1 407.445 3.474 50 0 HGAAMO CCOc1ccc(NC(=O)N2CCN(c3cc[nH+]c(N4CCCCC4)n3)CC2)cc1 ZINC000072437004 558980231 /nfs/dbraw/zinc/98/02/31/558980231.db2.gz LXMZUCVZLGUOQY-UHFFFAOYSA-N 1 1 410.522 3.220 50 0 HGAAMO C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000022056411 558986104 /nfs/dbraw/zinc/98/61/04/558986104.db2.gz NHDGPRQUKLTQJY-NZQKXSOJSA-N 1 1 407.558 3.077 50 0 HGAAMO C[C@@H]1C[C@H](C)C[N@@H+](Cc2csc(NC(=O)CCCNC(=O)c3ccco3)n2)C1 ZINC000022294528 558987431 /nfs/dbraw/zinc/98/74/31/558987431.db2.gz JPOBYTVXPVXZFD-GASCZTMLSA-N 1 1 404.536 3.363 50 0 HGAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2csc(NC(=O)CCCNC(=O)c3ccco3)n2)C1 ZINC000022294528 558987433 /nfs/dbraw/zinc/98/74/33/558987433.db2.gz JPOBYTVXPVXZFD-GASCZTMLSA-N 1 1 404.536 3.363 50 0 HGAAMO C/C=C/c1ccc(OC[C@@H](O)C[NH+]2CCN(c3ccccc3F)CC2)c(OC)c1 ZINC000023115559 559012876 /nfs/dbraw/zinc/01/28/76/559012876.db2.gz AQMOEIIUHGUZAU-NAASZUNDSA-N 1 1 400.494 3.429 50 0 HGAAMO O=C(NCCCC[N@@H+]1CCO[C@@H](c2ccccc2)C1)c1cc2ccccc2oc1=O ZINC000023127769 559016132 /nfs/dbraw/zinc/01/61/32/559016132.db2.gz NVJXDHUXMUZDPW-JOCHJYFZSA-N 1 1 406.482 3.377 50 0 HGAAMO O=C(NCCCC[N@H+]1CCO[C@@H](c2ccccc2)C1)c1cc2ccccc2oc1=O ZINC000023127769 559016133 /nfs/dbraw/zinc/01/61/33/559016133.db2.gz NVJXDHUXMUZDPW-JOCHJYFZSA-N 1 1 406.482 3.377 50 0 HGAAMO Cc1ccc(O)c(S(=O)(=O)Nc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)c1 ZINC000072273418 559017954 /nfs/dbraw/zinc/01/79/54/559017954.db2.gz HEUITXROMJJBBY-UHFFFAOYSA-N 1 1 417.531 3.316 50 0 HGAAMO O=C(NCCc1ccccc1)[C@H]1CCC[N@H+](C2CCN(c3ncccc3F)CC2)C1 ZINC000082087818 559037056 /nfs/dbraw/zinc/03/70/56/559037056.db2.gz UQZKXLKSDFPQIJ-FQEVSTJZSA-N 1 1 410.537 3.260 50 0 HGAAMO O=C(NCCc1ccccc1)[C@@H]1CCC[N@H+](C2CCN(C(=O)C3CCCC3)CC2)C1 ZINC000082108396 559038692 /nfs/dbraw/zinc/03/86/92/559038692.db2.gz LHURMXNNWOQZAZ-JOCHJYFZSA-N 1 1 411.590 3.239 50 0 HGAAMO CN(C(=O)[C@H]1CCC[N@H+](C2CCN(CCc3ccccc3)CC2)C1)C1CCOCC1 ZINC000082114560 559038944 /nfs/dbraw/zinc/03/89/44/559038944.db2.gz CSPNHTMKEAVIEQ-QFIPXVFZSA-N 1 1 413.606 3.043 50 0 HGAAMO CC(C)(C)CC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000082120038 559039127 /nfs/dbraw/zinc/03/91/27/559039127.db2.gz IXWUIUHXDLPJKN-OAQYLSRUSA-N 1 1 413.606 3.485 50 0 HGAAMO O=C(NCc1ccccc1F)[C@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082134556 559040079 /nfs/dbraw/zinc/04/00/79/559040079.db2.gz JJDZHJZJXVWGSF-NRFANRHFSA-N 1 1 410.537 3.214 50 0 HGAAMO O=C(NCc1ccc(F)cc1)[C@@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000082148239 559041058 /nfs/dbraw/zinc/04/10/58/559041058.db2.gz FARPVQFUIDSUQY-OAQYLSRUSA-N 1 1 410.537 3.214 50 0 HGAAMO Cc1nnc(CN(C)Cc2ccccc2OC[C@H](O)C[N@@H+](C)C2CCCCC2)o1 ZINC000095517524 559084819 /nfs/dbraw/zinc/08/48/19/559084819.db2.gz REQPLWGMVNOBEY-HXUWFJFHSA-N 1 1 402.539 3.014 50 0 HGAAMO O=C1C[C@@H](N2CC[NH+](Cc3ccccc3)CC2)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000096569059 559111392 /nfs/dbraw/zinc/11/13/92/559111392.db2.gz HBZKWEAMRHBBTG-LJQANCHMSA-N 1 1 418.324 3.443 50 0 HGAAMO O=C(NCCC[NH+]1CCOCC1)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000033401949 559163839 /nfs/dbraw/zinc/16/38/39/559163839.db2.gz SNVOBTFBPRGCRB-UHFFFAOYSA-N 1 1 408.477 3.131 50 0 HGAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)Cn1ncc2c1c1cc(C)ccc1oc2=O ZINC000004961751 559217799 /nfs/dbraw/zinc/21/77/99/559217799.db2.gz KXYUNOWGPBNDJA-KRWDZBQOSA-N 1 1 410.518 3.222 50 0 HGAAMO Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC000247954889 559256517 /nfs/dbraw/zinc/25/65/17/559256517.db2.gz NSFVCQRQGUFABE-BZSNNMDCSA-N 1 1 407.580 3.084 50 0 HGAAMO CCOc1ccc(S(=O)(=O)NC[C@@H](c2cccn2C)[NH+]2CCCCCC2)cc1 ZINC000011897756 559265459 /nfs/dbraw/zinc/26/54/59/559265459.db2.gz DMBZFIOOCHAEQT-NRFANRHFSA-N 1 1 405.564 3.319 50 0 HGAAMO COc1ccc(C(=O)Nc2ccc(-c3ccc(N4CC[NH+](C)CC4)nn3)cc2)cc1 ZINC000005259407 560550994 /nfs/dbraw/zinc/55/09/94/560550994.db2.gz IXPUAJYISCGEJJ-UHFFFAOYSA-N 1 1 403.486 3.156 50 0 HGAAMO O=C(NCc1nc2ccccc2[nH]1)[C@@H]1CCC[N@H+](Cc2nc(-c3cccs3)no2)C1 ZINC000062022934 560567533 /nfs/dbraw/zinc/56/75/33/560567533.db2.gz QLJBOZAOXJEDQN-CQSZACIVSA-N 1 1 422.514 3.203 50 0 HGAAMO O=C(NCc1nc2ccccc2[nH]1)[C@@H]1CCC[N@@H+](Cc2nc(-c3cccs3)no2)C1 ZINC000062022934 560567534 /nfs/dbraw/zinc/56/75/34/560567534.db2.gz QLJBOZAOXJEDQN-CQSZACIVSA-N 1 1 422.514 3.203 50 0 HGAAMO O=C(COc1cc[nH+]c2c1CCCC2)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000207012926 560755895 /nfs/dbraw/zinc/75/58/95/560755895.db2.gz YNFHABOFWORXGO-UHFFFAOYSA-N 1 1 420.435 3.102 50 0 HGAAMO COc1ccc(C[N@@H+]2CCc3c(c(C(=O)N(C)C)nn3Cc3ccccc3)C2)cc1 ZINC000014740674 560756903 /nfs/dbraw/zinc/75/69/03/560756903.db2.gz DJJFKCNJBJZKBC-UHFFFAOYSA-N 1 1 404.514 3.200 50 0 HGAAMO COc1ccc(C[N@H+]2CCc3c(c(C(=O)N(C)C)nn3Cc3ccccc3)C2)cc1 ZINC000014740674 560756904 /nfs/dbraw/zinc/75/69/04/560756904.db2.gz DJJFKCNJBJZKBC-UHFFFAOYSA-N 1 1 404.514 3.200 50 0 HGAAMO O=C(NCc1ccco1)[C@@H]1Cc2ccccc2N2CC[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000104914750 560856556 /nfs/dbraw/zinc/85/65/56/560856556.db2.gz DMJVILRMVFFLMO-ISKFKSNPSA-N 1 1 401.510 3.459 50 0 HGAAMO COC[C@@H](O)C[N@@H+](Cc1ccccc1F)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104984663 560859142 /nfs/dbraw/zinc/85/91/42/560859142.db2.gz SOKAAQBZUXDCPM-RBUKOAKNSA-N 1 1 406.885 3.482 50 0 HGAAMO COC[C@@H](O)C[N@H+](Cc1ccccc1F)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104984663 560859144 /nfs/dbraw/zinc/85/91/44/560859144.db2.gz SOKAAQBZUXDCPM-RBUKOAKNSA-N 1 1 406.885 3.482 50 0 HGAAMO CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CCc3sccc3[C@@H]2c2ccccc2C)CC1 ZINC000105061741 560861312 /nfs/dbraw/zinc/86/13/12/560861312.db2.gz NHZCYZIPAKKYQU-VGSWGCGISA-N 1 1 411.571 3.083 50 0 HGAAMO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+]([C@H](C)C(=O)NCc2ccc(C)cc2)C1 ZINC000106920682 560894552 /nfs/dbraw/zinc/89/45/52/560894552.db2.gz YAYOMZWHQGTVCH-SJLPKXTDSA-N 1 1 413.484 3.123 50 0 HGAAMO CCn1c(C)cc(O)c([C@H](c2cccnc2)[NH+]2CCN(c3ccc(F)cc3)CC2)c1=O ZINC000022697473 568415463 /nfs/dbraw/zinc/41/54/63/568415463.db2.gz YJAVGQLCWXPTAB-QHCPKHFHSA-N 1 1 422.504 3.328 50 0 HGAAMO CC(C)CCNC(=O)C1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CC1 ZINC000048302793 568437785 /nfs/dbraw/zinc/43/77/85/568437785.db2.gz OKUBLIRUCSFRJG-OAQYLSRUSA-N 1 1 417.569 3.439 50 0 HGAAMO COc1cccc([C@@H](CNS(=O)(=O)c2ccccc2OC(F)(F)F)[NH+](C)C)c1 ZINC000048325213 568438549 /nfs/dbraw/zinc/43/85/49/568438549.db2.gz NVPARFHGOXSQJB-OAHLLOKOSA-N 1 1 418.437 3.175 50 0 HGAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)Cn2ncc3ccccc3c2=O)C1 ZINC000048342583 568440518 /nfs/dbraw/zinc/44/05/18/568440518.db2.gz GVVFWOHXPSSHQV-KDURUIRLSA-N 1 1 418.541 3.191 50 0 HGAAMO Cc1nc2c(c(=O)n1CC(=O)Nc1cc(F)cc(F)c1)C[N@@H+](Cc1ccccc1)CC2 ZINC000049400855 568447611 /nfs/dbraw/zinc/44/76/11/568447611.db2.gz MDVBHSSQAIXKKH-UHFFFAOYSA-N 1 1 424.451 3.027 50 0 HGAAMO Cc1cc(C)cc(NC(=O)Cn2cnc3c(c2=O)C[N@@H+](Cc2ccccc2)CC3)c1 ZINC000049400723 568447659 /nfs/dbraw/zinc/44/76/59/568447659.db2.gz NISDCWPBGSCVBZ-UHFFFAOYSA-N 1 1 402.498 3.057 50 0 HGAAMO CSc1ccc(C[N@@H+](C)[C@H](C)C(=O)NC(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000014931402 568456324 /nfs/dbraw/zinc/45/63/24/568456324.db2.gz SLFCISHXHLQVQT-CQSZACIVSA-N 1 1 415.515 3.348 50 0 HGAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)CCCn1c(=O)c2cccn2c2ccc(F)cc21 ZINC000033031769 568510550 /nfs/dbraw/zinc/51/05/50/568510550.db2.gz ZELCMSHAPAJNQK-QGZVFWFLSA-N 1 1 412.509 3.164 50 0 HGAAMO COc1cccc(NC(=S)N(CCC[NH+]2CCN(C)CC2)Cc2ccco2)c1 ZINC000020107665 568588298 /nfs/dbraw/zinc/58/82/98/568588298.db2.gz DPNIEGSNCFVXCW-UHFFFAOYSA-N 1 1 402.564 3.125 50 0 HGAAMO C[NH+]1CCN(C(=O)CN2C(=O)/C(=C/c3ccccc3F)Sc3ccccc32)CC1 ZINC000020181237 568593117 /nfs/dbraw/zinc/59/31/17/568593117.db2.gz VZROCPVBGKSTKK-ZHZULCJRSA-N 1 1 411.502 3.080 50 0 HGAAMO CC[NH+]1CCN([C@@H](c2cccs2)[C@@H](C)NC(=O)c2ccc(N(C)C)cc2)CC1 ZINC000020288184 568597581 /nfs/dbraw/zinc/59/75/81/568597581.db2.gz SSSXZWJNTZOQTN-DYESRHJHSA-N 1 1 400.592 3.311 50 0 HGAAMO CC1CC[NH+]([C@@H](CNS(=O)(=O)c2ccc3c(c2)OCCO3)c2cccs2)CC1 ZINC000095350887 568601059 /nfs/dbraw/zinc/60/10/59/568601059.db2.gz NHBKHUUIFKZTBS-KRWDZBQOSA-N 1 1 422.572 3.271 50 0 HGAAMO CC(C)C[N@H+]1Cc2cccc(NC(=O)CNC(=O)c3ccc(Br)o3)c2C1 ZINC000095431481 568609140 /nfs/dbraw/zinc/60/91/40/568609140.db2.gz HQQHZHJHJNMTMY-UHFFFAOYSA-N 1 1 420.307 3.382 50 0 HGAAMO CC(C)[N@H+]1CCc2nc(SCC(=O)Nc3ccc(F)c(Cl)c3)[nH]c(=O)c2C1 ZINC000020467807 568610563 /nfs/dbraw/zinc/61/05/63/568610563.db2.gz AZBNJJFHZHCSLQ-UHFFFAOYSA-N 1 1 410.902 3.472 50 0 HGAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cn(-c2ccc(OC)cc2)c(=O)c2ccccc12 ZINC000020508766 568620246 /nfs/dbraw/zinc/62/02/46/568620246.db2.gz ZFSZSONWAIXUSI-GOSISDBHSA-N 1 1 405.498 3.213 50 0 HGAAMO CNC(=O)CN1CCC(C[N@H+](C)CC(Cc2ccccc2)Cc2ccccc2)CC1 ZINC000225421416 568636400 /nfs/dbraw/zinc/63/64/00/568636400.db2.gz RYZLPINCDGXRIM-UHFFFAOYSA-N 1 1 407.602 3.478 50 0 HGAAMO CNC(=O)CN1CCC(C[N@@H+](C)CC(Cc2ccccc2)Cc2ccccc2)CC1 ZINC000225421416 568636401 /nfs/dbraw/zinc/63/64/01/568636401.db2.gz RYZLPINCDGXRIM-UHFFFAOYSA-N 1 1 407.602 3.478 50 0 HGAAMO CC[C@@H]1C[N@@H+](CC(C)(C)O)[C@H](CC)CN1c1nc(-c2cccnc2)nc2c1CCC2 ZINC000225813486 568676782 /nfs/dbraw/zinc/67/67/82/568676782.db2.gz UWQIHHBJNYMFNJ-RTBURBONSA-N 1 1 409.578 3.477 50 0 HGAAMO CCn1cc(C[N@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)c3ccc(OC)cc3)C2)cn1 ZINC000096000199 568680905 /nfs/dbraw/zinc/68/09/05/568680905.db2.gz MSLVEJOTUKQLFX-GOSISDBHSA-N 1 1 408.506 3.267 50 0 HGAAMO CC(C)(C)[N@H+](CCNS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)Cc1ccco1 ZINC000021535860 568712106 /nfs/dbraw/zinc/71/21/06/568712106.db2.gz JMORLLOMAINKON-UHFFFAOYSA-N 1 1 419.547 3.133 50 0 HGAAMO CC(C)(C)[N@@H+](CCNS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)Cc1ccco1 ZINC000021535860 568712108 /nfs/dbraw/zinc/71/21/08/568712108.db2.gz JMORLLOMAINKON-UHFFFAOYSA-N 1 1 419.547 3.133 50 0 HGAAMO CC(C)CN(C[C@H]1C[N@H+](C[C@H](O)Cc2ccccc2)CCO1)C(=O)c1ccccc1 ZINC000096280499 568718066 /nfs/dbraw/zinc/71/80/66/568718066.db2.gz GXWZEKSJKUWJKV-DNQXCXABSA-N 1 1 410.558 3.089 50 0 HGAAMO CC(C)CN(C[C@H]1C[N@@H+](C[C@H](O)Cc2ccccc2)CCO1)C(=O)c1ccccc1 ZINC000096280499 568718069 /nfs/dbraw/zinc/71/80/69/568718069.db2.gz GXWZEKSJKUWJKV-DNQXCXABSA-N 1 1 410.558 3.089 50 0 HGAAMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(Br)cc2Br)C[C@H](C)O1 ZINC000012420333 568720533 /nfs/dbraw/zinc/72/05/33/568720533.db2.gz ZNGPEHWUSWLOND-NTZNESFSSA-N 1 1 423.145 3.061 50 0 HGAAMO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(Br)cc2Br)C[C@H](C)O1 ZINC000012420333 568720535 /nfs/dbraw/zinc/72/05/35/568720535.db2.gz ZNGPEHWUSWLOND-NTZNESFSSA-N 1 1 423.145 3.061 50 0 HGAAMO O=C(NCC[N@H+]1CCc2ccccc2C1)c1ccc2ncnc(N3CCCC3)c2c1 ZINC000096399938 568749205 /nfs/dbraw/zinc/74/92/05/568749205.db2.gz MREVYENRBMXJCA-UHFFFAOYSA-N 1 1 401.514 3.018 50 0 HGAAMO COc1cccc(NC(=O)N2CCN(c3cc(N4CCCCC4)nc(C)[nH+]3)CC2)c1 ZINC000021795145 568753692 /nfs/dbraw/zinc/75/36/92/568753692.db2.gz BMGDWQZDGJEQBW-UHFFFAOYSA-N 1 1 410.522 3.138 50 0 HGAAMO CC[NH+]1CCN([C@H](c2cccs2)[C@@H](C)NS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000022460430 568768442 /nfs/dbraw/zinc/76/84/42/568768442.db2.gz MWEJUUKVXXTAEO-XLIONFOSSA-N 1 1 407.605 3.102 50 0 HGAAMO CC(C)(C)OCCOc1ccc(C(=O)N2CC[NH+](CCc3ccccc3)CC2)cn1 ZINC000225727709 568779939 /nfs/dbraw/zinc/77/99/39/568779939.db2.gz YUWZJSMYKKDGJY-UHFFFAOYSA-N 1 1 411.546 3.276 50 0 HGAAMO CC1CCN(S(=O)(=O)NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000056124631 568786583 /nfs/dbraw/zinc/78/65/83/568786583.db2.gz SBZZAGZVPPPROX-UHFFFAOYSA-N 1 1 419.513 3.236 50 0 HGAAMO Cc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@@H+]2[C@]32C(=O)Nc3c2cccc3Cl)c1 ZINC000230067184 568805765 /nfs/dbraw/zinc/80/57/65/568805765.db2.gz RZRFQEFWANJFIU-FXKZBUDASA-N 1 1 421.884 3.080 50 0 HGAAMO Cc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@H+]2[C@]32C(=O)Nc3c2cccc3Cl)c1 ZINC000230067184 568805766 /nfs/dbraw/zinc/80/57/66/568805766.db2.gz RZRFQEFWANJFIU-FXKZBUDASA-N 1 1 421.884 3.080 50 0 HGAAMO Cc1ccc(CNC(=O)C[N@@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1F ZINC000029118922 568820691 /nfs/dbraw/zinc/82/06/91/568820691.db2.gz NUNPAGMPPJXWPT-UHFFFAOYSA-N 1 1 424.442 3.376 50 0 HGAAMO Cc1ccc(CNC(=O)C[N@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1F ZINC000029118922 568820692 /nfs/dbraw/zinc/82/06/92/568820692.db2.gz NUNPAGMPPJXWPT-UHFFFAOYSA-N 1 1 424.442 3.376 50 0 HGAAMO COc1cccc(N2CC[N@H+](CC(=O)N3CCc4[nH]c5ccccc5c4C3)C[C@H]2C)c1 ZINC000057054219 568823667 /nfs/dbraw/zinc/82/36/67/568823667.db2.gz UZNWOOZQQLYNAH-GOSISDBHSA-N 1 1 418.541 3.272 50 0 HGAAMO COc1cccc(N2CC[N@@H+](CC(=O)N3CCc4[nH]c5ccccc5c4C3)C[C@H]2C)c1 ZINC000057054219 568823668 /nfs/dbraw/zinc/82/36/68/568823668.db2.gz UZNWOOZQQLYNAH-GOSISDBHSA-N 1 1 418.541 3.272 50 0 HGAAMO [NH2+]=C1Nc2nc3cc4c(cc3n2[C@H](c2ccccc2OC(F)(F)F)N1)OCCCO4 ZINC000012507679 568839628 /nfs/dbraw/zinc/83/96/28/568839628.db2.gz JWXQLRIPTVYRIY-MRXNPFEDSA-N 1 1 419.363 3.193 50 0 HGAAMO Cc1ccc(S(=O)(=O)N[C@H](C[N@@H+]2C[C@@H](CO)CC[C@H]2C)c2ccccc2)cc1 ZINC000230199796 568854573 /nfs/dbraw/zinc/85/45/73/568854573.db2.gz DTNOJFNBTQNVPA-XQBPLPMBSA-N 1 1 402.560 3.107 50 0 HGAAMO CCOC(=O)c1cnn(-c2cccc(C)c2C)c1C[N@@H+]1CCC[C@H](c2nncn2C)C1 ZINC000299790114 568875760 /nfs/dbraw/zinc/87/57/60/568875760.db2.gz AUBHGELYUZUVIA-SFHVURJKSA-N 1 1 422.533 3.174 50 0 HGAAMO CCOC(=O)c1cnn(-c2cccc(C)c2C)c1C[N@H+]1CCC[C@H](c2nncn2C)C1 ZINC000299790114 568875763 /nfs/dbraw/zinc/87/57/63/568875763.db2.gz AUBHGELYUZUVIA-SFHVURJKSA-N 1 1 422.533 3.174 50 0 HGAAMO COc1cc(C[NH2+]C[C@H](CN(C)C)[C@@H](O)c2ccccc2)cc(OC)c1OC(F)F ZINC000058050996 568881102 /nfs/dbraw/zinc/88/11/02/568881102.db2.gz NFTJQPXUGMNBKM-XLIONFOSSA-N 1 1 424.488 3.306 50 0 HGAAMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)NCCc2ccc(C(F)(F)F)cc2)C[C@@H](C)O1 ZINC000031028499 568909227 /nfs/dbraw/zinc/90/92/27/568909227.db2.gz SBCPCLSIMQJXIT-HUUCEWRRSA-N 1 1 401.473 3.435 50 0 HGAAMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)nc1n(c2=O)CCCCC1 ZINC000012761159 568945498 /nfs/dbraw/zinc/94/54/98/568945498.db2.gz AEUJGJHFYZAVQR-FQEVSTJZSA-N 1 1 416.525 3.127 50 0 HGAAMO CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000012774021 568953157 /nfs/dbraw/zinc/95/31/57/568953157.db2.gz NSTCKFKJQWQKPD-IFMALSPDSA-N 1 1 415.965 3.442 50 0 HGAAMO CC1CC[NH+](CCNS(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)s2)CC1 ZINC000015731091 568980905 /nfs/dbraw/zinc/98/09/05/568980905.db2.gz MUOQCTOGYUPRJV-UHFFFAOYSA-N 1 1 423.482 3.432 50 0 HGAAMO Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000008263553 568985642 /nfs/dbraw/zinc/98/56/42/568985642.db2.gz NSFVCQRQGUFABE-OKZBNKHCSA-N 1 1 407.580 3.084 50 0 HGAAMO O=C(C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)NC(=O)Nc1ccccc1F ZINC000008275234 568986716 /nfs/dbraw/zinc/98/67/16/568986716.db2.gz QOHWBLXQWGLLFX-GOSISDBHSA-N 1 1 413.449 3.472 50 0 HGAAMO O=C(C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)NC(=O)Nc1ccccc1F ZINC000008275234 568986719 /nfs/dbraw/zinc/98/67/19/568986719.db2.gz QOHWBLXQWGLLFX-GOSISDBHSA-N 1 1 413.449 3.472 50 0 HGAAMO CCC(=O)[C@@H]1CCCN(C(=O)CC[N@@H+]2Cc3cc(OC)ccc3O[C@H](CC)C2)C1 ZINC000012055448 568987719 /nfs/dbraw/zinc/98/77/19/568987719.db2.gz RQPWPQYXTUEVJW-IEBWSBKVSA-N 1 1 402.535 3.276 50 0 HGAAMO CCC(=O)[C@@H]1CCCN(C(=O)CC[N@H+]2Cc3cc(OC)ccc3O[C@H](CC)C2)C1 ZINC000012055448 568987721 /nfs/dbraw/zinc/98/77/21/568987721.db2.gz RQPWPQYXTUEVJW-IEBWSBKVSA-N 1 1 402.535 3.276 50 0 HGAAMO COc1ccc(NC(=O)c2ccc(C[N@H+](C)CC(=O)NCc3ccco3)cc2)cc1 ZINC000008429740 569002818 /nfs/dbraw/zinc/00/28/18/569002818.db2.gz MXBVOGUXIMWCPX-UHFFFAOYSA-N 1 1 407.470 3.289 50 0 HGAAMO COc1ccc(NC(=O)c2ccc(C[N@@H+](C)CC(=O)NCc3ccco3)cc2)cc1 ZINC000008429740 569002820 /nfs/dbraw/zinc/00/28/20/569002820.db2.gz MXBVOGUXIMWCPX-UHFFFAOYSA-N 1 1 407.470 3.289 50 0 HGAAMO COc1ccc(CN2CC[N@@H+](Cc3cccc4cnccc43)C[C@H]2CCO)c(F)c1 ZINC000104369842 569008579 /nfs/dbraw/zinc/00/85/79/569008579.db2.gz NTAUDUIGGWPOHJ-OAQYLSRUSA-N 1 1 409.505 3.451 50 0 HGAAMO CCOc1ccc(C[N@@H+]2CCN(Cc3cc(OC)ccc3OC)C[C@H]2CCO)cc1 ZINC000104481085 569008822 /nfs/dbraw/zinc/00/88/22/569008822.db2.gz HRPZILAMZSWTGJ-OAQYLSRUSA-N 1 1 414.546 3.171 50 0 HGAAMO CCOc1ccc(C[N@H+]2CCN(Cc3cc(OC)ccc3OC)C[C@H]2CCO)cc1 ZINC000104481085 569008823 /nfs/dbraw/zinc/00/88/23/569008823.db2.gz HRPZILAMZSWTGJ-OAQYLSRUSA-N 1 1 414.546 3.171 50 0 HGAAMO CCc1ccccc1NC(=O)Cn1c(C)nc2c(c1=O)CC[N@H+](Cc1ccccc1)C2 ZINC000035456000 569037896 /nfs/dbraw/zinc/03/78/96/569037896.db2.gz DPWSWNPYAVDAPO-UHFFFAOYSA-N 1 1 416.525 3.311 50 0 HGAAMO CCc1ccccc1NC(=O)Cn1c(C)nc2c(c1=O)CC[N@@H+](Cc1ccccc1)C2 ZINC000035456000 569037897 /nfs/dbraw/zinc/03/78/97/569037897.db2.gz DPWSWNPYAVDAPO-UHFFFAOYSA-N 1 1 416.525 3.311 50 0 HGAAMO Cc1nc2c(c(=O)n1CC(=O)NCCC1=CCCCC1)CC[N@H+](Cc1ccccc1)C2 ZINC000035456197 569037998 /nfs/dbraw/zinc/03/79/98/569037998.db2.gz QSYXSPZHGZSWFM-UHFFFAOYSA-N 1 1 420.557 3.117 50 0 HGAAMO Cc1nc2c(c(=O)n1CC(=O)NCCC1=CCCCC1)CC[N@@H+](Cc1ccccc1)C2 ZINC000035456197 569037999 /nfs/dbraw/zinc/03/79/99/569037999.db2.gz QSYXSPZHGZSWFM-UHFFFAOYSA-N 1 1 420.557 3.117 50 0 HGAAMO Cc1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)c1 ZINC000035485599 569039734 /nfs/dbraw/zinc/03/97/34/569039734.db2.gz ODFZDUBGHQRKHS-ZEQRLZLVSA-N 1 1 413.521 3.376 50 0 HGAAMO O=C([C@@H]1CC(=O)N(Cc2ccc(Cl)cc2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000035686366 569050695 /nfs/dbraw/zinc/05/06/95/569050695.db2.gz BARVRAOINCPKQW-HXUWFJFHSA-N 1 1 411.933 3.033 50 0 HGAAMO Cc1ccc(C[N@@H+]2CCN(Cc3cccn3-c3ccc(Cl)cn3)C[C@H]2CCO)o1 ZINC000036385578 569052275 /nfs/dbraw/zinc/05/22/75/569052275.db2.gz JGJHRKXFWUXZJP-LJQANCHMSA-N 1 1 414.937 3.496 50 0 HGAAMO Cc1ccc(C[N@H+]2CCN(Cc3cccn3-c3ccc(Cl)cn3)C[C@H]2CCO)o1 ZINC000036385578 569052276 /nfs/dbraw/zinc/05/22/76/569052276.db2.gz JGJHRKXFWUXZJP-LJQANCHMSA-N 1 1 414.937 3.496 50 0 HGAAMO Cc1nccn1-c1cc(CNC(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)ccn1 ZINC000053397891 569052764 /nfs/dbraw/zinc/05/27/64/569052764.db2.gz AMKSWGYLQAAAKA-HDICACEKSA-N 1 1 419.529 3.115 50 0 HGAAMO Cc1nccn1-c1cc(CNC(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)ccn1 ZINC000053397891 569052765 /nfs/dbraw/zinc/05/27/65/569052765.db2.gz AMKSWGYLQAAAKA-HDICACEKSA-N 1 1 419.529 3.115 50 0 HGAAMO CC[N@H+]1CCN2c3cccc(Cl)c3C[C@@]3(C(=O)NC(=O)N(C(C)(C)C)C3=O)[C@H]2C1 ZINC000245326930 569055890 /nfs/dbraw/zinc/05/58/90/569055890.db2.gz NEOVVIVDFOKJHO-IERDGZPVSA-N 1 1 418.925 3.110 50 0 HGAAMO CC[N@H+]1CCN2c3cccc(Cl)c3C[C@]3(C(=O)NC(=O)N(C(C)(C)C)C3=O)[C@H]2C1 ZINC000245326933 569055902 /nfs/dbraw/zinc/05/59/02/569055902.db2.gz NEOVVIVDFOKJHO-IIBYNOLFSA-N 1 1 418.925 3.110 50 0 HGAAMO Cc1cccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@@H+]4[C@@]4(C(=O)Nc5c4cccc5Cl)[C@H]3C2=O)c1 ZINC000245328137 569055988 /nfs/dbraw/zinc/05/59/88/569055988.db2.gz RZRFQEFWANJFIU-PMECCGAFSA-N 1 1 421.884 3.080 50 0 HGAAMO Cc1cccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@H+]4[C@@]4(C(=O)Nc5c4cccc5Cl)[C@H]3C2=O)c1 ZINC000245328137 569055989 /nfs/dbraw/zinc/05/59/89/569055989.db2.gz RZRFQEFWANJFIU-PMECCGAFSA-N 1 1 421.884 3.080 50 0 HGAAMO O=C(CN1CCC[N@@H+](CC2CCCCC2)CC1)NC[C@H]1CCN(c2ccccc2)C1 ZINC000054320975 569071061 /nfs/dbraw/zinc/07/10/61/569071061.db2.gz ARQLMUUOTNADFV-HSZRJFAPSA-N 1 1 412.622 3.217 50 0 HGAAMO CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cccc(-c2nc(-c3ccccc3)no2)c1 ZINC000064610858 569071287 /nfs/dbraw/zinc/07/12/87/569071287.db2.gz QKJMUWDVXJQOKL-SFHVURJKSA-N 1 1 412.515 3.166 50 0 HGAAMO COc1cccc(CN2CCC[C@@]3(CC[N@@H+](Cc4[nH]cc(C)c(=O)c4C)C3)C2=O)c1 ZINC000426442860 569073065 /nfs/dbraw/zinc/07/30/65/569073065.db2.gz HUTRPCBUPCJUPR-DEOSSOPVSA-N 1 1 409.530 3.015 50 0 HGAAMO CN(C)C(=O)c1cncc(N2CC[C@]3(C2)CCC[N@@H+](CCCc2ccccc2)C3)n1 ZINC000426604505 569073577 /nfs/dbraw/zinc/07/35/77/569073577.db2.gz NDTWOSQVJOWJPY-XMMPIXPASA-N 1 1 407.562 3.104 50 0 HGAAMO CC(C)CC[N@@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)C[C@H](O)COCC(C)C ZINC000036159176 569102585 /nfs/dbraw/zinc/10/25/85/569102585.db2.gz XBXFTUKTQQCAAR-INIZCTEOSA-N 1 1 421.607 3.355 50 0 HGAAMO CC(C)CC[N@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)C[C@H](O)COCC(C)C ZINC000036159176 569102586 /nfs/dbraw/zinc/10/25/86/569102586.db2.gz XBXFTUKTQQCAAR-INIZCTEOSA-N 1 1 421.607 3.355 50 0 HGAAMO C[N@@H+](CCCNC(=O)Cn1c(=O)c2cccn2c2ccc(F)cc21)C1CCCCC1 ZINC000006782466 569120467 /nfs/dbraw/zinc/12/04/67/569120467.db2.gz NXHCPNOADLZEDB-UHFFFAOYSA-N 1 1 412.509 3.164 50 0 HGAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)c2ccc(Cl)c(-n3nnc4cccnc43)c2)C1 ZINC000064925517 569122856 /nfs/dbraw/zinc/12/28/56/569122856.db2.gz SXOQGSCBANSNLS-HNNXBMFYSA-N 1 1 412.925 3.321 50 0 HGAAMO CC[N@@H+](CCCNC(=O)c1ccc2c(c1)NC(=O)[C@@H]1CCCN21)Cc1ccccc1 ZINC000006804037 569130682 /nfs/dbraw/zinc/13/06/82/569130682.db2.gz VJXRWOONGPXEKZ-QFIPXVFZSA-N 1 1 406.530 3.250 50 0 HGAAMO COc1ccc(NC(=O)N2CC[NH+]([C@@H](C(=O)N3CCCC3)C3CCCC3)CC2)cc1 ZINC000036310670 569131778 /nfs/dbraw/zinc/13/17/78/569131778.db2.gz KVUAETLLRYRBGL-OAQYLSRUSA-N 1 1 414.550 3.026 50 0 HGAAMO NC(=O)C1CC[NH+](CC(=O)N2N=C(c3ccccc3Cl)C[C@H]2c2ccccc2)CC1 ZINC000036342368 569142087 /nfs/dbraw/zinc/14/20/87/569142087.db2.gz KBWOKQMLSGJLTJ-NRFANRHFSA-N 1 1 424.932 3.215 50 0 HGAAMO Cc1ccccc1[C@H]1CC(c2cccc(F)c2)=NN1C(=O)C[NH+]1CCC(C(N)=O)CC1 ZINC000036343135 569142189 /nfs/dbraw/zinc/14/21/89/569142189.db2.gz HITPAKPJQMTHAW-JOCHJYFZSA-N 1 1 422.504 3.009 50 0 HGAAMO CC[NH+]1CCN(C(=O)C2CCN(c3nccnc3Sc3ccccc3)CC2)CC1 ZINC000065102657 569178575 /nfs/dbraw/zinc/17/85/75/569178575.db2.gz YBOBJNLHFWANCY-UHFFFAOYSA-N 1 1 411.575 3.008 50 0 HGAAMO CC(C)[NH+]1CCN(C(=O)CSc2ncccc2-c2noc(C3CCC3)n2)CC1 ZINC000065211420 569196395 /nfs/dbraw/zinc/19/63/95/569196395.db2.gz XKNQMIHBZJJONW-UHFFFAOYSA-N 1 1 401.536 3.044 50 0 HGAAMO COc1ccccc1-c1nc(-c2ccc3c(c2)ncn3CC[NH+]2CCOCC2)no1 ZINC000065255087 569207680 /nfs/dbraw/zinc/20/76/80/569207680.db2.gz PCNGDMXYVFWYPV-UHFFFAOYSA-N 1 1 405.458 3.094 50 0 HGAAMO COc1cc(C(=O)N2CC[NH+](Cc3cn(C)c4ccccc34)CC2)cc(OC)c1OC ZINC000065330079 569225013 /nfs/dbraw/zinc/22/50/13/569225013.db2.gz PIKUUVMOBVFWFF-UHFFFAOYSA-N 1 1 423.513 3.162 50 0 HGAAMO O=C([C@@H]1CCCN(c2nc3cccnc3s2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000065330692 569225146 /nfs/dbraw/zinc/22/51/46/569225146.db2.gz UUXQDOVZVDAYLL-LJQANCHMSA-N 1 1 421.570 3.252 50 0 HGAAMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C(=O)N(C)c2ccc(F)c(F)c2)C1 ZINC000065503837 569232995 /nfs/dbraw/zinc/23/29/95/569232995.db2.gz HCQYGAKIBBMVLJ-INIZCTEOSA-N 1 1 415.484 3.476 50 0 HGAAMO Cc1cc(OCC(=O)NC[C@H]2CCC[N@H+]3CCCC[C@@H]23)c2c3c(c(=O)oc2c1)CCC3 ZINC000170613598 569246951 /nfs/dbraw/zinc/24/69/51/569246951.db2.gz GZKZUSFMHOOODR-XLIONFOSSA-N 1 1 424.541 3.350 50 0 HGAAMO COc1ccc([C@H](NC(=O)C[NH+]2CCC(c3nncn3C3CC3)CC2)C(C)C)cc1 ZINC000089801712 569266219 /nfs/dbraw/zinc/26/62/19/569266219.db2.gz QJDGVMHJEHMKJV-JOCHJYFZSA-N 1 1 411.550 3.315 50 0 HGAAMO NC(=O)c1ccccc1NC(=O)C[N@H+](Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000089809577 569266294 /nfs/dbraw/zinc/26/62/94/569266294.db2.gz PRFQUASOQIMPCI-UHFFFAOYSA-N 1 1 400.482 3.451 50 0 HGAAMO NC(=O)c1ccccc1NC(=O)C[N@@H+](Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000089809577 569266296 /nfs/dbraw/zinc/26/62/96/569266296.db2.gz PRFQUASOQIMPCI-UHFFFAOYSA-N 1 1 400.482 3.451 50 0 HGAAMO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(-n4cnnc4)cc3)cc2Cl)CC1 ZINC000006709413 569280118 /nfs/dbraw/zinc/28/01/18/569280118.db2.gz ZIZQAHJYJDUVRX-UHFFFAOYSA-N 1 1 410.909 3.315 50 0 HGAAMO CN1C(=O)c2ccc(C(=O)NC[C@H](c3ccccc3Cl)[NH+]3CCCC3)cc2C1=O ZINC000027345277 569294036 /nfs/dbraw/zinc/29/40/36/569294036.db2.gz KAUNWOAXGYJLBO-LJQANCHMSA-N 1 1 411.889 3.133 50 0 HGAAMO CC[C@H]1C[N@@H+](CC(C)(C)O)[C@@H](CC)CN1c1nc(-c2cccnc2)nc2c1CCC2 ZINC000252552576 569294302 /nfs/dbraw/zinc/29/43/02/569294302.db2.gz UWQIHHBJNYMFNJ-OALUTQOASA-N 1 1 409.578 3.477 50 0 HGAAMO C[C@H]([NH2+]CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccco1 ZINC000007802973 569311757 /nfs/dbraw/zinc/31/17/57/569311757.db2.gz OFHDIOZWNBMXMP-INIZCTEOSA-N 1 1 405.520 3.134 50 0 HGAAMO COc1ccc(-c2n[nH]cc2C(=O)N(C)C[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1OC ZINC000253413962 569366943 /nfs/dbraw/zinc/36/69/43/569366943.db2.gz WCNHTZWYBUIBRT-PKOBYXMFSA-N 1 1 412.534 3.430 50 0 biogenic HGAAMO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2cc(OC)ccc2Br)c1 ZINC000253415678 569367149 /nfs/dbraw/zinc/36/71/49/569367149.db2.gz ARAUJUPFNXXRIU-GFCCVEGCSA-N 1 1 413.337 3.217 50 0 HGAAMO COc1ccc(OC)c2c(=O)c(CN3CC[NH+](Cc4ccccc4)CC3)c(C)[nH]c12 ZINC000019793607 569430058 /nfs/dbraw/zinc/43/00/58/569430058.db2.gz PFRGHQOEDLHZOU-UHFFFAOYSA-N 1 1 407.514 3.172 50 0 HGAAMO COc1ccccc1-c1ccc(=O)n(CN2CC[NH+](C/C=C/c3ccccc3)CC2)n1 ZINC000079488981 569432384 /nfs/dbraw/zinc/43/23/84/569432384.db2.gz HJMVZOOUVNFSST-JXMROGBWSA-N 1 1 416.525 3.207 50 0 HGAAMO CCOC(=O)C1=C(C[NH+]2CCCCCC2)NC(=O)N[C@@H]1c1ccc(SC)cc1 ZINC000067286934 571064896 /nfs/dbraw/zinc/06/48/96/571064896.db2.gz FWZBATGFQPOQQE-LJQANCHMSA-N 1 1 403.548 3.456 50 0 HGAAMO COc1cc(C(C)=O)ccc1OC[C@@H](O)CNCC1([NH+]2CCCCC2)CCCCC1 ZINC000039945131 571135143 /nfs/dbraw/zinc/13/51/43/571135143.db2.gz SXEPCONCYVSSLA-NRFANRHFSA-N 1 1 418.578 3.416 50 0 HGAAMO C[C@@H](NC(=O)OCc1ccccc1)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000039976132 571135660 /nfs/dbraw/zinc/13/56/60/571135660.db2.gz WOCMOECVIBGTKX-DNVCBOLYSA-N 1 1 403.910 3.374 50 0 HGAAMO C[N@@H+]1CCN(C(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)[C@H](c2ccccc2)C1 ZINC000039983366 571136302 /nfs/dbraw/zinc/13/63/02/571136302.db2.gz WGCJKTBILXGTKH-INIZCTEOSA-N 1 1 413.827 3.036 50 0 HGAAMO C[N@H+]1CCN(C(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)[C@H](c2ccccc2)C1 ZINC000039983366 571136304 /nfs/dbraw/zinc/13/63/04/571136304.db2.gz WGCJKTBILXGTKH-INIZCTEOSA-N 1 1 413.827 3.036 50 0 HGAAMO CC(C)(C)c1ccc(OCCC[NH+]2CCN(CC(=O)N3CCCCC3)CC2)cc1 ZINC000040013685 571138790 /nfs/dbraw/zinc/13/87/90/571138790.db2.gz CNIFASJERRYEFQ-UHFFFAOYSA-N 1 1 401.595 3.383 50 0 HGAAMO Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(Cn4ccccc4=O)o3)CC2)cc1 ZINC000040087008 571157651 /nfs/dbraw/zinc/15/76/51/571157651.db2.gz IYYAFVPGENKKHI-UHFFFAOYSA-N 1 1 405.498 3.146 50 0 HGAAMO CCOc1ccc(N2C[C@@H](C(=O)NCCCC[N@H+]3CCCC[C@@H]3C)CC2=O)cc1 ZINC000040108153 571168129 /nfs/dbraw/zinc/16/81/29/571168129.db2.gz QXHIVMDJNHJBNT-OALUTQOASA-N 1 1 401.551 3.209 50 0 HGAAMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)CCc2nc3ccccc3c(=O)[nH]2)C1 ZINC000040112326 571170595 /nfs/dbraw/zinc/17/05/95/571170595.db2.gz FWDPIIRVFZKALQ-GOSISDBHSA-N 1 1 418.541 3.404 50 0 HGAAMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)CCc2nc3ccccc3c(=O)[nH]2)C1 ZINC000040112327 571170611 /nfs/dbraw/zinc/17/06/11/571170611.db2.gz FWDPIIRVFZKALQ-SFHVURJKSA-N 1 1 418.541 3.404 50 0 HGAAMO O=S(=O)(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)c2ncccc12 ZINC000040152940 571200548 /nfs/dbraw/zinc/20/05/48/571200548.db2.gz LWDOPPKXPNGNCD-MRXNPFEDSA-N 1 1 401.919 3.441 50 0 HGAAMO C[N@@H+](CCOc1ccc(Br)cc1)CCc1nc2ccccc2c(=O)[nH]1 ZINC000040154888 571201967 /nfs/dbraw/zinc/20/19/67/571201967.db2.gz IFLNTWKUXUHHGR-UHFFFAOYSA-N 1 1 402.292 3.239 50 0 HGAAMO CCN(CC)c1onc(-c2ccccc2)c1C[N@@H+](C[C@@H](O)COC)C[C@H]1CCCO1 ZINC000245279128 571222275 /nfs/dbraw/zinc/22/22/75/571222275.db2.gz DQQDVKPTKXHOGV-WOJBJXKFSA-N 1 1 417.550 3.176 50 0 HGAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)[C@H]2Cc3ccccc3N2C(=O)c2ccccc2)C1 ZINC000245276334 571222323 /nfs/dbraw/zinc/22/23/23/571222323.db2.gz TUQGSJCJHVPFTB-AUSIDOKSSA-N 1 1 405.542 3.496 50 0 HGAAMO Cc1c(C(=O)NC2CC2)nnn1-c1cccc2c1CC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000069947224 571250710 /nfs/dbraw/zinc/25/07/10/571250710.db2.gz BJJFLXDDYCEMMV-UHFFFAOYSA-N 1 1 405.477 3.165 50 0 HGAAMO Cc1c(C(=O)NCCC(C)C)nnn1-c1cccc2c1CC[N@H+](Cc1cccnc1)C2 ZINC000070004259 571253600 /nfs/dbraw/zinc/25/36/00/571253600.db2.gz VIYLWQBOJAONOR-UHFFFAOYSA-N 1 1 418.545 3.305 50 0 HGAAMO Cc1c(C(=O)NCCC(C)C)nnn1-c1cccc2c1CC[N@@H+](Cc1cccnc1)C2 ZINC000070004259 571253602 /nfs/dbraw/zinc/25/36/02/571253602.db2.gz VIYLWQBOJAONOR-UHFFFAOYSA-N 1 1 418.545 3.305 50 0 HGAAMO C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)c2ccc(-c3ccco3)[nH]c2=O)C[C@H](C)O1 ZINC000070037798 571254725 /nfs/dbraw/zinc/25/47/25/571254725.db2.gz SRUSDMRZISTUJL-CALCHBBNSA-N 1 1 421.497 3.174 50 0 HGAAMO C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)c2ccc(-c3ccco3)[nH]c2=O)C[C@H](C)O1 ZINC000070037798 571254726 /nfs/dbraw/zinc/25/47/26/571254726.db2.gz SRUSDMRZISTUJL-CALCHBBNSA-N 1 1 421.497 3.174 50 0 HGAAMO COc1ccc(-c2nc(CCNC(=O)c3ccc(-n4cc[nH+]c4C)nn3)cs2)cc1 ZINC000077197112 571312591 /nfs/dbraw/zinc/31/25/91/571312591.db2.gz ZBXOPVXDKDZXNT-UHFFFAOYSA-N 1 1 420.498 3.075 50 0 HGAAMO c1ccc(N2CCN(c3cc[nH+]c(N4CCN(c5ccccc5)CC4)n3)CC2)cc1 ZINC000006590238 132312077 /nfs/dbraw/zinc/31/20/77/132312077.db2.gz DYEJYKUBSFYSQL-UHFFFAOYSA-N 1 1 400.530 3.130 50 0 HGAAMO O=C(C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)N1CCN(c2ccccn2)CC1 ZINC000007554451 132325015 /nfs/dbraw/zinc/32/50/15/132325015.db2.gz ZBWIXZCTIYQNEP-GOSISDBHSA-N 1 1 421.570 3.220 50 0 HGAAMO CC(C)Cc1ccc(C[N@H+]2CC[C@@H](N3CCN(c4ccccn4)CC3)[C@H](O)C2)s1 ZINC000012076360 132353526 /nfs/dbraw/zinc/35/35/26/132353526.db2.gz LBYPOLHQIKVTSA-FGZHOGPDSA-N 1 1 414.619 3.099 50 0 HGAAMO CC(C)Cc1ccc(CN2CC[C@@H]([NH+]3CCN(c4ccccn4)CC3)[C@H](O)C2)s1 ZINC000012076360 132353527 /nfs/dbraw/zinc/35/35/27/132353527.db2.gz LBYPOLHQIKVTSA-FGZHOGPDSA-N 1 1 414.619 3.099 50 0 HGAAMO C[C@@H]1CCc2c(sc3nc(CC[NH+]4CCN(c5ccccn5)CC4)nc(N)c23)C1 ZINC000012606715 132365060 /nfs/dbraw/zinc/36/50/60/132365060.db2.gz BUSUPTNBXZHLMR-OAHLLOKOSA-N 1 1 408.575 3.158 50 0 HGAAMO CC(C)=CC[N@H+]1CCN(Cc2cc(F)ccc2-n2nc(C)cc2C)C[C@@H]1CCO ZINC000020536738 519427380 /nfs/dbraw/zinc/42/73/80/519427380.db2.gz ZCALLCIWRUSRJN-QFIPXVFZSA-N 1 1 400.542 3.463 50 0 HGAAMO CCCCS(=O)(=O)Nc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000032923879 520940814 /nfs/dbraw/zinc/94/08/14/520940814.db2.gz GGSMGMCKJLCHMP-OAQYLSRUSA-N 1 1 415.559 3.233 50 0 HGAAMO CC[NH+]1CCN(C(=O)c2ccccc2OCc2nc(-c3ccc(C)cc3)no2)CC1 ZINC000032579163 521671473 /nfs/dbraw/zinc/67/14/73/521671473.db2.gz CNTVHITUUXXMPY-UHFFFAOYSA-N 1 1 406.486 3.402 50 0 HGAAMO C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCN(C(=O)c2ccoc2)C1)c1ccccc1Cl ZINC000043728862 522078182 /nfs/dbraw/zinc/07/81/82/522078182.db2.gz NQXFGMRKTUGEPS-DNVCBOLYSA-N 1 1 403.910 3.204 50 0 HGAAMO COC(=O)c1ccc(OC[C@@H](O)C[N@@H+](C)Cc2ccccc2N2CCCCC2)cc1 ZINC000032843149 522146372 /nfs/dbraw/zinc/14/63/72/522146372.db2.gz GJAWODLPEKHSDA-NRFANRHFSA-N 1 1 412.530 3.335 50 0 HGAAMO COc1ccc(CN2CC[N@H+](Cc3cccn3-c3cccnc3)C[C@@H]2CCO)c(F)c1 ZINC000020535453 524032786 /nfs/dbraw/zinc/03/27/86/524032786.db2.gz OCWHUWGDMBFFRV-NRFANRHFSA-N 1 1 424.520 3.089 50 0 HGAAMO COc1ccc(CN2CC[N@@H+](Cc3cccn3-c3cccnc3)C[C@@H]2CCO)c(F)c1 ZINC000020535453 524032788 /nfs/dbraw/zinc/03/27/88/524032788.db2.gz OCWHUWGDMBFFRV-NRFANRHFSA-N 1 1 424.520 3.089 50 0 HGAAMO COc1ccc(OC)c(NC(=O)CSc2nc(C[NH+](C)C)nc3ccccc32)c1 ZINC000032865927 524851076 /nfs/dbraw/zinc/85/10/76/524851076.db2.gz OCNFMGDFUJCVHV-UHFFFAOYSA-N 1 1 412.515 3.439 50 0 HGAAMO c1[nH]nc(-c2ccc3c(c2)OCO3)c1CN1CCC[N@H+](C2Cc3ccccc3C2)CC1 ZINC000020599065 526393890 /nfs/dbraw/zinc/39/38/90/526393890.db2.gz MVIUATFRFQPZTK-UHFFFAOYSA-N 1 1 416.525 3.481 50 0 HGAAMO CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2)CC1 ZINC000011937961 535144156 /nfs/dbraw/zinc/14/41/56/535144156.db2.gz QPDVYZXIMDGWDQ-HSZRJFAPSA-N 1 1 416.585 3.059 50 0 HGAAMO Cc1c(C(=O)NC2CCCCC2)nnn1-c1cccc2c1CC[N@H+](C1CCOCC1)C2 ZINC000071890365 557314984 /nfs/dbraw/zinc/31/49/84/557314984.db2.gz JMWSGLXEGVINAV-UHFFFAOYSA-N 1 1 423.561 3.175 50 0 HGAAMO CC[NH+]1CCN(C(=O)c2cnn3c2nccc3-c2ccc(Cl)c(Cl)c2)CC1 ZINC000034676546 557363845 /nfs/dbraw/zinc/36/38/45/557363845.db2.gz VBPNXCBEQRSDGB-UHFFFAOYSA-N 1 1 404.301 3.481 50 0 HGAAMO CC(=O)N1C[C@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@@H](c2cccc(C)c2)C1 ZINC000034709808 557390056 /nfs/dbraw/zinc/39/00/56/557390056.db2.gz WKERQUNGZIHBDA-JWQCQUIFSA-N 1 1 419.569 3.291 50 0 HGAAMO COCC(=O)N[C@H](C)[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccc(C)cc1 ZINC000034855628 557476911 /nfs/dbraw/zinc/47/69/11/557476911.db2.gz NWAPJTJVQBKXCT-MZNJEOGPSA-N 1 1 412.530 3.263 50 0 HGAAMO COCC(=O)N[C@H](C)[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccc(C)cc1 ZINC000034855628 557476914 /nfs/dbraw/zinc/47/69/14/557476914.db2.gz NWAPJTJVQBKXCT-MZNJEOGPSA-N 1 1 412.530 3.263 50 0 HGAAMO COc1ccc(CC[N@H+](C)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000004723376 557586624 /nfs/dbraw/zinc/58/66/24/557586624.db2.gz TVWUYIGPEAFSRB-KRWDZBQOSA-N 1 1 402.878 3.164 50 0 HGAAMO COc1ccc(CC[N@@H+](C)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000004723376 557586627 /nfs/dbraw/zinc/58/66/27/557586627.db2.gz TVWUYIGPEAFSRB-KRWDZBQOSA-N 1 1 402.878 3.164 50 0 HGAAMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)CSc2ncccn2)Cc2ccccc2C1 ZINC000019743074 558263549 /nfs/dbraw/zinc/26/35/49/558263549.db2.gz NUNHZDOFXIUPDO-UHFFFAOYSA-N 1 1 418.566 3.355 50 0 HGAAMO CN(C[C@@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1)C(=O)Cc1cn2ccsc2n1 ZINC000011664251 558267877 /nfs/dbraw/zinc/26/78/77/558267877.db2.gz ABXWNVUPFXNKNI-SFHVURJKSA-N 1 1 414.550 3.491 50 0 HGAAMO Cc1ccc(C(=O)NCCc2nnc3n2CC[N@H+](Cc2ccccc2C)CC3)c(C)c1 ZINC000011815088 558278994 /nfs/dbraw/zinc/27/89/94/558278994.db2.gz MURMDZKBIYTIAG-UHFFFAOYSA-N 1 1 417.557 3.234 50 0 HGAAMO COc1cc(CN(C)Cc2ccon2)ccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000011816276 558279480 /nfs/dbraw/zinc/27/94/80/558279480.db2.gz CGLGUIOPILZKOA-OAQYLSRUSA-N 1 1 417.550 3.319 50 0 HGAAMO O=C(NCCc1nnc2n1CC[N@H+](Cc1cc3ccccc3s1)CC2)c1ccoc1 ZINC000019771793 558280320 /nfs/dbraw/zinc/28/03/20/558280320.db2.gz IXXWUZQCFISKME-UHFFFAOYSA-N 1 1 421.526 3.117 50 0 HGAAMO CCOC(=O)N1CCN([C@H]2CCC[N@H+](C3CCN(c4ccccc4C)CC3)C2)CC1 ZINC000019789973 558282154 /nfs/dbraw/zinc/28/21/54/558282154.db2.gz VHBOTPHJYQYDNJ-QFIPXVFZSA-N 1 1 414.594 3.202 50 0 HGAAMO CCOC(=O)c1cnc2ccc(Br)cc2c1NCCC[NH+]1CCOCC1 ZINC000019792120 558283047 /nfs/dbraw/zinc/28/30/47/558283047.db2.gz KSMQXPREPFMEJN-UHFFFAOYSA-N 1 1 422.323 3.308 50 0 HGAAMO O=C1c2ccccc2C(=O)N1CCC[NH+]1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000019834506 558292317 /nfs/dbraw/zinc/29/23/17/558292317.db2.gz KEBPXBXIHKWHPJ-UHFFFAOYSA-N 1 1 415.896 3.283 50 0 HGAAMO CN(C[C@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1)C(=O)CCN1CCCCC1=O ZINC000011878783 558293404 /nfs/dbraw/zinc/29/34/04/558293404.db2.gz TVZUQEMBMGSTET-HXUWFJFHSA-N 1 1 419.997 3.456 50 0 HGAAMO CCCCn1c(CN2CC[N@H+]3CCC[C@@H]3C2)cnc1S(=O)(=O)CCCC(C)C ZINC000019838981 558293457 /nfs/dbraw/zinc/29/34/57/558293457.db2.gz HJWUOWOJVORFEB-LJQANCHMSA-N 1 1 410.628 3.173 50 0 HGAAMO O[C@@H](COc1ccc(Br)cc1)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000020137568 558337666 /nfs/dbraw/zinc/33/76/66/558337666.db2.gz NIUYHLUBIKTIBA-MRXNPFEDSA-N 1 1 409.299 3.150 50 0 HGAAMO O[C@H](COc1ccc(Br)cc1)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000020137571 558337778 /nfs/dbraw/zinc/33/77/78/558337778.db2.gz NIUYHLUBIKTIBA-INIZCTEOSA-N 1 1 409.299 3.150 50 0 HGAAMO COC(=O)c1ccc(-c2noc(CN(C)C[C@H]3Cc4ccccc4C[N@H+]3C)n2)cc1 ZINC000020272800 558353201 /nfs/dbraw/zinc/35/32/01/558353201.db2.gz GMCWQRSXSBXFBW-HXUWFJFHSA-N 1 1 406.486 3.012 50 0 HGAAMO COC(=O)c1ccc(-c2noc(CN(C)C[C@@H]3Cc4ccccc4C[N@H+]3C)n2)cc1 ZINC000020272798 558353207 /nfs/dbraw/zinc/35/32/07/558353207.db2.gz GMCWQRSXSBXFBW-FQEVSTJZSA-N 1 1 406.486 3.012 50 0 HGAAMO CCn1cc(CNCc2ccc(OC[C@@H](O)C[N@H+](C)Cc3ccccc3)cc2)cn1 ZINC000012226463 558357093 /nfs/dbraw/zinc/35/70/93/558357093.db2.gz VMBBAXPOLHGQDV-QHCPKHFHSA-N 1 1 408.546 3.065 50 0 HGAAMO CCn1cc(CNCc2ccc(OC[C@@H](O)C[N@@H+](C)Cc3ccccc3)cc2)cn1 ZINC000012226463 558357095 /nfs/dbraw/zinc/35/70/95/558357095.db2.gz VMBBAXPOLHGQDV-QHCPKHFHSA-N 1 1 408.546 3.065 50 0 HGAAMO COC(=O)c1[nH]c2cc(C)ccc2c1NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000020358199 558357963 /nfs/dbraw/zinc/35/79/63/558357963.db2.gz XLQQPZYUFLMLCK-UHFFFAOYSA-N 1 1 420.513 3.019 50 0 HGAAMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccc3nsnc3c2)C1)c1[nH]nc2ccccc21 ZINC000012299667 558369484 /nfs/dbraw/zinc/36/94/84/558369484.db2.gz ZWJVODOORMDZFY-OAHLLOKOSA-N 1 1 406.515 3.210 50 0 HGAAMO O=C(c1cnc2ccccn2c1=O)N1CC[C@]2(C1)CCC[N@@H+](CC1CCCCC1)C2 ZINC000012302716 558372303 /nfs/dbraw/zinc/37/23/03/558372303.db2.gz HIXLVIPWMXJFGU-XMMPIXPASA-N 1 1 408.546 3.203 50 0 HGAAMO Cc1nnc(SCC(=O)N(C)C[C@H]2CCC[N@@H+](CCc3ccc(F)cc3)C2)s1 ZINC000012315053 558378659 /nfs/dbraw/zinc/37/86/59/558378659.db2.gz GBSCSQFFUIHVGA-QGZVFWFLSA-N 1 1 422.595 3.491 50 0 HGAAMO O=S(=O)(Cc1ccccc1)NC[C@@H]1CCC[N@@H+](Cc2cccn2-c2ccccn2)C1 ZINC000012318951 558381728 /nfs/dbraw/zinc/38/17/28/558381728.db2.gz PTQKDRJDTOQMAI-NRFANRHFSA-N 1 1 424.570 3.204 50 0 HGAAMO COc1ccccc1-n1cc(C(=O)N[C@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)cn1 ZINC000012439135 558410576 /nfs/dbraw/zinc/41/05/76/558410576.db2.gz WVPMMJRBOAYFQN-NRFANRHFSA-N 1 1 416.525 3.243 50 0 HGAAMO CC[NH+](CC)C[C@@H](O)COc1ccc(CNCc2cc(F)cc(F)c2)cc1OC ZINC000012466108 558420373 /nfs/dbraw/zinc/42/03/73/558420373.db2.gz XXWSCFIKDUJPKU-HXUWFJFHSA-N 1 1 408.489 3.345 50 0 HGAAMO COc1cc(CNCc2nc3ccccc3o2)ccc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000012466530 558420452 /nfs/dbraw/zinc/42/04/52/558420452.db2.gz VDHOCFCINJFZRG-GOSISDBHSA-N 1 1 413.518 3.206 50 0 HGAAMO Cc1csc(=O)n1CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000021004294 558428528 /nfs/dbraw/zinc/42/85/28/558428528.db2.gz GZBKGENOPYQVBK-UHFFFAOYSA-N 1 1 407.539 3.152 50 0 HGAAMO CC[N@@H+]1CCc2nc(NC(=O)COc3ccc(F)cc3Br)sc2C1 ZINC000021294440 558435041 /nfs/dbraw/zinc/43/50/41/558435041.db2.gz BABNNWSCACAMRV-UHFFFAOYSA-N 1 1 414.300 3.440 50 0 HGAAMO CC[N@H+]1CCc2nc(NC(=O)COc3ccc(F)cc3Br)sc2C1 ZINC000021294440 558435043 /nfs/dbraw/zinc/43/50/43/558435043.db2.gz BABNNWSCACAMRV-UHFFFAOYSA-N 1 1 414.300 3.440 50 0 HGAAMO CCc1ncc(C[NH+]2CCC(O)(Cc3cc(-c4cccc(OC)c4)no3)CC2)cn1 ZINC000012597120 558438216 /nfs/dbraw/zinc/43/82/16/558438216.db2.gz FEIFNLJIHJOTCW-UHFFFAOYSA-N 1 1 408.502 3.272 50 0 HGAAMO COc1cc(CN(C)Cc2csc(C)n2)ccc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000012747420 558458385 /nfs/dbraw/zinc/45/83/85/558458385.db2.gz BKACSJBVKTVJKP-LJQANCHMSA-N 1 1 407.580 3.172 50 0 HGAAMO CCOC(=O)c1c(C)c(C)sc1NC(=O)CNC[C@@H](c1ccccc1)[NH+](C)C ZINC000022029730 558459009 /nfs/dbraw/zinc/45/90/09/558459009.db2.gz RSTCGKXBBFMXMS-KRWDZBQOSA-N 1 1 403.548 3.373 50 0 HGAAMO CCN(CCn1cccn1)Cc1ccccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000012761602 558461086 /nfs/dbraw/zinc/46/10/86/558461086.db2.gz SYLOHLFJUOEJLK-QHCPKHFHSA-N 1 1 414.594 3.409 50 0 HGAAMO CCN(CCn1cccn1)Cc1ccccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012761602 558461088 /nfs/dbraw/zinc/46/10/88/558461088.db2.gz SYLOHLFJUOEJLK-QHCPKHFHSA-N 1 1 414.594 3.409 50 0 HGAAMO CCOC(=O)[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000013009297 558502798 /nfs/dbraw/zinc/50/27/98/558502798.db2.gz WHNUOFULFYUECP-LBPRGKRZSA-N 1 1 401.276 3.192 50 0 HGAAMO O=C(NCCC[NH+]1CCOCC1)c1cc(-c2cccs2)n(-c2ccc(F)cc2)n1 ZINC000022688408 558504567 /nfs/dbraw/zinc/50/45/67/558504567.db2.gz LJIOTFAHPBAJIX-UHFFFAOYSA-N 1 1 414.506 3.192 50 0 HGAAMO Cc1ccc([C@@H](CNC(=O)c2cc(=O)c3ccc(C)c(C)c3o2)N2CC[NH+](C)CC2)o1 ZINC000022938446 558527468 /nfs/dbraw/zinc/52/74/68/558527468.db2.gz ZIOGKXLGTFFIIX-LJQANCHMSA-N 1 1 423.513 3.030 50 0 HGAAMO COc1cccc(C(=O)[C@@H]2CCC[N@@H+](Cc3cn(CC(N)=O)c4ccccc34)C2)c1 ZINC000013596359 558547144 /nfs/dbraw/zinc/54/71/44/558547144.db2.gz KZFSKBBILKNKIG-GOSISDBHSA-N 1 1 405.498 3.230 50 0 HGAAMO COc1ccc(-c2noc(CN3CC[N@H+](C)[C@@H](c4ccccc4)C3)n2)c(OC)c1OC ZINC000023359774 558551771 /nfs/dbraw/zinc/55/17/71/558551771.db2.gz AKKDMMNZCJKFKC-GOSISDBHSA-N 1 1 424.501 3.251 50 0 HGAAMO COc1ccc(-c2noc(CN3CC[N@@H+](C)[C@@H](c4ccccc4)C3)n2)c(OC)c1OC ZINC000023359774 558551777 /nfs/dbraw/zinc/55/17/77/558551777.db2.gz AKKDMMNZCJKFKC-GOSISDBHSA-N 1 1 424.501 3.251 50 0 HGAAMO COc1ccc(CN2CC[N@@H+](Cc3ccc(-n4cccn4)cc3)C[C@@H]2CCO)cc1C ZINC000023361074 558552212 /nfs/dbraw/zinc/55/22/12/558552212.db2.gz UEPUXPSMKRFOKD-DEOSSOPVSA-N 1 1 420.557 3.258 50 0 HGAAMO COc1ccc(C[N@@H+]2CCN(Cc3ccc(-n4cccn4)cc3)C[C@@H]2CCO)cc1C ZINC000023361074 558552213 /nfs/dbraw/zinc/55/22/13/558552213.db2.gz UEPUXPSMKRFOKD-DEOSSOPVSA-N 1 1 420.557 3.258 50 0 HGAAMO COc1ccc(C[N@H+]2CCN(Cc3ccc(-n4cccn4)cc3)C[C@@H]2CCO)cc1C ZINC000023361074 558552214 /nfs/dbraw/zinc/55/22/14/558552214.db2.gz UEPUXPSMKRFOKD-DEOSSOPVSA-N 1 1 420.557 3.258 50 0 HGAAMO COC(=O)c1sc(NC(=O)CC[N@@H+](C)Cc2cccs2)c(C(=O)OC)c1C ZINC000014197341 558634015 /nfs/dbraw/zinc/63/40/15/558634015.db2.gz HUKJGCUTRMRFBV-UHFFFAOYSA-N 1 1 410.517 3.152 50 0 HGAAMO Cc1ccccc1C(=O)N1CCC(C(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000025631775 558646304 /nfs/dbraw/zinc/64/63/04/558646304.db2.gz NIZIJRSVMISBIE-FQEVSTJZSA-N 1 1 419.569 3.410 50 0 HGAAMO Cc1nc(-c2ccccn2)sc1C(=O)NCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000026154145 558656578 /nfs/dbraw/zinc/65/65/78/558656578.db2.gz QQXLUWPQQHABGD-HXUWFJFHSA-N 1 1 421.570 3.232 50 0 HGAAMO Cc1ccc(CN2C[C@@H](C(=O)N3CCC[N@@H+](Cc4ccccc4)CC3)CC2=O)cc1 ZINC000026355981 558659476 /nfs/dbraw/zinc/65/94/76/558659476.db2.gz HJDZEAWDUZZLHN-QHCPKHFHSA-N 1 1 405.542 3.078 50 0 HGAAMO CN(C[C@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)Cn1cccn1 ZINC000014965616 558685647 /nfs/dbraw/zinc/68/56/47/558685647.db2.gz POHLASJYSOXEDC-GOSISDBHSA-N 1 1 408.468 3.315 50 0 HGAAMO CC1(C)C[C@H](NC(=O)c2ccc(C[N@@H+]3CC=C(c4ccccc4)CC3)[nH]c2=O)CCO1 ZINC000014997652 558696662 /nfs/dbraw/zinc/69/66/62/558696662.db2.gz JKZWXJRTRKUVNM-HXUWFJFHSA-N 1 1 421.541 3.352 50 0 HGAAMO Cc1ccc(Cc2cnc(NC(=O)NC[C@@H](C)CN3CC[NH+](C)CC3)s2)cc1 ZINC000072274559 558699754 /nfs/dbraw/zinc/69/97/54/558699754.db2.gz DQVNGNMPENKOCZ-QGZVFWFLSA-N 1 1 401.580 3.047 50 0 HGAAMO COc1cc(CNCc2cc(C(C)C)no2)ccc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000015070564 558712550 /nfs/dbraw/zinc/71/25/50/558712550.db2.gz CXKCRSYXFAKIBL-GOSISDBHSA-N 1 1 405.539 3.176 50 0 HGAAMO Cc1ccc(-c2ccnc(-n3ncc(C(=O)N4CC[NH+](C(C)C)CC4)c3C3CC3)n2)o1 ZINC000015071239 558712931 /nfs/dbraw/zinc/71/29/31/558712931.db2.gz JUKZCLJRFKZKAD-UHFFFAOYSA-N 1 1 420.517 3.274 50 0 HGAAMO CC(C)[NH+](CCNC(=O)c1n[nH]c2ccc(I)cc21)C(C)C ZINC000072302730 558755359 /nfs/dbraw/zinc/75/53/59/558755359.db2.gz TUBAZVATZXSPDI-UHFFFAOYSA-N 1 1 414.291 3.016 50 0 HGAAMO COC(=O)CC[N@@H+](CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000072304875 558757525 /nfs/dbraw/zinc/75/75/25/558757525.db2.gz GRPJZMMULDTTPN-PMACEKPBSA-N 1 1 422.566 3.004 50 0 HGAAMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)CCc2cccc(OC3CCCC3)c2)CC1 ZINC000072309325 558772903 /nfs/dbraw/zinc/77/29/03/558772903.db2.gz HILOUVYULSKGRT-GOSISDBHSA-N 1 1 402.535 3.036 50 0 HGAAMO C[C@H](OC(=O)c1ccc2ccccc2n1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000016221161 558779292 /nfs/dbraw/zinc/77/92/92/558779292.db2.gz KDHCWBXDUSJNEL-SFHVURJKSA-N 1 1 403.482 3.125 50 0 HGAAMO C[C@@H]([C@@H](O)c1ccccc1)[N@H+](C)CC(=O)Nc1c2c(nc3ccccc31)N(C)CC2 ZINC000005061004 558781491 /nfs/dbraw/zinc/78/14/91/558781491.db2.gz MTEJNBMIYJMXNT-QMHKHESXSA-N 1 1 404.514 3.220 50 0 HGAAMO C[C@@H]([C@@H](O)c1ccccc1)[N@@H+](C)CC(=O)Nc1c2c(nc3ccccc31)N(C)CC2 ZINC000005061004 558781494 /nfs/dbraw/zinc/78/14/94/558781494.db2.gz MTEJNBMIYJMXNT-QMHKHESXSA-N 1 1 404.514 3.220 50 0 HGAAMO O=C(NC[C@H]([C@@H]1CCOC1)[NH+]1CCOCC1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000034868500 558786230 /nfs/dbraw/zinc/78/62/30/558786230.db2.gz MHCGKCBYLOCQDA-WXFUMESZSA-N 1 1 423.557 3.007 50 0 HGAAMO COc1ccccc1-n1cc(CN2CC[N@H+](Cc3cccs3)[C@H](CCO)C2)cn1 ZINC000039400607 558820891 /nfs/dbraw/zinc/82/08/91/558820891.db2.gz SANZTNYARBDERP-LJQANCHMSA-N 1 1 412.559 3.011 50 0 HGAAMO COc1ccccc1-n1cc(CN2CC[N@@H+](Cc3cccs3)[C@H](CCO)C2)cn1 ZINC000039400607 558820892 /nfs/dbraw/zinc/82/08/92/558820892.db2.gz SANZTNYARBDERP-LJQANCHMSA-N 1 1 412.559 3.011 50 0 HGAAMO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCCCCn1c(=O)c2ccccc2[nH]c1=S ZINC000004598958 558834882 /nfs/dbraw/zinc/83/48/82/558834882.db2.gz YBDRFGGSSAHIEP-MRXNPFEDSA-N 1 1 402.564 3.220 50 0 HGAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)CCCCCn1c(=O)c2ccccc2[nH]c1=S ZINC000004598958 558834885 /nfs/dbraw/zinc/83/48/85/558834885.db2.gz YBDRFGGSSAHIEP-MRXNPFEDSA-N 1 1 402.564 3.220 50 0 HGAAMO CCCc1nnc(C(=O)Nc2cccc(C(=O)NCC[N@H+]3CCCC[C@H]3C)c2)s1 ZINC000033022779 558838188 /nfs/dbraw/zinc/83/81/88/558838188.db2.gz TVUOHGVCFQOKMF-OAHLLOKOSA-N 1 1 415.563 3.347 50 0 HGAAMO COc1cccc2c1OCC(CN1CC[N@H+](Cc3ccsc3)[C@@H](CCO)C1)=C2 ZINC000019224633 558852627 /nfs/dbraw/zinc/85/26/27/558852627.db2.gz KBZOBWVKCUSVEX-FQEVSTJZSA-N 1 1 400.544 3.101 50 0 HGAAMO COc1cccc2c1OCC(CN1CC[N@@H+](Cc3ccsc3)[C@@H](CCO)C1)=C2 ZINC000019224633 558852628 /nfs/dbraw/zinc/85/26/28/558852628.db2.gz KBZOBWVKCUSVEX-FQEVSTJZSA-N 1 1 400.544 3.101 50 0 HGAAMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1cc(CN2CCC(Cc3ccccc3)CC2)on1 ZINC000067975611 558862542 /nfs/dbraw/zinc/86/25/42/558862542.db2.gz IKWYCGCLKLZZPR-NRFANRHFSA-N 1 1 410.562 3.296 50 0 HGAAMO Cc1cc(C(=O)N2CCC[C@H]([NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)no1 ZINC000055371326 558880399 /nfs/dbraw/zinc/88/03/99/558880399.db2.gz RJXXQAMZVYTJSC-SFHVURJKSA-N 1 1 422.451 3.429 50 0 HGAAMO O=C1N(CCc2ccccc2)CCC[C@@]1(O)C[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000071278747 558896413 /nfs/dbraw/zinc/89/64/13/558896413.db2.gz BIHVQGPQYMXOCS-RUZDIDTESA-N 1 1 403.526 3.122 50 0 HGAAMO O=C(C[N@@H+](C[C@@H]1CCOC1)C1CC1)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000058147597 558902302 /nfs/dbraw/zinc/90/23/02/558902302.db2.gz CXIZJYGEFJRNDW-LAUBAEHRSA-N 1 1 405.970 3.094 50 0 HGAAMO CN(c1ccccc1)c1ccccc1NC(=O)NC[C@H]([C@@H]1CCOC1)[NH+]1CCOCC1 ZINC000058156388 558902976 /nfs/dbraw/zinc/90/29/76/558902976.db2.gz NRDCSMRVBYVPDS-AUSIDOKSSA-N 1 1 424.545 3.313 50 0 HGAAMO Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)[nH+]1 ZINC000072117295 558927212 /nfs/dbraw/zinc/92/72/12/558927212.db2.gz GGTXZDBBYDTYCO-UHFFFAOYSA-N 1 1 413.953 3.320 50 0 HGAAMO COc1cccc(C(=O)N2CCC[C@H]([NH+]3CCN(c4ccccc4OC)CC3)C2)c1 ZINC000067675226 558991199 /nfs/dbraw/zinc/99/11/99/558991199.db2.gz QUEWJXKDQHAVQO-FQEVSTJZSA-N 1 1 409.530 3.131 50 0 HGAAMO COc1ccc(OC)c(C(=O)Nc2ccc3nc(N4CC[NH+](C)CC4)sc3c2)c1 ZINC000023135880 559018740 /nfs/dbraw/zinc/01/87/40/559018740.db2.gz UUNCDTFPCSCCAV-UHFFFAOYSA-N 1 1 412.515 3.318 50 0 HGAAMO O=C(NCCc1ccccc1)[C@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082087025 559036834 /nfs/dbraw/zinc/03/68/34/559036834.db2.gz RDOACWGGHICIIJ-QHCPKHFHSA-N 1 1 406.574 3.117 50 0 HGAAMO O=C(NCc1cccc(F)c1)[C@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000082087901 559037040 /nfs/dbraw/zinc/03/70/40/559037040.db2.gz XMTVOBZSPRCXBN-NRFANRHFSA-N 1 1 410.537 3.214 50 0 HGAAMO Cc1cccc(CN2CCC([N@H+]3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)c1 ZINC000082098513 559037865 /nfs/dbraw/zinc/03/78/65/559037865.db2.gz WNXNWELRYVHXBL-QFIPXVFZSA-N 1 1 406.574 3.383 50 0 HGAAMO CCc1ccc(CN2CCC([N@H+]3CCC[C@@H](C(=O)NCc4cccnc4)C3)CC2)nc1 ZINC000082100039 559038088 /nfs/dbraw/zinc/03/80/88/559038088.db2.gz KORZEEMCFFGFJK-JOCHJYFZSA-N 1 1 421.589 3.032 50 0 HGAAMO Cc1ccc(CN2CCC([N@H+]3CCC[C@H](C(=O)NCc4cccnc4)C3)CC2)s1 ZINC000082108119 559038618 /nfs/dbraw/zinc/03/86/18/559038618.db2.gz TVJMZIGGPSIEIU-FQEVSTJZSA-N 1 1 412.603 3.444 50 0 HGAAMO CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)[N@H+](C)CCOc1ccccc1C ZINC000011477515 559077990 /nfs/dbraw/zinc/07/79/90/559077990.db2.gz GVHQZKYUCCYTLW-LJQANCHMSA-N 1 1 411.546 3.354 50 0 HGAAMO CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)[N@@H+](C)CCOc1ccccc1C ZINC000011477515 559077991 /nfs/dbraw/zinc/07/79/91/559077991.db2.gz GVHQZKYUCCYTLW-LJQANCHMSA-N 1 1 411.546 3.354 50 0 HGAAMO O=C(C1CC1)N1CCc2nc[nH]c2C12CC[NH+](Cc1ccc3ncccc3c1)CC2 ZINC000095503383 559082713 /nfs/dbraw/zinc/08/27/13/559082713.db2.gz FPQHWPTZACIPLD-UHFFFAOYSA-N 1 1 401.514 3.244 50 0 HGAAMO C[N@H+](CC(=O)N1CCN(Cc2ccccc2F)CC1)Cc1ccccc1N1CCCC1 ZINC000023761290 559180970 /nfs/dbraw/zinc/18/09/70/559180970.db2.gz FOKFXFFJHNHJNR-UHFFFAOYSA-N 1 1 424.564 3.202 50 0 HGAAMO C[N@@H+](CC(=O)N1CCN(Cc2ccccc2F)CC1)Cc1ccccc1N1CCCC1 ZINC000023761290 559180971 /nfs/dbraw/zinc/18/09/71/559180971.db2.gz FOKFXFFJHNHJNR-UHFFFAOYSA-N 1 1 424.564 3.202 50 0 HGAAMO CCOc1cc(C(=O)N2CCN(c3[nH+]ccn3CC)CC2)cc(OCC)c1OCC ZINC000011695632 559188815 /nfs/dbraw/zinc/18/88/15/559188815.db2.gz KXKCTSXXTCXIDP-UHFFFAOYSA-N 1 1 416.522 3.062 50 0 HGAAMO CCOC(=O)COc1ccc(OCC[N@H+](C)CC(=O)Nc2c(C)cccc2C)cc1 ZINC000078949897 560541024 /nfs/dbraw/zinc/54/10/24/560541024.db2.gz QWTSSLNXIRPSRZ-UHFFFAOYSA-N 1 1 414.502 3.195 50 0 HGAAMO CCOC(=O)COc1ccc(OCC[N@@H+](C)CC(=O)Nc2c(C)cccc2C)cc1 ZINC000078949897 560541025 /nfs/dbraw/zinc/54/10/25/560541025.db2.gz QWTSSLNXIRPSRZ-UHFFFAOYSA-N 1 1 414.502 3.195 50 0 HGAAMO Cc1cccc(CC(=O)Nc2ccc(-c3ccc(N4CC[NH+](C)CC4)nn3)cc2)c1 ZINC000005259442 560553703 /nfs/dbraw/zinc/55/37/03/560553703.db2.gz NRFAPLKLENBWMJ-UHFFFAOYSA-N 1 1 401.514 3.385 50 0 HGAAMO COCCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)Cc1ccc2c(c1)CCO2 ZINC000409414021 560723223 /nfs/dbraw/zinc/72/32/23/560723223.db2.gz HWJWLFOLFFYFBT-FCHUYYIVSA-N 1 1 400.563 3.294 50 0 biogenic HGAAMO CCc1ccc(CNc2nn3c(nc(C[N@@H+]4CCc5ccccc5C4)cc3=O)[nH]2)cc1 ZINC000101796963 560801731 /nfs/dbraw/zinc/80/17/31/560801731.db2.gz HGSCOGIFYHRZGQ-UHFFFAOYSA-N 1 1 414.513 3.150 50 0 HGAAMO CCc1ccc(CNc2nn3c(nc(C[N@H+]4CCc5ccccc5C4)cc3=O)[nH]2)cc1 ZINC000101796963 560801732 /nfs/dbraw/zinc/80/17/32/560801732.db2.gz HGSCOGIFYHRZGQ-UHFFFAOYSA-N 1 1 414.513 3.150 50 0 HGAAMO COC[C@@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2F)=NO1 ZINC000104985247 560859115 /nfs/dbraw/zinc/85/91/15/560859115.db2.gz RDOBANNLIZKTNV-ZWKOTPCHSA-N 1 1 406.885 3.482 50 0 HGAAMO CCN(CC)c1onc(-c2ccccc2)c1C[N@@H+](C[C@@H](O)COC)C[C@@H]1CCCO1 ZINC000104996794 560859306 /nfs/dbraw/zinc/85/93/06/560859306.db2.gz DQQDVKPTKXHOGV-UXHICEINSA-N 1 1 417.550 3.176 50 0 HGAAMO CCCc1nn2c(nc(C[N@H+](CCOC)Cc3ccc(Cl)cc3)cc2=O)s1 ZINC000046032274 568424720 /nfs/dbraw/zinc/42/47/20/568424720.db2.gz CCKDIRRCVVYOIT-UHFFFAOYSA-N 1 1 406.939 3.406 50 0 HGAAMO CCCc1nn2c(nc(C[N@@H+](CCOC)Cc3ccc(Cl)cc3)cc2=O)s1 ZINC000046032274 568424721 /nfs/dbraw/zinc/42/47/21/568424721.db2.gz CCKDIRRCVVYOIT-UHFFFAOYSA-N 1 1 406.939 3.406 50 0 HGAAMO CCN(C(=O)C[NH+]1CCC(C(=O)NCCc2ccccc2F)CC1)c1ccccc1 ZINC000047936599 568431684 /nfs/dbraw/zinc/43/16/84/568431684.db2.gz OMOYYMKDTPLMRK-UHFFFAOYSA-N 1 1 411.521 3.250 50 0 HGAAMO Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+][C@@H]1CCCc2c1cnn2CCO ZINC000048314610 568437954 /nfs/dbraw/zinc/43/79/54/568437954.db2.gz HSPITQPGFHFNQR-GOSISDBHSA-N 1 1 403.889 3.329 50 0 HGAAMO O=C(COc1coc(C[NH+]2CCCCC2)cc1=O)N1CCC(Cc2ccccc2)CC1 ZINC000049549889 568451836 /nfs/dbraw/zinc/45/18/36/568451836.db2.gz KNMSIPFTUAFLCV-UHFFFAOYSA-N 1 1 424.541 3.486 50 0 HGAAMO CCCC[N@@H+](CC)CCNC(=O)c1ccc(C[S@@](=O)c2ccc(OC)cc2)o1 ZINC000006895626 568463301 /nfs/dbraw/zinc/46/33/01/568463301.db2.gz UGJYXBNEQATXKI-NDEPHWFRSA-N 1 1 406.548 3.448 50 0 HGAAMO Cc1cc(=O)c(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)nn1-c1ccc(Cl)cc1 ZINC000007240726 568476835 /nfs/dbraw/zinc/47/68/35/568476835.db2.gz WRJHDYFWPYOREP-HNNXBMFYSA-N 1 1 402.926 3.189 50 0 HGAAMO Cc1ccc(S(=O)(=O)N[C@H](C[N@@H+]2C[C@@H](CO)CC[C@@H]2C)c2ccccc2)cc1 ZINC000222057798 568513924 /nfs/dbraw/zinc/51/39/24/568513924.db2.gz DTNOJFNBTQNVPA-CNNODRBYSA-N 1 1 402.560 3.107 50 0 HGAAMO CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@@H]3C[NH+]1CCN(C(=O)c2ccco2)CC1 ZINC000020112563 568588690 /nfs/dbraw/zinc/58/86/90/568588690.db2.gz UFAAOAUAAMIQQW-ZUXGEGRZSA-N 1 1 412.530 3.496 50 0 biogenic HGAAMO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH+]4CCN(C(=O)c5ccco5)CC4)[C@H]3C=C12 ZINC000020112920 568589264 /nfs/dbraw/zinc/58/92/64/568589264.db2.gz MQSZZIBOTGMDJA-SGCRDVRDSA-N 1 1 412.530 3.352 50 0 biogenic HGAAMO CCOC(=O)C1=C(C[N@@H+]2CC[C@H](c3ccccc3)C2)NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000020214277 568594666 /nfs/dbraw/zinc/59/46/66/568594666.db2.gz WCLXLKQTPFXVDL-PGRDOPGGSA-N 1 1 423.488 3.486 50 0 HGAAMO CCOC(=O)C1=C(C[N@H+]2CC[C@H](c3ccccc3)C2)NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000020214277 568594668 /nfs/dbraw/zinc/59/46/68/568594668.db2.gz WCLXLKQTPFXVDL-PGRDOPGGSA-N 1 1 423.488 3.486 50 0 HGAAMO CCOC(=O)C1C(C[N@@H+]2CC[C@H](c3ccccc3)C2)=NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000020214277 568594670 /nfs/dbraw/zinc/59/46/70/568594670.db2.gz WCLXLKQTPFXVDL-PGRDOPGGSA-N 1 1 423.488 3.486 50 0 HGAAMO CCOC(=O)C1C(C[N@H+]2CC[C@H](c3ccccc3)C2)=NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000020214277 568594672 /nfs/dbraw/zinc/59/46/72/568594672.db2.gz WCLXLKQTPFXVDL-PGRDOPGGSA-N 1 1 423.488 3.486 50 0 HGAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc2c(c1)N(Cc1ccccc1)CCS2 ZINC000020355089 568599653 /nfs/dbraw/zinc/59/96/53/568599653.db2.gz XNKZMYHTUIRQMQ-UHFFFAOYSA-N 1 1 411.571 3.251 50 0 HGAAMO CC1(C)CN(C(=O)CCNC(=O)c2ccc(F)cc2F)CC[N@H+]1Cc1ccccc1 ZINC000095351031 568600923 /nfs/dbraw/zinc/60/09/23/568600923.db2.gz UQOYOEOKYFBYGE-UHFFFAOYSA-N 1 1 415.484 3.208 50 0 HGAAMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2cccc(CS(C)(=O)=O)c2)C1 ZINC000040107130 568622931 /nfs/dbraw/zinc/62/29/31/568622931.db2.gz QHUDVLHGBNRCOV-SFHVURJKSA-N 1 1 414.571 3.393 50 0 HGAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)[C@@H]2Cc3ccccc3N2C(=O)c2ccccc2)C1 ZINC000021148192 568672173 /nfs/dbraw/zinc/67/21/73/568672173.db2.gz TUQGSJCJHVPFTB-XXBNENTESA-N 1 1 405.542 3.496 50 0 HGAAMO Cc1cc(Cl)ccc1NC(=O)N1CCC[N@@H+]([C@H]2CCN(CC3CC3)C2=O)CC1 ZINC000096310661 568675043 /nfs/dbraw/zinc/67/50/43/568675043.db2.gz YONMPMJUXFVPTE-IBGZPJMESA-N 1 1 404.942 3.199 50 0 HGAAMO Cc1cc(Cl)ccc1NC(=O)N1CCC[N@H+]([C@H]2CCN(CC3CC3)C2=O)CC1 ZINC000096310661 568675046 /nfs/dbraw/zinc/67/50/46/568675046.db2.gz YONMPMJUXFVPTE-IBGZPJMESA-N 1 1 404.942 3.199 50 0 HGAAMO C[C@](O)(CNc1ccc2cc(Br)cc(Cl)c2n1)C[NH+]1CCOCC1 ZINC000095988687 568676853 /nfs/dbraw/zinc/67/68/53/568676853.db2.gz BLXWHZRYENFKQH-KRWDZBQOSA-N 1 1 414.731 3.146 50 0 HGAAMO CCOC(=O)C1C(C[NH2+][C@@H](C)CCc2ccccc2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000085993823 568745062 /nfs/dbraw/zinc/74/50/62/568745062.db2.gz SLDFDPJKNPNUES-HTAPYJJXSA-N 1 1 407.514 3.469 50 0 HGAAMO COc1ccc(C[N@@H+](C)[C@@H](C)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1F ZINC000097165331 568769586 /nfs/dbraw/zinc/76/95/86/568769586.db2.gz UYRPIEQFMVTQOZ-INIZCTEOSA-N 1 1 422.522 3.048 50 0 HGAAMO O=C(CCc1nc2cc(Br)cnc2[nH]1)NC[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000230000070 568801260 /nfs/dbraw/zinc/80/12/60/568801260.db2.gz HDCXFIQASNQSDD-CJNGLKHVSA-N 1 1 420.355 3.034 50 0 HGAAMO CCn1c(C[NH2+][C@@H](C)c2ccccc2OC)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000057270673 568825487 /nfs/dbraw/zinc/82/54/87/568825487.db2.gz VUQAVQMTTOEKSB-HNNXBMFYSA-N 1 1 416.547 3.166 50 0 HGAAMO COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)c1C ZINC000057315435 568826551 /nfs/dbraw/zinc/82/65/51/568826551.db2.gz VIBBHCIGAAZPIA-SJORKVTESA-N 1 1 411.502 3.340 50 0 HGAAMO COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)c1C ZINC000057315435 568826553 /nfs/dbraw/zinc/82/65/53/568826553.db2.gz VIBBHCIGAAZPIA-SJORKVTESA-N 1 1 411.502 3.340 50 0 HGAAMO O=C(C[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)c1c[nH]c2ccccc12 ZINC000057350892 568827491 /nfs/dbraw/zinc/82/74/91/568827491.db2.gz FCCPPARLVFZNRO-UHFFFAOYSA-N 1 1 405.454 3.430 50 0 HGAAMO COc1ccc(-c2cc(C(=O)NCCC[N@H+]3CCc4ccccc4C3)[nH]n2)c(OC)c1 ZINC000057477413 568839548 /nfs/dbraw/zinc/83/95/48/568839548.db2.gz LKCHEDNJOQDNRE-UHFFFAOYSA-N 1 1 420.513 3.272 50 0 HGAAMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000230223581 568855990 /nfs/dbraw/zinc/85/59/90/568855990.db2.gz PIMGUNZFOKZYQU-OAGGEKHMSA-N 1 1 422.367 3.039 50 0 HGAAMO C[C@H]([NH2+]CC(=O)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1)c1ccccc1Cl ZINC000057650871 568857206 /nfs/dbraw/zinc/85/72/06/568857206.db2.gz PJCSYQZAURAILA-DOTOQJQBSA-N 1 1 406.935 3.211 50 0 HGAAMO O=C([C@@H]1CC(=O)N(Cc2ccccc2Cl)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012567891 568860560 /nfs/dbraw/zinc/86/05/60/568860560.db2.gz ARXBJKFMDMVUSN-HXUWFJFHSA-N 1 1 411.933 3.033 50 0 HGAAMO CCCCOc1ccccc1C(=O)N[C@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000670436570 568874260 /nfs/dbraw/zinc/87/42/60/568874260.db2.gz DJIZPFOKTIFPGW-REXMIWGRSA-N 1 1 419.569 3.163 50 0 HGAAMO CC(=O)Nc1ccc2nc(C[NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)ccc2c1 ZINC000670442803 568902482 /nfs/dbraw/zinc/90/24/82/568902482.db2.gz JASGGCZVEUVOMJ-UHFFFAOYSA-N 1 1 418.497 3.240 50 0 HGAAMO C[C@H]1C[NH+](C(C)(C)CNC(=O)NCCc2ccc(C(F)(F)F)cc2)C[C@H](C)O1 ZINC000031028504 568909233 /nfs/dbraw/zinc/90/92/33/568909233.db2.gz SBCPCLSIMQJXIT-GJZGRUSLSA-N 1 1 401.473 3.435 50 0 HGAAMO COc1cccc(N2C(=O)C[C@H]([NH+]3CCC(c4nc5ccccc5[nH]4)CC3)C2=O)c1 ZINC000001421382 568938236 /nfs/dbraw/zinc/93/82/36/568938236.db2.gz DXKUKULLZKVENQ-FQEVSTJZSA-N 1 1 404.470 3.083 50 0 HGAAMO Cc1ccccc1C[NH+]1CCN(C(=O)c2ccc(S[C@@H]3CCOC3=O)cc2)CC1 ZINC000084243918 568944755 /nfs/dbraw/zinc/94/47/55/568944755.db2.gz ZZDQKCUOPFEDEA-OAQYLSRUSA-N 1 1 410.539 3.361 50 0 HGAAMO CS(=O)(=O)c1cccc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCCCC2)c1 ZINC000670461598 568951544 /nfs/dbraw/zinc/95/15/44/568951544.db2.gz XQGICRBUROXXAE-OAQYLSRUSA-N 1 1 400.544 3.437 50 0 HGAAMO CC[N@@H+](CCNC(=O)C(=O)Nc1c(C)c(C(C)(C)C)nn1-c1ccccc1)C1CC1 ZINC000084774749 568959298 /nfs/dbraw/zinc/95/92/98/568959298.db2.gz GSVUDIWXBCHNOF-UHFFFAOYSA-N 1 1 411.550 3.017 50 0 HGAAMO Cc1ccc2onc(CC(=O)NCC[NH+]3CCN(c4cccc(Cl)c4)CC3)c2c1 ZINC000015675111 568963216 /nfs/dbraw/zinc/96/32/16/568963216.db2.gz XGWAFVBSVFURNZ-UHFFFAOYSA-N 1 1 412.921 3.271 50 0 HGAAMO C[C@@H]1CC(=O)Nc2cc(S(=O)(=O)N3CC[NH+](C4CCCCC4)CC3)ccc2S1 ZINC000015730389 568980911 /nfs/dbraw/zinc/98/09/11/568980911.db2.gz OPQKHPPGQNUXDY-OAHLLOKOSA-N 1 1 423.604 3.148 50 0 HGAAMO C[C@H]1CC(=O)Nc2cc(S(=O)(=O)N3CC[NH+](C4CCCCC4)CC3)ccc2S1 ZINC000015730390 568980938 /nfs/dbraw/zinc/98/09/38/568980938.db2.gz OPQKHPPGQNUXDY-HNNXBMFYSA-N 1 1 423.604 3.148 50 0 HGAAMO COc1ccccc1C[N@@H+]1CCc2nc(N3CCN(c4ccccc4)CC3)ncc2C1 ZINC000015779503 569001897 /nfs/dbraw/zinc/00/18/97/569001897.db2.gz ASKCMFQETRZKNW-UHFFFAOYSA-N 1 1 415.541 3.370 50 0 HGAAMO COc1ccccc1C[N@H+]1CCc2nc(N3CCN(c4ccccc4)CC3)ncc2C1 ZINC000015779503 569001899 /nfs/dbraw/zinc/00/18/99/569001899.db2.gz ASKCMFQETRZKNW-UHFFFAOYSA-N 1 1 415.541 3.370 50 0 HGAAMO Cc1ccccc1C[N@@H+]1CCN(Cc2cn(C)nc2-c2ccccc2)C[C@H]1CCO ZINC000104365623 569008374 /nfs/dbraw/zinc/00/83/74/569008374.db2.gz TUGMIXCVICOGBQ-XMMPIXPASA-N 1 1 404.558 3.464 50 0 HGAAMO COc1ccc(CN2CC[N@H+](C3CSCCSC3)C[C@H]2CCO)c(C)c1C ZINC000104522192 569008805 /nfs/dbraw/zinc/00/88/05/569008805.db2.gz JNJLZAUXPSWJCE-LJQANCHMSA-N 1 1 410.649 3.029 50 0 HGAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)C1CCN(c2ccc(-c3ccccc3)nn2)CC1 ZINC000035398326 569035122 /nfs/dbraw/zinc/03/51/22/569035122.db2.gz XOFBJYSSXRMEMY-LJQANCHMSA-N 1 1 407.562 3.351 50 0 HGAAMO Cc1ccccc1NC(=O)Cn1c(C)nc2c(c1=O)CC[N@H+](Cc1ccccc1)C2 ZINC000035456036 569037868 /nfs/dbraw/zinc/03/78/68/569037868.db2.gz YIIJJSJJWDTSSS-UHFFFAOYSA-N 1 1 402.498 3.057 50 0 HGAAMO Cc1ccccc1NC(=O)Cn1c(C)nc2c(c1=O)CC[N@@H+](Cc1ccccc1)C2 ZINC000035456036 569037869 /nfs/dbraw/zinc/03/78/69/569037869.db2.gz YIIJJSJJWDTSSS-UHFFFAOYSA-N 1 1 402.498 3.057 50 0 HGAAMO Cc1nc2c(c(=O)n1CC(=O)Nc1ccc(Cl)cc1)CC[N@H+](Cc1ccccc1)C2 ZINC000035455972 569037885 /nfs/dbraw/zinc/03/78/85/569037885.db2.gz ISLDUCZSAGFDIW-UHFFFAOYSA-N 1 1 422.916 3.402 50 0 HGAAMO Cc1nc2c(c(=O)n1CC(=O)Nc1ccc(Cl)cc1)CC[N@@H+](Cc1ccccc1)C2 ZINC000035455972 569037886 /nfs/dbraw/zinc/03/78/86/569037886.db2.gz ISLDUCZSAGFDIW-UHFFFAOYSA-N 1 1 422.916 3.402 50 0 HGAAMO CCc1ccc(NC(=O)Cn2c(C)nc3c(c2=O)CC[N@H+](Cc2ccccc2)C3)cc1 ZINC000035456081 569037935 /nfs/dbraw/zinc/03/79/35/569037935.db2.gz ORSYKPMVTBVMLN-UHFFFAOYSA-N 1 1 416.525 3.311 50 0 HGAAMO CCc1ccc(NC(=O)Cn2c(C)nc3c(c2=O)CC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000035456081 569037936 /nfs/dbraw/zinc/03/79/36/569037936.db2.gz ORSYKPMVTBVMLN-UHFFFAOYSA-N 1 1 416.525 3.311 50 0 HGAAMO Cc1onc(-c2ccncc2)c1C(=O)NCCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000035478629 569038565 /nfs/dbraw/zinc/03/85/65/569038565.db2.gz ISIIRRCBJTWMHI-UHFFFAOYSA-N 1 1 423.492 3.126 50 0 HGAAMO C[C@@H](NC(=O)[C@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)c1ccccc1)c1ccccc1 ZINC000035485237 569039708 /nfs/dbraw/zinc/03/97/08/569039708.db2.gz ZGJVNRUSVAJNSC-PUZWTLIVSA-N 1 1 413.521 3.436 50 0 biogenic HGAAMO C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@H+]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000229755944 569040744 /nfs/dbraw/zinc/04/07/44/569040744.db2.gz FPJRZUDGFHBPHE-UYAOXDASSA-N 1 1 409.530 3.393 50 0 HGAAMO CCOc1ccc(C(F)(F)F)cc1NC(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000089267825 569041062 /nfs/dbraw/zinc/04/10/62/569041062.db2.gz UWLOYHGHUVUCDJ-UHFFFAOYSA-N 1 1 402.461 3.252 50 0 HGAAMO CCOC(=O)C1=C(C[N@H+](Cc2ccccc2)C2CC2)NC(=O)N[C@H]1c1ccc(C)o1 ZINC000013003232 569049279 /nfs/dbraw/zinc/04/92/79/569049279.db2.gz ABPKTVFCLFXQGW-NRFANRHFSA-N 1 1 409.486 3.424 50 0 HGAAMO CCOC(=O)C1=C(C[N@@H+](Cc2ccccc2)C2CC2)NC(=O)N[C@H]1c1ccc(C)o1 ZINC000013003232 569049280 /nfs/dbraw/zinc/04/92/80/569049280.db2.gz ABPKTVFCLFXQGW-NRFANRHFSA-N 1 1 409.486 3.424 50 0 HGAAMO CCOC(=O)C1=C(C[N@H+](Cc2ccccc2)C2CC2)NC(=O)N[C@@H]1c1ccc(C)o1 ZINC000013003231 569049311 /nfs/dbraw/zinc/04/93/11/569049311.db2.gz ABPKTVFCLFXQGW-OAQYLSRUSA-N 1 1 409.486 3.424 50 0 HGAAMO CCOC(=O)C1=C(C[N@@H+](Cc2ccccc2)C2CC2)NC(=O)N[C@@H]1c1ccc(C)o1 ZINC000013003231 569049312 /nfs/dbraw/zinc/04/93/12/569049312.db2.gz ABPKTVFCLFXQGW-OAQYLSRUSA-N 1 1 409.486 3.424 50 0 HGAAMO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000245313101 569055738 /nfs/dbraw/zinc/05/57/38/569055738.db2.gz ZZFPRVRWYARAIA-AIFLQVKLSA-N 1 1 415.493 3.043 50 0 HGAAMO CCn1c(SCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)nnc1-c1ccncc1 ZINC000006776698 569118781 /nfs/dbraw/zinc/11/87/81/569118781.db2.gz FUJLPXXJNJUBAI-UHFFFAOYSA-N 1 1 422.558 3.040 50 0 HGAAMO O=C([C@H](C1CCCC1)[NH+]1CCN(C(=O)C2CCCC2)CC1)N1CCc2ccccc2C1 ZINC000036250568 569119288 /nfs/dbraw/zinc/11/92/88/569119288.db2.gz LCFYHDCKILJJJU-DEOSSOPVSA-N 1 1 423.601 3.465 50 0 HGAAMO COCCN(C[C@@H]1C[N@@H+](Cc2cccs2)C[C@@H]1c1ccc(C)cc1)C(=O)COC ZINC000169679306 569126733 /nfs/dbraw/zinc/12/67/33/569126733.db2.gz IEUKMFGNDISNEL-RBBKRZOGSA-N 1 1 416.587 3.394 50 0 HGAAMO COCCN(Cc1c(-c2ccccc2)noc1N1CC[NH+](C)CC1)C(=O)CC(C)C ZINC000036313458 569133504 /nfs/dbraw/zinc/13/35/04/569133504.db2.gz IJFBPAKXUHEYND-UHFFFAOYSA-N 1 1 414.550 3.115 50 0 HGAAMO CCC(=O)N1CCc2cc(-c3ccc(C(=O)NCCC[NH+]4CCOCC4)cc3)ccc21 ZINC000065026844 569155836 /nfs/dbraw/zinc/15/58/36/569155836.db2.gz ZKEUBSYAGNSBMV-UHFFFAOYSA-N 1 1 421.541 3.105 50 0 HGAAMO CCCn1c2ccccc2c2cnn(CC(=O)NCC[N@@H+]3[C@H](C)CCC[C@@H]3C)c(=O)c21 ZINC000006900168 569176234 /nfs/dbraw/zinc/17/62/34/569176234.db2.gz YCQCXYRWHJBFNP-HDICACEKSA-N 1 1 423.561 3.140 50 0 HGAAMO CCc1nc2c(c(=O)n1CC(=O)Nc1ccc(C)cc1)C[N@@H+](Cc1ccccc1)CC2 ZINC000065153507 569187549 /nfs/dbraw/zinc/18/75/49/569187549.db2.gz OUIBPKKEFBZWML-UHFFFAOYSA-N 1 1 416.525 3.311 50 0 HGAAMO Cc1ccc(-c2cc3c(=O)n(Cc4noc(C[NH+]5CCC(C)CC5)n4)ccn3n2)cc1 ZINC000065235795 569202512 /nfs/dbraw/zinc/20/25/12/569202512.db2.gz HCFWUCFHVTZWJF-UHFFFAOYSA-N 1 1 418.501 3.135 50 0 HGAAMO CC[C@H]1CCCC[N@@H+]1Cc1nc(Cn2ccn3nc(-c4ccccc4)cc3c2=O)no1 ZINC000065235945 569202587 /nfs/dbraw/zinc/20/25/87/569202587.db2.gz KRINSYFFWQSDSX-SFHVURJKSA-N 1 1 418.501 3.359 50 0 HGAAMO CC[C@H]1CCCC[N@H+]1Cc1nc(Cn2ccn3nc(-c4ccccc4)cc3c2=O)no1 ZINC000065235945 569202588 /nfs/dbraw/zinc/20/25/88/569202588.db2.gz KRINSYFFWQSDSX-SFHVURJKSA-N 1 1 418.501 3.359 50 0 HGAAMO CC(C)c1nnc(-c2coc(S(=O)(=O)N3CC[NH+](C4CCCCC4)CC3)c2)o1 ZINC000065246594 569205681 /nfs/dbraw/zinc/20/56/81/569205681.db2.gz CMYNLLIHPSQORV-UHFFFAOYSA-N 1 1 408.524 3.092 50 0 HGAAMO C[NH+]1CCN(C(=O)C2CCN(c3nc4ccc(-c5ccccc5)nc4s3)CC2)CC1 ZINC000065272077 569215582 /nfs/dbraw/zinc/21/55/82/569215582.db2.gz RMYFBPKXDVYFHV-UHFFFAOYSA-N 1 1 421.570 3.349 50 0 HGAAMO Cc1oc2c(c1C(=O)NCCCN1CCCC1=O)C[N@@H+](Cc1ccc(C)cc1)CC2 ZINC000065289675 569217985 /nfs/dbraw/zinc/21/79/85/569217985.db2.gz XQTLQTLUSONRSP-UHFFFAOYSA-N 1 1 409.530 3.197 50 0 HGAAMO Cc1oc2c(c1C(=O)NCCCN1CCCC1=O)C[N@H+](Cc1ccc(C)cc1)CC2 ZINC000065289675 569217986 /nfs/dbraw/zinc/21/79/86/569217986.db2.gz XQTLQTLUSONRSP-UHFFFAOYSA-N 1 1 409.530 3.197 50 0 HGAAMO Cc1ccccc1C(=O)N1CCC[N@@H+]([C@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000065293330 569218409 /nfs/dbraw/zinc/21/84/09/569218409.db2.gz YULRPMGOSYOGFC-QFIPXVFZSA-N 1 1 409.505 3.083 50 0 HGAAMO Cc1ccccc1C(=O)N1CCC[N@H+]([C@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000065293330 569218411 /nfs/dbraw/zinc/21/84/11/569218411.db2.gz YULRPMGOSYOGFC-QFIPXVFZSA-N 1 1 409.505 3.083 50 0 HGAAMO Cn1cc(C[NH+]2CCN(C(=O)c3cc4ccccc4oc3=O)CC2)c2ccccc21 ZINC000065330087 569224963 /nfs/dbraw/zinc/22/49/63/569224963.db2.gz KOGOWMDNBHGWLC-UHFFFAOYSA-N 1 1 401.466 3.243 50 0 HGAAMO CC(C)(C)OC(=O)N1CCC(CC[N@H+]2CCC[C@@H]2C(=O)NCc2ccco2)CC1 ZINC000170591333 569240747 /nfs/dbraw/zinc/24/07/47/569240747.db2.gz LQZHUWDNKMASHT-LJQANCHMSA-N 1 1 405.539 3.397 50 0 HGAAMO CCOC(=O)[C@@]1(Cc2ccccc2)CCCN1C(=O)c1cc(-n2cc[nH+]c2C)ccn1 ZINC000170611441 569245712 /nfs/dbraw/zinc/24/57/12/569245712.db2.gz GFULMDUBWKQQNB-DEOSSOPVSA-N 1 1 418.497 3.356 50 0 HGAAMO Cc1ccc(NC(=O)C(=O)NCCCC[N@@H+]2CCO[C@@H](c3ccccc3)C2)cc1F ZINC000017120971 569275095 /nfs/dbraw/zinc/27/50/95/569275095.db2.gz DQACSSAWCJIFCV-OAQYLSRUSA-N 1 1 413.493 3.043 50 0 HGAAMO Cc1ccc(NC(=O)C(=O)NCCCC[N@H+]2CCO[C@@H](c3ccccc3)C2)cc1F ZINC000017120971 569275096 /nfs/dbraw/zinc/27/50/96/569275096.db2.gz DQACSSAWCJIFCV-OAQYLSRUSA-N 1 1 413.493 3.043 50 0 HGAAMO COc1cc(CC[C@@H](O)C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)ccc1O ZINC000002115175 569284537 /nfs/dbraw/zinc/28/45/37/569284537.db2.gz YFGLNZHQZLOTLC-SJORKVTESA-N 1 1 415.486 3.051 50 0 biogenic HGAAMO COc1cccc(C[N@H+](C)CC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)c1 ZINC000007683410 569300530 /nfs/dbraw/zinc/30/05/30/569300530.db2.gz LDRMAFLWYXOKHN-UHFFFAOYSA-N 1 1 419.407 3.365 50 0 HGAAMO COc1cccc(C[N@@H+](C)CC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)c1 ZINC000007683410 569300531 /nfs/dbraw/zinc/30/05/31/569300531.db2.gz LDRMAFLWYXOKHN-UHFFFAOYSA-N 1 1 419.407 3.365 50 0 HGAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000007777217 569308579 /nfs/dbraw/zinc/30/85/79/569308579.db2.gz URPVHEJYQWAWGM-FQEVSTJZSA-N 1 1 415.559 3.034 50 0 HGAAMO Cc1oc(-c2ccc(C)cc2)nc1C[S@](=O)CC(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000195450158 569311332 /nfs/dbraw/zinc/31/13/32/569311332.db2.gz VGIOORNWHGPWLE-JWRCQZCYSA-N 1 1 417.575 3.198 50 0 HGAAMO Cc1oc(-c2ccc(C)cc2)nc1C[S@](=O)CC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000195450158 569311333 /nfs/dbraw/zinc/31/13/33/569311333.db2.gz VGIOORNWHGPWLE-JWRCQZCYSA-N 1 1 417.575 3.198 50 0 HGAAMO CSCC[C@H]([NH3+])c1nnc(SCC(=O)Nc2ccc(Br)cc2)o1 ZINC000002431779 569399168 /nfs/dbraw/zinc/39/91/68/569399168.db2.gz QJADSPUJGCFJAD-NSHDSACASA-N 1 1 417.354 3.316 50 0 HGAAMO COc1cc(CC[C@H](O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)ccc1O ZINC000012661122 569402578 /nfs/dbraw/zinc/40/25/78/569402578.db2.gz YFGLNZHQZLOTLC-DLBZAZTESA-N 1 1 415.486 3.051 50 0 biogenic HGAAMO CCOC(=O)c1c(C)c2ccccc2nc1N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000079014895 569423764 /nfs/dbraw/zinc/42/37/64/569423764.db2.gz SYYHPRKTSXKEAU-IBGZPJMESA-N 1 1 410.562 3.326 50 0 HGAAMO COc1ccc(OC)c([C@@H](C)NC(=O)C[N@@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000028724959 571037679 /nfs/dbraw/zinc/03/76/79/571037679.db2.gz GBTODMZNICNMTQ-SJORKVTESA-N 1 1 423.517 3.155 50 0 HGAAMO C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000040068006 571148680 /nfs/dbraw/zinc/14/86/80/571148680.db2.gz DUTYGXGZYPVEPZ-SFHVURJKSA-N 1 1 404.518 3.028 50 0 HGAAMO COC(=O)c1ccc(NC(=O)C2CC[NH+](CC(=O)Nc3ccc(C)cc3C)CC2)cc1 ZINC000009071693 571218423 /nfs/dbraw/zinc/21/84/23/571218423.db2.gz OOMLFUXORNNIMX-UHFFFAOYSA-N 1 1 423.513 3.379 50 0 HGAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(NC(=O)C2=CSCCO2)cc1 ZINC000009738063 571283176 /nfs/dbraw/zinc/28/31/76/571283176.db2.gz XUYMKXJKSYGOHY-INIZCTEOSA-N 1 1 403.548 3.224 50 0 HGAAMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000009824136 571286451 /nfs/dbraw/zinc/28/64/51/571286451.db2.gz RAAVOIBPMVIKAG-FQEVSTJZSA-N 1 1 424.504 3.390 50 0 HGAAMO Cc1ccccc1[C@@H]1CC(c2ccc(F)cc2)=NN1C(=O)C[NH+]1CCC(C(N)=O)CC1 ZINC000036342775 571317468 /nfs/dbraw/zinc/31/74/68/571317468.db2.gz UNQPPCWAGHIRRA-QFIPXVFZSA-N 1 1 422.504 3.009 50 0 HGAAMO COc1ccc(F)c(C[NH2+][C@H]2CCCc3nc(N4CCC(CO)CC4)ncc32)c1 ZINC000011704691 132350165 /nfs/dbraw/zinc/35/01/65/132350165.db2.gz RFSXKBOXVPQDDF-FQEVSTJZSA-N 1 1 400.498 3.000 50 0 HGAAMO CC(=O)Nc1nc2ccc(CC(=O)NCCC[N@H+](C)Cc3ccccc3)cc2s1 ZINC000032959580 519753154 /nfs/dbraw/zinc/75/31/54/519753154.db2.gz VJIVQDWBWFFGSA-UHFFFAOYSA-N 1 1 410.543 3.436 50 0 HGAAMO CC(C)c1ccc(C(=O)N2CC[NH+](C[C@@H](O)COCc3cccs3)CC2)cc1 ZINC000032772175 519834748 /nfs/dbraw/zinc/83/47/48/519834748.db2.gz PCHFEYRGGLOZNU-HXUWFJFHSA-N 1 1 402.560 3.207 50 0 HGAAMO CC(C)c1noc(-c2ccc(OCC(=O)NCC[N@H+]3CCc4ccccc4C3)cc2)n1 ZINC000032579027 519898848 /nfs/dbraw/zinc/89/88/48/519898848.db2.gz ABYCHSSXBPCKFY-UHFFFAOYSA-N 1 1 420.513 3.413 50 0 HGAAMO CC[C@@H](CNC(=O)COc1ccc(N2CCCC2=O)cc1)[N@H+]1CCc2ccccc2C1 ZINC000032446977 522531115 /nfs/dbraw/zinc/53/11/15/522531115.db2.gz RYFKJFPKRQPHLX-NRFANRHFSA-N 1 1 421.541 3.145 50 0 HGAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)CCCn1c2ccccc2n2cccc2c1=O ZINC000020489786 524101110 /nfs/dbraw/zinc/10/11/10/524101110.db2.gz XERBRDKKZFASIA-LJQANCHMSA-N 1 1 408.546 3.415 50 0 HGAAMO Cc1c(C)n(CC[NH+]2CCOCC2)c2ncn3nc(-c4ccc(Cl)cc4)nc3c12 ZINC000020573433 525684028 /nfs/dbraw/zinc/68/40/28/525684028.db2.gz MRSUZCJHBHDNCF-UHFFFAOYSA-N 1 1 410.909 3.348 50 0 HGAAMO CSc1nc2c3c(sc2c(NCCC[NH+]2CCOCC2)n1)CC(C)(C)OC3 ZINC000020573643 526216569 /nfs/dbraw/zinc/21/65/69/526216569.db2.gz YOINKQIQOKTCCH-UHFFFAOYSA-N 1 1 408.593 3.399 50 0 HGAAMO CC(=O)N1C[C@@H](c2cccc(C)c2)C[C@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000034709807 557390119 /nfs/dbraw/zinc/39/01/19/557390119.db2.gz WKERQUNGZIHBDA-DQEYMECFSA-N 1 1 419.569 3.291 50 0 HGAAMO Cc1ccccc1Oc1nc(N2CCOCC2)nc2c1C[N@H+](Cc1ccncc1)CC2 ZINC000034755518 557458209 /nfs/dbraw/zinc/45/82/09/557458209.db2.gz XSTOKJDOIHLFHU-UHFFFAOYSA-N 1 1 417.513 3.367 50 0 HGAAMO Cc1ccccc1Oc1nc(N2CCOCC2)nc2c1C[N@@H+](Cc1ccncc1)CC2 ZINC000034755518 557458210 /nfs/dbraw/zinc/45/82/10/557458210.db2.gz XSTOKJDOIHLFHU-UHFFFAOYSA-N 1 1 417.513 3.367 50 0 HGAAMO Fc1ccc(C[N@@H+]2CCCN(Cc3nc(-c4ccc5c(c4)OCO5)no3)CC2)cc1 ZINC000019720858 558259244 /nfs/dbraw/zinc/25/92/44/558259244.db2.gz QYPQUUZIJYONNA-UHFFFAOYSA-N 1 1 410.449 3.312 50 0 HGAAMO Fc1ccc(C[N@H+]2CCCN(Cc3nc(-c4ccc5c(c4)OCO5)no3)CC2)cc1 ZINC000019720858 558259249 /nfs/dbraw/zinc/25/92/49/558259249.db2.gz QYPQUUZIJYONNA-UHFFFAOYSA-N 1 1 410.449 3.312 50 0 HGAAMO O=C(NCc1cccc(Cl)c1)[C@@H]1CCC[N@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000011662286 558266175 /nfs/dbraw/zinc/26/61/75/558266175.db2.gz SPYWYYBLZKFCTR-GOSISDBHSA-N 1 1 403.954 3.069 50 0 HGAAMO O=C(NCCc1ccccn1)[C@@H]1CCC[N@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000011665122 558268488 /nfs/dbraw/zinc/26/84/88/558268488.db2.gz MRHQHJGKJVNGSQ-JOCHJYFZSA-N 1 1 406.574 3.117 50 0 HGAAMO COc1ccc(C[N@@H+]2CCN(Cc3ccc(O)c(OC)c3)C[C@@H]2CCO)c(C)c1C ZINC000019790952 558282425 /nfs/dbraw/zinc/28/24/25/558282425.db2.gz WFUMOZODOKFXSB-NRFANRHFSA-N 1 1 414.546 3.095 50 0 HGAAMO COc1cc(Cl)cc2cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c(=O)oc21 ZINC000019804427 558285886 /nfs/dbraw/zinc/28/58/86/558285886.db2.gz PNNRBSGGZJQNHP-UHFFFAOYSA-N 1 1 412.873 3.413 50 0 HGAAMO COc1ccc(C[N@@H+]2CCc3nnc([C@@H](C)NC(=O)c4ccoc4C)n3CC2)cc1C ZINC000019835902 558292786 /nfs/dbraw/zinc/29/27/86/558292786.db2.gz QLMKDKXDGMKREY-MRXNPFEDSA-N 1 1 423.517 3.046 50 0 HGAAMO NC(=O)[C@H]1CCC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCO3)C1 ZINC000011878940 558293316 /nfs/dbraw/zinc/29/33/16/558293316.db2.gz QYMDKKFNSBISMK-IBGZPJMESA-N 1 1 418.497 3.024 50 0 HGAAMO CC(C)C[C@@H](NC(=O)c1ccco1)c1nnc2n1CC[N@H+](Cc1ccccc1)CC2 ZINC000011910766 558296562 /nfs/dbraw/zinc/29/65/62/558296562.db2.gz ZPINOFVFIKJHCG-LJQANCHMSA-N 1 1 407.518 3.447 50 0 HGAAMO COc1ccc(CNCc2ccccc2F)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000011934018 558298257 /nfs/dbraw/zinc/29/82/57/558298257.db2.gz SFYDCLJQDWDMSW-FQEVSTJZSA-N 1 1 402.510 3.350 50 0 HGAAMO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(Cc2nc3ccccc3n2C)CC1 ZINC000011936158 558300260 /nfs/dbraw/zinc/30/02/60/558300260.db2.gz XGVZGZBZICWGMO-HXUWFJFHSA-N 1 1 411.594 3.166 50 0 HGAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(Cc2nc3ccccc3n2C)CC1 ZINC000011936158 558300264 /nfs/dbraw/zinc/30/02/64/558300264.db2.gz XGVZGZBZICWGMO-HXUWFJFHSA-N 1 1 411.594 3.166 50 0 HGAAMO O=C(CCN1CCCO1)N(Cc1cccnc1)C[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000011938074 558301482 /nfs/dbraw/zinc/30/14/82/558301482.db2.gz DJPPJKGUZDXOPT-JOCHJYFZSA-N 1 1 414.594 3.482 50 0 HGAAMO O=C(NCCc1nnc2n1CC[N@H+](CCCc1ccccc1)CC2)C1CCCCC1 ZINC000011997426 558307251 /nfs/dbraw/zinc/30/72/51/558307251.db2.gz ZXTZTUTXDHKSIY-UHFFFAOYSA-N 1 1 409.578 3.008 50 0 HGAAMO Nc1nc(CN2CC[NH+](Cc3ccccc3)CC2)nc(Nc2ccccc2Cl)n1 ZINC000019944392 558314533 /nfs/dbraw/zinc/31/45/33/558314533.db2.gz PGJAIXNBCZNPED-UHFFFAOYSA-N 1 1 409.925 3.169 50 0 HGAAMO C[NH+](C)CCNC(=O)c1ccc(OC2CCN(Cc3ccco3)CC2)c(Cl)c1 ZINC000012092222 558324537 /nfs/dbraw/zinc/32/45/37/558324537.db2.gz IVCKMHBILWBCLV-UHFFFAOYSA-N 1 1 405.926 3.268 50 0 HGAAMO OCC[C@H]1C[N@H+](Cc2cccn2-c2ccccn2)CCN1Cc1ccc(F)c(F)c1 ZINC000020109542 558334661 /nfs/dbraw/zinc/33/46/61/558334661.db2.gz WXZWAOIDDHQSME-IBGZPJMESA-N 1 1 412.484 3.219 50 0 HGAAMO OCC[C@H]1C[N@@H+](Cc2cccn2-c2ccccn2)CCN1Cc1ccc(F)c(F)c1 ZINC000020109542 558334663 /nfs/dbraw/zinc/33/46/63/558334663.db2.gz WXZWAOIDDHQSME-IBGZPJMESA-N 1 1 412.484 3.219 50 0 HGAAMO COc1ccc(C[N@@H+]2CCN(Cc3c(C)nn(C(C)C)c3C)C[C@@H]2CCO)cc1C ZINC000020202622 558346103 /nfs/dbraw/zinc/34/61/03/558346103.db2.gz VBLREPVEVWFYMU-QFIPXVFZSA-N 1 1 414.594 3.467 50 0 HGAAMO COc1ccc(C[N@H+]2CCN(Cc3c(C)nn(C(C)C)c3C)C[C@@H]2CCO)cc1C ZINC000020202622 558346105 /nfs/dbraw/zinc/34/61/05/558346105.db2.gz VBLREPVEVWFYMU-QFIPXVFZSA-N 1 1 414.594 3.467 50 0 HGAAMO COc1cc(C[N@@H+]2CCN(Cc3cc(F)cc(F)c3)C[C@@H]2CCO)cc(OC)c1 ZINC000020207065 558346835 /nfs/dbraw/zinc/34/68/35/558346835.db2.gz POMWRYDTFOJMAU-FQEVSTJZSA-N 1 1 406.473 3.051 50 0 HGAAMO COc1cc(C[N@H+]2CCN(Cc3cc(F)cc(F)c3)C[C@@H]2CCO)cc(OC)c1 ZINC000020207065 558346839 /nfs/dbraw/zinc/34/68/39/558346839.db2.gz POMWRYDTFOJMAU-FQEVSTJZSA-N 1 1 406.473 3.051 50 0 HGAAMO CC(C)CCn1cnc2sc3c(c2c1=O)CC[C@H]([N@@H+](C)CCc1cnn(C)c1)C3 ZINC000012282202 558365479 /nfs/dbraw/zinc/36/54/79/558365479.db2.gz GGEOKEFSTSQWNR-KRWDZBQOSA-N 1 1 413.591 3.269 50 0 HGAAMO O=C(c1nc2ccccn2c1C[N@H+](Cc1ccccc1)CC1CC1)N1CCOCC1 ZINC000012303206 558372956 /nfs/dbraw/zinc/37/29/56/558372956.db2.gz RQXXFFBQQXRGIU-UHFFFAOYSA-N 1 1 404.514 3.219 50 0 HGAAMO CC[N@H+]1CCC[C@H]1CN/C=C1\c2ccccc2C(=O)N(c2cccc(OC)c2)C1=O ZINC000020503694 558381279 /nfs/dbraw/zinc/38/12/79/558381279.db2.gz WIQCTYVOLAHKEM-RMDTYCCRSA-N 1 1 405.498 3.297 50 0 HGAAMO CC[N@H+]1CCC[C@H]1CN/C=C1\c2ccccc2C(=O)N(c2ccccc2OC)C1=O ZINC000020503996 558381311 /nfs/dbraw/zinc/38/13/11/558381311.db2.gz QGBBVLJFUAZDFP-BJMRFWQKSA-N 1 1 405.498 3.297 50 0 HGAAMO CC(C)(C)c1cc(N2CC[NH+](CCO)CC2)n2ncc(-c3ccc(Cl)cc3)c2n1 ZINC000020518336 558383370 /nfs/dbraw/zinc/38/33/70/558383370.db2.gz VPKKYYNQCVRFPQ-UHFFFAOYSA-N 1 1 413.953 3.462 50 0 HGAAMO CC[NH+]1CCN(C(=O)COc2ccc3c(c2)oc(C)c(-c2ccccc2)c3=O)CC1 ZINC000020646849 558397160 /nfs/dbraw/zinc/39/71/60/558397160.db2.gz AJOZLRYQMCIEAG-UHFFFAOYSA-N 1 1 406.482 3.311 50 0 biogenic HGAAMO CCOC(=O)c1n[nH]cc1C[N@@H+]1CCC[C@@](Cc2ccccc2C)(C(=O)OCC)C1 ZINC000012433925 558407817 /nfs/dbraw/zinc/40/78/17/558407817.db2.gz AHZVVACZIXSXHM-QHCPKHFHSA-N 1 1 413.518 3.283 50 0 HGAAMO CCOC(=O)c1n[nH]cc1C[N@H+]1CCC[C@@](Cc2ccccc2C)(C(=O)OCC)C1 ZINC000012433925 558407819 /nfs/dbraw/zinc/40/78/19/558407819.db2.gz AHZVVACZIXSXHM-QHCPKHFHSA-N 1 1 413.518 3.283 50 0 HGAAMO Cc1ccoc1C(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NCc3ccccc3)C2)CC1 ZINC000012437821 558409556 /nfs/dbraw/zinc/40/95/56/558409556.db2.gz QACQQCAJZHTJJC-FQEVSTJZSA-N 1 1 409.530 3.221 50 0 HGAAMO O=C(Nc1ccc(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)cc1)c1ccco1 ZINC000020938022 558424610 /nfs/dbraw/zinc/42/46/10/558424610.db2.gz KHRUSPPOCYIMDL-UHFFFAOYSA-N 1 1 411.502 3.297 50 0 HGAAMO CCn1ncc(CN2CCC[C@H]([N@@H+](C)CCc3ccc(OC)c(OC)c3)C2)c1C ZINC000020995605 558426858 /nfs/dbraw/zinc/42/68/58/558426858.db2.gz BBZYALXSVXPQCN-NRFANRHFSA-N 1 1 400.567 3.368 50 0 HGAAMO COCc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)c3cccc(OC)c3OC)C2)o1 ZINC000012584284 558433573 /nfs/dbraw/zinc/43/35/73/558433573.db2.gz IYMOTSQRBMSVTJ-INIZCTEOSA-N 1 1 402.491 3.085 50 0 HGAAMO Cc1nc(N2CCCC2)cc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)[nH+]1 ZINC000021795053 558449426 /nfs/dbraw/zinc/44/94/26/558449426.db2.gz CVZXZYSEKMCKAN-UHFFFAOYSA-N 1 1 400.914 3.393 50 0 HGAAMO [NH2+]=C1Nc2nc3cc4c(cc3n2[C@@H](c2ccc(OC(F)(F)F)cc2)N1)OCCCO4 ZINC000022018305 558457977 /nfs/dbraw/zinc/45/79/77/558457977.db2.gz QBKMMXJDBRWVIS-INIZCTEOSA-N 1 1 419.363 3.193 50 0 HGAAMO O=C(c1cccc(F)c1)N1CCC(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000012863831 558481627 /nfs/dbraw/zinc/48/16/27/558481627.db2.gz DZBYIOQBEHQPHM-UHFFFAOYSA-N 1 1 409.505 3.022 50 0 HGAAMO COCC[N@H+](CC(=O)Nc1ccccc1I)Cc1ccccc1 ZINC000012971481 558489065 /nfs/dbraw/zinc/48/90/65/558489065.db2.gz BEFNBCRUZBICFZ-UHFFFAOYSA-N 1 1 424.282 3.378 50 0 HGAAMO COCC[N@@H+](CC(=O)Nc1ccccc1I)Cc1ccccc1 ZINC000012971481 558489068 /nfs/dbraw/zinc/48/90/68/558489068.db2.gz BEFNBCRUZBICFZ-UHFFFAOYSA-N 1 1 424.282 3.378 50 0 HGAAMO C[NH+]1CCN([C@@H](CNC(=O)c2ccc(Br)cc2)c2cccs2)CC1 ZINC000022789450 558511890 /nfs/dbraw/zinc/51/18/90/558511890.db2.gz BHRPYISUCGRBJW-INIZCTEOSA-N 1 1 408.365 3.229 50 0 HGAAMO Cn1cc(C[N@@H+]2CCC[C@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)cn1 ZINC000022851656 558516812 /nfs/dbraw/zinc/51/68/12/558516812.db2.gz CBAVPJWUJZODOZ-FQEVSTJZSA-N 1 1 407.484 3.226 50 0 HGAAMO Cn1cc(C[N@H+]2CCC[C@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)cn1 ZINC000022851656 558516814 /nfs/dbraw/zinc/51/68/14/558516814.db2.gz CBAVPJWUJZODOZ-FQEVSTJZSA-N 1 1 407.484 3.226 50 0 HGAAMO Cc1ccc(-n2cccn2)c(CN2CC[N@@H+](CCc3ccccc3)[C@@H](CCO)C2)c1 ZINC000023129267 558536922 /nfs/dbraw/zinc/53/69/22/558536922.db2.gz AOXVSVKJVOCOGS-DEOSSOPVSA-N 1 1 404.558 3.292 50 0 HGAAMO Cc1ccc(-n2cccn2)c(C[N@@H+]2CCN(CCc3ccccc3)[C@@H](CCO)C2)c1 ZINC000023129267 558536925 /nfs/dbraw/zinc/53/69/25/558536925.db2.gz AOXVSVKJVOCOGS-DEOSSOPVSA-N 1 1 404.558 3.292 50 0 HGAAMO Cc1ccc(-n2cccn2)c(C[N@H+]2CCN(CCc3ccccc3)[C@@H](CCO)C2)c1 ZINC000023129267 558536927 /nfs/dbraw/zinc/53/69/27/558536927.db2.gz AOXVSVKJVOCOGS-DEOSSOPVSA-N 1 1 404.558 3.292 50 0 HGAAMO CCCn1ncc(CN2CC[N@H+](Cc3ccccc3OCC)[C@@H](CCO)C2)c1C ZINC000023359698 558551684 /nfs/dbraw/zinc/55/16/84/558551684.db2.gz SSJDCUGXIXDIMK-QFIPXVFZSA-N 1 1 400.567 3.069 50 0 HGAAMO CCCn1ncc(CN2CC[N@@H+](Cc3ccccc3OCC)[C@@H](CCO)C2)c1C ZINC000023359698 558551686 /nfs/dbraw/zinc/55/16/86/558551686.db2.gz SSJDCUGXIXDIMK-QFIPXVFZSA-N 1 1 400.567 3.069 50 0 HGAAMO OCC[C@H]1CN(Cc2cnn(-c3ccc(F)cc3)c2)CC[N@@H+]1Cc1ccc(F)cc1 ZINC000023374348 558554020 /nfs/dbraw/zinc/55/40/20/558554020.db2.gz HUXXTRDVXKTDSN-QHCPKHFHSA-N 1 1 412.484 3.219 50 0 HGAAMO OCC[C@H]1CN(Cc2cnn(-c3ccc(F)cc3)c2)CC[N@H+]1Cc1ccc(F)cc1 ZINC000023374348 558554023 /nfs/dbraw/zinc/55/40/23/558554023.db2.gz HUXXTRDVXKTDSN-QHCPKHFHSA-N 1 1 412.484 3.219 50 0 HGAAMO O=c1c(Cl)c(NCc2ccccc2C[NH+]2CCOCC2)cnn1-c1ccccc1 ZINC000023763721 558575221 /nfs/dbraw/zinc/57/52/21/558575221.db2.gz RJHMPJTXPRDUSU-UHFFFAOYSA-N 1 1 410.905 3.330 50 0 HGAAMO Fc1ccc(-n2ncc3c2ncnc3NCc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000024528782 558600238 /nfs/dbraw/zinc/60/02/38/558600238.db2.gz JOBHIOQHYOAAAE-UHFFFAOYSA-N 1 1 418.476 3.399 50 0 HGAAMO CCc1c(C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)cnn1-c1cccc(Cl)c1 ZINC000024571145 558601153 /nfs/dbraw/zinc/60/11/53/558601153.db2.gz HIDCWGAMYLGFRM-SFHVURJKSA-N 1 1 404.942 3.175 50 0 HGAAMO Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1CCC(=O)N1CC[NH+](C)CC1 ZINC000013945790 558606892 /nfs/dbraw/zinc/60/68/92/558606892.db2.gz WSFKECQCMCYWFG-XMMPIXPASA-N 1 1 416.525 3.186 50 0 HGAAMO CC(C)(C)c1ccccc1OC[C@@H](O)C[NH+]1CCN(Cc2cn3ccccc3n2)CC1 ZINC000025057869 558629293 /nfs/dbraw/zinc/62/92/93/558629293.db2.gz FPAWFTSSJPFYCF-NRFANRHFSA-N 1 1 422.573 3.189 50 0 HGAAMO O=C(CSc1ccc2c(c1)OCCCO2)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000025514661 558642434 /nfs/dbraw/zinc/64/24/34/558642434.db2.gz GHEIWJBVXMMPBR-UHFFFAOYSA-N 1 1 420.575 3.091 50 0 HGAAMO COc1cc(OC)cc(C(=O)NC[C@H]2CCC[N@@H+](Cc3cnn(C(C)C)c3)C2)c1 ZINC000014955569 558682303 /nfs/dbraw/zinc/68/23/03/558682303.db2.gz XKKBQJCVAUIQJN-QGZVFWFLSA-N 1 1 400.523 3.123 50 0 HGAAMO O=C(NCCCc1ccncc1)[C@@H]1CC12CC[NH+](Cc1nc3ccccc3[nH]1)CC2 ZINC000015008654 558699552 /nfs/dbraw/zinc/69/95/52/558699552.db2.gz IDAPNUSLYKWOBX-IBGZPJMESA-N 1 1 403.530 3.309 50 0 HGAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc2oc(CCCc3ccccc3)nc2c1 ZINC000015067307 558710236 /nfs/dbraw/zinc/71/02/36/558710236.db2.gz FHTYBONVVYUKPF-UHFFFAOYSA-N 1 1 407.514 3.455 50 0 HGAAMO O=C(NCC[N@H+]1CCc2ccccc2C1)c1ccccc1I ZINC000030363354 558729283 /nfs/dbraw/zinc/72/92/83/558729283.db2.gz NPAMXUWDXKCYSD-UHFFFAOYSA-N 1 1 406.267 3.079 50 0 HGAAMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N2CCN(CCOc3ccccc3)CC2)cc1 ZINC000015300699 558731091 /nfs/dbraw/zinc/73/10/91/558731091.db2.gz DUCGDSYLMDPAHA-DEOSSOPVSA-N 1 1 423.557 3.055 50 0 HGAAMO O=C(NC1(c2ccc(Br)cc2)CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000072294645 558743950 /nfs/dbraw/zinc/74/39/50/558743950.db2.gz DGYBLYHWXUBKOE-IBGZPJMESA-N 1 1 415.331 3.455 50 0 HGAAMO O=C(NC1(c2ccc(Br)cc2)CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000072294645 558743952 /nfs/dbraw/zinc/74/39/52/558743952.db2.gz DGYBLYHWXUBKOE-IBGZPJMESA-N 1 1 415.331 3.455 50 0 HGAAMO Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000072296024 558748885 /nfs/dbraw/zinc/74/88/85/558748885.db2.gz CSHCHLRAVWKDSV-WIYYLYMNSA-N 1 1 402.583 3.124 50 0 HGAAMO CC(=O)c1ccc(N2CC[NH+](Cc3c(C)n(C)n(-c4ccccc4)c3=O)CC2)cc1 ZINC000019634382 558777023 /nfs/dbraw/zinc/77/70/23/558777023.db2.gz IUEMRMBEZHUEIP-UHFFFAOYSA-N 1 1 404.514 3.009 50 0 HGAAMO CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=S)N1CC[NH+](C)CC1 ZINC000017082755 558814948 /nfs/dbraw/zinc/81/49/48/558814948.db2.gz LQZCGKDEIQVPAU-UHFFFAOYSA-N 1 1 403.573 3.460 50 0 HGAAMO CN(C)c1ncc(C[N@H+]2CCC[C@@H](N3CCN(c4ccccc4F)CC3)C2)s1 ZINC000019229093 558853127 /nfs/dbraw/zinc/85/31/27/558853127.db2.gz ZAVMIISQYNFGPZ-QGZVFWFLSA-N 1 1 403.571 3.135 50 0 HGAAMO O=C(c1cnc(N2CCOCC2)c2ccccc12)N1CC[NH+](Cc2ccccc2)CC1 ZINC000033072982 558867259 /nfs/dbraw/zinc/86/72/59/558867259.db2.gz LQKAUCBWVDMNFK-UHFFFAOYSA-N 1 1 416.525 3.029 50 0 HGAAMO CC[NH+]1CCN(C(=O)c2cnn(-c3nccc(-c4cccs4)n3)c2C2CC2)CC1 ZINC000055340708 558879412 /nfs/dbraw/zinc/87/94/12/558879412.db2.gz MKXHASBBCYDHDJ-UHFFFAOYSA-N 1 1 408.531 3.046 50 0 HGAAMO Cc1c[nH]c(CN(C)C(=O)[C@H]2CCC[N@H+](C3CCN(CCc4ccccc4)CC3)C2)n1 ZINC000071663089 558906457 /nfs/dbraw/zinc/90/64/57/558906457.db2.gz NRHMLMBVMRUSOF-QFIPXVFZSA-N 1 1 423.605 3.096 50 0 HGAAMO CCCC[N@@H+](CC)CCNC(=O)c1ccc(CS(=O)(=O)c2ccc(OC)cc2)o1 ZINC000004715504 558914776 /nfs/dbraw/zinc/91/47/76/558914776.db2.gz WAIVVGVEDGYQFC-UHFFFAOYSA-N 1 1 422.547 3.114 50 0 HGAAMO COc1ccc(NC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)cc1OC(F)F ZINC000058379498 558923011 /nfs/dbraw/zinc/92/30/11/558923011.db2.gz CUIPMWQSNIEKKK-IBGZPJMESA-N 1 1 405.445 3.224 50 0 HGAAMO O=C(CN1CC[NH+](CCCOc2cccc(Cl)c2)CC1)N1CCc2ccccc21 ZINC000058392498 558923486 /nfs/dbraw/zinc/92/34/86/558923486.db2.gz JYCWBUMIAWQWRK-UHFFFAOYSA-N 1 1 413.949 3.316 50 0 HGAAMO O=C(Nc1ccc(F)c(Cl)c1)N1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC000072119227 558927890 /nfs/dbraw/zinc/92/78/90/558927890.db2.gz TUTHLWUQDIZKJP-UHFFFAOYSA-N 1 1 404.877 3.223 50 0 HGAAMO CCC[NH+]1CCN(C(=O)c2cnn(-c3nccc(-c4cccs4)n3)c2C2CC2)CC1 ZINC000059343247 558934389 /nfs/dbraw/zinc/93/43/89/558934389.db2.gz GACZIBREVONSJO-UHFFFAOYSA-N 1 1 422.558 3.436 50 0 HGAAMO CC[N@H+](C)Cc1cc2n(n1)CCN(C(=O)CSC13CC4CC(CC(C4)C1)C3)C2 ZINC000072426810 558979191 /nfs/dbraw/zinc/97/91/91/558979191.db2.gz VSJDBTMGZVTOLJ-UHFFFAOYSA-N 1 1 402.608 3.379 50 0 HGAAMO CC[N@@H+](C)Cc1cc2n(n1)CCN(C(=O)CSC13CC4CC(CC(C4)C1)C3)C2 ZINC000072426810 558979193 /nfs/dbraw/zinc/97/91/93/558979193.db2.gz VSJDBTMGZVTOLJ-UHFFFAOYSA-N 1 1 402.608 3.379 50 0 HGAAMO Cc1ccnc(OCC(=O)Nc2ccc(Nc3cc(N4CCCC4)nc(C)[nH+]3)cc2)n1 ZINC000072437604 558980976 /nfs/dbraw/zinc/98/09/76/558980976.db2.gz FLEHXBSXTRXNTC-UHFFFAOYSA-N 1 1 419.489 3.245 50 0 HGAAMO Cc1ccnc(OCC(=O)Nc2ccc(Nc3cc(N4CCCC4)[nH+]c(C)n3)cc2)n1 ZINC000072437604 558980980 /nfs/dbraw/zinc/98/09/80/558980980.db2.gz FLEHXBSXTRXNTC-UHFFFAOYSA-N 1 1 419.489 3.245 50 0 HGAAMO Cc1cc(C)n(-c2cc(NCCNC(=O)c3c(F)cccc3Cl)[nH+]c(C)n2)n1 ZINC000072442531 558982184 /nfs/dbraw/zinc/98/21/84/558982184.db2.gz FXUABAWULOUCHD-UHFFFAOYSA-N 1 1 402.861 3.222 50 0 HGAAMO CCOc1cc(/C=C\C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)ccc1OC(F)F ZINC000096817132 558986995 /nfs/dbraw/zinc/98/69/95/558986995.db2.gz XOONOSBGFTWWMK-CNRGFGOASA-N 1 1 424.488 3.413 50 0 HGAAMO O=C(NCCCN1CCOCC1)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000067603921 558988250 /nfs/dbraw/zinc/98/82/50/558988250.db2.gz BIEMXGQPJZPDIG-UHFFFAOYSA-N 1 1 414.377 3.044 50 0 HGAAMO Cc1nc(N2CCCC2)cc(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)[nH+]1 ZINC000067613434 558989121 /nfs/dbraw/zinc/98/91/21/558989121.db2.gz FJPXWUHZDMQPCB-UHFFFAOYSA-N 1 1 403.889 3.140 50 0 HGAAMO Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)[nH+]1 ZINC000067621362 558989741 /nfs/dbraw/zinc/98/97/41/558989741.db2.gz RUOXTRYTDAIQNX-UHFFFAOYSA-N 1 1 418.545 3.148 50 0 HGAAMO Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)Nc3ccc(F)cc3F)CC2)[nH+]1 ZINC000067621715 558989747 /nfs/dbraw/zinc/98/97/47/558989747.db2.gz GHVKLQKDFBCWPO-UHFFFAOYSA-N 1 1 416.476 3.408 50 0 HGAAMO C[NH+](C)Cc1cccc(C(=O)N[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)c1 ZINC000097108898 558995154 /nfs/dbraw/zinc/99/51/54/558995154.db2.gz FVOCOFRAZXWDQQ-QGZVFWFLSA-N 1 1 403.408 3.405 50 0 HGAAMO CC(C)(C)NC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000082096797 559037378 /nfs/dbraw/zinc/03/73/78/559037378.db2.gz QZMLAPILGLLVRR-FQEVSTJZSA-N 1 1 414.594 3.030 50 0 HGAAMO O=C(NCc1ccccn1)[C@@H]1CCC[N@H+](C2CCN(c3ccc(Cl)cn3)CC2)C1 ZINC000082125213 559039649 /nfs/dbraw/zinc/03/96/49/559039649.db2.gz HETIMUFTBJGBDN-QGZVFWFLSA-N 1 1 413.953 3.127 50 0 HGAAMO Cc1nc(CN2CCC([N@H+]3CCC[C@H](C(=O)NCCc4ccccc4)C3)CC2)co1 ZINC000082121994 559039681 /nfs/dbraw/zinc/03/96/81/559039681.db2.gz VWVNLHDAQUSNMZ-NRFANRHFSA-N 1 1 410.562 3.018 50 0 HGAAMO O=C(NCc1cccnc1)[C@H]1CCC[N@H+](C2CCN(Cc3ccc(F)cc3)CC2)C1 ZINC000082137092 559040244 /nfs/dbraw/zinc/04/02/44/559040244.db2.gz UGMWHQWFBDHFOS-NRFANRHFSA-N 1 1 410.537 3.214 50 0 HGAAMO C[NH+]1CCN(C(=O)c2c3ccccc3nc3c2CN(Cc2ccccc2)CC3)CC1 ZINC000091297421 559070953 /nfs/dbraw/zinc/07/09/53/559070953.db2.gz YUBUBFDDDIAKEB-UHFFFAOYSA-N 1 1 400.526 3.181 50 0 HGAAMO O=C(C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)NC[C@H]1COc2ccccc2O1 ZINC000247799018 559119069 /nfs/dbraw/zinc/11/90/69/559119069.db2.gz TYNVYXYIZKGDFU-SJORKVTESA-N 1 1 423.538 3.432 50 0 HGAAMO O=C(C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)NC[C@H]1COc2ccccc2O1 ZINC000247799018 559119071 /nfs/dbraw/zinc/11/90/71/559119071.db2.gz TYNVYXYIZKGDFU-SJORKVTESA-N 1 1 423.538 3.432 50 0 HGAAMO CCOc1ccc(NC2CC[NH+]([C@@H]3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)cc1 ZINC000100209928 559131894 /nfs/dbraw/zinc/13/18/94/559131894.db2.gz LTAVZZWYYZPJAC-OAQYLSRUSA-N 1 1 411.477 3.433 50 0 HGAAMO COc1ccc(C(=O)Nc2cccc(-c3ccc(N4CC[NH+](C)CC4)nn3)c2)cc1 ZINC000004939839 559212363 /nfs/dbraw/zinc/21/23/63/559212363.db2.gz GYHYHMLFWBJQFX-UHFFFAOYSA-N 1 1 403.486 3.156 50 0 HGAAMO C[NH+]1CCN(c2ccc(-c3cccc(NC(=O)c4ccc(F)cc4F)c3)nn2)CC1 ZINC000004939868 559212382 /nfs/dbraw/zinc/21/23/82/559212382.db2.gz NQYQMYWWHJODBJ-UHFFFAOYSA-N 1 1 409.440 3.426 50 0 HGAAMO COCCCN(C[C@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)c1cc(-c2ccncc2)n[nH]1 ZINC000409415102 559251019 /nfs/dbraw/zinc/25/10/19/559251019.db2.gz TYWNKCPILYIKAG-KNQAVFIVSA-N 1 1 411.550 3.215 50 0 HGAAMO COCCCN(C[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)c1cc(-c2ccncc2)[nH]n1 ZINC000409415102 559251021 /nfs/dbraw/zinc/25/10/21/559251021.db2.gz TYWNKCPILYIKAG-KNQAVFIVSA-N 1 1 411.550 3.215 50 0 HGAAMO COCCCN(C[C@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)c1cc(-c2ccncc2)[nH]n1 ZINC000409415102 559251023 /nfs/dbraw/zinc/25/10/23/559251023.db2.gz TYWNKCPILYIKAG-KNQAVFIVSA-N 1 1 411.550 3.215 50 0 HGAAMO COC(=O)c1ccc(C[N@@H+]2CCOc3ccc(CN4C[C@@H](C)O[C@@H](C)C4)cc3C2)cc1 ZINC000011997352 559270332 /nfs/dbraw/zinc/27/03/32/559270332.db2.gz INDXWUVVXFHCPQ-KDURUIRLSA-N 1 1 424.541 3.477 50 0 HGAAMO COC(=O)c1ccc(C[N@H+]2CCOc3ccc(CN4C[C@@H](C)O[C@@H](C)C4)cc3C2)cc1 ZINC000011997352 559270334 /nfs/dbraw/zinc/27/03/34/559270334.db2.gz INDXWUVVXFHCPQ-KDURUIRLSA-N 1 1 424.541 3.477 50 0 HGAAMO COC(=O)c1ccc(CN2CCOc3ccc(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)cc3C2)cc1 ZINC000011997352 559270336 /nfs/dbraw/zinc/27/03/36/559270336.db2.gz INDXWUVVXFHCPQ-KDURUIRLSA-N 1 1 424.541 3.477 50 0 HGAAMO COC(=O)c1ccc(CN2CCOc3ccc(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)cc3C2)cc1 ZINC000011997352 559270338 /nfs/dbraw/zinc/27/03/38/559270338.db2.gz INDXWUVVXFHCPQ-KDURUIRLSA-N 1 1 424.541 3.477 50 0 HGAAMO COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000005562675 560618768 /nfs/dbraw/zinc/61/87/68/560618768.db2.gz ZEBNQWBYTDNARX-CQSZACIVSA-N 1 1 407.470 3.348 50 0 HGAAMO COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000005562675 560618769 /nfs/dbraw/zinc/61/87/69/560618769.db2.gz ZEBNQWBYTDNARX-CQSZACIVSA-N 1 1 407.470 3.348 50 0 HGAAMO Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)[N@H+](C)CCOc1ccc(Cl)cc1 ZINC000017287643 560705930 /nfs/dbraw/zinc/70/59/30/560705930.db2.gz AQHUZKFMIXRRTD-QGZVFWFLSA-N 1 1 417.937 3.411 50 0 HGAAMO Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)[N@@H+](C)CCOc1ccc(Cl)cc1 ZINC000017287643 560705933 /nfs/dbraw/zinc/70/59/33/560705933.db2.gz AQHUZKFMIXRRTD-QGZVFWFLSA-N 1 1 417.937 3.411 50 0 HGAAMO COCCN(C[C@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)c1[nH]nc2c1COc1ccccc1-2 ZINC000409414044 560723250 /nfs/dbraw/zinc/72/32/50/560723250.db2.gz MXKDTEPHUHMETM-XLIONFOSSA-N 1 1 424.545 3.322 50 0 HGAAMO COCCN(C[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)c1n[nH]c2c1COc1ccccc1-2 ZINC000409414044 560723251 /nfs/dbraw/zinc/72/32/51/560723251.db2.gz MXKDTEPHUHMETM-XLIONFOSSA-N 1 1 424.545 3.322 50 0 HGAAMO COCCN(C[C@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)c1n[nH]c2c1COc1ccccc1-2 ZINC000409414044 560723252 /nfs/dbraw/zinc/72/32/52/560723252.db2.gz MXKDTEPHUHMETM-XLIONFOSSA-N 1 1 424.545 3.322 50 0 HGAAMO O=c1cc(C[N@@H+]2CCc3ccccc3C2)nc2[nH]c(NCc3ccc(Cl)cc3)nn21 ZINC000101795878 560801334 /nfs/dbraw/zinc/80/13/34/560801334.db2.gz DXKVSXCKEFCVCZ-UHFFFAOYSA-N 1 1 420.904 3.241 50 0 HGAAMO O=c1cc(C[N@H+]2CCc3ccccc3C2)nc2[nH]c(NCc3ccc(Cl)cc3)nn21 ZINC000101795878 560801337 /nfs/dbraw/zinc/80/13/37/560801337.db2.gz DXKVSXCKEFCVCZ-UHFFFAOYSA-N 1 1 420.904 3.241 50 0 HGAAMO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(Br)s1)c1cccc(F)c1 ZINC000047032806 560879888 /nfs/dbraw/zinc/87/98/88/560879888.db2.gz PONZQJLXKHCDRY-GFCCVEGCSA-N 1 1 407.330 3.231 50 0 HGAAMO O=C(CCc1ccccc1Br)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000108141127 560898077 /nfs/dbraw/zinc/89/80/77/560898077.db2.gz NFWBWQJZRLZGPZ-RBUKOAKNSA-N 1 1 417.347 3.133 50 0 HGAAMO COc1cc(C[N@H+](Cc2cc(=O)n3ccccc3n2)CC(C)C)cc(OC)c1OC ZINC000045974058 568422788 /nfs/dbraw/zinc/42/27/88/568422788.db2.gz GKKNGCHIMCAOGH-UHFFFAOYSA-N 1 1 411.502 3.379 50 0 HGAAMO C[C@H](CNC(=O)Nc1nnc(-c2ccccn2)s1)[N@@H+]1CCc2sccc2C1 ZINC000047791016 568431313 /nfs/dbraw/zinc/43/13/13/568431313.db2.gz CVVQZKTUYHICCC-GFCCVEGCSA-N 1 1 400.533 3.230 50 0 HGAAMO C[C@H](CNC(=O)Nc1nnc(-c2ccccn2)s1)[N@H+]1CCc2sccc2C1 ZINC000047791016 568431315 /nfs/dbraw/zinc/43/13/15/568431315.db2.gz CVVQZKTUYHICCC-GFCCVEGCSA-N 1 1 400.533 3.230 50 0 HGAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(F)cc1I ZINC000048159034 568432212 /nfs/dbraw/zinc/43/22/12/568432212.db2.gz MYGOHTAMGUDKMN-GFCCVEGCSA-N 1 1 404.267 3.425 50 0 HGAAMO CC(C)CNC(=O)[C@H]1CCC[N@@H+](Cc2cc(=O)n3c(-c4ccccc4)csc3n2)C1 ZINC000048289565 568434981 /nfs/dbraw/zinc/43/49/81/568434981.db2.gz VVQLPMWCDDBMBL-SFHVURJKSA-N 1 1 424.570 3.407 50 0 HGAAMO Cc1oc(-c2cccc(C)c2)nc1CSCC(=O)NCCC[NH+]1CCOCC1 ZINC000020241302 568595937 /nfs/dbraw/zinc/59/59/37/568595937.db2.gz KKAUVGUSKYEFLG-UHFFFAOYSA-N 1 1 403.548 3.030 50 0 HGAAMO C[N@H+](Cc1ccccc1)C[C@@H](O)CN1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000095408259 568606364 /nfs/dbraw/zinc/60/63/64/568606364.db2.gz QMAJSKZMIOQYGY-HSZRJFAPSA-N 1 1 417.553 3.091 50 0 HGAAMO CC[N@H+](C)[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1 ZINC000095446994 568612181 /nfs/dbraw/zinc/61/21/81/568612181.db2.gz IYQQAHUDZBLHRI-FQEVSTJZSA-N 1 1 401.532 3.103 50 0 HGAAMO CC[N@@H+](C)[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1 ZINC000095446994 568612184 /nfs/dbraw/zinc/61/21/84/568612184.db2.gz IYQQAHUDZBLHRI-FQEVSTJZSA-N 1 1 401.532 3.103 50 0 HGAAMO CNC(=O)[C@H]1CCCN1C(=O)Nc1ccc(C[N@@H+](C[C@@H]2CCCCO2)C(C)C)cc1 ZINC000095460782 568620479 /nfs/dbraw/zinc/62/04/79/568620479.db2.gz RTIZAPRRXLLGSQ-LEWJYISDSA-N 1 1 416.566 3.208 50 0 HGAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc(CN2C(=O)CSc3ncccc32)cc1 ZINC000020934594 568652227 /nfs/dbraw/zinc/65/22/27/568652227.db2.gz WVNZSYRVVSVTNR-KRWDZBQOSA-N 1 1 424.570 3.325 50 0 HGAAMO CCCC[N@@H+](CC)CCCNC(=O)C1CCN(c2nnc(-n3cccc3)s2)CC1 ZINC000020942573 568652942 /nfs/dbraw/zinc/65/29/42/568652942.db2.gz ZMUQNFBALYZFOT-UHFFFAOYSA-N 1 1 418.611 3.174 50 0 HGAAMO Cc1ccccc1Oc1ccc(S(=O)(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000096099730 568690720 /nfs/dbraw/zinc/69/07/20/568690720.db2.gz VZHLSWBFNZQAMU-IBGZPJMESA-N 1 1 416.543 3.007 50 0 HGAAMO O=S(=O)(c1ccc(-c2cccc(Cl)c2)cc1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000096099733 568690832 /nfs/dbraw/zinc/69/08/32/568690832.db2.gz RXSUKFQLJKHRLA-HXUWFJFHSA-N 1 1 420.962 3.227 50 0 HGAAMO Cc1c(C(=O)[O-])sc2ncnc(NCCC[NH+]3CCC([NH+]4CCCCC4)CC3)c12 ZINC000021651071 568710448 /nfs/dbraw/zinc/71/04/48/568710448.db2.gz UQUUFUUSHRIMJJ-UHFFFAOYSA-N 1 1 417.579 3.450 50 0 HGAAMO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1ccc(N(C)C(=O)OC(C)(C)C)s1 ZINC000242273739 568732559 /nfs/dbraw/zinc/73/25/59/568732559.db2.gz YFNSXVJXRZZFGU-CQSZACIVSA-N 1 1 411.568 3.037 50 0 HGAAMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1ccc(N(C)C(=O)OC(C)(C)C)s1 ZINC000242273739 568732561 /nfs/dbraw/zinc/73/25/61/568732561.db2.gz YFNSXVJXRZZFGU-CQSZACIVSA-N 1 1 411.568 3.037 50 0 HGAAMO C[N@H+](CC(=O)Nc1ccc(OC(F)F)cc1)Cc1ccccc1N1CCOCC1 ZINC000015038394 568747870 /nfs/dbraw/zinc/74/78/70/568747870.db2.gz HPTFBMCLDAOWIZ-UHFFFAOYSA-N 1 1 405.445 3.195 50 0 HGAAMO C[N@@H+](CC(=O)Nc1ccc(OC(F)F)cc1)Cc1ccccc1N1CCOCC1 ZINC000015038394 568747872 /nfs/dbraw/zinc/74/78/72/568747872.db2.gz HPTFBMCLDAOWIZ-UHFFFAOYSA-N 1 1 405.445 3.195 50 0 HGAAMO CC[NH+]1CCN(c2nnc(-n3cccc3CNc3ccc(F)cc3F)s2)CC1 ZINC000021880841 568757124 /nfs/dbraw/zinc/75/71/24/568757124.db2.gz RPADQTBDXNAMRH-UHFFFAOYSA-N 1 1 404.490 3.361 50 0 HGAAMO CC[N@@H+](CCCNS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)Cc1ccccc1 ZINC000021888067 568758830 /nfs/dbraw/zinc/75/88/30/568758830.db2.gz JAHKYLNBBBBGQE-UHFFFAOYSA-N 1 1 415.559 3.152 50 0 HGAAMO Cc1ccccc1C[NH+]1CCN(C(=O)C2CCN(C(=O)c3cccs3)CC2)CC1 ZINC000025454342 568769960 /nfs/dbraw/zinc/76/99/60/568769960.db2.gz PXDVRYDUCSMJMH-UHFFFAOYSA-N 1 1 411.571 3.253 50 0 HGAAMO CN(C[C@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)c1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000299754452 568782195 /nfs/dbraw/zinc/78/21/95/568782195.db2.gz PYDXUZVLGDPNIJ-MJGOQNOKSA-N 1 1 410.518 3.184 50 0 biogenic HGAAMO COc1ccc(-c2n[nH]cc2C(=O)N(C)C[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1OC ZINC000299754484 568782199 /nfs/dbraw/zinc/78/21/99/568782199.db2.gz WCNHTZWYBUIBRT-MJGOQNOKSA-N 1 1 412.534 3.430 50 0 biogenic HGAAMO C[C@@H]1CCCCN1S(=O)(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000056124623 568786435 /nfs/dbraw/zinc/78/64/35/568786435.db2.gz IQLULKQBKSJKGL-OAHLLOKOSA-N 1 1 419.513 3.379 50 0 HGAAMO CC[N@@H+](CC(=O)NCc1ccc(F)cc1)C[C@H](O)COc1ccccc1C(C)C ZINC000002641606 568793883 /nfs/dbraw/zinc/79/38/83/568793883.db2.gz AWEZXIWWULFRIG-FQEVSTJZSA-N 1 1 402.510 3.327 50 0 HGAAMO CC[N@H+](CC(=O)NCc1ccc(F)cc1)C[C@H](O)COc1ccccc1C(C)C ZINC000002641606 568793885 /nfs/dbraw/zinc/79/38/85/568793885.db2.gz AWEZXIWWULFRIG-FQEVSTJZSA-N 1 1 402.510 3.327 50 0 HGAAMO Cc1ccc(NC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2N2CCOCC2)c(C)c1 ZINC000029404070 568825033 /nfs/dbraw/zinc/82/50/33/568825033.db2.gz OVCRMZKVVIWYRB-LJQANCHMSA-N 1 1 424.545 3.309 50 0 HGAAMO Cc1ccc(NC(=O)NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2N2CCOCC2)c(C)c1 ZINC000029404070 568825035 /nfs/dbraw/zinc/82/50/35/568825035.db2.gz OVCRMZKVVIWYRB-LJQANCHMSA-N 1 1 424.545 3.309 50 0 HGAAMO C[C@@H](NCc1ccccc1C[NH+]1CCCC1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000057293316 568826229 /nfs/dbraw/zinc/82/62/29/568826229.db2.gz SICGCOWSGAAYFV-HXUWFJFHSA-N 1 1 422.573 3.236 50 0 HGAAMO Cc1ccc(C(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)cc1NS(C)(=O)=O ZINC000012526049 568843051 /nfs/dbraw/zinc/84/30/51/568843051.db2.gz VZVYWMHPEOBNNG-UHFFFAOYSA-N 1 1 422.576 3.451 50 0 HGAAMO C[C@@H]1CCc2c(sc3nc(CC[NH+]4CCN(c5nccs5)CC4)nc(N)c23)C1 ZINC000057727622 568858846 /nfs/dbraw/zinc/85/88/46/568858846.db2.gz ARVGIAJOQNZZRA-CYBMUJFWSA-N 1 1 414.604 3.220 50 0 HGAAMO CN(Cc1ccon1)Cc1cccc(OC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000012612824 568871891 /nfs/dbraw/zinc/87/18/91/568871891.db2.gz KUBNZQAZINIPSB-QHCPKHFHSA-N 1 1 407.514 3.105 50 0 HGAAMO CCCCNC(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000004047351 568880366 /nfs/dbraw/zinc/88/03/66/568880366.db2.gz ZGZBWUSZKAEWNH-TZYHBYERSA-N 1 1 404.551 3.288 50 0 biogenic HGAAMO CCCCNC(=O)C[N@H+]1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000004047351 568880367 /nfs/dbraw/zinc/88/03/67/568880367.db2.gz ZGZBWUSZKAEWNH-TZYHBYERSA-N 1 1 404.551 3.288 50 0 biogenic HGAAMO COc1cc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)NCc2ccccc2)ccc1O ZINC000004061098 568937214 /nfs/dbraw/zinc/93/72/14/568937214.db2.gz VRIZZBHMPMVZAN-OPXMRZJTSA-N 1 1 424.541 3.385 50 0 biogenic HGAAMO COc1cc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)NCc2ccccc2)ccc1O ZINC000004061098 568937216 /nfs/dbraw/zinc/93/72/16/568937216.db2.gz VRIZZBHMPMVZAN-OPXMRZJTSA-N 1 1 424.541 3.385 50 0 biogenic HGAAMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)Nc1ccc(OC2CCCC2)cc1 ZINC000084613424 568952803 /nfs/dbraw/zinc/95/28/03/568952803.db2.gz LNYLIRXNUWMQLD-UHFFFAOYSA-N 1 1 424.549 3.132 50 0 HGAAMO Cc1cc2cc(C(=O)N[C@@H]3C4CN5CC3(c3ccccc3)C[N@@H+](C4)CC5)ccc2o1 ZINC000670466916 568972954 /nfs/dbraw/zinc/97/29/54/568972954.db2.gz BSZDWPFGKHEEID-JKJRPBHFSA-N 1 1 401.510 3.039 50 0 HGAAMO O[C@H](COCCOc1ccc(Br)cc1)C[N@H+]1CCc2ccccc2C1 ZINC000004305291 568977055 /nfs/dbraw/zinc/97/70/55/568977055.db2.gz NNJFKJJMJUZTET-IBGZPJMESA-N 1 1 406.320 3.264 50 0 HGAAMO Cc1ccc(CNC(=O)[C@H](C)[NH+]2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000012808801 568980733 /nfs/dbraw/zinc/98/07/33/568980733.db2.gz KLOXEBPFVDWTKZ-SFHVURJKSA-N 1 1 422.525 3.366 50 0 HGAAMO CC(C)[NH+]1CCC(N2CCN(Cc3ccc(C(F)(F)F)cc3)C[C@H]2CCO)CC1 ZINC000104389396 569008532 /nfs/dbraw/zinc/00/85/32/569008532.db2.gz YBIWAEZTFIKQNX-OAQYLSRUSA-N 1 1 413.528 3.447 50 0 HGAAMO C[C@H](C(=O)NCc1ccccc1)[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000016422277 569048207 /nfs/dbraw/zinc/04/82/07/569048207.db2.gz ACDCNXGMJLWWQY-MRXNPFEDSA-N 1 1 406.452 3.317 50 0 HGAAMO C[C@H](C(=O)NCc1ccccc1)[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000016422277 569048208 /nfs/dbraw/zinc/04/82/08/569048208.db2.gz ACDCNXGMJLWWQY-MRXNPFEDSA-N 1 1 406.452 3.317 50 0 HGAAMO COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)NCCC[N@H+]1CCC[C@@H](C)C1 ZINC000007005180 569051726 /nfs/dbraw/zinc/05/17/26/569051726.db2.gz WJPLHJXPELWNIX-OAHLLOKOSA-N 1 1 407.536 3.059 50 0 HGAAMO Cc1nccn1-c1cc(CNC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)ccn1 ZINC000053397893 569052720 /nfs/dbraw/zinc/05/27/20/569052720.db2.gz AMKSWGYLQAAAKA-QZTJIDSGSA-N 1 1 419.529 3.115 50 0 HGAAMO CCc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1 ZINC000013056041 569052838 /nfs/dbraw/zinc/05/28/38/569052838.db2.gz WUVKBQCIVMOZGK-KRWDZBQOSA-N 1 1 417.575 3.267 50 0 HGAAMO CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000240871443 569054618 /nfs/dbraw/zinc/05/46/18/569054618.db2.gz IKPGIWCZSXJBSX-UPVQGACJSA-N 1 1 407.558 3.220 50 0 HGAAMO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@@H](O)COCc1ccccc1F ZINC000241590542 569054809 /nfs/dbraw/zinc/05/48/09/569054809.db2.gz PFUQRTJZTMYNFS-PDXXHEQOSA-N 1 1 400.538 3.449 50 0 HGAAMO Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@@H+]4[C@]4(C(=O)Nc5c4cccc5Cl)[C@H]3C2=O)cc1 ZINC000248097245 569057569 /nfs/dbraw/zinc/05/75/69/569057569.db2.gz IPEAJXZTUBESII-JFNLIGNMSA-N 1 1 421.884 3.080 50 0 HGAAMO Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@H+]4[C@]4(C(=O)Nc5c4cccc5Cl)[C@H]3C2=O)cc1 ZINC000248097245 569057570 /nfs/dbraw/zinc/05/75/70/569057570.db2.gz IPEAJXZTUBESII-JFNLIGNMSA-N 1 1 421.884 3.080 50 0 HGAAMO COc1ccc(-c2nc(C(=O)N3CCCC[C@H]([NH+]4CCN(C)CC4)C3)cs2)cc1 ZINC000089382638 569058840 /nfs/dbraw/zinc/05/88/40/569058840.db2.gz BYPSTRTUEFIIRW-SFHVURJKSA-N 1 1 414.575 3.061 50 0 HGAAMO Cc1noc(C)c1CN1CCc2c(C(=O)N(C)C[C@H]3CCCC[N@H+]3C)csc2C1 ZINC000426432065 569072912 /nfs/dbraw/zinc/07/29/12/569072912.db2.gz VFCBDXGLZQGZBX-QGZVFWFLSA-N 1 1 416.591 3.468 50 0 HGAAMO CCOC(=O)C1=C(C[NH+]2CCC(C)CC2)N(CC)C(=O)N[C@H]1c1ccccc1F ZINC000035991080 569074645 /nfs/dbraw/zinc/07/46/45/569074645.db2.gz XBAOSSOMDCVIIL-FQEVSTJZSA-N 1 1 403.498 3.461 50 0 HGAAMO Cc1[nH+]c2cc3c(cc2n1CC(=O)N[C@H](C)c1ccc2c(c1)OCCCO2)OCCO3 ZINC000064794917 569096242 /nfs/dbraw/zinc/09/62/42/569096242.db2.gz CNTNPXRTZHTZAG-CQSZACIVSA-N 1 1 423.469 3.155 50 0 HGAAMO Cc1nc2cc(C(=O)NCC[N@@H+]3CCCC[C@@H]3C)ccc2n(Cc2ccccc2)c1=O ZINC000064859413 569109419 /nfs/dbraw/zinc/10/94/19/569109419.db2.gz MLFPSCLCADDHRP-SFHVURJKSA-N 1 1 418.541 3.357 50 0 HGAAMO C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@@H](C[NH+]4CCN(Cc5ccccc5)CC4)[C@H]3[C@@H](O)[C@@]21C ZINC000019369856 569124498 /nfs/dbraw/zinc/12/44/98/569124498.db2.gz WRMKBSBJQCLVBI-VGUVQKNXSA-N 1 1 424.585 3.089 50 0 biogenic HGAAMO Cc1ccc(NC(=O)CCc2nc(C3=CC[N@@H+](C)CC3)no2)c(Br)c1 ZINC000006800212 569126973 /nfs/dbraw/zinc/12/69/73/569126973.db2.gz ZHOFHWNVCUXNAH-UHFFFAOYSA-N 1 1 405.296 3.431 50 0 HGAAMO CC[C@H](C)N(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)C(=O)COC ZINC000036312165 569132748 /nfs/dbraw/zinc/13/27/48/569132748.db2.gz JFRLRLMWUIKCKQ-INIZCTEOSA-N 1 1 418.513 3.006 50 0 HGAAMO Cc1ccccc1[C@@H]1CC(c2cccc(F)c2)=NN1C(=O)C[NH+]1CCC(C(N)=O)CC1 ZINC000036343133 569142214 /nfs/dbraw/zinc/14/22/14/569142214.db2.gz HITPAKPJQMTHAW-QFIPXVFZSA-N 1 1 422.504 3.009 50 0 HGAAMO O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1ccc2c(c1)OCO2)NCc1ccccc1 ZINC000006927385 569183634 /nfs/dbraw/zinc/18/36/34/569183634.db2.gz OAPSQBRBZODEOZ-DCEDVJGZSA-N 1 1 422.525 3.400 50 0 biogenic HGAAMO O=C(C[N@H+]1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1ccc2c(c1)OCO2)NCc1ccccc1 ZINC000006927385 569183635 /nfs/dbraw/zinc/18/36/35/569183635.db2.gz OAPSQBRBZODEOZ-DCEDVJGZSA-N 1 1 422.525 3.400 50 0 biogenic HGAAMO COc1ccc2[nH]c(=O)c(CCC(=O)NCC[N@H+]3CCc4ccccc4C3)cc2c1 ZINC000065245554 569205273 /nfs/dbraw/zinc/20/52/73/569205273.db2.gz XUUZCRWGIVIYTQ-UHFFFAOYSA-N 1 1 405.498 3.056 50 0 HGAAMO COc1ccc(-c2nc(-c3ccc4c(c3)ncn4CC[NH+]3CCOCC3)no2)c(C)c1 ZINC000065255095 569207611 /nfs/dbraw/zinc/20/76/11/569207611.db2.gz GLPNFPDNVIWVHG-UHFFFAOYSA-N 1 1 419.485 3.403 50 0 HGAAMO C[C@H]1CN(C(=O)c2cccc(-n3nccc3-c3ccccc3)c2)CC[N@H+]1CC(C)(C)O ZINC000170602689 569243702 /nfs/dbraw/zinc/24/37/02/569243702.db2.gz DDNVCGNCXUWTBV-IBGZPJMESA-N 1 1 418.541 3.457 50 0 HGAAMO CC(C)(Oc1ccc(F)cc1)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000170613590 569246956 /nfs/dbraw/zinc/24/69/56/569246956.db2.gz FGRKZRPEVAULRU-OAQYLSRUSA-N 1 1 400.494 3.390 50 0 HGAAMO CCOCCC[N@H+]1CC[C@@H](N2C(=O)CN(Cc3ccc(Cl)cc3)C2=O)[C@@H](C)C1 ZINC000252551326 569294179 /nfs/dbraw/zinc/29/41/79/569294179.db2.gz UCENJBIKSGKDRS-QFBILLFUSA-N 1 1 407.942 3.241 50 0 HGAAMO COc1cc(C(C)=O)ccc1OCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000252587219 569294864 /nfs/dbraw/zinc/29/48/64/569294864.db2.gz WJPHAQKMPWMYMB-DYESRHJHSA-N 1 1 410.514 3.303 50 0 HGAAMO COC(=O)[C@@H]1C(=O)O[C@]2(C)C[N@H+](Cc3ccccc3)[C@H](c3ccccc3OC)C[C@@H]12 ZINC000252607826 569297785 /nfs/dbraw/zinc/29/77/85/569297785.db2.gz HEUNBANUVDXSGE-JGUFOIBDSA-N 1 1 409.482 3.363 50 0 HGAAMO CC[N@H+]1CCCC[C@H]1CNC(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000253424168 569368129 /nfs/dbraw/zinc/36/81/29/569368129.db2.gz BJPFRDAMCPEPAV-HNNXBMFYSA-N 1 1 422.327 3.173 50 0 HGAAMO C[C@H](C(=O)NCc1ccc(F)cc1)[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000027543630 569371972 /nfs/dbraw/zinc/37/19/72/569371972.db2.gz NJFUFISCOLQYIF-OAHLLOKOSA-N 1 1 424.442 3.457 50 0 HGAAMO C[C@H](C(=O)NCc1ccc(F)cc1)[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000027543630 569371973 /nfs/dbraw/zinc/37/19/73/569371973.db2.gz NJFUFISCOLQYIF-OAHLLOKOSA-N 1 1 424.442 3.457 50 0 HGAAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cc4c(cc2Br)OCO4)N3)C1 ZINC000002311661 569373905 /nfs/dbraw/zinc/37/39/05/569373905.db2.gz DZDSTWKDEIBPOD-OAHLLOKOSA-N 1 1 422.304 3.081 50 0 HGAAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cc4c(cc2Br)OCO4)N3)C1 ZINC000002311661 569373906 /nfs/dbraw/zinc/37/39/06/569373906.db2.gz DZDSTWKDEIBPOD-OAHLLOKOSA-N 1 1 422.304 3.081 50 0 HGAAMO C[C@@H]([C@@H](O)c1ccccc1)[N@@H+](C)C[C@@H]1C(=O)O[C@@H]2CC3=CCC[C@@H](C)[C@@]3(C)[C@H](O)[C@H]12 ZINC000012660016 569402632 /nfs/dbraw/zinc/40/26/32/569402632.db2.gz SYTZVGPWDLPTPO-GXNVDWLQSA-N 1 1 413.558 3.325 50 0 biogenic HGAAMO CCc1nnc(-c2ccc(NC(=O)NC[C@@H](CC(C)C)[NH+]3CCOCC3)cc2)o1 ZINC000078975085 569422639 /nfs/dbraw/zinc/42/26/39/569422639.db2.gz MPWQEVNQEQQMTE-GOSISDBHSA-N 1 1 401.511 3.167 50 0 HGAAMO CC(C)n1ncc2cc(S(=O)(=O)NC[C@@H](c3ccc(F)cc3)[NH+](C)C)ccc21 ZINC000079111041 569428067 /nfs/dbraw/zinc/42/80/67/569428067.db2.gz UEHFGOQJODFKNN-FQEVSTJZSA-N 1 1 404.511 3.338 50 0 HGAAMO CCOC(=O)C1=C(C[NH+]2CCCCCC2)NC(=O)N[C@@H]1c1ccccc1OCC ZINC000067286819 571064860 /nfs/dbraw/zinc/06/48/60/571064860.db2.gz HMGYCUSVVGLUCD-HXUWFJFHSA-N 1 1 401.507 3.132 50 0 HGAAMO CC(C)(C)NC(=O)C[N@H+]1CCCN(c2nc(-c3cccnc3)nc3ccccc32)CC1 ZINC000008726321 571108430 /nfs/dbraw/zinc/10/84/30/571108430.db2.gz RJIPMRMBPJDIMO-UHFFFAOYSA-N 1 1 418.545 3.119 50 0 HGAAMO Cc1nn(-c2ccccc2)c(C)c1CNC(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000040071912 571152599 /nfs/dbraw/zinc/15/25/99/571152599.db2.gz FKNCRAACTWPGAM-NRFANRHFSA-N 1 1 413.566 3.035 50 0 HGAAMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2ccc(CS(C)(=O)=O)cc2)C1 ZINC000040107112 571167567 /nfs/dbraw/zinc/16/75/67/571167567.db2.gz FSZYCOMHSFIOPK-SFHVURJKSA-N 1 1 414.571 3.393 50 0 HGAAMO CCOc1ccc(N2C[C@H](C(=O)NCCCC[N@H+]3CCCC[C@@H]3C)CC2=O)cc1 ZINC000040108152 571168043 /nfs/dbraw/zinc/16/80/43/571168043.db2.gz QXHIVMDJNHJBNT-RBUKOAKNSA-N 1 1 401.551 3.209 50 0 HGAAMO Cc1[nH]c2c(cccc2C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c1C ZINC000040111520 571169834 /nfs/dbraw/zinc/16/98/34/571169834.db2.gz GFRAEYUILOKVLR-UHFFFAOYSA-N 1 1 404.514 3.102 50 0 HGAAMO O=C1CCCC[C@H]1N1CCC([NH+]2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC1 ZINC000244975228 571211362 /nfs/dbraw/zinc/21/13/62/571211362.db2.gz IHILJPQZXYOGHP-GOSISDBHSA-N 1 1 410.484 3.199 50 0 HGAAMO Cc1c(C(=O)N2CCCCC2)nnn1-c1cccc2c1CC[N@@H+](Cc1ccncc1)C2 ZINC000069922917 571249819 /nfs/dbraw/zinc/24/98/19/571249819.db2.gz JQOSJGCOOGNXGH-UHFFFAOYSA-N 1 1 416.529 3.155 50 0 HGAAMO Cc1cc(C(=O)CCC(=O)NCc2ccc(N3CCC[N@H+](C)CC3)nc2)c(C)s1 ZINC000070037572 571254744 /nfs/dbraw/zinc/25/47/44/571254744.db2.gz KMORQZHQCPKUJX-UHFFFAOYSA-N 1 1 414.575 3.181 50 0 HGAAMO Cc1c(C)n(-c2nc3ccccc3s2)c2ncn(CCC[NH+]3CCOCC3)c(=N)c12 ZINC000009531502 571267026 /nfs/dbraw/zinc/26/70/26/571267026.db2.gz RDQZACQFHUTNNF-UHFFFAOYSA-N 1 1 422.558 3.255 50 0 HGAAMO O=C(C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)N1CC(=O)Nc2ccccc21 ZINC000008249063 132329020 /nfs/dbraw/zinc/32/90/20/132329020.db2.gz KUKHFRSBPSQBDQ-OAHLLOKOSA-N 1 1 406.511 3.461 50 0 HGAAMO O=C(C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)N1CC(=O)Nc2ccccc21 ZINC000008249063 132329023 /nfs/dbraw/zinc/32/90/23/132329023.db2.gz KUKHFRSBPSQBDQ-OAHLLOKOSA-N 1 1 406.511 3.461 50 0 HGAAMO CCn1ccnc1C[NH+]1CCC(CCC(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000011818871 132351006 /nfs/dbraw/zinc/35/10/06/132351006.db2.gz BCQSGYVVDGJWEI-UHFFFAOYSA-N 1 1 409.578 3.244 50 0 HGAAMO O=C(N[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1)c1ccc(N2CCOCC2)cc1 ZINC000012307876 132358300 /nfs/dbraw/zinc/35/83/00/132358300.db2.gz YFJDDEGSIGHFJK-HSZRJFAPSA-N 1 1 407.558 3.350 50 0 HGAAMO C[C@H]1CCc2c(sc3nc(CC[NH+]4CCN(c5ccccn5)CC4)nc(N)c23)C1 ZINC000012606718 132365087 /nfs/dbraw/zinc/36/50/87/132365087.db2.gz BUSUPTNBXZHLMR-HNNXBMFYSA-N 1 1 408.575 3.158 50 0 HGAAMO CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000032399032 519798320 /nfs/dbraw/zinc/79/83/20/519798320.db2.gz LQSSUHLMADYJJS-JOCHJYFZSA-N 1 1 411.521 3.145 50 0 HGAAMO CCOC(=O)C1=C(C[N@@H+]2CC[C@@H](c3ccccc3)C2)NC(=O)N[C@@H]1c1cccs1 ZINC000020559170 520516636 /nfs/dbraw/zinc/51/66/36/520516636.db2.gz JCTRTFKUPYSGHS-OXQOHEQNSA-N 1 1 411.527 3.409 50 0 HGAAMO CCOC(=O)C1=C(C[N@H+]2CC[C@@H](c3ccccc3)C2)NC(=O)N[C@@H]1c1cccs1 ZINC000020559170 520516644 /nfs/dbraw/zinc/51/66/44/520516644.db2.gz JCTRTFKUPYSGHS-OXQOHEQNSA-N 1 1 411.527 3.409 50 0 HGAAMO CCOC(=O)N1CCN([C@H]2CCC[N@@H+](CC3=Cc4cc(Cl)ccc4OC3)C2)CC1 ZINC000020540301 520962326 /nfs/dbraw/zinc/96/23/26/520962326.db2.gz WITDILJSJTVVLI-FQEVSTJZSA-N 1 1 419.953 3.354 50 0 HGAAMO CC[N@@H+]1CCc2nc(NC(=O)Cc3csc(NC(=O)c4ccco4)n3)sc2C1 ZINC000043767237 521724809 /nfs/dbraw/zinc/72/48/09/521724809.db2.gz OPFQRZBNIVKHAA-UHFFFAOYSA-N 1 1 417.516 3.004 50 0 HGAAMO CC[N@H+]1CCc2nc(NC(=O)Cc3csc(NC(=O)c4ccco4)n3)sc2C1 ZINC000043767237 521724810 /nfs/dbraw/zinc/72/48/10/521724810.db2.gz OPFQRZBNIVKHAA-UHFFFAOYSA-N 1 1 417.516 3.004 50 0 HGAAMO COc1cc(OC)c(C2=CC[N@H+](C[C@H](O)COc3ccccc3F)CC2)c(OC)c1 ZINC000032860413 522789773 /nfs/dbraw/zinc/78/97/73/522789773.db2.gz VIEZWWXPGROTOJ-KRWDZBQOSA-N 1 1 417.477 3.381 50 0 HGAAMO COc1cc(OC)c(C2=CC[N@@H+](C[C@H](O)COc3ccccc3F)CC2)c(OC)c1 ZINC000032860413 522789780 /nfs/dbraw/zinc/78/97/80/522789780.db2.gz VIEZWWXPGROTOJ-KRWDZBQOSA-N 1 1 417.477 3.381 50 0 HGAAMO Cc1ccccc1C[NH+]1CCN(C(=O)[C@@H](NC(=O)Nc2ccccc2)C(C)C)CC1 ZINC000032676109 525144954 /nfs/dbraw/zinc/14/49/54/525144954.db2.gz GSBTZVHOMZWBKK-QFIPXVFZSA-N 1 1 408.546 3.486 50 0 HGAAMO O=C(C1CC1)N1CCC(C(=O)N2CC[NH+](Cc3csc4ccccc34)CC2)CC1 ZINC000032757171 526283636 /nfs/dbraw/zinc/28/36/36/526283636.db2.gz MOZIWHVQKRDGMJ-UHFFFAOYSA-N 1 1 411.571 3.194 50 0 HGAAMO O=C(C[NH+]1CCC(COCc2ccc(F)cc2)CC1)Nc1ccc2c(c1)OCO2 ZINC000077191533 526728700 /nfs/dbraw/zinc/72/87/00/526728700.db2.gz KOVYMQVLNRSZNE-UHFFFAOYSA-N 1 1 400.450 3.422 50 0 HGAAMO O=S(=O)(NC[C@H](c1ccco1)[NH+]1CCCC1)c1cccc(OC(F)(F)F)c1 ZINC000043580910 527227223 /nfs/dbraw/zinc/22/72/23/527227223.db2.gz ZDDRGMVEGHQVHO-OAHLLOKOSA-N 1 1 404.410 3.294 50 0 HGAAMO OCCCNc1nc(N2CC[NH+](C/C=C/c3ccccc3)CC2)nc2ccccc21 ZINC000041150418 527542166 /nfs/dbraw/zinc/54/21/66/527542166.db2.gz ZUQJFNRJJIJCRP-UXBLZVDNSA-N 1 1 403.530 3.260 50 0 HGAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)C1CCN(c2nc3ccccc3n3cccc23)CC1 ZINC000006782558 535559400 /nfs/dbraw/zinc/55/94/00/535559400.db2.gz XIROBNIRYHIUSE-LJQANCHMSA-N 1 1 405.546 3.304 50 0 HGAAMO Clc1ccc(-n2ncc3c2ncnc3NCCC[NH+]2CCOCC2)cc1Cl ZINC000022628104 557118955 /nfs/dbraw/zinc/11/89/55/557118955.db2.gz OCHNFYFGJYPPHI-UHFFFAOYSA-N 1 1 407.305 3.257 50 0 HGAAMO COCCN(C[C@H]1C[N@@H+](Cc2cccs2)C[C@H]1c1ccc(C)cc1)C(=O)COC ZINC000034740440 557443886 /nfs/dbraw/zinc/44/38/86/557443886.db2.gz IEUKMFGNDISNEL-IRLDBZIGSA-N 1 1 416.587 3.394 50 0 HGAAMO COCC(=O)N[C@H](C)[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccc(C)cc1 ZINC000034855629 557477003 /nfs/dbraw/zinc/47/70/03/557477003.db2.gz NWAPJTJVQBKXCT-OSPHWJPCSA-N 1 1 412.530 3.263 50 0 HGAAMO COCC(=O)N[C@H](C)[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccc(C)cc1 ZINC000034855629 557477005 /nfs/dbraw/zinc/47/70/05/557477005.db2.gz NWAPJTJVQBKXCT-OSPHWJPCSA-N 1 1 412.530 3.263 50 0 HGAAMO CC(=O)Nc1ccc(N2C(=O)C[C@@H]([NH2+]Cc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000034888385 557479823 /nfs/dbraw/zinc/47/98/23/557479823.db2.gz BOTOHBILPZRWNT-QGZVFWFLSA-N 1 1 406.269 3.374 50 0 HGAAMO CCOC(=O)C1CC[NH+]([C@H](c2ccc(F)cc2)c2c(O)cc(C)n(CC)c2=O)CC1 ZINC000022697155 557784084 /nfs/dbraw/zinc/78/40/84/557784084.db2.gz AAZXQEPTUFDVGX-OAQYLSRUSA-N 1 1 416.493 3.386 50 0 HGAAMO Cc1ncc2c(c1-c1noc(-c3ccc[nH]3)n1)CC[N@H+]([C@H](C)CCn1cccn1)C2 ZINC000019731128 558259532 /nfs/dbraw/zinc/25/95/32/558259532.db2.gz GJOMGONYZVXJOD-OAHLLOKOSA-N 1 1 403.490 3.469 50 0 HGAAMO COc1cc(C[N@@H+]2CCC[C@H](CNS(=O)(=O)Cc3ccccc3)C2)ccc1F ZINC000019733348 558260053 /nfs/dbraw/zinc/26/00/53/558260053.db2.gz JFGCBUVXLANNEV-LJQANCHMSA-N 1 1 406.523 3.166 50 0 HGAAMO COc1cc(C[N@H+]2CCC[C@H](CNS(=O)(=O)Cc3ccccc3)C2)ccc1F ZINC000019733348 558260056 /nfs/dbraw/zinc/26/00/56/558260056.db2.gz JFGCBUVXLANNEV-LJQANCHMSA-N 1 1 406.523 3.166 50 0 HGAAMO O=C(NCC[NH+]1CCCCC1)c1ccccc1OC1CCN(Cc2ccccn2)CC1 ZINC000011665068 558268535 /nfs/dbraw/zinc/26/85/35/558268535.db2.gz UHIXUAFDLRRWMV-UHFFFAOYSA-N 1 1 422.573 3.341 50 0 HGAAMO COc1ccc(CN(C)Cc2ccncc2C)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000011665250 558268745 /nfs/dbraw/zinc/26/87/45/558268745.db2.gz OALNVGJPNXJWGU-QFIPXVFZSA-N 1 1 413.562 3.256 50 0 HGAAMO COc1cccc(-c2cc(C(=O)NCCC[NH+]3CCOCC3)c3ccccc3n2)c1 ZINC000019759917 558276249 /nfs/dbraw/zinc/27/62/49/558276249.db2.gz QXSYNHKQQQCOJL-UHFFFAOYSA-N 1 1 405.498 3.363 50 0 HGAAMO CC(C)C[C@H](NC(=O)c1ccco1)c1nnc2n1CC[N@H+](Cc1ccccc1)CC2 ZINC000011910767 558296663 /nfs/dbraw/zinc/29/66/63/558296663.db2.gz ZPINOFVFIKJHCG-IBGZPJMESA-N 1 1 407.518 3.447 50 0 HGAAMO O=C(NCc1ccc(Cl)cc1)[C@@H]1CCC[N@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000012004066 558308731 /nfs/dbraw/zinc/30/87/31/558308731.db2.gz XVLMVUJOBDFMRK-GOSISDBHSA-N 1 1 403.954 3.069 50 0 HGAAMO COC(=O)CCC(=O)N(C)C[C@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000012025134 558309955 /nfs/dbraw/zinc/30/99/55/558309955.db2.gz SZKBGFKGTVEJCC-QGZVFWFLSA-N 1 1 414.468 3.372 50 0 HGAAMO CC(C)C(=O)N[C@H](C)c1nnc2n1CC[N@H+](Cc1cnc(-c3ccccc3)s1)CC2 ZINC000012034720 558311588 /nfs/dbraw/zinc/31/15/88/558311588.db2.gz IHLVIRNPCJHOPQ-MRXNPFEDSA-N 1 1 424.574 3.293 50 0 HGAAMO CN(C[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1)C(=O)CCN1CCCC1=O ZINC000012072669 558318012 /nfs/dbraw/zinc/31/80/12/558318012.db2.gz VRBMZAOYCSDDHR-IBGZPJMESA-N 1 1 405.970 3.065 50 0 HGAAMO COc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3F)C2)c(OC)c1OC ZINC000012074061 558318822 /nfs/dbraw/zinc/31/88/22/558318822.db2.gz XEBUQDKFTYTZPA-INIZCTEOSA-N 1 1 402.466 3.246 50 0 HGAAMO COc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)c(OC)c1OC ZINC000012074061 558318824 /nfs/dbraw/zinc/31/88/24/558318824.db2.gz XEBUQDKFTYTZPA-INIZCTEOSA-N 1 1 402.466 3.246 50 0 HGAAMO Cc1nn(C)cc1CN(C)Cc1ccccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012091518 558324127 /nfs/dbraw/zinc/32/41/27/558324127.db2.gz UXQLCWHKUYKCCW-HSZRJFAPSA-N 1 1 414.594 3.365 50 0 HGAAMO Cc1nn(C)cc1CN(C)Cc1ccccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012091515 558324273 /nfs/dbraw/zinc/32/42/73/558324273.db2.gz UXQLCWHKUYKCCW-QHCPKHFHSA-N 1 1 414.594 3.365 50 0 HGAAMO COc1ccccc1N1CCN([C@@H]2CCC[N@H+](Cc3ccc4nsnc4c3)C2)CC1 ZINC000020119085 558336791 /nfs/dbraw/zinc/33/67/91/558336791.db2.gz QNWVDPVAHZYNDK-LJQANCHMSA-N 1 1 423.586 3.487 50 0 HGAAMO COc1ccccc1N1CCN([C@@H]2CCC[N@@H+](Cc3ccc4nsnc4c3)C2)CC1 ZINC000020119085 558336792 /nfs/dbraw/zinc/33/67/92/558336792.db2.gz QNWVDPVAHZYNDK-LJQANCHMSA-N 1 1 423.586 3.487 50 0 HGAAMO O=C(NCCC[NH+]1CCOCC1)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc21 ZINC000020149312 558340168 /nfs/dbraw/zinc/34/01/68/558340168.db2.gz IGETXHVQNNWAQB-UHFFFAOYSA-N 1 1 419.481 3.083 50 0 HGAAMO Cc1ccc2c(c1)C[N@@H+](CCNC(=O)c1ccc(N3CCCC3=O)cc1)C[C@@H](C)O2 ZINC000012158467 558340969 /nfs/dbraw/zinc/34/09/69/558340969.db2.gz OBCMTOQTROWPDD-GOSISDBHSA-N 1 1 407.514 3.135 50 0 HGAAMO Cc1ccc2c(c1)C[N@H+](CCNC(=O)c1ccc(N3CCCC3=O)cc1)C[C@@H](C)O2 ZINC000012158467 558340973 /nfs/dbraw/zinc/34/09/73/558340973.db2.gz OBCMTOQTROWPDD-GOSISDBHSA-N 1 1 407.514 3.135 50 0 HGAAMO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)C1 ZINC000012193343 558348566 /nfs/dbraw/zinc/34/85/66/558348566.db2.gz LPUFYBWGKHPQFF-HXUWFJFHSA-N 1 1 422.573 3.197 50 0 HGAAMO C[N@H+]1CCC[C@H](CNC(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)C1 ZINC000012193343 558348569 /nfs/dbraw/zinc/34/85/69/558348569.db2.gz LPUFYBWGKHPQFF-HXUWFJFHSA-N 1 1 422.573 3.197 50 0 HGAAMO CCOc1ccccc1C[N@@H+]1CCN(Cc2ccc(OC)cc2F)[C@@H](CCO)C1 ZINC000020255592 558352270 /nfs/dbraw/zinc/35/22/70/558352270.db2.gz FQUAEHOJAJZRND-FQEVSTJZSA-N 1 1 402.510 3.302 50 0 HGAAMO CCOc1ccccc1C[N@H+]1CCN(Cc2ccc(OC)cc2F)[C@@H](CCO)C1 ZINC000020255592 558352274 /nfs/dbraw/zinc/35/22/74/558352274.db2.gz FQUAEHOJAJZRND-FQEVSTJZSA-N 1 1 402.510 3.302 50 0 HGAAMO CCn1cc(CNCc2ccc(OC[C@H](O)C[N@H+](C)Cc3ccccc3)cc2)cn1 ZINC000012226472 558357073 /nfs/dbraw/zinc/35/70/73/558357073.db2.gz VMBBAXPOLHGQDV-HSZRJFAPSA-N 1 1 408.546 3.065 50 0 HGAAMO CCn1cc(CNCc2ccc(OC[C@H](O)C[N@@H+](C)Cc3ccccc3)cc2)cn1 ZINC000012226472 558357076 /nfs/dbraw/zinc/35/70/76/558357076.db2.gz VMBBAXPOLHGQDV-HSZRJFAPSA-N 1 1 408.546 3.065 50 0 HGAAMO CCOc1cc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)N2CCCCC2)ccc1O ZINC000020391401 558359043 /nfs/dbraw/zinc/35/90/43/558359043.db2.gz NHZZGNAMAAEEJA-CTUHWIOQSA-N 1 1 416.562 3.472 50 0 HGAAMO Cc1nc(NCc2ccccc2F)sc1-c1ccn(CC[NH+]2CCOCC2)n1 ZINC000020450256 558365081 /nfs/dbraw/zinc/36/50/81/558365081.db2.gz GCKNUIQPRUGGMS-UHFFFAOYSA-N 1 1 401.511 3.398 50 0 HGAAMO O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCC[N@@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC000012297369 558367439 /nfs/dbraw/zinc/36/74/39/558367439.db2.gz GWXJFQRUOAOVGP-IBGZPJMESA-N 1 1 418.497 3.494 50 0 HGAAMO CCOC(=O)[C@H]1CCC[N@H+](C2CCN(Cc3nc(-c4cccs4)no3)CC2)C1 ZINC000012386380 558395342 /nfs/dbraw/zinc/39/53/42/558395342.db2.gz ROWITTYJQSSIAP-HNNXBMFYSA-N 1 1 404.536 3.038 50 0 HGAAMO CCn1cc(CNCc2cccc(OC[C@@H](O)C[N@H+](C)C3CCCCC3)c2)cn1 ZINC000012431381 558405944 /nfs/dbraw/zinc/40/59/44/558405944.db2.gz YLDGXUBGDVFKKZ-QFIPXVFZSA-N 1 1 400.567 3.197 50 0 HGAAMO CCn1cc(CNCc2cccc(OC[C@@H](O)C[N@@H+](C)C3CCCCC3)c2)cn1 ZINC000012431381 558405948 /nfs/dbraw/zinc/40/59/48/558405948.db2.gz YLDGXUBGDVFKKZ-QFIPXVFZSA-N 1 1 400.567 3.197 50 0 HGAAMO COC(=O)CCC(=O)N(Cc1cccnc1)C[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000012434442 558408399 /nfs/dbraw/zinc/40/83/99/558408399.db2.gz ZQATVTJYZAYCJN-FQEVSTJZSA-N 1 1 401.551 3.408 50 0 HGAAMO Cc1cc(CN(C)C(=O)c2ccc(OC3CC[NH+](Cc4ccccn4)CC3)cc2)n[nH]1 ZINC000012446792 558414372 /nfs/dbraw/zinc/41/43/72/558414372.db2.gz NPUAHYRXNHOJEI-UHFFFAOYSA-N 1 1 419.529 3.429 50 0 HGAAMO COc1cccc(C[N@@H+]2CCN(Cc3ccccc3OC(F)F)C[C@@H]2CCO)c1 ZINC000020878013 558419644 /nfs/dbraw/zinc/41/96/44/558419644.db2.gz PQKPWRWFQLWFFX-IBGZPJMESA-N 1 1 406.473 3.365 50 0 HGAAMO COc1cccc(C[N@H+]2CCN(Cc3ccccc3OC(F)F)C[C@@H]2CCO)c1 ZINC000020878013 558419647 /nfs/dbraw/zinc/41/96/47/558419647.db2.gz PQKPWRWFQLWFFX-IBGZPJMESA-N 1 1 406.473 3.365 50 0 HGAAMO Cc1ccccc1Cn1cc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)nn1 ZINC000012475704 558422503 /nfs/dbraw/zinc/42/25/03/558422503.db2.gz MMRGZUCZLSSSKS-UHFFFAOYSA-N 1 1 407.493 3.122 50 0 HGAAMO Cc1ccccc1Cn1cc(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)nn1 ZINC000012475704 558422506 /nfs/dbraw/zinc/42/25/06/558422506.db2.gz MMRGZUCZLSSSKS-UHFFFAOYSA-N 1 1 407.493 3.122 50 0 HGAAMO Cc1nnc(CN(C)Cc2cccc(OC[C@@H](O)C[N@@H+](C)C3CCCCC3)c2)o1 ZINC000012570738 558428842 /nfs/dbraw/zinc/42/88/42/558428842.db2.gz JMSBTZJZUREUFU-FQEVSTJZSA-N 1 1 402.539 3.014 50 0 HGAAMO O=C1C[C@H](c2nc3ccccc3n2CC[NH+]2CCOCC2)CN1Cc1ccc(F)cc1 ZINC000021172078 558432848 /nfs/dbraw/zinc/43/28/48/558432848.db2.gz GEQFKVJUXDGXQR-IBGZPJMESA-N 1 1 422.504 3.024 50 0 HGAAMO COCc1ccc(C[N@H+]2CCC[C@H](CNC(=O)c3cccc(OC)c3OC)C2)o1 ZINC000012584293 558433580 /nfs/dbraw/zinc/43/35/80/558433580.db2.gz IYMOTSQRBMSVTJ-MRXNPFEDSA-N 1 1 402.491 3.085 50 0 HGAAMO CCN(C[C@@H]1CCC[N@@H+](CCc2cccc(F)c2)C1)C(=O)CCCn1cncn1 ZINC000012714390 558454293 /nfs/dbraw/zinc/45/42/93/558454293.db2.gz BSYXLSHJMCTQDD-HXUWFJFHSA-N 1 1 401.530 3.001 50 0 HGAAMO COc1cc(CNCc2cc(F)cc(F)c2)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000012744494 558457606 /nfs/dbraw/zinc/45/76/06/558457606.db2.gz QUHJFSNWGAZMSY-FQEVSTJZSA-N 1 1 408.489 3.343 50 0 HGAAMO COc1cc(CNCc2cc(F)cc(F)c2)ccc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000012744494 558457609 /nfs/dbraw/zinc/45/76/09/558457609.db2.gz QUHJFSNWGAZMSY-FQEVSTJZSA-N 1 1 408.489 3.343 50 0 HGAAMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cnc2c(cnn2Cc2ccccc2)c1 ZINC000012789129 558464430 /nfs/dbraw/zinc/46/44/30/558464430.db2.gz XJVOGKMTXGPHAM-HSZRJFAPSA-N 1 1 411.509 3.484 50 0 HGAAMO CC(=O)Nc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)cc1 ZINC000012795332 558468115 /nfs/dbraw/zinc/46/81/15/558468115.db2.gz ITKYIHBPSPLISQ-HNNXBMFYSA-N 1 1 424.501 3.028 50 0 HGAAMO COc1ccc(C[N@H+](C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C(F)(F)F)cc1 ZINC000012804081 558472671 /nfs/dbraw/zinc/47/26/71/558472671.db2.gz MHSAVVWBWXNNJJ-SFHVURJKSA-N 1 1 421.419 3.433 50 0 HGAAMO COc1ccc(C[N@@H+](C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C(F)(F)F)cc1 ZINC000012804081 558472674 /nfs/dbraw/zinc/47/26/74/558472674.db2.gz MHSAVVWBWXNNJJ-SFHVURJKSA-N 1 1 421.419 3.433 50 0 HGAAMO OCC[C@H]1CN(Cc2ccc(Oc3ncccn3)cc2)CC[N@H+]1CCc1ccccc1 ZINC000022932835 558485896 /nfs/dbraw/zinc/48/58/96/558485896.db2.gz JWKRBUIXPMHKTO-QHCPKHFHSA-N 1 1 418.541 3.380 50 0 HGAAMO O=S(=O)(NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000012996921 558498801 /nfs/dbraw/zinc/49/88/01/558498801.db2.gz MBDNQKAJUNWRBM-UHFFFAOYSA-N 1 1 414.449 3.016 50 0 HGAAMO COC(=O)CC[N@@H+]1CCc2cc(OC)c(OC)cc2[C@H]1c1ccc(OC)c(OC)c1 ZINC000022781249 558510058 /nfs/dbraw/zinc/51/00/58/558510058.db2.gz UPMZLAHYCVQHLU-HSZRJFAPSA-N 1 1 415.486 3.232 50 0 HGAAMO COC(=O)CC[N@H+]1CCc2cc(OC)c(OC)cc2[C@H]1c1ccc(OC)c(OC)c1 ZINC000022781249 558510060 /nfs/dbraw/zinc/51/00/60/558510060.db2.gz UPMZLAHYCVQHLU-HSZRJFAPSA-N 1 1 415.486 3.232 50 0 HGAAMO CCCCc1oc2ccccc2c1C[NH+]1CCN(CC(=O)NCCCOC)CC1 ZINC000022793208 558512125 /nfs/dbraw/zinc/51/21/25/558512125.db2.gz FHRISHKLKKFOER-UHFFFAOYSA-N 1 1 401.551 3.046 50 0 HGAAMO Cn1c(CC[NH+]2CCN(C)CC2)nc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 ZINC000022930745 558524224 /nfs/dbraw/zinc/52/42/24/558524224.db2.gz XXRUHPVVABVLIJ-UHFFFAOYSA-N 1 1 411.937 3.269 50 0 HGAAMO O=c1c2c(ncn1Cc1ccccc1Cl)sc1c2CC[C@H]([NH+]2CCOCC2)C1 ZINC000023129344 558536910 /nfs/dbraw/zinc/53/69/10/558536910.db2.gz VUSVDPQNXALZOR-HNNXBMFYSA-N 1 1 415.946 3.349 50 0 HGAAMO COc1cc(C(C)=O)ccc1OCC(=O)NC[C@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000025534956 558642992 /nfs/dbraw/zinc/64/29/92/558642992.db2.gz KIDJPEQIOOBKOY-JOCHJYFZSA-N 1 1 424.541 3.476 50 0 HGAAMO Cc1cc(-c2nc(-c3ccc(F)cc3)no2)c(C)n1CC(=O)N1CCC[N@H+](C)CC1 ZINC000065195018 558654963 /nfs/dbraw/zinc/65/49/63/558654963.db2.gz NRHANFIWPCIOLW-UHFFFAOYSA-N 1 1 411.481 3.125 50 0 HGAAMO O=C(NCc1ccccc1)NC1(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CCCC1 ZINC000026091345 558655151 /nfs/dbraw/zinc/65/51/51/558655151.db2.gz BYQWNMZDFMQOBL-UHFFFAOYSA-N 1 1 420.557 3.143 50 0 HGAAMO CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@H]([N@@H+](C)Cc1ccccc1)C2 ZINC000014748896 558670152 /nfs/dbraw/zinc/67/01/52/558670152.db2.gz NBKDHJYLLCHLCN-FQEVSTJZSA-N 1 1 410.562 3.001 50 0 HGAAMO CCCCc1nc(C[NH+]2CCC3(CC2)C(=O)N(CCc2ccccc2)C(=O)N3C)c[nH]1 ZINC000014750993 558670911 /nfs/dbraw/zinc/67/09/11/558670911.db2.gz MMYDEMVRVUUHPL-UHFFFAOYSA-N 1 1 423.561 3.224 50 0 HGAAMO CC(C)Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)c3ccc4c(c3)no[n+]4[O-])C2)cc1 ZINC000014966592 558685895 /nfs/dbraw/zinc/68/58/95/558685895.db2.gz AMOVUOOYIHATNF-HXUWFJFHSA-N 1 1 408.502 3.054 50 0 HGAAMO CC(C)C(=O)NCCc1nnc2n1CC[N@H+](Cc1ccc(-c3ccccc3)cc1)CC2 ZINC000014992636 558695023 /nfs/dbraw/zinc/69/50/23/558695023.db2.gz SGVNGIVGLROXGB-UHFFFAOYSA-N 1 1 417.557 3.318 50 0 HGAAMO Cc1nnc([C@H](C)NC(=O)C2([N@@H+](C)CCc3ccccc3)Cc3ccccc3C2)[nH]1 ZINC000015073485 558714275 /nfs/dbraw/zinc/71/42/75/558714275.db2.gz QJZAKVKFNGNIQQ-KRWDZBQOSA-N 1 1 403.530 3.002 50 0 HGAAMO Cc1nc([C@H](C)NC(=O)C2([N@H+](C)CCc3ccccc3)Cc3ccccc3C2)n[nH]1 ZINC000015073485 558714276 /nfs/dbraw/zinc/71/42/76/558714276.db2.gz QJZAKVKFNGNIQQ-KRWDZBQOSA-N 1 1 403.530 3.002 50 0 HGAAMO Cc1nc([C@H](C)NC(=O)C2([N@@H+](C)CCc3ccccc3)Cc3ccccc3C2)n[nH]1 ZINC000015073485 558714278 /nfs/dbraw/zinc/71/42/78/558714278.db2.gz QJZAKVKFNGNIQQ-KRWDZBQOSA-N 1 1 403.530 3.002 50 0 HGAAMO Cc1[nH+]ccn1CCN(C)Cc1c(C(=O)N2CCCCCCC2)nc2sccn12 ZINC000015073832 558714433 /nfs/dbraw/zinc/71/44/33/558714433.db2.gz ZCQQJDYTFVVXKD-UHFFFAOYSA-N 1 1 414.579 3.439 50 0 HGAAMO Cc1cccc(C(=O)N2CCC[N@@H+](CCC(=O)Nc3ccnn3C3CCCC3)CC2)c1 ZINC000029851414 558722582 /nfs/dbraw/zinc/72/25/82/558722582.db2.gz OHRXEDVCSBKENO-UHFFFAOYSA-N 1 1 423.561 3.483 50 0 HGAAMO Cc1nc2c(cnn2C(C)C)cc1C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000029882339 558723250 /nfs/dbraw/zinc/72/32/50/558723250.db2.gz VHJSXIJFTQCPMK-UHFFFAOYSA-N 1 1 407.518 3.083 50 0 HGAAMO C[N@@H+]1CCN(C(=O)COc2ccc(F)cc2Br)[C@H](c2ccccc2)C1 ZINC000030029381 558726484 /nfs/dbraw/zinc/72/64/84/558726484.db2.gz PSUNUYPOIOGHQJ-KRWDZBQOSA-N 1 1 407.283 3.482 50 0 HGAAMO C[N@H+]1CCN(C(=O)COc2ccc(F)cc2Br)[C@H](c2ccccc2)C1 ZINC000030029381 558726487 /nfs/dbraw/zinc/72/64/87/558726487.db2.gz PSUNUYPOIOGHQJ-KRWDZBQOSA-N 1 1 407.283 3.482 50 0 HGAAMO COc1ccccc1CNC(=O)C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000030955206 558746955 /nfs/dbraw/zinc/74/69/55/558746955.db2.gz UKBIWNMQRKIEEY-UHFFFAOYSA-N 1 1 406.486 3.274 50 0 HGAAMO CCS[C@@H]1CC[C@@H]([N@@H+](C)CC(=O)NCc2ccccc2CN2CCCC2=O)C1 ZINC000072304993 558757078 /nfs/dbraw/zinc/75/70/78/558757078.db2.gz HHPIENICULYOPB-WOJBJXKFSA-N 1 1 403.592 3.031 50 0 HGAAMO CCN(CC)C(=O)C[N@H+]1CCCN(c2ncnc3sc4c(c32)CC[C@@H](C)C4)CC1 ZINC000034857411 558785267 /nfs/dbraw/zinc/78/52/67/558785267.db2.gz CVRGDJYUQLNTKM-MRXNPFEDSA-N 1 1 415.607 3.197 50 0 HGAAMO CCCC(=O)OC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(OC)c(OC)c1 ZINC000036095780 558797657 /nfs/dbraw/zinc/79/76/57/558797657.db2.gz YWZVMCXBNCBSLJ-FQEVSTJZSA-N 1 1 401.503 3.410 50 0 HGAAMO Cc1sc2nc(C[NH+]3CCC(C)CC3)nc(N3CCNC(=O)C[C@@H]3C)c2c1C ZINC000071889392 558807757 /nfs/dbraw/zinc/80/77/57/558807757.db2.gz LIBDHKMYENUXLG-AWEZNQCLSA-N 1 1 401.580 3.255 50 0 HGAAMO COc1ccc(-n2ccnc2CN2CC[N@H+](Cc3ccc(F)cc3)[C@H](CCO)C2)cc1 ZINC000039413074 558821017 /nfs/dbraw/zinc/82/10/17/558821017.db2.gz IFCQAAFXSUSCON-JOCHJYFZSA-N 1 1 424.520 3.089 50 0 HGAAMO COc1ccc(-n2ccnc2CN2CC[N@@H+](Cc3ccc(F)cc3)[C@H](CCO)C2)cc1 ZINC000039413074 558821019 /nfs/dbraw/zinc/82/10/19/558821019.db2.gz IFCQAAFXSUSCON-JOCHJYFZSA-N 1 1 424.520 3.089 50 0 HGAAMO CCCn1cc(CN2CC[N@@H+](Cc3ccc(OC)c(C)c3C)[C@H](CCO)C2)c(C)n1 ZINC000039485855 558821740 /nfs/dbraw/zinc/82/17/40/558821740.db2.gz GKQYUBUCWIZREF-HSZRJFAPSA-N 1 1 414.594 3.296 50 0 HGAAMO C[NH+]1CCN(CC(=O)Nc2c3c(nc4ccccc42)N(c2ccccc2)CC3)CC1 ZINC000019314303 558866941 /nfs/dbraw/zinc/86/69/41/558866941.db2.gz QDBWNCYERCKEBZ-UHFFFAOYSA-N 1 1 401.514 3.115 50 0 HGAAMO Cc1ccc2c(c1)c1c3n2CCN(C[C@@H](O)C[NH2+]CN2CCCCCC2)[C@@H]3CCC1 ZINC000019332249 558868719 /nfs/dbraw/zinc/86/87/19/558868719.db2.gz KTBVROFFDADDER-GBXCKJPGSA-N 1 1 410.606 3.427 50 0 HGAAMO O=C(c1cc2ccccc2[nH]1)N1CCC([N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000071422152 558897910 /nfs/dbraw/zinc/89/79/10/558897910.db2.gz VFZJYFBIWWTRCH-IBGZPJMESA-N 1 1 408.546 3.107 50 0 HGAAMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)Nc1cccc(-c2nnnn2C2CC2)c1 ZINC000058155765 558902912 /nfs/dbraw/zinc/90/29/12/558902912.db2.gz ZNWFVZWJFBKISV-UHFFFAOYSA-N 1 1 414.473 3.491 50 0 HGAAMO CN(c1ccccc1)c1ccccc1NC(=O)NC[C@@H]([C@H]1CCOC1)[NH+]1CCOCC1 ZINC000058156392 558903091 /nfs/dbraw/zinc/90/30/91/558903091.db2.gz NRDCSMRVBYVPDS-CVDCTZTESA-N 1 1 424.545 3.313 50 0 HGAAMO O=S(=O)(N[C@@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1ccc2c(c1)OCO2)c1ccccc1 ZINC000058166938 558907126 /nfs/dbraw/zinc/90/71/26/558907126.db2.gz AMPRDAWANTZJSG-OFNKIYASSA-N 1 1 422.506 3.149 50 0 HGAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)CCn2nc(-c3ccc(Cl)cc3)ccc2=O)C1 ZINC000004710528 558916598 /nfs/dbraw/zinc/91/65/98/558916598.db2.gz SKSYPQLEPMCLNG-QGZVFWFLSA-N 1 1 416.953 3.192 50 0 HGAAMO COc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000058305413 558918309 /nfs/dbraw/zinc/91/83/09/558918309.db2.gz NEDBFUIGVSDYFU-HNNXBMFYSA-N 1 1 407.474 3.347 50 0 HGAAMO CC[N@H+](Cc1cc(OC)c(OC)c(OC)c1)Cc1cc(=O)n2cc(C)sc2n1 ZINC000033068980 558980604 /nfs/dbraw/zinc/98/06/04/558980604.db2.gz QNHMMJGOZOXVFN-UHFFFAOYSA-N 1 1 403.504 3.112 50 0 HGAAMO CC[N@@H+](Cc1cc(OC)c(OC)c(OC)c1)Cc1cc(=O)n2cc(C)sc2n1 ZINC000033068980 558980605 /nfs/dbraw/zinc/98/06/05/558980605.db2.gz QNHMMJGOZOXVFN-UHFFFAOYSA-N 1 1 403.504 3.112 50 0 HGAAMO C[C@H](NC(=O)c1cc(C[NH+]2CCC(Cc3ccccc3)CC2)on1)c1cnn(C)c1 ZINC000067446616 558986622 /nfs/dbraw/zinc/98/66/22/558986622.db2.gz OKSOKEVPWMWFEQ-KRWDZBQOSA-N 1 1 407.518 3.354 50 0 HGAAMO CCn1c(CN2CC[N@H+](Cc3ccc(OC)c(C)c3)[C@H](CCO)C2)nc2ccccc21 ZINC000076846930 558997837 /nfs/dbraw/zinc/99/78/37/558997837.db2.gz MMPBOUQBHNHFKA-OAQYLSRUSA-N 1 1 422.573 3.442 50 0 HGAAMO CCn1c(CN2CC[N@@H+](Cc3ccc(OC)c(C)c3)[C@H](CCO)C2)nc2ccccc21 ZINC000076846930 558997838 /nfs/dbraw/zinc/99/78/38/558997838.db2.gz MMPBOUQBHNHFKA-OAQYLSRUSA-N 1 1 422.573 3.442 50 0 HGAAMO O=C(NCCc1ccccc1)[C@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000082083326 559036565 /nfs/dbraw/zinc/03/65/65/559036565.db2.gz JZAUWTPJZKTXQH-QHCPKHFHSA-N 1 1 406.574 3.117 50 0 HGAAMO O=C(N[C@@H]1CCCOC1)C1CC[NH+](C2CCN(CCCc3ccccc3)CC2)CC1 ZINC000082097692 559037684 /nfs/dbraw/zinc/03/76/84/559037684.db2.gz AKBFLABANLDKBF-HSZRJFAPSA-N 1 1 413.606 3.091 50 0 HGAAMO O=C(N[C@H]1CCSC1)C1CC[NH+](C2CCN(CCCc3ccccc3)CC2)CC1 ZINC000082114860 559038969 /nfs/dbraw/zinc/03/89/69/559038969.db2.gz LZJKSGJGYUUBOV-QFIPXVFZSA-N 1 1 415.647 3.417 50 0 HGAAMO CC(C)(C)CC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000082120037 559039255 /nfs/dbraw/zinc/03/92/55/559039255.db2.gz IXWUIUHXDLPJKN-NRFANRHFSA-N 1 1 413.606 3.485 50 0 HGAAMO Cc1noc(C)c1CNC(=O)[C@H]1CCC[N@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000082120849 559039319 /nfs/dbraw/zinc/03/93/19/559039319.db2.gz RABBKSBVJBVSCT-QFIPXVFZSA-N 1 1 424.589 3.327 50 0 HGAAMO COCCCN(C)C(=O)[C@H]1CCC[N@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000082121584 559039504 /nfs/dbraw/zinc/03/95/04/559039504.db2.gz GEUXJNJUQMXMED-SFHVURJKSA-N 1 1 414.550 3.004 50 0 HGAAMO CSCCCNC(=O)[C@H]1CCC[N@@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC000091893821 559074371 /nfs/dbraw/zinc/07/43/71/559074371.db2.gz DXXFZDZNXSQUPT-NRFANRHFSA-N 1 1 415.647 3.200 50 0 HGAAMO CSCCCNC(=O)[C@H]1CCC[N@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC000091893821 559074372 /nfs/dbraw/zinc/07/43/72/559074372.db2.gz DXXFZDZNXSQUPT-NRFANRHFSA-N 1 1 415.647 3.200 50 0 HGAAMO CN(C[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1)C(=O)c1cc(CO)ccn1 ZINC000095516826 559084649 /nfs/dbraw/zinc/08/46/49/559084649.db2.gz WGBPUVBMGKVBTF-IBGZPJMESA-N 1 1 401.938 3.254 50 0 HGAAMO C[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)c1c(Cl)c(C(F)(F)F)nn1C ZINC000097717250 559120477 /nfs/dbraw/zinc/12/04/77/559120477.db2.gz BJUWVZPRLWYBFK-NSHDSACASA-N 1 1 400.832 3.269 50 0 HGAAMO CCOc1ccc(N2C(=O)C[C@H]([NH+]3CCC(Nc4ccc(OC)cc4)CC3)C2=O)cc1 ZINC000100188770 559131721 /nfs/dbraw/zinc/13/17/21/559131721.db2.gz GQVKCKLTBQDGMN-QFIPXVFZSA-N 1 1 423.513 3.302 50 0 HGAAMO CC[C@@H]1CCCC[N@H+]1CC(=O)Nc1c2cc(OC)c(OC)cc2[nH]c1C(=O)OC ZINC000004837578 559166646 /nfs/dbraw/zinc/16/66/46/559166646.db2.gz PJHAJYOWYUVRSL-CYBMUJFWSA-N 1 1 403.479 3.175 50 0 HGAAMO Cc1cnc2ccccc2c1NC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000408519075 559213736 /nfs/dbraw/zinc/21/37/36/559213736.db2.gz WWXYVICLEYFOKJ-HXUWFJFHSA-N 1 1 404.514 3.244 50 0 HGAAMO Cc1oc(-c2ccccc2F)nc1C[S@](=O)CC(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000005057896 559238100 /nfs/dbraw/zinc/23/81/00/559238100.db2.gz RYUKQJDWWRKBMI-PEGYKEAPSA-N 1 1 421.538 3.028 50 0 HGAAMO Cc1oc(-c2ccccc2F)nc1C[S@](=O)CC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000005057896 559238102 /nfs/dbraw/zinc/23/81/02/559238102.db2.gz RYUKQJDWWRKBMI-PEGYKEAPSA-N 1 1 421.538 3.028 50 0 HGAAMO Cc1oc(-c2ccccc2F)nc1C[S@@](=O)CC(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000005057895 559238160 /nfs/dbraw/zinc/23/81/60/559238160.db2.gz RYUKQJDWWRKBMI-WNNBVUDTSA-N 1 1 421.538 3.028 50 0 HGAAMO Cc1oc(-c2ccccc2F)nc1C[S@@](=O)CC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000005057895 559238162 /nfs/dbraw/zinc/23/81/62/559238162.db2.gz RYUKQJDWWRKBMI-WNNBVUDTSA-N 1 1 421.538 3.028 50 0 HGAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)c1[nH]nc2c1COc1ccccc1-2 ZINC000409414043 559249794 /nfs/dbraw/zinc/24/97/94/559249794.db2.gz MXKDTEPHUHMETM-PXNSSMCTSA-N 1 1 424.545 3.322 50 0 HGAAMO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)c1n[nH]c2c1COc1ccccc1-2 ZINC000409414043 559249795 /nfs/dbraw/zinc/24/97/95/559249795.db2.gz MXKDTEPHUHMETM-PXNSSMCTSA-N 1 1 424.545 3.322 50 0 HGAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)c1n[nH]c2c1COc1ccccc1-2 ZINC000409414043 559249797 /nfs/dbraw/zinc/24/97/97/559249797.db2.gz MXKDTEPHUHMETM-PXNSSMCTSA-N 1 1 424.545 3.322 50 0 HGAAMO O[C@@H](Cn1c2ccccc2c2ccccc21)C[N@H+]1CCCN(c2ncccn2)CC1 ZINC000061721956 560538016 /nfs/dbraw/zinc/53/80/16/560538016.db2.gz JNAKPEFQAFTWNI-LJQANCHMSA-N 1 1 401.514 3.158 50 0 HGAAMO O=C(NCc1nc2ccccc2[nH]1)[C@H]1CCC[N@H+](Cc2nc(-c3cccs3)no2)C1 ZINC000062022935 560567524 /nfs/dbraw/zinc/56/75/24/560567524.db2.gz QLJBOZAOXJEDQN-AWEZNQCLSA-N 1 1 422.514 3.203 50 0 HGAAMO O=C(NCc1nc2ccccc2[nH]1)[C@H]1CCC[N@@H+](Cc2nc(-c3cccs3)no2)C1 ZINC000062022935 560567525 /nfs/dbraw/zinc/56/75/25/560567525.db2.gz QLJBOZAOXJEDQN-AWEZNQCLSA-N 1 1 422.514 3.203 50 0 HGAAMO COc1cc([C@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)NCc2ccccc2)ccc1O ZINC000016043059 560655047 /nfs/dbraw/zinc/65/50/47/560655047.db2.gz VRIZZBHMPMVZAN-DCEDVJGZSA-N 1 1 424.541 3.385 50 0 biogenic HGAAMO COc1cc([C@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)NCc2ccccc2)ccc1O ZINC000016043059 560655049 /nfs/dbraw/zinc/65/50/49/560655049.db2.gz VRIZZBHMPMVZAN-DCEDVJGZSA-N 1 1 424.541 3.385 50 0 biogenic HGAAMO COC[C@H](O)C[N@H+](Cc1cccc(OC)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104983915 560858901 /nfs/dbraw/zinc/85/89/01/560858901.db2.gz UUDXGXBJKSEZEV-TZIWHRDSSA-N 1 1 418.921 3.351 50 0 HGAAMO CCN1CC[NH+](Cc2ccc(NC(=O)CSCc3csc(C)n3)cc2)CC1 ZINC000046939340 560879591 /nfs/dbraw/zinc/87/95/91/560879591.db2.gz NBRSOKYWOSQSOI-UHFFFAOYSA-N 1 1 404.605 3.461 50 0 HGAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)c2ccc(Cl)cc2N2CCCC2=O)ccn1 ZINC000047012550 560879741 /nfs/dbraw/zinc/87/97/41/560879741.db2.gz PZPQZILWEAVRDJ-UHFFFAOYSA-N 1 1 409.877 3.286 50 0 HGAAMO C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000108929078 568420196 /nfs/dbraw/zinc/42/01/96/568420196.db2.gz WOVUWEXTIHITJF-FGTMMUONSA-N 1 1 407.580 3.166 50 0 HGAAMO CCOC(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@H]2Cc2c(F)cccc2Cl)CC1 ZINC000048289701 568435031 /nfs/dbraw/zinc/43/50/31/568435031.db2.gz JKONTYOLLWFNOD-INIZCTEOSA-N 1 1 410.917 3.288 50 0 HGAAMO CCOC(=O)C1CCN(C(=O)C[N@H+]2CCC[C@H]2Cc2c(F)cccc2Cl)CC1 ZINC000048289701 568435032 /nfs/dbraw/zinc/43/50/32/568435032.db2.gz JKONTYOLLWFNOD-INIZCTEOSA-N 1 1 410.917 3.288 50 0 HGAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)Cn3ncc4ccccc4c3=O)cc2)C1 ZINC000048310952 568436780 /nfs/dbraw/zinc/43/67/80/568436780.db2.gz OTZSDLLVQPVJTA-KDURUIRLSA-N 1 1 418.541 3.191 50 0 HGAAMO CC(C)CCNC(=O)C1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CC1 ZINC000048302794 568437812 /nfs/dbraw/zinc/43/78/12/568437812.db2.gz OKUBLIRUCSFRJG-NRFANRHFSA-N 1 1 417.569 3.439 50 0 HGAAMO COC(=O)C[C@H](c1ccc(O)c(Cl)c1)c1oc(C[NH+]2CCCCC2)cc(=O)c1O ZINC000218267692 568477118 /nfs/dbraw/zinc/47/71/18/568477118.db2.gz WDTJSXQKSJZPOT-OAHLLOKOSA-N 1 1 421.877 3.385 50 0 HGAAMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(Br)cc1F ZINC000024193337 568510996 /nfs/dbraw/zinc/51/09/96/568510996.db2.gz SWCJIWBTOVQCPD-UHFFFAOYSA-N 1 1 407.283 3.350 50 0 HGAAMO CC[C@H](C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)n1c2ccccc2c2cn[nH]c(=O)c21 ZINC000020416482 568606100 /nfs/dbraw/zinc/60/61/00/568606100.db2.gz RYUKCKMMZBZOQH-FUHIMQAGSA-N 1 1 423.561 3.313 50 0 HGAAMO Cc1cc(C)nc(Nc2ccc(C(=O)N3CC[NH+](CCc4ccncc4)CC3)cc2)n1 ZINC000095475913 568630219 /nfs/dbraw/zinc/63/02/19/568630219.db2.gz WAVZZACODQHWRV-UHFFFAOYSA-N 1 1 416.529 3.233 50 0 HGAAMO COc1ccc(C[N@@H+]2CCCN(C(=O)c3nc(Br)ccc3F)CC2)cc1 ZINC000225401095 568634281 /nfs/dbraw/zinc/63/42/81/568634281.db2.gz MQBSRYNAVXUZJA-UHFFFAOYSA-N 1 1 422.298 3.340 50 0 HGAAMO COc1ccc(C[N@H+]2CCCN(C(=O)c3nc(Br)ccc3F)CC2)cc1 ZINC000225401095 568634283 /nfs/dbraw/zinc/63/42/83/568634283.db2.gz MQBSRYNAVXUZJA-UHFFFAOYSA-N 1 1 422.298 3.340 50 0 HGAAMO COc1cc2c(cc1OC)C(=O)[C@H]([C@@H]1c3c(cc4c(c3OC)OCO4)CC[N@H+]1C)C2 ZINC000020759384 568641939 /nfs/dbraw/zinc/64/19/39/568641939.db2.gz RJQXXRSHMDJYGT-MGPUTAFESA-N 1 1 411.454 3.025 50 0 biogenic HGAAMO COc1cc2c(cc1OC)C(=O)[C@H]([C@@H]1c3c(cc4c(c3OC)OCO4)CC[N@@H+]1C)C2 ZINC000020759384 568641941 /nfs/dbraw/zinc/64/19/41/568641941.db2.gz RJQXXRSHMDJYGT-MGPUTAFESA-N 1 1 411.454 3.025 50 0 biogenic HGAAMO CCCCn1c(SCCC[NH+]2CCN(C)CC2)nnc1-c1ccc(OC)cc1 ZINC000225566812 568651861 /nfs/dbraw/zinc/65/18/61/568651861.db2.gz QSVPKMYREBMNIG-UHFFFAOYSA-N 1 1 403.596 3.483 50 0 HGAAMO CCc1cc2oc(=O)cc(C[N@H+]3CCC[C@H](C(=O)N4CCOCC4)C3)c2cc1Cl ZINC000095947238 568664793 /nfs/dbraw/zinc/66/47/93/568664793.db2.gz LLGSYLLCXDLXIH-INIZCTEOSA-N 1 1 418.921 3.080 50 0 HGAAMO Cc1cc(Cl)ccc1NC(=O)N1CCC[N@@H+]([C@@H]2CCN(CC3CC3)C2=O)CC1 ZINC000096310660 568675054 /nfs/dbraw/zinc/67/50/54/568675054.db2.gz YONMPMJUXFVPTE-LJQANCHMSA-N 1 1 404.942 3.199 50 0 HGAAMO Cc1cc(Cl)ccc1NC(=O)N1CCC[N@H+]([C@@H]2CCN(CC3CC3)C2=O)CC1 ZINC000096310660 568675055 /nfs/dbraw/zinc/67/50/55/568675055.db2.gz YONMPMJUXFVPTE-LJQANCHMSA-N 1 1 404.942 3.199 50 0 HGAAMO CCNC(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)C1 ZINC000096000043 568680826 /nfs/dbraw/zinc/68/08/26/568680826.db2.gz JULYCIWSKTZXHV-ZDUSSCGKSA-N 1 1 401.902 3.232 50 0 HGAAMO CCNC(=O)Nc1c[nH]nc1[C@H]1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)C1 ZINC000096000043 568680829 /nfs/dbraw/zinc/68/08/29/568680829.db2.gz JULYCIWSKTZXHV-ZDUSSCGKSA-N 1 1 401.902 3.232 50 0 HGAAMO Cc1ccccc1Oc1ccc(S(=O)(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000096099731 568690691 /nfs/dbraw/zinc/69/06/91/568690691.db2.gz VZHLSWBFNZQAMU-LJQANCHMSA-N 1 1 416.543 3.007 50 0 HGAAMO C[N@@H+](CCNC(=O)c1cccn1-c1nnc(N2CCCCC2)s1)C1CCCCC1 ZINC000021535497 568711965 /nfs/dbraw/zinc/71/19/65/568711965.db2.gz SXLCLDAODKJOAB-UHFFFAOYSA-N 1 1 416.595 3.313 50 0 HGAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)CN2c3ccccc3Sc3ncccc3C2=O)C1 ZINC000021540212 568713509 /nfs/dbraw/zinc/71/35/09/568713509.db2.gz DPFBTXPPSRNGEC-QGZVFWFLSA-N 1 1 424.570 3.431 50 0 HGAAMO CC[C@@H]1C[N@@H+](CC(C)(C)O)[C@@H](CC)CN1c1nc(-c2cccnc2)nc2c1CCC2 ZINC000241969487 568732067 /nfs/dbraw/zinc/73/20/67/568732067.db2.gz UWQIHHBJNYMFNJ-RBUKOAKNSA-N 1 1 409.578 3.477 50 0 HGAAMO CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)CN1CC[NH+](C)CC1 ZINC000022580409 568770640 /nfs/dbraw/zinc/77/06/40/568770640.db2.gz WUGOTMIGZUPVRY-UHFFFAOYSA-N 1 1 415.559 3.395 50 0 HGAAMO CC(C)[C@H](NC(=O)c1ccco1)C(=O)NC[C@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000025536103 568774587 /nfs/dbraw/zinc/77/45/87/568774587.db2.gz DFSVNQGRLZNUQZ-IRLDBZIGSA-N 1 1 411.546 3.233 50 0 HGAAMO COC(=O)[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)c2ccccc2O1 ZINC000057504099 568846502 /nfs/dbraw/zinc/84/65/02/568846502.db2.gz XTSULRZSKCZPMO-SFHVURJKSA-N 1 1 422.403 3.104 50 0 HGAAMO COC(=O)[C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)c2ccccc2O1 ZINC000057504099 568846504 /nfs/dbraw/zinc/84/65/04/568846504.db2.gz XTSULRZSKCZPMO-SFHVURJKSA-N 1 1 422.403 3.104 50 0 HGAAMO COc1ccc(-c2cc(C(=O)NC[C@H]3CCC[N@H+]4CCCC[C@@H]34)n(C)n2)c(OC)c1 ZINC000230203449 568854912 /nfs/dbraw/zinc/85/49/12/568854912.db2.gz MQBBIEKHQOAWIV-UZLBHIALSA-N 1 1 412.534 3.099 50 0 biogenic HGAAMO C[C@H]([NH2+]CC(=O)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1)c1ccccc1Cl ZINC000057650873 568857491 /nfs/dbraw/zinc/85/74/91/568857491.db2.gz PJCSYQZAURAILA-RDJZCZTQSA-N 1 1 406.935 3.211 50 0 HGAAMO CCOC(=O)C1=C(C[N@@H+](C)[C@@H]2CCCc3ccccc32)NC(=O)N[C@@H]1c1ccco1 ZINC000057704364 568858608 /nfs/dbraw/zinc/85/86/08/568858608.db2.gz JVIBEVQYMAWWOF-WIYYLYMNSA-N 1 1 409.486 3.460 50 0 HGAAMO C[C@H](CNC(=O)COc1ccc(Br)cc1)[N@H+]1CCc2ccccc2C1 ZINC000025633982 568869306 /nfs/dbraw/zinc/86/93/06/568869306.db2.gz IKVVALSSGXZNDX-OAHLLOKOSA-N 1 1 403.320 3.391 50 0 HGAAMO C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1ccco1 ZINC000003378650 568891764 /nfs/dbraw/zinc/89/17/64/568891764.db2.gz JMMDTGNTPCFMCW-SJLPKXTDSA-N 1 1 403.910 3.204 50 0 HGAAMO COc1ccc([C@H]2CCC[N@@H+]2[C@@H](C(=O)N2CCOCC2)c2ccccc2)c(OC)c1 ZINC000012692160 568915507 /nfs/dbraw/zinc/91/55/07/568915507.db2.gz IDKWMHUXCDHLCE-FYYLOGMGSA-N 1 1 410.514 3.441 50 0 HGAAMO COc1ccc([C@H]2CCC[N@H+]2[C@@H](C(=O)N2CCOCC2)c2ccccc2)c(OC)c1 ZINC000012692160 568915510 /nfs/dbraw/zinc/91/55/10/568915510.db2.gz IDKWMHUXCDHLCE-FYYLOGMGSA-N 1 1 410.514 3.441 50 0 HGAAMO CC(C)[C@H](CNC(=O)c1ccc(NC(=O)c2cccs2)cc1)[NH+]1CCOCC1 ZINC000012740311 568928659 /nfs/dbraw/zinc/92/86/59/568928659.db2.gz SYARRQYYAXJCLM-SFHVURJKSA-N 1 1 401.532 3.087 50 0 HGAAMO O=C(Nc1ccccc1OC(F)F)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000084535857 568950446 /nfs/dbraw/zinc/95/04/46/568950446.db2.gz RFSJONJVHKYTDY-DLBZAZTESA-N 1 1 405.445 3.293 50 0 HGAAMO C[C@@H]1CSc2ccc(S(=O)(=O)N3CC[NH+](C4CCCCC4)CC3)cc2NC1=O ZINC000015730699 568981364 /nfs/dbraw/zinc/98/13/64/568981364.db2.gz COCLBGLPGHPVPI-OAHLLOKOSA-N 1 1 423.604 3.006 50 0 HGAAMO C[C@H]1C[N@H+](CCC(=O)NC[C@H](c2cccnc2)N2CCCCC2)Cc2ccccc2O1 ZINC000011842026 568987186 /nfs/dbraw/zinc/98/71/86/568987186.db2.gz FGSJMNRARDTAIL-NZQKXSOJSA-N 1 1 422.573 3.398 50 0 HGAAMO C[C@H]1C[N@@H+](CCC(=O)NC[C@H](c2cccnc2)N2CCCCC2)Cc2ccccc2O1 ZINC000011842026 568987188 /nfs/dbraw/zinc/98/71/88/568987188.db2.gz FGSJMNRARDTAIL-NZQKXSOJSA-N 1 1 422.573 3.398 50 0 HGAAMO O=C(C1CCN(c2nc3cccnc3s2)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000015770075 568997453 /nfs/dbraw/zinc/99/74/53/568997453.db2.gz UDWHUXBRDYSLGN-UHFFFAOYSA-N 1 1 421.570 3.252 50 0 HGAAMO COc1cc(CN2CC[N@@H+](Cc3ccccc3C)[C@H](CCO)C2)c(Cl)cc1O ZINC000104319716 569008227 /nfs/dbraw/zinc/00/82/27/569008227.db2.gz WLYWMDTZOYBQRW-LJQANCHMSA-N 1 1 404.938 3.431 50 0 HGAAMO COc1cccc(C[N@@H+]2CCN(Cc3ccc4cccc(F)c4n3)C[C@H]2CCO)c1 ZINC000104436891 569008692 /nfs/dbraw/zinc/00/86/92/569008692.db2.gz JNXXLLSIXMRKPZ-OAQYLSRUSA-N 1 1 409.505 3.451 50 0 HGAAMO COc1cccc(C[N@H+]2CCN(Cc3ccc4cccc(F)c4n3)C[C@H]2CCO)c1 ZINC000104436891 569008693 /nfs/dbraw/zinc/00/86/93/569008693.db2.gz JNXXLLSIXMRKPZ-OAQYLSRUSA-N 1 1 409.505 3.451 50 0 HGAAMO CCCCCNC(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(O)c(OC)c1 ZINC000006264164 569036179 /nfs/dbraw/zinc/03/61/79/569036179.db2.gz COYIMEITIZUVMK-YFXJRYMSSA-N 1 1 404.551 3.375 50 0 biogenic HGAAMO CCCCCNC(=O)C[N@H+]1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(O)c(OC)c1 ZINC000006264164 569036180 /nfs/dbraw/zinc/03/61/80/569036180.db2.gz COYIMEITIZUVMK-YFXJRYMSSA-N 1 1 404.551 3.375 50 0 biogenic HGAAMO O=C1NC2(CC[NH+](Cc3ccccc3F)CC2)N=C1c1ccc(Br)cc1 ZINC000035430911 569036884 /nfs/dbraw/zinc/03/68/84/569036884.db2.gz QPDPURYPZJUORB-UHFFFAOYSA-N 1 1 416.294 3.499 50 0 HGAAMO Cc1ccc(NC(=O)Cn2c(C)nc3c(c2=O)CC[N@H+](Cc2ccccc2)C3)cc1C ZINC000035456042 569037835 /nfs/dbraw/zinc/03/78/35/569037835.db2.gz VAGNRBNXUVZUIK-UHFFFAOYSA-N 1 1 416.525 3.366 50 0 HGAAMO Cc1ccc(NC(=O)Cn2c(C)nc3c(c2=O)CC[N@@H+](Cc2ccccc2)C3)cc1C ZINC000035456042 569037836 /nfs/dbraw/zinc/03/78/36/569037836.db2.gz VAGNRBNXUVZUIK-UHFFFAOYSA-N 1 1 416.525 3.366 50 0 HGAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)CC1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000035454050 569037905 /nfs/dbraw/zinc/03/79/05/569037905.db2.gz JHXQAULVEPFVOL-SFHVURJKSA-N 1 1 410.562 3.401 50 0 HGAAMO Cc1ccc(F)cc1NC(=O)Cn1c(C)nc2c(c1=O)CC[N@H+](Cc1ccccc1)C2 ZINC000035456092 569037959 /nfs/dbraw/zinc/03/79/59/569037959.db2.gz XKJLANPQLGNVCH-UHFFFAOYSA-N 1 1 420.488 3.196 50 0 HGAAMO Cc1ccc(F)cc1NC(=O)Cn1c(C)nc2c(c1=O)CC[N@@H+](Cc1ccccc1)C2 ZINC000035456092 569037960 /nfs/dbraw/zinc/03/79/60/569037960.db2.gz XKJLANPQLGNVCH-UHFFFAOYSA-N 1 1 420.488 3.196 50 0 HGAAMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc2c(c1)CCO2)c1csc2ccccc21 ZINC000575618636 569038068 /nfs/dbraw/zinc/03/80/68/569038068.db2.gz AJSMVFBKVHEWBC-SFHVURJKSA-N 1 1 402.541 3.417 50 0 HGAAMO O=C(NCCC[NH+]1CCOCC1)c1cc2occc2n1Cc1ccccc1Cl ZINC000035475375 569038296 /nfs/dbraw/zinc/03/82/96/569038296.db2.gz JJTVOJVOENGEMR-UHFFFAOYSA-N 1 1 401.894 3.388 50 0 HGAAMO Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H](C)NC(=O)/C=C/c3ccccc3)CC2)cc1 ZINC000040086996 569048072 /nfs/dbraw/zinc/04/80/72/569048072.db2.gz KHAYMRJBLBCRSE-QZMUEMGWSA-N 1 1 405.542 3.247 50 0 HGAAMO COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)NCCC[N@H+]1CCC[C@H](C)C1 ZINC000007005178 569051770 /nfs/dbraw/zinc/05/17/70/569051770.db2.gz WJPLHJXPELWNIX-HNNXBMFYSA-N 1 1 407.536 3.059 50 0 HGAAMO COc1ccc2c(c1)N1CC[N@H+](Cc3ccc(F)cc3)C[C@@H]1[C@@H](C(=O)NC(C)C)C2 ZINC000035911149 569065951 /nfs/dbraw/zinc/06/59/51/569065951.db2.gz MGAJNFHGUSLJQZ-JTHBVZDNSA-N 1 1 411.521 3.222 50 0 HGAAMO CCc1ccc(CN2CCc3c(C(=O)NC[C@@H]4CCCC[N@H+]4C)csc3C2)nc1 ZINC000426440211 569073011 /nfs/dbraw/zinc/07/30/11/569073011.db2.gz COSWIGQYBGTZST-IBGZPJMESA-N 1 1 412.603 3.478 50 0 HGAAMO Cc1ccc(C[N@@H+](CCN2CCOCC2)C[C@H](O)COCc2ccccc2)c(C)c1 ZINC000036098852 569090824 /nfs/dbraw/zinc/09/08/24/569090824.db2.gz FFQCSGFPJKCLQQ-VWLOTQADSA-N 1 1 412.574 3.015 50 0 HGAAMO CC[C@@H](C(=O)NCCC[N@H+]1CCC[C@H](C)C1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064787528 569094210 /nfs/dbraw/zinc/09/42/10/569094210.db2.gz HTVQNNQLGZYRGY-PXNSSMCTSA-N 1 1 423.561 3.078 50 0 HGAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)Cn1c(=O)c2cccn2c2ccc(F)cc21 ZINC000006782451 569120452 /nfs/dbraw/zinc/12/04/52/569120452.db2.gz KARZYOSASJAKIN-SFHVURJKSA-N 1 1 412.509 3.164 50 0 HGAAMO CSc1ccc(C[N@H+](C)CC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)cc1 ZINC000006784896 569121280 /nfs/dbraw/zinc/12/12/80/569121280.db2.gz IHVGTHQPXUGKEI-UHFFFAOYSA-N 1 1 421.588 3.038 50 0 HGAAMO CSc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)cc1 ZINC000006784896 569121281 /nfs/dbraw/zinc/12/12/81/569121281.db2.gz IHVGTHQPXUGKEI-UHFFFAOYSA-N 1 1 421.588 3.038 50 0 HGAAMO Cc1nn([C@@H](C)C(=O)NCC[N@H+]2CCCC[C@@H]2C)c(=O)c2c3ccccc3sc21 ZINC000006799190 569126235 /nfs/dbraw/zinc/12/62/35/569126235.db2.gz PAAARZPLPHHPHR-HOCLYGCPSA-N 1 1 412.559 3.471 50 0 HGAAMO Cc1nn(-c2ccc(F)cc2)c(C)c1S(=O)(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000064946982 569129182 /nfs/dbraw/zinc/12/91/82/569129182.db2.gz HWUIHUBAGFPLQC-UHFFFAOYSA-N 1 1 420.554 3.267 50 0 HGAAMO COc1ccc([C@@H]2CC(c3cc(C)ccc3C)=NN2C(=O)CN2CC[NH+](C)CC2)cc1 ZINC000036345149 569143071 /nfs/dbraw/zinc/14/30/71/569143071.db2.gz YPBJYJRTVMPGNN-DEOSSOPVSA-N 1 1 420.557 3.237 50 0 HGAAMO O=C([C@H](c1ccccc1)[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)N1CCOCC1 ZINC000036447628 569184071 /nfs/dbraw/zinc/18/40/71/569184071.db2.gz FNNGHTLITBJVNC-REWPJTCUSA-N 1 1 408.498 3.195 50 0 HGAAMO O=C([C@H](c1ccccc1)[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)N1CCOCC1 ZINC000036447628 569184072 /nfs/dbraw/zinc/18/40/72/569184072.db2.gz FNNGHTLITBJVNC-REWPJTCUSA-N 1 1 408.498 3.195 50 0 HGAAMO CCOC(=O)[C@H]1CCCCN1C(=O)C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000006978591 569192540 /nfs/dbraw/zinc/19/25/40/569192540.db2.gz JLKLQDBLNBTYND-GOSISDBHSA-N 1 1 415.559 3.420 50 0 HGAAMO CC1CC[NH+](Cc2csc(N3CCN(C(=O)Cc4ccccc4F)CC3)n2)CC1 ZINC000065200258 569193638 /nfs/dbraw/zinc/19/36/38/569193638.db2.gz TUQIVYUQHLAIJB-UHFFFAOYSA-N 1 1 416.566 3.405 50 0 HGAAMO C[N@@H+](CCCNC(=O)c1cccn1-c1nnc(N2CCCC2)s1)C1CCCCC1 ZINC000007006080 569199257 /nfs/dbraw/zinc/19/92/57/569199257.db2.gz SUTWVYQPLODECI-UHFFFAOYSA-N 1 1 416.595 3.313 50 0 HGAAMO Cc1ccc(-c2nnc(N3CCC(C(=O)NCC[N@@H+]4CCCC[C@@H]4C)CC3)o2)cc1 ZINC000065229623 569200504 /nfs/dbraw/zinc/20/05/04/569200504.db2.gz RVTDJHZMJBGEOD-SFHVURJKSA-N 1 1 411.550 3.252 50 0 HGAAMO O=C(NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000065529604 569233887 /nfs/dbraw/zinc/23/38/87/569233887.db2.gz GVHGNIFAAQTNGQ-RBUKOAKNSA-N 1 1 414.500 3.365 50 0 HGAAMO O=C(C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)NCCc1c[nH]c2ccccc12 ZINC000007362576 569235462 /nfs/dbraw/zinc/23/54/62/569235462.db2.gz QKBDTZNIYNNSGD-OAQYLSRUSA-N 1 1 405.498 3.435 50 0 HGAAMO O=C(C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)NCCc1c[nH]c2ccccc12 ZINC000007362576 569235463 /nfs/dbraw/zinc/23/54/63/569235463.db2.gz QKBDTZNIYNNSGD-OAQYLSRUSA-N 1 1 405.498 3.435 50 0 HGAAMO CCc1ccc([C@@H](CNS(=O)(=O)c2cnccc2C(F)(F)F)[NH+](C)C)cc1 ZINC000170603994 569244148 /nfs/dbraw/zinc/24/41/48/569244148.db2.gz QFQKUZZOWGTKCF-MRXNPFEDSA-N 1 1 401.454 3.244 50 0 HGAAMO O=C(CCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCCc2ccccc21 ZINC000071824128 569254551 /nfs/dbraw/zinc/25/45/51/569254551.db2.gz CHPPJFSZHQUBJE-JOCHJYFZSA-N 1 1 405.542 3.384 50 0 HGAAMO C[C@@H](NC(=O)C[N@H+]1CCC[C@H]1CN1C[C@@H](C)O[C@@H](C)C1)c1ccc2c(c1)CCCC2 ZINC000251618579 569260280 /nfs/dbraw/zinc/26/02/80/569260280.db2.gz HKPHTTBPOFZVSX-ZSTWQFLISA-N 1 1 413.606 3.316 50 0 HGAAMO C[C@@H](NC(=O)CN1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc2c(c1)CCCC2 ZINC000251618579 569260282 /nfs/dbraw/zinc/26/02/82/569260282.db2.gz HKPHTTBPOFZVSX-ZSTWQFLISA-N 1 1 413.606 3.316 50 0 HGAAMO C[C@@H](NC(=O)CN1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc2c(c1)CCCC2 ZINC000251618579 569260283 /nfs/dbraw/zinc/26/02/83/569260283.db2.gz HKPHTTBPOFZVSX-ZSTWQFLISA-N 1 1 413.606 3.316 50 0 HGAAMO C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1CC(=O)NCC1(c2ccccc2)CCC1 ZINC000089920318 569268795 /nfs/dbraw/zinc/26/87/95/569268795.db2.gz DRKLJUVPZCDKQZ-RBUKOAKNSA-N 1 1 415.578 3.460 50 0 HGAAMO COc1ccc(CN(CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)C2CC2)cc1 ZINC000007662328 569299697 /nfs/dbraw/zinc/29/96/97/569299697.db2.gz DOQFLOOSJKKQFY-UHFFFAOYSA-N 1 1 407.558 3.312 50 0 HGAAMO COc1ccc(C[N@H+](CC(=O)N2CCN(Cc3ccccc3C)CC2)C2CC2)cc1 ZINC000007662328 569299698 /nfs/dbraw/zinc/29/96/98/569299698.db2.gz DOQFLOOSJKKQFY-UHFFFAOYSA-N 1 1 407.558 3.312 50 0 HGAAMO COc1ccc(C[N@@H+](CC(=O)N2CCN(Cc3ccccc3C)CC2)C2CC2)cc1 ZINC000007662328 569299699 /nfs/dbraw/zinc/29/96/99/569299699.db2.gz DOQFLOOSJKKQFY-UHFFFAOYSA-N 1 1 407.558 3.312 50 0 HGAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000007777216 569308600 /nfs/dbraw/zinc/30/86/00/569308600.db2.gz URPVHEJYQWAWGM-HXUWFJFHSA-N 1 1 415.559 3.034 50 0 HGAAMO Cc1oc(-c2ccccc2F)nc1C[S@](=O)CC(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000195348657 569310528 /nfs/dbraw/zinc/31/05/28/569310528.db2.gz RYUKQJDWWRKBMI-HOLBHBGLSA-N 1 1 421.538 3.028 50 0 HGAAMO Cc1oc(-c2ccccc2F)nc1C[S@](=O)CC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000195348657 569310530 /nfs/dbraw/zinc/31/05/30/569310530.db2.gz RYUKQJDWWRKBMI-HOLBHBGLSA-N 1 1 421.538 3.028 50 0 HGAAMO O=C(C[N@H+](Cc1cccc(OCC(F)(F)F)c1)C[C@H]1CCCO1)N1CCCC1 ZINC000078947845 569421884 /nfs/dbraw/zinc/42/18/84/569421884.db2.gz USHULLUKQOCIKX-GOSISDBHSA-N 1 1 400.441 3.231 50 0 HGAAMO O=C(C[N@@H+](Cc1cccc(OCC(F)(F)F)c1)C[C@H]1CCCO1)N1CCCC1 ZINC000078947845 569421886 /nfs/dbraw/zinc/42/18/86/569421886.db2.gz USHULLUKQOCIKX-GOSISDBHSA-N 1 1 400.441 3.231 50 0 HGAAMO O=C(CN1CC[NH+](CCSc2ccnc3cc(Cl)ccc32)CC1)N1CCCC1 ZINC000079025916 569424903 /nfs/dbraw/zinc/42/49/03/569424903.db2.gz VUPMCIZVMSPFMF-UHFFFAOYSA-N 1 1 418.994 3.220 50 0 HGAAMO CCOC(=O)c1ccc2[nH]c(C)c(C[NH+]3CCN(c4ccccc4)CC3)c(=O)c2c1 ZINC000019793725 569430093 /nfs/dbraw/zinc/43/00/93/569430093.db2.gz ZHMLGPOEMLSGSS-UHFFFAOYSA-N 1 1 405.498 3.335 50 0 HGAAMO Cc1ccc(C)c2c(=O)c(C[NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)c(C)[nH]c12 ZINC000019793601 569430131 /nfs/dbraw/zinc/43/01/31/569430131.db2.gz CJCZHBKCXXEIHP-UHFFFAOYSA-N 1 1 419.525 3.500 50 0 HGAAMO CCOC(=O)C1=C(C[NH+]2CCCCC2)NC(=O)N[C@H]1c1cccc(Br)c1 ZINC000067286154 571064420 /nfs/dbraw/zinc/06/44/20/571064420.db2.gz AQJIMNLYALWSOI-KRWDZBQOSA-N 1 1 422.323 3.106 50 0 HGAAMO CCOC(=O)C1=C(C[NH+]2CCCCCC2)NC(=O)N[C@@H]1c1ccc(OCC)cc1 ZINC000067287673 571065660 /nfs/dbraw/zinc/06/56/60/571065660.db2.gz BTDQWHMJDZIARB-HXUWFJFHSA-N 1 1 401.507 3.132 50 0 HGAAMO CCOC(=O)C1=C(C[NH+]2CCCCCC2)NC(=O)N[C@H]1c1ccc(OCC)cc1 ZINC000067287676 571065677 /nfs/dbraw/zinc/06/56/77/571065677.db2.gz BTDQWHMJDZIARB-FQEVSTJZSA-N 1 1 401.507 3.132 50 0 HGAAMO Cc1ccccc1[C@@H]1CC[N@@H+](CCNC(=O)CCCn2cnc3ccccc3c2=O)C1 ZINC000670473488 571101994 /nfs/dbraw/zinc/10/19/94/571101994.db2.gz BHDRXTPLOKKFIC-HXUWFJFHSA-N 1 1 418.541 3.091 50 0 HGAAMO FC(F)Sc1ccc(NC(=S)NC[C@H]([C@@H]2CCOC2)[NH+]2CCOCC2)cc1 ZINC000040050378 571144029 /nfs/dbraw/zinc/14/40/29/571144029.db2.gz GYHBUUZKNHNCTJ-CZUORRHYSA-N 1 1 417.547 3.025 50 0 HGAAMO NC(=O)c1cccc(C(=O)NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)c1 ZINC000040112633 571170740 /nfs/dbraw/zinc/17/07/40/571170740.db2.gz WFPYTFSSJSEZOS-FQEVSTJZSA-N 1 1 405.523 3.376 50 0 HGAAMO NC(=O)c1cccc(C(=O)NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)c1 ZINC000040112633 571170744 /nfs/dbraw/zinc/17/07/44/571170744.db2.gz WFPYTFSSJSEZOS-FQEVSTJZSA-N 1 1 405.523 3.376 50 0 HGAAMO Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000040157497 571204150 /nfs/dbraw/zinc/20/41/50/571204150.db2.gz ULHQWPFYUULQNQ-HXUWFJFHSA-N 1 1 408.477 3.230 50 0 HGAAMO Cc1cc(C[NH+]2CCC(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)CC2)on1 ZINC000245180737 571215443 /nfs/dbraw/zinc/21/54/43/571215443.db2.gz ZIRRPJOMGOQULW-UHFFFAOYSA-N 1 1 409.456 3.183 50 0 HGAAMO Cc1ccc(NC(=O)C[NH+]2CCC(C(=O)NCCc3c[nH]c4ccccc34)CC2)cc1 ZINC000009069389 571218355 /nfs/dbraw/zinc/21/83/55/571218355.db2.gz XLELILZPUQPPRU-UHFFFAOYSA-N 1 1 418.541 3.486 50 0 HGAAMO CCCCn1c2ccc(S(N)(=O)=O)cc2nc1C[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000245237529 571219204 /nfs/dbraw/zinc/21/92/04/571219204.db2.gz MGJMOSOSEXRDQM-SJORKVTESA-N 1 1 404.580 3.496 50 0 HGAAMO O=S1(=O)CC[C@H]([NH2+]Cc2cc(Br)ccc2OCc2ccccc2)C1 ZINC000009389496 571254308 /nfs/dbraw/zinc/25/43/08/571254308.db2.gz KKCYVUTUHCAFFA-KRWDZBQOSA-N 1 1 410.333 3.305 50 0 HGAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)c2ccc(NC(=O)C3=CSCCO3)cc2)C1 ZINC000009738117 571283181 /nfs/dbraw/zinc/28/31/81/571283181.db2.gz JYVRHMCWNCYLNC-MRXNPFEDSA-N 1 1 403.548 3.082 50 0 HGAAMO Cc1c(-c2ccccc2)sc(NC(=O)C[NH+]2CCCC2)c1C(=O)N1CCOCC1 ZINC000010278578 571299168 /nfs/dbraw/zinc/29/91/68/571299168.db2.gz IFOABWDSCSQBAC-UHFFFAOYSA-N 1 1 413.543 3.230 50 0 HGAAMO O=C(c1ccc(F)cc1)N1CCC[C@@H](N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC000034676497 571316349 /nfs/dbraw/zinc/31/63/49/571316349.db2.gz GYVSINOAXGPJNT-JOCHJYFZSA-N 1 1 411.521 3.127 50 0 HGAAMO O=C(c1ccc(F)cc1)N1CCC[C@@H]([NH+]2CCN(CCOc3ccccc3)CC2)C1 ZINC000034676497 571316350 /nfs/dbraw/zinc/31/63/50/571316350.db2.gz GYVSINOAXGPJNT-JOCHJYFZSA-N 1 1 411.521 3.127 50 0 HGAAMO Cc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(N4CC[NH+](C)CC4)nn3)cc2)cc1 ZINC000005144818 132303171 /nfs/dbraw/zinc/30/31/71/132303171.db2.gz RDHCMQBUYUHUHK-UHFFFAOYSA-N 1 1 423.542 3.005 50 0 HGAAMO O=C(CC[C@H]1CCC[N@H+](Cc2cccc(O)c2)C1)N1CCN(c2ccccn2)CC1 ZINC000012111668 132354144 /nfs/dbraw/zinc/35/41/44/132354144.db2.gz OGQHAUQVJOVCJG-HXUWFJFHSA-N 1 1 408.546 3.128 50 0 HGAAMO CC[NH+]1CCN(C(=O)c2csc(NC(=O)c3ccccc3C(F)(F)F)n2)CC1 ZINC000040355923 521670834 /nfs/dbraw/zinc/67/08/34/521670834.db2.gz KQSYAPHQZBWKKS-UHFFFAOYSA-N 1 1 412.437 3.192 50 0 HGAAMO CN(C)c1nc(-c2ccccc2)ccc1C(=O)NCC1([NH+]2CCOCC2)CCCC1 ZINC000020136053 522318896 /nfs/dbraw/zinc/31/88/96/522318896.db2.gz KIMCHZUEBMFFHI-UHFFFAOYSA-N 1 1 408.546 3.189 50 0 HGAAMO COc1ccc(C)cc1NC(=O)N1CCN(c2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC000072436971 523832031 /nfs/dbraw/zinc/83/20/31/523832031.db2.gz RMONDOFRMUZWPM-UHFFFAOYSA-N 1 1 410.522 3.138 50 0 HGAAMO Cc1ccccc1-n1cc(C[NH2+]Cc2c(C(=O)N(C)C)nc3ccc(Cl)cn32)cn1 ZINC000020599104 525031607 /nfs/dbraw/zinc/03/16/07/525031607.db2.gz AVYGBLQTMNTUFQ-UHFFFAOYSA-N 1 1 422.920 3.473 50 0 HGAAMO Cc1ccccc1C[NH+]1CCN(C(=O)[C@H](NC(=O)Nc2ccccc2)C(C)C)CC1 ZINC000032676107 525143898 /nfs/dbraw/zinc/14/38/98/525143898.db2.gz GSBTZVHOMZWBKK-JOCHJYFZSA-N 1 1 408.546 3.486 50 0 HGAAMO Cc1cccn2c(C[N@H+]3CC[C@@H](c4ccc(F)cc4)C3)c(C(=O)N3CCOCC3)nc12 ZINC000020539495 525464485 /nfs/dbraw/zinc/46/44/85/525464485.db2.gz OXOKFEBQEJEQEY-LJQANCHMSA-N 1 1 422.504 3.244 50 0 HGAAMO O=c1c2cnc3c(-c4ccc(Cl)cc4)cnn3c2ccn1CCC[NH+]1CCOCC1 ZINC000040397393 527469642 /nfs/dbraw/zinc/46/96/42/527469642.db2.gz RMPHJHPHPPKTDN-UHFFFAOYSA-N 1 1 423.904 3.087 50 0 HGAAMO CC[N@H+]1CCC[C@H]1CNC(=O)C1CCN(c2nc3ccccc3n3cccc23)CC1 ZINC000006782561 535599963 /nfs/dbraw/zinc/59/99/63/535599963.db2.gz XIROBNIRYHIUSE-IBGZPJMESA-N 1 1 405.546 3.304 50 0 HGAAMO CC[NH+]1CCN(C(=O)c2cn3c(n2)CC[C@@H](c2cccc(C(F)(F)F)c2)C3)CC1 ZINC000034898693 557480521 /nfs/dbraw/zinc/48/05/21/557480521.db2.gz XLVSUNACRGNKKY-MRXNPFEDSA-N 1 1 406.452 3.410 50 0 HGAAMO COc1cc(NC(=O)CC[N@@H+](C)CCc2ccc(OC)c(OC)c2)cc(OC)c1 ZINC000004777360 557597128 /nfs/dbraw/zinc/59/71/28/557597128.db2.gz MEPNMLPHXXQASV-UHFFFAOYSA-N 1 1 402.491 3.224 50 0 HGAAMO CC[N@H+]1CCC[C@@H]1CNc1nc2ccc(C(=O)c3ccccc3)cc2n2cnnc12 ZINC000006901587 557729429 /nfs/dbraw/zinc/72/94/29/557729429.db2.gz RAIQMLXIGJSBSR-GOSISDBHSA-N 1 1 400.486 3.405 50 0 HGAAMO COc1ccccc1N1CCN([C@@H]2CCC[N@@H+](Cc3ccc4c(c3)CCO4)C2)CC1 ZINC000022912939 558258464 /nfs/dbraw/zinc/25/84/64/558258464.db2.gz BUTOPUCPVGTAQO-JOCHJYFZSA-N 1 1 407.558 3.417 50 0 HGAAMO COc1ccccc1N1CC[NH+]([C@@H]2CCCN(Cc3ccc4c(c3)CCO4)C2)CC1 ZINC000022912939 558258467 /nfs/dbraw/zinc/25/84/67/558258467.db2.gz BUTOPUCPVGTAQO-JOCHJYFZSA-N 1 1 407.558 3.417 50 0 HGAAMO CCOc1ccc(C[N@@H+]2CCc3nnc([C@H](C)NC(=O)c4ccoc4C)n3CC2)cc1 ZINC000019744609 558265147 /nfs/dbraw/zinc/26/51/47/558265147.db2.gz ZNHDCOVQXPGFBY-INIZCTEOSA-N 1 1 423.517 3.128 50 0 HGAAMO COc1ccc(CC[N@@H+](C)[C@@H]2CCCN(C(=O)/C=C/c3cccnc3)C2)cc1OC ZINC000011662282 558266179 /nfs/dbraw/zinc/26/61/79/558266179.db2.gz WJYQKAGEEKHMHC-FKVRIVCVSA-N 1 1 409.530 3.278 50 0 HGAAMO COc1ccc(CN(C)Cc2ccc(C)o2)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000011763025 558273648 /nfs/dbraw/zinc/27/36/48/558273648.db2.gz LYUHHTWOWFGBMW-HXUWFJFHSA-N 1 1 402.535 3.454 50 0 HGAAMO CN(C[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1)C(=O)CN1CCCCC1=O ZINC000011764961 558273843 /nfs/dbraw/zinc/27/38/43/558273843.db2.gz ZWDZVCYKAZTVNC-IBGZPJMESA-N 1 1 405.970 3.065 50 0 HGAAMO CCOC(=O)[C@]1(Cc2ccc(F)cc2F)CCC[N@H+](C2CCN(C(C)=O)CC2)C1 ZINC000011817523 558280999 /nfs/dbraw/zinc/28/09/99/558280999.db2.gz LOGBHXDZHUPWOZ-QFIPXVFZSA-N 1 1 408.489 3.164 50 0 HGAAMO COc1cc(-c2n[nH]cc2C[N@H+](C)Cc2[nH]nc3c2CCCC3)cc(OC)c1OC ZINC000011818470 558281570 /nfs/dbraw/zinc/28/15/70/558281570.db2.gz OFSUYGWFIJAVDV-UHFFFAOYSA-N 1 1 411.506 3.336 50 0 HGAAMO COc1cc(-c2n[nH]cc2C[N@@H+](C)Cc2[nH]nc3c2CCCC3)cc(OC)c1OC ZINC000011818470 558281572 /nfs/dbraw/zinc/28/15/72/558281572.db2.gz OFSUYGWFIJAVDV-UHFFFAOYSA-N 1 1 411.506 3.336 50 0 HGAAMO CN(C(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1)C1CC[NH+](C)CC1 ZINC000011818256 558281586 /nfs/dbraw/zinc/28/15/86/558281586.db2.gz LSJVNPJPIWQOGJ-UHFFFAOYSA-N 1 1 422.573 3.291 50 0 HGAAMO CCOC(=O)[C@]1(CCOC)CCC[N@@H+](Cc2c[nH]nc2-c2ccc(OC)cc2)C1 ZINC000011820123 558283405 /nfs/dbraw/zinc/28/34/05/558283405.db2.gz RDKCCYUWUVEIKL-QFIPXVFZSA-N 1 1 401.507 3.267 50 0 HGAAMO COc1cccc(CN2CCC[C@@]3(CC[N@@H+](Cc4cccc(C)n4)C3)C2=O)c1OC ZINC000011822105 558285419 /nfs/dbraw/zinc/28/54/19/558285419.db2.gz KVGTYLXUCQBRJA-DEOSSOPVSA-N 1 1 409.530 3.422 50 0 HGAAMO O=C(CCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)N1CCCC1 ZINC000019831436 558291721 /nfs/dbraw/zinc/29/17/21/558291721.db2.gz BPZSKQXCKBIASX-UHFFFAOYSA-N 1 1 405.542 3.323 50 0 HGAAMO COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000011878645 558293040 /nfs/dbraw/zinc/29/30/40/558293040.db2.gz ZYMIMCMUMXGBNB-HXUWFJFHSA-N 1 1 402.560 3.331 50 0 HGAAMO OCC[C@@H]1C[N@H+](C2CCN(c3ccccc3F)CC2)CCN1Cc1cccs1 ZINC000019840775 558294057 /nfs/dbraw/zinc/29/40/57/558294057.db2.gz OWXCSGTYRWWHSB-LJQANCHMSA-N 1 1 403.567 3.425 50 0 HGAAMO OCC[C@@H]1CN(C2CCN(c3ccccc3F)CC2)CC[N@@H+]1Cc1cccs1 ZINC000019840775 558294059 /nfs/dbraw/zinc/29/40/59/558294059.db2.gz OWXCSGTYRWWHSB-LJQANCHMSA-N 1 1 403.567 3.425 50 0 HGAAMO OCC[C@@H]1CN(C2CCN(c3ccccc3F)CC2)CC[N@H+]1Cc1cccs1 ZINC000019840775 558294061 /nfs/dbraw/zinc/29/40/61/558294061.db2.gz OWXCSGTYRWWHSB-LJQANCHMSA-N 1 1 403.567 3.425 50 0 HGAAMO COC(=O)c1ccc(C[N@H+]2CC[C@H]3[C@H](CCCN3C(=O)CCc3cccnc3)C2)cc1 ZINC000011912681 558297184 /nfs/dbraw/zinc/29/71/84/558297184.db2.gz LHXMRIHPXOOKMM-PKTZIBPZSA-N 1 1 421.541 3.314 50 0 HGAAMO C[C@H](CC[N@@H+]1CCc2nnc(CNC(=O)c3ccccc3)n2CC1)c1ccccc1 ZINC000011999318 558307893 /nfs/dbraw/zinc/30/78/93/558307893.db2.gz SZJGTLXWRPVEON-LJQANCHMSA-N 1 1 403.530 3.260 50 0 HGAAMO OCC[C@H]1CN(Cc2c[nH]nc2-c2ccc(F)cc2)CC[N@H+]1Cc1cccs1 ZINC000019940082 558313998 /nfs/dbraw/zinc/31/39/98/558313998.db2.gz DRGBXPSBVLNXHM-IBGZPJMESA-N 1 1 400.523 3.346 50 0 HGAAMO CCc1ccc(Nc2nc(N)nc(CN3CC[NH+](Cc4ccccc4)CC3)n2)cc1 ZINC000019944375 558314566 /nfs/dbraw/zinc/31/45/66/558314566.db2.gz HBWPVRIWFJDGQF-UHFFFAOYSA-N 1 1 403.534 3.078 50 0 HGAAMO Cc1cc(=O)n2c(n1)NC(N1CCN(c3ccccc3)CC1)=[NH+][C@@H]2c1ccccc1 ZINC000020028270 558322860 /nfs/dbraw/zinc/32/28/60/558322860.db2.gz DBFTZCDJCPNXEZ-NRFANRHFSA-N 1 1 400.486 3.409 50 0 HGAAMO CC[C@@H]1C[N@H+](CCNC(=O)Cc2c(F)cc(F)cc2F)Cc2cc(OC)ccc2O1 ZINC000012099681 558325828 /nfs/dbraw/zinc/32/58/28/558325828.db2.gz SYAXKDUVEGEUFX-MRXNPFEDSA-N 1 1 422.447 3.444 50 0 HGAAMO CC[C@@H]1C[N@@H+](CCNC(=O)Cc2c(F)cc(F)cc2F)Cc2cc(OC)ccc2O1 ZINC000012099681 558325832 /nfs/dbraw/zinc/32/58/32/558325832.db2.gz SYAXKDUVEGEUFX-MRXNPFEDSA-N 1 1 422.447 3.444 50 0 HGAAMO CCOC(=O)C1(Cc2cccc(F)c2)CCN(C(=O)CCn2cc[nH+]c2C)CC1 ZINC000012299692 558337522 /nfs/dbraw/zinc/33/75/22/558337522.db2.gz NCNBUOQHOYSHQS-UHFFFAOYSA-N 1 1 401.482 3.135 50 0 HGAAMO CC(=O)N1CCC(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000020161730 558342645 /nfs/dbraw/zinc/34/26/45/558342645.db2.gz NSBBVPWUQLSECY-UHFFFAOYSA-N 1 1 405.542 3.179 50 0 HGAAMO Cc1ccccc1C[N@H+]1CCN(Cc2cnn(-c3ccccc3F)c2)C[C@@H]1CCO ZINC000020202790 558346065 /nfs/dbraw/zinc/34/60/65/558346065.db2.gz FIYKRICMJPUFLY-QFIPXVFZSA-N 1 1 408.521 3.389 50 0 HGAAMO CCOCc1cc(CN2CC[N@H+](Cc3cccc(C)n3)[C@@H](CCO)C2)ccc1OC ZINC000020206147 558346760 /nfs/dbraw/zinc/34/67/60/558346760.db2.gz UNHYGHZDKIOUMJ-QHCPKHFHSA-N 1 1 413.562 3.004 50 0 HGAAMO CCOCc1cc(CN2CC[N@@H+](Cc3cccc(C)n3)[C@@H](CCO)C2)ccc1OC ZINC000020206147 558346762 /nfs/dbraw/zinc/34/67/62/558346762.db2.gz UNHYGHZDKIOUMJ-QHCPKHFHSA-N 1 1 413.562 3.004 50 0 HGAAMO CCOCc1cc(C[N@@H+]2CCN(Cc3cccc(C)n3)[C@@H](CCO)C2)ccc1OC ZINC000020206147 558346763 /nfs/dbraw/zinc/34/67/63/558346763.db2.gz UNHYGHZDKIOUMJ-QHCPKHFHSA-N 1 1 413.562 3.004 50 0 HGAAMO CCOCc1cc(C[N@H+]2CCN(Cc3cccc(C)n3)[C@@H](CCO)C2)ccc1OC ZINC000020206147 558346764 /nfs/dbraw/zinc/34/67/64/558346764.db2.gz UNHYGHZDKIOUMJ-QHCPKHFHSA-N 1 1 413.562 3.004 50 0 HGAAMO CC(C)(C)c1ccc(-n2ncc3c2CCC[C@H]3NC(=O)C[NH+]2CCC(O)CC2)cc1 ZINC000012203340 558351946 /nfs/dbraw/zinc/35/19/46/558351946.db2.gz IEXUPHZICUGSIS-OAQYLSRUSA-N 1 1 410.562 3.120 50 0 HGAAMO CCOC(=O)N1CCN([C@@H]2CCC[N@@H+](Cc3c[nH]nc3C3CCCCC3)C2)CC1 ZINC000020452630 558366889 /nfs/dbraw/zinc/36/68/89/558366889.db2.gz XFULBQISULUWKO-HXUWFJFHSA-N 1 1 403.571 3.196 50 0 HGAAMO OCC[C@H]1CN(Cc2c[nH]nc2-c2cccc(F)c2)CC[N@@H+]1Cc1ccsc1 ZINC000020455835 558369508 /nfs/dbraw/zinc/36/95/08/558369508.db2.gz NMQJEETUWDQYDL-FQEVSTJZSA-N 1 1 400.523 3.346 50 0 HGAAMO OCC[C@H]1CN(Cc2c[nH]nc2-c2cccc(F)c2)CC[N@H+]1Cc1ccsc1 ZINC000020455835 558369510 /nfs/dbraw/zinc/36/95/10/558369510.db2.gz NMQJEETUWDQYDL-FQEVSTJZSA-N 1 1 400.523 3.346 50 0 HGAAMO Cc1nc[nH]c1C[NH+]1CCC(Oc2ccc(C(=O)NCc3ccccn3)cc2)CC1 ZINC000012300637 558370331 /nfs/dbraw/zinc/37/03/31/558370331.db2.gz XEMCVIJKCWIBGO-UHFFFAOYSA-N 1 1 405.502 3.087 50 0 HGAAMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@H]1CCC(=O)N(Cc2ccccc2F)C1 ZINC000012302330 558372065 /nfs/dbraw/zinc/37/20/65/558372065.db2.gz MBJSSNJVQLYTKE-FQEVSTJZSA-N 1 1 420.488 3.375 50 0 HGAAMO COC(=O)c1ccc(-c2noc(C[N@H+](C)Cc3cccc(-n4cccn4)c3)n2)cc1 ZINC000012303052 558372682 /nfs/dbraw/zinc/37/26/82/558372682.db2.gz MUMSSSWDNOQFDB-UHFFFAOYSA-N 1 1 403.442 3.341 50 0 HGAAMO COC(=O)c1ccc(-c2noc(C[N@@H+](C)Cc3cccc(-n4cccn4)c3)n2)cc1 ZINC000012303052 558372683 /nfs/dbraw/zinc/37/26/83/558372683.db2.gz MUMSSSWDNOQFDB-UHFFFAOYSA-N 1 1 403.442 3.341 50 0 HGAAMO O=C(CC[NH+]1CCN(CC(=O)Nc2ccccc2Cl)CC1)Nc1cccc(F)c1 ZINC000022931134 558397241 /nfs/dbraw/zinc/39/72/41/558397241.db2.gz SPWNKVQINMRSOP-UHFFFAOYSA-N 1 1 418.900 3.064 50 0 HGAAMO COc1ccc(OC)c(CN(CCC[NH+]2CCOCC2)C(=O)Nc2ccccc2)c1 ZINC000020663596 558398135 /nfs/dbraw/zinc/39/81/35/558398135.db2.gz XWBUHWSHLTWLJX-UHFFFAOYSA-N 1 1 413.518 3.460 50 0 HGAAMO COc1ccc(CN2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)c(C)c1C ZINC000020774838 558411743 /nfs/dbraw/zinc/41/17/43/558411743.db2.gz WPXQQEWVAWNXRX-QHCPKHFHSA-N 1 1 403.611 3.053 50 0 HGAAMO Cc1cc(OCc2cc(C(=O)N(C)CCC[NH+]3CCOCC3)no2)cc(C)c1Cl ZINC000020778378 558412441 /nfs/dbraw/zinc/41/24/41/558412441.db2.gz KMUULWLSURQLRF-UHFFFAOYSA-N 1 1 421.925 3.318 50 0 HGAAMO OCC[C@H]1CN(Cc2cnn(-c3ccccc3)c2)CC[N@H+]1CCCc1ccccc1 ZINC000020906103 558421081 /nfs/dbraw/zinc/42/10/81/558421081.db2.gz RAGWCKBORKWYSY-VWLOTQADSA-N 1 1 404.558 3.374 50 0 HGAAMO CC[N@H+](Cc1ccc(Cl)s1)Cc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000021300680 558435165 /nfs/dbraw/zinc/43/51/65/558435165.db2.gz MNVOJESFIYFDPV-UHFFFAOYSA-N 1 1 414.980 3.445 50 0 HGAAMO CC[N@@H+](Cc1ccc(Cl)s1)Cc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000021300680 558435170 /nfs/dbraw/zinc/43/51/70/558435170.db2.gz MNVOJESFIYFDPV-UHFFFAOYSA-N 1 1 414.980 3.445 50 0 HGAAMO CC(C)Cc1cc(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)[nH]c(=O)n1 ZINC000012612412 558438922 /nfs/dbraw/zinc/43/89/22/558438922.db2.gz UAMCZVYTFOXKEW-KRWDZBQOSA-N 1 1 402.926 3.016 50 0 HGAAMO CC(C)Cc1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)[nH]c(=O)n1 ZINC000012612412 558438924 /nfs/dbraw/zinc/43/89/24/558438924.db2.gz UAMCZVYTFOXKEW-KRWDZBQOSA-N 1 1 402.926 3.016 50 0 HGAAMO COc1ccccc1NC(=O)N1CCN(c2cc(N3CCCCC3)nc(C)[nH+]2)CC1 ZINC000021795191 558449408 /nfs/dbraw/zinc/44/94/08/558449408.db2.gz DCFPVBYPGKFINL-UHFFFAOYSA-N 1 1 410.522 3.138 50 0 HGAAMO COc1cc(C[NH2+]C2CCCCCC2)ccc1OC[C@H](O)CN1CCSCC1 ZINC000012707426 558450542 /nfs/dbraw/zinc/45/05/42/558450542.db2.gz SKNKBUDTWMNXFB-HXUWFJFHSA-N 1 1 408.608 3.296 50 0 HGAAMO COc1ccc(OCc2cc(C(=O)N3CC[NH+](CC4CC4)CC3)no2)c(Cl)c1 ZINC000012714519 558454347 /nfs/dbraw/zinc/45/43/47/558454347.db2.gz SGHJVPQJYBWXCR-UHFFFAOYSA-N 1 1 405.882 3.083 50 0 HGAAMO O=C(C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1)NCc1ccccc1Cl ZINC000012798441 558470444 /nfs/dbraw/zinc/47/04/44/558470444.db2.gz WMQLTJUSBPDWOI-UHFFFAOYSA-N 1 1 401.894 3.013 50 0 HGAAMO O=S(=O)(NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1C(F)(F)F ZINC000022358793 558483026 /nfs/dbraw/zinc/48/30/26/558483026.db2.gz OKKKSDQCNVDAGV-UHFFFAOYSA-N 1 1 414.449 3.016 50 0 HGAAMO CCc1ccc(NC(=O)[C@H](C)N2CC[NH+](CCOc3ccc(OC)cc3)CC2)cc1 ZINC000022772801 558509048 /nfs/dbraw/zinc/50/90/48/558509048.db2.gz XXZREPZHVKZYOE-IBGZPJMESA-N 1 1 411.546 3.281 50 0 HGAAMO Cc1ccc(Nc2nc(N)nc(CN3CC[NH+](Cc4ccccc4)CC3)n2)cc1Cl ZINC000022808728 558514043 /nfs/dbraw/zinc/51/40/43/558514043.db2.gz XRXRCXSCBAOELG-UHFFFAOYSA-N 1 1 423.952 3.477 50 0 HGAAMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1OC[C@H]1CCCO1 ZINC000022872177 558518132 /nfs/dbraw/zinc/51/81/32/558518132.db2.gz BHTJXZJMLFCOBM-OAQYLSRUSA-N 1 1 410.514 3.007 50 0 HGAAMO C[C@@H](C(=O)NCc1cccs1)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000022931675 558524398 /nfs/dbraw/zinc/52/43/98/558524398.db2.gz XWMMHLGNZCWZIO-INIZCTEOSA-N 1 1 407.967 3.103 50 0 HGAAMO Cc1cccc(C[N@@H+]2CCc3nnc([C@H](C)NC(=O)c4ccccc4C)n3CC2)c1 ZINC000023128882 558536511 /nfs/dbraw/zinc/53/65/11/558536511.db2.gz PESHXVDSJBYMAC-IBGZPJMESA-N 1 1 403.530 3.444 50 0 HGAAMO Cc1cc(C)c(C[N@@H+]2CCc3nnc(CNC(=O)Cc4ccccc4)n3CC2)cc1C ZINC000023128974 558536660 /nfs/dbraw/zinc/53/66/60/558536660.db2.gz LEPSZIRBVAVQJQ-UHFFFAOYSA-N 1 1 417.557 3.121 50 0 HGAAMO OCC[C@@H]1CN(Cc2ccc(Oc3ncccn3)cc2)CC[N@@H+]1Cc1ccsc1 ZINC000023359853 558551843 /nfs/dbraw/zinc/55/18/43/558551843.db2.gz UHABOMSAXBZJBE-HXUWFJFHSA-N 1 1 410.543 3.399 50 0 HGAAMO OCC[C@@H]1CN(Cc2ccc(Oc3ncccn3)cc2)CC[N@H+]1Cc1ccsc1 ZINC000023359853 558551846 /nfs/dbraw/zinc/55/18/46/558551846.db2.gz UHABOMSAXBZJBE-HXUWFJFHSA-N 1 1 410.543 3.399 50 0 HGAAMO OCC[C@@H]1C[N@H+](Cc2ccc(Oc3ncccn3)cc2)CCN1Cc1ccsc1 ZINC000023359853 558551849 /nfs/dbraw/zinc/55/18/49/558551849.db2.gz UHABOMSAXBZJBE-HXUWFJFHSA-N 1 1 410.543 3.399 50 0 HGAAMO OCC[C@@H]1C[N@@H+](Cc2ccc(Oc3ncccn3)cc2)CCN1Cc1ccsc1 ZINC000023359853 558551851 /nfs/dbraw/zinc/55/18/51/558551851.db2.gz UHABOMSAXBZJBE-HXUWFJFHSA-N 1 1 410.543 3.399 50 0 HGAAMO CC(C)C[C@@H](NC(N)=O)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000024149194 558590528 /nfs/dbraw/zinc/59/05/28/558590528.db2.gz ASYYJXHEVWKFQT-OAQYLSRUSA-N 1 1 408.546 3.003 50 0 HGAAMO CC(C)C[C@H](NC(N)=O)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000024149198 558590574 /nfs/dbraw/zinc/59/05/74/558590574.db2.gz ASYYJXHEVWKFQT-NRFANRHFSA-N 1 1 408.546 3.003 50 0 HGAAMO COc1ccccc1NC(=O)CC[NH+]1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000024898078 558619496 /nfs/dbraw/zinc/61/94/96/558619496.db2.gz RQXYNVVXHZMYDU-UHFFFAOYSA-N 1 1 401.894 3.135 50 0 HGAAMO CC[NH+]1CCN(c2ccc(NC(=O)CSc3nc(C4CCCC4)n[nH]3)cc2)CC1 ZINC000025244547 558635717 /nfs/dbraw/zinc/63/57/17/558635717.db2.gz LYCULWUXCVIASQ-UHFFFAOYSA-N 1 1 414.579 3.335 50 0 HGAAMO CCOc1cc(C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)ccc1OC(F)F ZINC000026061988 558654480 /nfs/dbraw/zinc/65/44/80/558654480.db2.gz LNBRGYQSJVLAHE-INIZCTEOSA-N 1 1 400.466 3.163 50 0 HGAAMO COc1ccc(-c2nn(-c3ccccc3F)cc2C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000014974966 558688836 /nfs/dbraw/zinc/68/88/36/558688836.db2.gz CHBJQIGQSWUVRP-QGZVFWFLSA-N 1 1 408.477 3.384 50 0 HGAAMO O=c1c2c(ncn1CCc1ccc(F)cc1)sc1c2CC[C@@H]([NH+]2CCOCC2)C1 ZINC000014988171 558693306 /nfs/dbraw/zinc/69/33/06/558693306.db2.gz PDSCIQYDONCDLC-QGZVFWFLSA-N 1 1 413.518 3.029 50 0 HGAAMO C[N@@H+](CCn1cccn1)Cc1cc2ccc(Cl)cc2n(Cc2ccccn2)c1=O ZINC000014993433 558695275 /nfs/dbraw/zinc/69/52/75/558695275.db2.gz OTARVPQMPZHJOU-UHFFFAOYSA-N 1 1 407.905 3.427 50 0 HGAAMO C[C@H](NC(=O)CCc1ccccc1)c1nnc2n1CC[N@H+](Cc1cccc(F)c1)CC2 ZINC000014993598 558695294 /nfs/dbraw/zinc/69/52/94/558695294.db2.gz XRWGNKRKECJCRD-SFHVURJKSA-N 1 1 421.520 3.286 50 0 HGAAMO O=C(NCCCc1ccncc1)[C@H]1CC12CC[NH+](Cc1nc3ccccc3[nH]1)CC2 ZINC000015008657 558699485 /nfs/dbraw/zinc/69/94/85/558699485.db2.gz IDAPNUSLYKWOBX-LJQANCHMSA-N 1 1 403.530 3.309 50 0 HGAAMO CSc1ccc(C[N@H+]2CC[C@@H](N3CCN(c4ccccc4F)CC3)[C@H](O)C2)cc1 ZINC000015066427 558709384 /nfs/dbraw/zinc/70/93/84/558709384.db2.gz BVIHIYJSWDCFOR-DHIUTWEWSA-N 1 1 415.578 3.305 50 0 HGAAMO CSc1ccc(CN2CC[C@@H]([NH+]3CCN(c4ccccc4F)CC3)[C@H](O)C2)cc1 ZINC000015066427 558709386 /nfs/dbraw/zinc/70/93/86/558709386.db2.gz BVIHIYJSWDCFOR-DHIUTWEWSA-N 1 1 415.578 3.305 50 0 HGAAMO CCc1ccc([C@H](C)NC(=O)[C@H](C)N2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000072305623 558762129 /nfs/dbraw/zinc/76/21/29/558762129.db2.gz FZVQBVBSEZYQMJ-PMACEKPBSA-N 1 1 401.595 3.392 50 0 HGAAMO C[C@H]([C@@H](O)c1ccccc1)[N@H+](C)CC(=O)Nc1c2c(nc3ccccc31)N(C)CC2 ZINC000002878892 558779717 /nfs/dbraw/zinc/77/97/17/558779717.db2.gz MTEJNBMIYJMXNT-WAIKUNEKSA-N 1 1 404.514 3.220 50 0 HGAAMO C[C@H]([C@@H](O)c1ccccc1)[N@@H+](C)CC(=O)Nc1c2c(nc3ccccc31)N(C)CC2 ZINC000002878892 558779719 /nfs/dbraw/zinc/77/97/19/558779719.db2.gz MTEJNBMIYJMXNT-WAIKUNEKSA-N 1 1 404.514 3.220 50 0 HGAAMO C[N@@H+]1CCN2c3ccccc3C[C@@]3(C(=O)NC(=O)N(c4ccccc4Cl)C3=O)[C@@H]2C1 ZINC000017028916 558812390 /nfs/dbraw/zinc/81/23/90/558812390.db2.gz HJSFJQDWUUWQDX-AVRDEDQJSA-N 1 1 424.888 3.126 50 0 HGAAMO C[N@H+]1CCN2c3ccccc3C[C@@]3(C(=O)NC(=O)N(c4ccccc4Cl)C3=O)[C@@H]2C1 ZINC000017028916 558812392 /nfs/dbraw/zinc/81/23/92/558812392.db2.gz HJSFJQDWUUWQDX-AVRDEDQJSA-N 1 1 424.888 3.126 50 0 HGAAMO Cc1cc2nc(C)c(=O)n(CCC(=O)NCCC[N@H+](C)C3CCCCC3)c2cc1C ZINC000033005703 558827456 /nfs/dbraw/zinc/82/74/56/558827456.db2.gz QQUWAUKTRSXIJT-UHFFFAOYSA-N 1 1 412.578 3.483 50 0 HGAAMO O=S(=O)(Cc1ccccc1)NC[C@H]1CCC[N@@H+](Cc2ccc(O)c(Cl)c2)C1 ZINC000019148837 558847005 /nfs/dbraw/zinc/84/70/05/558847005.db2.gz GABIVWRTHQRHRT-GOSISDBHSA-N 1 1 408.951 3.377 50 0 HGAAMO O=S(=O)(Cc1ccccc1)NC[C@H]1CCC[N@H+](Cc2ccc(O)c(Cl)c2)C1 ZINC000019148837 558847006 /nfs/dbraw/zinc/84/70/06/558847006.db2.gz GABIVWRTHQRHRT-GOSISDBHSA-N 1 1 408.951 3.377 50 0 HGAAMO CC(=O)c1[nH]c(C)c(C(=O)N2CCC[C@H]([NH+]3CCN(c4ccccc4)CC3)C2)c1C ZINC000055211497 558876025 /nfs/dbraw/zinc/87/60/25/558876025.db2.gz IMBWWVUIUFZGOG-NRFANRHFSA-N 1 1 408.546 3.261 50 0 HGAAMO Cn1ccnc1C[NH+]1CCC(C(=O)NCc2cccnc2Oc2cccc(F)c2)CC1 ZINC000058100820 558898890 /nfs/dbraw/zinc/89/88/90/558898890.db2.gz OJRHAGJTOOYBKF-UHFFFAOYSA-N 1 1 423.492 3.275 50 0 HGAAMO O=C(CCCNC(=O)NC1CCCCC1)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000058131113 558900532 /nfs/dbraw/zinc/90/05/32/558900532.db2.gz QVONLLHHKGKQGA-OAQYLSRUSA-N 1 1 414.594 3.427 50 0 HGAAMO C[N@H+]1CCCN(C(=O)c2ccccc2NC(=O)c2cccc(Br)c2)CC1 ZINC000058152780 558902684 /nfs/dbraw/zinc/90/26/84/558902684.db2.gz ZPRCTEDAVIUWFF-UHFFFAOYSA-N 1 1 416.319 3.479 50 0 HGAAMO CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1C[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000058170507 558907904 /nfs/dbraw/zinc/90/79/04/558907904.db2.gz VNINISDJEULANV-ZDUSSCGKSA-N 1 1 422.501 3.436 50 0 HGAAMO CCN(Cc1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)nc2ccccn21)C1CC1 ZINC000071753916 558909355 /nfs/dbraw/zinc/90/93/55/558909355.db2.gz LVTBCKGBOBFKPO-UHFFFAOYSA-N 1 1 409.578 3.409 50 0 HGAAMO C[N@H+]1CCC[C@@H](NC(=O)NCc2ccccc2-c2ccc(CN3CCCC3=O)cc2)C1 ZINC000058268287 558916038 /nfs/dbraw/zinc/91/60/38/558916038.db2.gz ZWUITWIVFYVLLD-JOCHJYFZSA-N 1 1 420.557 3.369 50 0 HGAAMO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2NC(=O)c2cc(-c3ccccc3)[nH]n2)C1 ZINC000058441016 558927630 /nfs/dbraw/zinc/92/76/30/558927630.db2.gz LZNPGQMLAIHTNU-GOSISDBHSA-N 1 1 403.486 3.026 50 0 HGAAMO NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2NC(=O)c2cc(-c3ccccc3)n[nH]2)C1 ZINC000058441016 558927633 /nfs/dbraw/zinc/92/76/33/558927633.db2.gz LZNPGQMLAIHTNU-GOSISDBHSA-N 1 1 403.486 3.026 50 0 HGAAMO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2NC(=O)c2cc(-c3ccccc3)n[nH]2)C1 ZINC000058441016 558927634 /nfs/dbraw/zinc/92/76/34/558927634.db2.gz LZNPGQMLAIHTNU-GOSISDBHSA-N 1 1 403.486 3.026 50 0 HGAAMO Cc1ccc(NC(=O)N2CCN(c3cc[nH+]c(N4CCCC4)n3)CC2)cc1Cl ZINC000072140669 558929236 /nfs/dbraw/zinc/92/92/36/558929236.db2.gz BWPDGSCGWHJHEJ-UHFFFAOYSA-N 1 1 400.914 3.393 50 0 HGAAMO O=C(c1c(F)cccc1Cl)N1CCN(c2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC000072140674 558929323 /nfs/dbraw/zinc/92/93/23/558929323.db2.gz FRMIXFAAFXRJSE-UHFFFAOYSA-N 1 1 403.889 3.222 50 0 HGAAMO CCC(CC)[C@@H](CNC(=O)COc1ccc(C(F)(F)F)cc1)[NH+]1CCOCC1 ZINC000059010031 558931429 /nfs/dbraw/zinc/93/14/29/558931429.db2.gz URWUUCLCQBKMSF-GOSISDBHSA-N 1 1 402.457 3.337 50 0 HGAAMO COC(=O)c1ccc(C[N@@H+]2C[C@H](Sc3ccccn3)C[C@H]2C(=O)NC(C)C)cc1 ZINC000059343222 558934396 /nfs/dbraw/zinc/93/43/96/558934396.db2.gz YSYHJTPMYUXZNH-MOPGFXCFSA-N 1 1 413.543 3.128 50 0 HGAAMO COC(=O)c1ccc(C[N@H+]2C[C@H](Sc3ccccn3)C[C@H]2C(=O)NC(C)C)cc1 ZINC000059343222 558934399 /nfs/dbraw/zinc/93/43/99/558934399.db2.gz YSYHJTPMYUXZNH-MOPGFXCFSA-N 1 1 413.543 3.128 50 0 HGAAMO Cc1ccc(NC(=O)c2nnc(CCC(=O)NCC[N@@H+]3CCCC[C@@H]3C)s2)cc1 ZINC000033062072 558955894 /nfs/dbraw/zinc/95/58/94/558955894.db2.gz IXMWZKSQIYXKSN-INIZCTEOSA-N 1 1 415.563 3.022 50 0 HGAAMO CCNc1cc(N2CCN(C(=O)Nc3cc(Cl)ccc3OC)CC2)[nH+]c(C)n1 ZINC000065364918 558975973 /nfs/dbraw/zinc/97/59/73/558975973.db2.gz DPIGTEDTTCVFID-UHFFFAOYSA-N 1 1 404.902 3.233 50 0 HGAAMO CC[N@H+](Cc1cc(OC)c(OC)c(OC)c1)Cc1cc(=O)n2c(C)csc2n1 ZINC000033068979 558980744 /nfs/dbraw/zinc/98/07/44/558980744.db2.gz MHJVRWQAOMCIOY-UHFFFAOYSA-N 1 1 403.504 3.112 50 0 HGAAMO CC[N@@H+](Cc1cc(OC)c(OC)c(OC)c1)Cc1cc(=O)n2c(C)csc2n1 ZINC000033068979 558980745 /nfs/dbraw/zinc/98/07/45/558980745.db2.gz MHJVRWQAOMCIOY-UHFFFAOYSA-N 1 1 403.504 3.112 50 0 HGAAMO O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC000072446905 558982632 /nfs/dbraw/zinc/98/26/32/558982632.db2.gz MJDOLDJCJMWVDN-UHFFFAOYSA-N 1 1 420.439 3.450 50 0 HGAAMO C[C@@H](NC(=O)c1cc(C[NH+]2CCC(Cc3ccccc3)CC2)on1)c1cnn(C)c1 ZINC000067446617 558986518 /nfs/dbraw/zinc/98/65/18/558986518.db2.gz OKSOKEVPWMWFEQ-QGZVFWFLSA-N 1 1 407.518 3.354 50 0 HGAAMO COc1ccc(N(CC(F)(F)F)C(=O)C[N@H+](C)Cc2ccc3c(c2)OCCO3)cc1 ZINC000011231554 558987033 /nfs/dbraw/zinc/98/70/33/558987033.db2.gz NRUHKSOWCVOTMG-UHFFFAOYSA-N 1 1 424.419 3.494 50 0 HGAAMO COc1ccc(N(CC(F)(F)F)C(=O)C[N@@H+](C)Cc2ccc3c(c2)OCCO3)cc1 ZINC000011231554 558987035 /nfs/dbraw/zinc/98/70/35/558987035.db2.gz NRUHKSOWCVOTMG-UHFFFAOYSA-N 1 1 424.419 3.494 50 0 HGAAMO CCOc1ccc(C(=O)N2CCN(c3cc(N4CCCCC4)nc(C)[nH+]3)CC2)cc1 ZINC000067613606 558989391 /nfs/dbraw/zinc/98/93/91/558989391.db2.gz LZMJFDMOPKHGCL-UHFFFAOYSA-N 1 1 409.534 3.136 50 0 HGAAMO O=C(c1cc(CN2CCC(Cc3ccccc3)CC2)on1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000067885887 558994443 /nfs/dbraw/zinc/99/44/43/558994443.db2.gz YFYHCYUNCCYFSK-OAQYLSRUSA-N 1 1 408.546 3.050 50 0 HGAAMO C[NH+](C)Cc1cccc(C(=O)N[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)c1 ZINC000097108897 558995179 /nfs/dbraw/zinc/99/51/79/558995179.db2.gz FVOCOFRAZXWDQQ-KRWDZBQOSA-N 1 1 403.408 3.405 50 0 HGAAMO C/C=C/c1ccc(OC[C@H](O)C[NH+]2CCN(c3ccc(F)cc3)CC2)c(OC)c1 ZINC000023115557 559012931 /nfs/dbraw/zinc/01/29/31/559012931.db2.gz FVXJIABGXOOMQB-YEFOHOTDSA-N 1 1 400.494 3.429 50 0 HGAAMO Cc1cccc(C(=O)N2CCC([N@H+]3CCC[C@H](C(=O)NCc4cccnc4)C3)CC2)c1 ZINC000082096810 559037466 /nfs/dbraw/zinc/03/74/66/559037466.db2.gz HKESFMXRYVETQP-QFIPXVFZSA-N 1 1 420.557 3.023 50 0 HGAAMO O=C(NCc1cccnc1)[C@@H]1CCC[N@H+](C2CCN(c3ccc(Cl)cn3)CC2)C1 ZINC000082120771 559039359 /nfs/dbraw/zinc/03/93/59/559039359.db2.gz UAHCOMRGRKTKSD-GOSISDBHSA-N 1 1 413.953 3.127 50 0 HGAAMO CCN(CCOC)C(=O)[C@H]1CCC[N@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000082146978 559040856 /nfs/dbraw/zinc/04/08/56/559040856.db2.gz CTXJOOMOTSGYJF-SFHVURJKSA-N 1 1 414.550 3.004 50 0 HGAAMO CCCn1c2ccccc2nc(-c2ccc(C(=O)N3CCC[N@@H+](C)CC3)cc2)c1=O ZINC000033298501 559047930 /nfs/dbraw/zinc/04/79/30/559047930.db2.gz WKJIJHQHHSOGKF-UHFFFAOYSA-N 1 1 404.514 3.251 50 0 HGAAMO Cc1cc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCN(Cc3ccccc3F)C2)no1 ZINC000095499325 559081894 /nfs/dbraw/zinc/08/18/94/559081894.db2.gz AKERWWZCFFKRSJ-GOSISDBHSA-N 1 1 402.514 3.038 50 0 HGAAMO CCOc1cc(CNC[C@H]2CCC[N@@H+]2CC)ccc1Oc1nnnn1-c1ccccc1 ZINC000096319052 559109903 /nfs/dbraw/zinc/10/99/03/559109903.db2.gz LOGLACYTPGZRNM-HXUWFJFHSA-N 1 1 422.533 3.427 50 0 HGAAMO CCOc1cc(CNC[C@H]2CCC[N@H+]2CC)ccc1Oc1nnnn1-c1ccccc1 ZINC000096319052 559109905 /nfs/dbraw/zinc/10/99/05/559109905.db2.gz LOGLACYTPGZRNM-HXUWFJFHSA-N 1 1 422.533 3.427 50 0 HGAAMO CC(C)C[C@@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)N1C(=O)c2ccccc2C1=O ZINC000033374753 559116323 /nfs/dbraw/zinc/11/63/23/559116323.db2.gz SSEYJCGJEQNUNH-QFIPXVFZSA-N 1 1 419.525 3.042 50 0 HGAAMO O=C1C[C@@H](N2CC[NH+](Cc3ccccc3)CC2)C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000100531899 559136324 /nfs/dbraw/zinc/13/63/24/559136324.db2.gz ISGJNSIEPFATSM-LJQANCHMSA-N 1 1 418.324 3.443 50 0 HGAAMO O=C(CN1CCC[N@@H+](Cc2ccccc2)CC1)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000023354728 559173117 /nfs/dbraw/zinc/17/31/17/559173117.db2.gz VWKGCFZLJHXHLR-UHFFFAOYSA-N 1 1 403.429 3.155 50 0 HGAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)CSc1cc(=O)n(C)c2ccccc12 ZINC000005007922 559226869 /nfs/dbraw/zinc/22/68/69/559226869.db2.gz XZVMUXWJQACUDK-KRWDZBQOSA-N 1 1 401.576 3.401 50 0 HGAAMO CCOc1ccccc1/C=C/C(=O)NCC(=O)N1CCC([N@@H+](C)C2CCCC2)CC1 ZINC000005057802 559238120 /nfs/dbraw/zinc/23/81/20/559238120.db2.gz FVNRFWUGINSHOO-OUKQBFOZSA-N 1 1 413.562 3.080 50 0 HGAAMO CCCCCCN1[NH+]=C(C)Cn2c1nc1c2c(=O)n(CCCCCC)c(=O)n1C ZINC000005148167 559253040 /nfs/dbraw/zinc/25/30/40/559253040.db2.gz DOQQCHWSVLFUBX-UHFFFAOYSA-N 1 1 402.543 3.253 50 0 HGAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2cccn2-c2cccnc2)CC1 ZINC000011821046 559260432 /nfs/dbraw/zinc/26/04/32/559260432.db2.gz DBVRIODBEAILPM-JOCHJYFZSA-N 1 1 423.605 3.465 50 0 HGAAMO CCOc1ccc(S(=O)(=O)NC[C@H](c2cccn2C)[NH+]2CCCCCC2)cc1 ZINC000011897755 559265476 /nfs/dbraw/zinc/26/54/76/559265476.db2.gz DMBZFIOOCHAEQT-OAQYLSRUSA-N 1 1 405.564 3.319 50 0 HGAAMO O[C@H](Cn1c2ccccc2c2ccccc21)C[N@H+]1CCCN(c2ncccn2)CC1 ZINC000061721957 560538021 /nfs/dbraw/zinc/53/80/21/560538021.db2.gz JNAKPEFQAFTWNI-IBGZPJMESA-N 1 1 401.514 3.158 50 0 HGAAMO CCOC(=O)c1sc2nc3c(cc2c1NC(=O)C[NH2+]Cc1cccnc1)CCC3 ZINC000061966202 560563681 /nfs/dbraw/zinc/56/36/81/560563681.db2.gz LZDOLGSWLZFBMJ-UHFFFAOYSA-N 1 1 410.499 3.085 50 0 HGAAMO CCOc1ccc(C(F)(F)F)cc1NC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](CC)C1 ZINC000107514320 560896435 /nfs/dbraw/zinc/89/64/35/560896435.db2.gz KXPVXTLLUPVLAV-DZGCQCFKSA-N 1 1 403.445 3.413 50 0 HGAAMO C[N@H+]1CCCN(c2ccc(NC(=O)NCCCOCc3ccco3)cc2F)CC1 ZINC000045157814 568418491 /nfs/dbraw/zinc/41/84/91/568418491.db2.gz HDAGWGOQBQWVSN-UHFFFAOYSA-N 1 1 404.486 3.289 50 0 HGAAMO Cc1ccc2nc(C)c(C(=O)NCc3ccc(N4CCC[N@H+](C)CC4)nc3)cc2c1 ZINC000048286501 568436104 /nfs/dbraw/zinc/43/61/04/568436104.db2.gz MLVLNXQZZXKODV-UHFFFAOYSA-N 1 1 403.530 3.319 50 0 HGAAMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@H]1CC(=O)N(c2cccc(C)c2C)C1 ZINC000048354997 568441375 /nfs/dbraw/zinc/44/13/75/568441375.db2.gz ZLUAIEKKKZPBCU-FQEVSTJZSA-N 1 1 402.498 3.467 50 0 HGAAMO COC(=O)c1cc(NC(=O)c2cccc(C(F)(F)F)c2)c(=O)oc1/C=C/[NH+](C)C ZINC000049581135 568452821 /nfs/dbraw/zinc/45/28/21/568452821.db2.gz GWEQNQAFRFEXPS-BQYQJAHWSA-N 1 1 410.348 3.230 50 0 HGAAMO C[C@@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1CC=C(c2ccccc2)CC1 ZINC000014920481 568455518 /nfs/dbraw/zinc/45/55/18/568455518.db2.gz QTINJAIYWKBGCX-INIZCTEOSA-N 1 1 407.470 3.284 50 0 HGAAMO C[C@@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000014920481 568455521 /nfs/dbraw/zinc/45/55/21/568455521.db2.gz QTINJAIYWKBGCX-INIZCTEOSA-N 1 1 407.470 3.284 50 0 HGAAMO CCn1nc(C)c(CNCc2cccc(OC[C@@H](O)C[NH+]3CCCCCC3)c2)c1C ZINC000012301140 568464421 /nfs/dbraw/zinc/46/44/21/568464421.db2.gz DSXBGPRNDYGWJV-QFIPXVFZSA-N 1 1 414.594 3.425 50 0 HGAAMO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH+]4CCN(C(=O)c5ccco5)CC4)[C@H]3C=C12 ZINC000020112918 568589089 /nfs/dbraw/zinc/58/90/89/568589089.db2.gz MQSZZIBOTGMDJA-OLCZWSHVSA-N 1 1 412.530 3.352 50 0 biogenic HGAAMO COc1c2c(cc3c1[C@H](CC(=O)CCc1ccc4c(c1)OCO4)[N@H+](C)CC3)OCO2 ZINC000020113172 568589305 /nfs/dbraw/zinc/58/93/05/568589305.db2.gz NFMATBVNUCRACD-KRWDZBQOSA-N 1 1 411.454 3.274 50 0 biogenic HGAAMO COc1c2c(cc3c1[C@H](CC(=O)CCc1ccc4c(c1)OCO4)[N@@H+](C)CC3)OCO2 ZINC000020113172 568589306 /nfs/dbraw/zinc/58/93/06/568589306.db2.gz NFMATBVNUCRACD-KRWDZBQOSA-N 1 1 411.454 3.274 50 0 biogenic HGAAMO CC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]3CCC[N@H+]3[C@]23c2ccccc2N(C)C3=O)cc1 ZINC000020513541 568622144 /nfs/dbraw/zinc/62/21/44/568622144.db2.gz DRDWZWPEMFPULX-VAXXYWNWSA-N 1 1 403.482 3.184 50 0 HGAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc(/C=C2/Sc3ccccc3NC2=O)cc1 ZINC000020728775 568640545 /nfs/dbraw/zinc/64/05/45/568640545.db2.gz UXSRPQFTQFEDQW-LTGZKZEYSA-N 1 1 423.538 3.224 50 0 HGAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)C1CCN(C(=O)c2cc3sccc3n2C)CC1 ZINC000020862005 568645990 /nfs/dbraw/zinc/64/59/90/568645990.db2.gz HBNXSEOYYXNMRF-MRXNPFEDSA-N 1 1 416.591 3.083 50 0 HGAAMO O=C(CC[C@H]1CCCN(C(=O)C2=CCCC2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020996533 568656960 /nfs/dbraw/zinc/65/69/60/568656960.db2.gz BFRVXVIRBJUUNF-JOCHJYFZSA-N 1 1 409.574 3.460 50 0 HGAAMO Cn1cccc1[C@H](CNC(=O)c1ccc2c(c1)OCO2)[N@@H+]1CCc2ccccc2C1 ZINC000021151836 568672541 /nfs/dbraw/zinc/67/25/41/568672541.db2.gz BQICQMWZWGDDQU-NRFANRHFSA-N 1 1 403.482 3.283 50 0 HGAAMO Cn1cccc1[C@H](CNC(=O)c1ccc2c(c1)OCO2)[N@H+]1CCc2ccccc2C1 ZINC000021151836 568672544 /nfs/dbraw/zinc/67/25/44/568672544.db2.gz BQICQMWZWGDDQU-NRFANRHFSA-N 1 1 403.482 3.283 50 0 HGAAMO Cc1ccccc1[C@@H]1CC[N@@H+](CCNC(=O)c2cn(CCc3ccccc3)nn2)C1 ZINC000012385351 568672849 /nfs/dbraw/zinc/67/28/49/568672849.db2.gz IKJGTXNGDNHISC-OAQYLSRUSA-N 1 1 403.530 3.049 50 0 HGAAMO CN1C(=O)CC[C@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@@H]1c1ccc(F)cc1 ZINC000096182569 568702646 /nfs/dbraw/zinc/70/26/46/568702646.db2.gz JVEWLUBLUCCFAF-GMAHTHKFSA-N 1 1 409.505 3.080 50 0 HGAAMO C[C@H](C(=O)NCc1ccccc1)[NH+]1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000024991559 568711912 /nfs/dbraw/zinc/71/19/12/568711912.db2.gz HXWIFXQNUXACAT-QGZVFWFLSA-N 1 1 408.498 3.057 50 0 HGAAMO O=C([C@H]1CC(=O)Nc2ccccc21)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000055426996 568775011 /nfs/dbraw/zinc/77/50/11/568775011.db2.gz AVIAPODHKXHWHP-FQEVSTJZSA-N 1 1 400.482 3.005 50 0 HGAAMO O=C(C[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1)NCc1ccccc1F ZINC000029192016 568822393 /nfs/dbraw/zinc/82/23/93/568822393.db2.gz WQTOHBINXVZLJI-UHFFFAOYSA-N 1 1 410.415 3.068 50 0 HGAAMO O=C(C[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1)NCc1ccccc1F ZINC000029192016 568822394 /nfs/dbraw/zinc/82/23/94/568822394.db2.gz WQTOHBINXVZLJI-UHFFFAOYSA-N 1 1 410.415 3.068 50 0 HGAAMO O=C(COc1ccc(Cl)cc1Cl)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000056997143 568822466 /nfs/dbraw/zinc/82/24/66/568822466.db2.gz QYXLZMQYLBXEPX-UHFFFAOYSA-N 1 1 408.329 3.311 50 0 HGAAMO COc1ccccc1N1CCN(CC(=O)Nc2c3c([nH+]c4c2CCCC4)CCC3)CC1 ZINC000057297190 568826246 /nfs/dbraw/zinc/82/62/46/568826246.db2.gz VETJFZJHMKNJBC-UHFFFAOYSA-N 1 1 420.557 3.218 50 0 HGAAMO C[NH+](C)Cc1nc2ccccc2c(SCC(=O)Nc2ccc3c(c2)OCCO3)n1 ZINC000031619040 568836965 /nfs/dbraw/zinc/83/69/65/568836965.db2.gz GHBPFJXAPWNMDB-UHFFFAOYSA-N 1 1 410.499 3.193 50 0 HGAAMO O=C(Cn1c2ccccc2nc1C(F)(F)F)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000012531432 568844382 /nfs/dbraw/zinc/84/43/82/568844382.db2.gz PREVSHGGIIOHGF-UHFFFAOYSA-N 1 1 424.467 3.206 50 0 HGAAMO O=C([C@H]1CC(=O)N(Cc2ccccc2Cl)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012567890 568860512 /nfs/dbraw/zinc/86/05/12/568860512.db2.gz ARXBJKFMDMVUSN-FQEVSTJZSA-N 1 1 411.933 3.033 50 0 HGAAMO CCOC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]3CCC[N@H+]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000057992087 568873195 /nfs/dbraw/zinc/87/31/95/568873195.db2.gz RKQZVYFIUMOCFC-VUMVONDWSA-N 1 1 419.481 3.134 50 0 biogenic HGAAMO O=C(CC[C@H]1C[N@@H+](Cc2ccccc2Cl)CC[C@H]1N1CCOCC1)N1CCCC1 ZINC000299786502 568875668 /nfs/dbraw/zinc/87/56/68/568875668.db2.gz MJDPSLIYVOFAIY-RBBKRZOGSA-N 1 1 419.997 3.265 50 0 HGAAMO O=C(CC[C@H]1CN(Cc2ccccc2Cl)CC[C@H]1[NH+]1CCOCC1)N1CCCC1 ZINC000299786502 568875669 /nfs/dbraw/zinc/87/56/69/568875669.db2.gz MJDPSLIYVOFAIY-RBBKRZOGSA-N 1 1 419.997 3.265 50 0 HGAAMO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)Nc1ccccc1Br ZINC000058021530 568878068 /nfs/dbraw/zinc/87/80/68/568878068.db2.gz ISCJRBRHBUKVPC-UHFFFAOYSA-N 1 1 403.324 3.393 50 0 HGAAMO COc1cc(C[NH2+]C[C@@H](CN(C)C)[C@H](O)c2ccccc2)cc(OC)c1OC(F)F ZINC000058050991 568881127 /nfs/dbraw/zinc/88/11/27/568881127.db2.gz NFTJQPXUGMNBKM-FXAWDEMLSA-N 1 1 424.488 3.306 50 0 HGAAMO [NH2+]=C1Nc2nc3cc4c(cc3n2[C@@H](c2ccccc2Br)N1)OCCCO4 ZINC000012630191 568883086 /nfs/dbraw/zinc/88/30/86/568883086.db2.gz UYYNFVPCLAVIQY-INIZCTEOSA-N 1 1 414.263 3.056 50 0 HGAAMO COCCn1ccc2c1cccc2OCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000263587839 568883395 /nfs/dbraw/zinc/88/33/95/568883395.db2.gz LWJKNBXFJHEKKL-UHFFFAOYSA-N 1 1 407.514 3.011 50 0 HGAAMO O=S(=O)(N[C@@H]1CCCC[C@@H]1[NH+]1CCN(c2ccccc2F)CC1)c1ccccc1 ZINC000058085810 568884049 /nfs/dbraw/zinc/88/40/49/568884049.db2.gz DOPYBUKPRYMXNB-IRLDBZIGSA-N 1 1 417.550 3.237 50 0 HGAAMO CC[NH+]1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)CC1 ZINC000058148790 568892215 /nfs/dbraw/zinc/89/22/15/568892215.db2.gz LBGFNEYBZICZEX-UHFFFAOYSA-N 1 1 420.513 3.334 50 0 HGAAMO C[NH+](C)[C@H](CNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccs1)c1ccco1 ZINC000003417347 568899295 /nfs/dbraw/zinc/89/92/95/568899295.db2.gz IWNJTXQTRJDTOB-QZTJIDSGSA-N 1 1 411.527 3.101 50 0 HGAAMO O=C(NCC[N@H+]1CCc2ccccc2C1)c1cccc(I)c1 ZINC000031338018 568924425 /nfs/dbraw/zinc/92/44/25/568924425.db2.gz TXOAKQBCGRLXDC-UHFFFAOYSA-N 1 1 406.267 3.079 50 0 HGAAMO Cc1c(C(=O)NCCC[NH+]2CCOCC2)sc2nc(-c3ccco3)nc(C)c12 ZINC000012738922 568926432 /nfs/dbraw/zinc/92/64/32/568926432.db2.gz QCMZXLKEPSEISI-UHFFFAOYSA-N 1 1 400.504 3.020 50 0 HGAAMO C[C@@H](C(=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1)N1CC[NH+](C)CC1 ZINC000084037366 568933299 /nfs/dbraw/zinc/93/32/99/568933299.db2.gz WBZIJVNIWMSGIN-INIZCTEOSA-N 1 1 403.473 3.453 50 0 HGAAMO COc1cc(Br)c(OC)c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000012762256 568946509 /nfs/dbraw/zinc/94/65/09/568946509.db2.gz UHQVPVSYGVDKOS-OAHLLOKOSA-N 1 1 419.319 3.471 50 0 HGAAMO O=C(c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000004199800 568951361 /nfs/dbraw/zinc/95/13/61/568951361.db2.gz DKBNJAUUKBWPGF-OAHLLOKOSA-N 1 1 415.419 3.335 50 0 HGAAMO CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000012774031 568953176 /nfs/dbraw/zinc/95/31/76/568953176.db2.gz NSTCKFKJQWQKPD-RBBKRZOGSA-N 1 1 415.965 3.442 50 0 HGAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(CN2c3ccnn3CCC2=O)cc1 ZINC000015724275 568977672 /nfs/dbraw/zinc/97/76/72/568977672.db2.gz VPVMXVAORFYWFP-OAQYLSRUSA-N 1 1 423.561 3.204 50 0 HGAAMO CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000008424948 569001987 /nfs/dbraw/zinc/00/19/87/569001987.db2.gz VJUALCDTAIBMKL-DLBZAZTESA-N 1 1 404.580 3.319 50 0 HGAAMO CC1=C2C[C@H]3[C@@H](C[NH+]4CCN(C(=O)c5ccco5)CC4)C(=O)O[C@H]3C[C@@]2(C)CCC1 ZINC000016040327 569028165 /nfs/dbraw/zinc/02/81/65/569028165.db2.gz UFAAOAUAAMIQQW-OPNQQPSUSA-N 1 1 412.530 3.496 50 0 HGAAMO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc2c(c1)CCO2)c1csc2ccccc21 ZINC000575618635 569038088 /nfs/dbraw/zinc/03/80/88/569038088.db2.gz AJSMVFBKVHEWBC-GOSISDBHSA-N 1 1 402.541 3.417 50 0 HGAAMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc2c(c1)OCCO2)c1csc2ccccc21 ZINC000575621744 569039023 /nfs/dbraw/zinc/03/90/23/569039023.db2.gz SKIXOLHXJKPGJV-KRWDZBQOSA-N 1 1 418.540 3.254 50 0 HGAAMO C[C@H](c1ccccc1)[N@H+]1CC[C@@](F)(COC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)C1 ZINC000225397524 569039870 /nfs/dbraw/zinc/03/98/70/569039870.db2.gz XLTWXKWDRSVIMP-MONBJTKQSA-N 1 1 402.510 3.353 50 0 HGAAMO Cc1[nH+]ccn1C[C@@H](C)C(=O)NCc1nc2cccnc2n1Cc1ccc(C)cc1 ZINC000035510794 569042965 /nfs/dbraw/zinc/04/29/65/569042965.db2.gz YZPYCKQPFHTCPX-QGZVFWFLSA-N 1 1 402.502 3.245 50 0 HGAAMO C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000241897215 569054943 /nfs/dbraw/zinc/05/49/43/569054943.db2.gz TWPBGMPCHBCGCB-KXBFYZLASA-N 1 1 409.486 3.111 50 0 HGAAMO C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000241897215 569054944 /nfs/dbraw/zinc/05/49/44/569054944.db2.gz TWPBGMPCHBCGCB-KXBFYZLASA-N 1 1 409.486 3.111 50 0 HGAAMO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000245313102 569055837 /nfs/dbraw/zinc/05/58/37/569055837.db2.gz ZZFPRVRWYARAIA-IZZGNVEXSA-N 1 1 415.493 3.043 50 0 HGAAMO COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000036171282 569104197 /nfs/dbraw/zinc/10/41/97/569104197.db2.gz GMKVKMBPFCDJKQ-UHFFFAOYSA-N 1 1 419.547 3.298 50 0 HGAAMO O=c1oc2c(cc(Cl)c3c2CN(CCC[NH+]2CCOCC2)CO3)c2c1CCCC2 ZINC000006755908 569112258 /nfs/dbraw/zinc/11/22/58/569112258.db2.gz ZJVUYTZNVLMYNC-UHFFFAOYSA-N 1 1 418.921 3.199 50 0 HGAAMO C[NH+]1CCN(CC(=O)N[C@@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 ZINC000019368243 569124460 /nfs/dbraw/zinc/12/44/60/569124460.db2.gz ABOLJFNFNCZTAI-GOSISDBHSA-N 1 1 401.963 3.452 50 0 HGAAMO Cc1c(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)sc2nc3n(c(=O)c12)CCCC3 ZINC000006841215 569151838 /nfs/dbraw/zinc/15/18/38/569151838.db2.gz WYLZUJWSIQMIJV-AWEZNQCLSA-N 1 1 402.564 3.097 50 0 HGAAMO Cc1c(C(=O)NCC[N@H+](C)C2CCCCC2)sc2nc3n(c(=O)c12)CCCC3 ZINC000006841184 569151876 /nfs/dbraw/zinc/15/18/76/569151876.db2.gz IUOUPSPBJAROKH-UHFFFAOYSA-N 1 1 402.564 3.097 50 0 HGAAMO C[C@@H]1CN(Cc2ccc(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc2)C[C@@H](C)O1 ZINC000036395393 569168764 /nfs/dbraw/zinc/16/87/64/569168764.db2.gz YFRVCXMULMTCAR-YOSAUDMPSA-N 1 1 407.558 3.300 50 0 HGAAMO CCCn1c2ccccc2c2cnn(CC(=O)NCC[N@@H+](C)C3CCCCC3)c(=O)c21 ZINC000006900129 569176226 /nfs/dbraw/zinc/17/62/26/569176226.db2.gz HVUOVCBTAMZXMM-UHFFFAOYSA-N 1 1 423.561 3.142 50 0 HGAAMO O=C(Cc1ccccc1Cl)N1CCN(c2nc(C[NH+]3CCCC3)cs2)CC1 ZINC000065200027 569193714 /nfs/dbraw/zinc/19/37/14/569193714.db2.gz DORGEKPSOGKOSR-UHFFFAOYSA-N 1 1 404.967 3.284 50 0 HGAAMO Cc1ccc(NC(=O)N2CCc3c2cccc3C(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000065210068 569196580 /nfs/dbraw/zinc/19/65/80/569196580.db2.gz IXSWRUNLGZMWNI-UHFFFAOYSA-N 1 1 422.529 3.042 50 0 HGAAMO CC(C)[C@@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000036569662 569200914 /nfs/dbraw/zinc/20/09/14/569200914.db2.gz YSYXTVVVSQVOCF-HSZRJFAPSA-N 1 1 418.541 3.267 50 0 HGAAMO COc1ccc(-c2nccn3cc(C(=O)NCC[N@@H+](C)C4CCCCC4)nc23)cc1 ZINC000065274462 569215035 /nfs/dbraw/zinc/21/50/35/569215035.db2.gz UTEXBEZGWGAACQ-UHFFFAOYSA-N 1 1 407.518 3.399 50 0 HGAAMO O=C(C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)Nc1ccc(N2CCCC2=O)cc1 ZINC000007362415 569235405 /nfs/dbraw/zinc/23/54/05/569235405.db2.gz NYXVCTCYKUHTJS-FQEVSTJZSA-N 1 1 421.497 3.360 50 0 HGAAMO O=C(C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)Nc1ccc(N2CCCC2=O)cc1 ZINC000007362415 569235407 /nfs/dbraw/zinc/23/54/07/569235407.db2.gz NYXVCTCYKUHTJS-FQEVSTJZSA-N 1 1 421.497 3.360 50 0 HGAAMO CCc1cc(=O)oc2cc(C)cc(OCC(=O)NC[C@H]3CCC[N@H+]4CCCC[C@@H]34)c12 ZINC000170613412 569246906 /nfs/dbraw/zinc/24/69/06/569246906.db2.gz ZGEOFWSOSHNWQY-MOPGFXCFSA-N 1 1 412.530 3.423 50 0 HGAAMO CCN(CC)c1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+](C)C1CCCCCCC1 ZINC000170616836 569247571 /nfs/dbraw/zinc/24/75/71/569247571.db2.gz APEUGZZJFOHRHD-UHFFFAOYSA-N 1 1 424.611 3.163 50 0 HGAAMO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](C[C@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000002147870 569289740 /nfs/dbraw/zinc/28/97/40/569289740.db2.gz GLQDHYZYYYRCEH-ZCNNSNEGSA-N 1 1 413.521 3.436 50 0 biogenic HGAAMO COc1ccc(C[N@H+](C)CC(=O)N(C)c2ccccc2C(=O)NCc2ccco2)cc1 ZINC000007682640 569300429 /nfs/dbraw/zinc/30/04/29/569300429.db2.gz ZNTSBNNGAPRJIH-UHFFFAOYSA-N 1 1 421.497 3.313 50 0 HGAAMO COc1ccc(C[N@@H+](C)CC(=O)N(C)c2ccccc2C(=O)NCc2ccco2)cc1 ZINC000007682640 569300430 /nfs/dbraw/zinc/30/04/30/569300430.db2.gz ZNTSBNNGAPRJIH-UHFFFAOYSA-N 1 1 421.497 3.313 50 0 HGAAMO C[C@@H]([NH2+]CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccco1 ZINC000007802978 569311749 /nfs/dbraw/zinc/31/17/49/569311749.db2.gz OFHDIOZWNBMXMP-MRXNPFEDSA-N 1 1 405.520 3.134 50 0 HGAAMO COc1cc2c(cc1OC)-c1n[nH]c(C(=O)N(C)C[C@@H]3CCC[N@H+]4CCCC[C@H]34)c1C2 ZINC000253414277 569367000 /nfs/dbraw/zinc/36/70/00/569367000.db2.gz WYONCSJRVNDSTA-HNAYVOBHSA-N 1 1 424.545 3.335 50 0 biogenic HGAAMO COc1cc2c(cc1OC)-c1[nH]nc(C(=O)N(C)C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)c1C2 ZINC000253414277 569367002 /nfs/dbraw/zinc/36/70/02/569367002.db2.gz WYONCSJRVNDSTA-HNAYVOBHSA-N 1 1 424.545 3.335 50 0 biogenic HGAAMO COc1cc2c(cc1OC)-c1[nH]nc(C(=O)N(C)C[C@@H]3CCC[N@H+]4CCCC[C@H]34)c1C2 ZINC000253414277 569367004 /nfs/dbraw/zinc/36/70/04/569367004.db2.gz WYONCSJRVNDSTA-HNAYVOBHSA-N 1 1 424.545 3.335 50 0 biogenic HGAAMO CCCCNC(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1cc(OC)ccc1OC ZINC000002417378 569397394 /nfs/dbraw/zinc/39/73/94/569397394.db2.gz QUMWUHGCJYLWBL-AJSBUHFISA-N 1 1 404.551 3.288 50 0 HGAAMO CCCCNC(=O)C[N@H+]1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1cc(OC)ccc1OC ZINC000002417378 569397395 /nfs/dbraw/zinc/39/73/95/569397395.db2.gz QUMWUHGCJYLWBL-AJSBUHFISA-N 1 1 404.551 3.288 50 0 HGAAMO Cc1c(OCC(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)ccc2c3c(c(=O)oc12)CCC3 ZINC000079188610 569429025 /nfs/dbraw/zinc/42/90/25/569429025.db2.gz RFHACVUULFDMKG-LAUBAEHRSA-N 1 1 424.541 3.350 50 0 biogenic HGAAMO COc1cc2oc(=O)cc(C)c2cc1CCC(=O)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000079190738 569429362 /nfs/dbraw/zinc/42/93/62/569429362.db2.gz HCJKJACDWSCUHZ-AZUAARDMSA-N 1 1 412.530 3.423 50 0 biogenic HGAAMO Nc1ncc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)c(-c2ccccc2)n1 ZINC000670473756 571102588 /nfs/dbraw/zinc/10/25/88/571102588.db2.gz ZTYILJLUTIMCEZ-GOSISDBHSA-N 1 1 405.477 3.259 50 0 HGAAMO Nc1ncc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)c(-c2ccccc2)n1 ZINC000670473756 571102590 /nfs/dbraw/zinc/10/25/90/571102590.db2.gz ZTYILJLUTIMCEZ-GOSISDBHSA-N 1 1 405.477 3.259 50 0 HGAAMO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccsc1 ZINC000008863670 571129108 /nfs/dbraw/zinc/12/91/08/571129108.db2.gz BCCFFJCXRXMGPK-AWEZNQCLSA-N 1 1 401.410 3.004 50 0 HGAAMO C[C@@H]1Cc2ccccc2N1C(=O)C[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000008883481 571140804 /nfs/dbraw/zinc/14/08/04/571140804.db2.gz HCZAZCFYGFUGKN-MRXNPFEDSA-N 1 1 421.497 3.044 50 0 HGAAMO COc1ccc([C@H]2CCCCC[N@H+]2C[C@H](O)CN2C(=O)c3ccccc3C2=O)cc1 ZINC000040051359 571145315 /nfs/dbraw/zinc/14/53/15/571145315.db2.gz DHLQMQQQQLGETD-PGRDOPGGSA-N 1 1 408.498 3.269 50 0 HGAAMO O=C(Cc1cccc2cccnc21)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000040087048 571157573 /nfs/dbraw/zinc/15/75/73/571157573.db2.gz GVPPRIGROHLRCI-UHFFFAOYSA-N 1 1 402.542 3.101 50 0 HGAAMO C[NH+]1CCN(C(=O)c2ccc(CNC(=O)c3ccc4c5c(cccc53)CC4)cc2)CC1 ZINC000040111508 571169430 /nfs/dbraw/zinc/16/94/30/571169430.db2.gz VEDBLKDFKWTFAL-UHFFFAOYSA-N 1 1 413.521 3.256 50 0 HGAAMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)CCN2C(=O)c3ccccc3C2=O)C1 ZINC000040112266 571170500 /nfs/dbraw/zinc/17/05/00/571170500.db2.gz NPJPNSXYESBKAI-SFHVURJKSA-N 1 1 419.525 3.221 50 0 HGAAMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)C1 ZINC000040112274 571170616 /nfs/dbraw/zinc/17/06/16/571170616.db2.gz GRFSGJWVEWJYIT-MRXNPFEDSA-N 1 1 405.498 3.074 50 0 HGAAMO O=C(CCc1cnn(-c2ccccc2)c1)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000040157055 571203726 /nfs/dbraw/zinc/20/37/26/571203726.db2.gz UUAWTZGRRKLGMH-UHFFFAOYSA-N 1 1 404.514 3.318 50 0 HGAAMO CCOC(=O)C1=C(C[N@@H+](C)[C@H]2CCCc3ccccc32)NC(=O)N[C@H]1c1ccco1 ZINC000245237334 571219340 /nfs/dbraw/zinc/21/93/40/571219340.db2.gz JVIBEVQYMAWWOF-RXVVDRJESA-N 1 1 409.486 3.460 50 0 HGAAMO Cc1c(C(=O)N2CCCC2)nnn1-c1cccc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000069893853 571248580 /nfs/dbraw/zinc/24/85/80/571248580.db2.gz DNNUAARRLKGXES-UHFFFAOYSA-N 1 1 401.514 3.370 50 0 HGAAMO Cc1cc(NC(=O)C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)n(-c2ccccc2)n1 ZINC000009643489 571275988 /nfs/dbraw/zinc/27/59/88/571275988.db2.gz NLDVQMVXHAILGZ-UHFFFAOYSA-N 1 1 417.513 3.470 50 0 HGAAMO O=C(Nc1ccc2c(c1)OCO2)N1CC[NH+](CCn2ccnc2-c2ccccc2)CC1 ZINC000077159777 571311826 /nfs/dbraw/zinc/31/18/26/571311826.db2.gz JFHDPFDOEBDZOU-UHFFFAOYSA-N 1 1 419.485 3.129 50 0 HGAAMO FC(F)(F)c1ccc(N2CC[NH+](C[C@@H]3CN(Cc4ccccc4)CCO3)CC2)nc1 ZINC000004324556 132275412 /nfs/dbraw/zinc/27/54/12/132275412.db2.gz NXPVHLBNNYVZNP-HXUWFJFHSA-N 1 1 420.479 3.123 50 0 HGAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)CCC(=O)N2C[C@H](C)Oc3ccccc32)C1 ZINC000006798327 132317262 /nfs/dbraw/zinc/31/72/62/132317262.db2.gz RKRQHGNWAYNPFJ-OTWHNJEPSA-N 1 1 401.551 3.065 50 0 HGAAMO C[N@H+](CC(=O)Nc1ccccc1N1CCCC1)Cc1ccccc1N1CCOCC1 ZINC000008133177 132327742 /nfs/dbraw/zinc/32/77/42/132327742.db2.gz OKIHTIAOYZPHFG-UHFFFAOYSA-N 1 1 408.546 3.194 50 0 HGAAMO C[N@@H+](CC(=O)Nc1ccccc1N1CCCC1)Cc1ccccc1N1CCOCC1 ZINC000008133177 132327744 /nfs/dbraw/zinc/32/77/44/132327744.db2.gz OKIHTIAOYZPHFG-UHFFFAOYSA-N 1 1 408.546 3.194 50 0 HGAAMO CN1c2cc(C(=O)NCCC[N@@H+](C)Cc3ccccc3)ccc2N2CCCC[C@@H]2C1=O ZINC000009528819 132340626 /nfs/dbraw/zinc/34/06/26/132340626.db2.gz RBUMMOVOJSWFBL-JOCHJYFZSA-N 1 1 420.557 3.274 50 0 HGAAMO CCOc1ccc(C(=O)N2CC[NH+](CCn3ccnc3-c3ccccc3)CC2)cc1 ZINC000077158846 520898216 /nfs/dbraw/zinc/89/82/16/520898216.db2.gz XPIBTTTYWYJEFK-UHFFFAOYSA-N 1 1 404.514 3.407 50 0 HGAAMO CCOC(=O)N1CCN([C@@H]2CCC[N@@H+](CC3=Cc4cc(Cl)ccc4OC3)C2)CC1 ZINC000020540299 520959886 /nfs/dbraw/zinc/95/98/86/520959886.db2.gz WITDILJSJTVVLI-HXUWFJFHSA-N 1 1 419.953 3.354 50 0 HGAAMO CCOc1ccccc1C[N@@H+]1CCN(Cc2cc(OC)ccc2OC)C[C@@H]1CCO ZINC000020599329 521485092 /nfs/dbraw/zinc/48/50/92/521485092.db2.gz LRFMMEMNOXFXTJ-NRFANRHFSA-N 1 1 414.546 3.171 50 0 HGAAMO CCOc1ccccc1C[N@H+]1CCN(Cc2cc(OC)ccc2OC)C[C@@H]1CCO ZINC000020599329 521485099 /nfs/dbraw/zinc/48/50/99/521485099.db2.gz LRFMMEMNOXFXTJ-NRFANRHFSA-N 1 1 414.546 3.171 50 0 HGAAMO CC[NH+]1CCN(C(=O)c2csc(NC(=O)c3cccc(C(F)(F)F)c3)n2)CC1 ZINC000040355559 521671154 /nfs/dbraw/zinc/67/11/54/521671154.db2.gz DBAUDGXXVQUSCV-UHFFFAOYSA-N 1 1 412.437 3.192 50 0 HGAAMO COC(=O)[C@@H](NC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)C(C)C ZINC000020567719 523611863 /nfs/dbraw/zinc/61/18/63/523611863.db2.gz ODDKGUJGESCGJL-NRFANRHFSA-N 1 1 409.530 3.301 50 0 HGAAMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)CCNC(=O)Cc3ccccc3)cc2)C1 ZINC000032930081 524096460 /nfs/dbraw/zinc/09/64/60/524096460.db2.gz WNMMZDNOMBXDHQ-FQEVSTJZSA-N 1 1 407.558 3.284 50 0 HGAAMO COc1ccc(CNCc2cccnc2)c(OC[C@@H](O)C[NH+]2CCCCCCC2)c1 ZINC000011668219 558269988 /nfs/dbraw/zinc/26/99/88/558269988.db2.gz RRAGABYPVLWZMH-QFIPXVFZSA-N 1 1 413.562 3.386 50 0 HGAAMO COc1cccc(C[N@@H+]2CCN(Cc3nc4c(s3)CCCC4)C[C@@H]2CCO)c1 ZINC000019774491 558280877 /nfs/dbraw/zinc/28/08/77/558280877.db2.gz WLFQCGLWZRPYAQ-SFHVURJKSA-N 1 1 401.576 3.099 50 0 HGAAMO COc1cccc(C[N@H+]2CCN(Cc3nc4c(s3)CCCC4)C[C@@H]2CCO)c1 ZINC000019774491 558280879 /nfs/dbraw/zinc/28/08/79/558280879.db2.gz WLFQCGLWZRPYAQ-SFHVURJKSA-N 1 1 401.576 3.099 50 0 HGAAMO COc1ccccc1CC[N@H+]1CCC[C@H](CN(C)Cc2ccccc2OCCO)C1 ZINC000011817857 558281264 /nfs/dbraw/zinc/28/12/64/558281264.db2.gz QQABBQIJPJJSTC-OAQYLSRUSA-N 1 1 412.574 3.453 50 0 HGAAMO CCn1ccnc1C[N@H+]1CC[C@]2(C1)CCCN(Cc1cc(OC)ccc1F)C2=O ZINC000011818939 558282060 /nfs/dbraw/zinc/28/20/60/558282060.db2.gz HAZXGSRKGXRAOD-QFIPXVFZSA-N 1 1 400.498 3.065 50 0 HGAAMO CCOC(=O)[C@@]1(CCOC)CCC[N@@H+](Cc2c[nH]nc2-c2ccc(OC)cc2)C1 ZINC000011820122 558283291 /nfs/dbraw/zinc/28/32/91/558283291.db2.gz RDKCCYUWUVEIKL-JOCHJYFZSA-N 1 1 401.507 3.267 50 0 HGAAMO O=C(NCc1ccccc1Cl)[C@H]1CCC[N@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000011839760 558286162 /nfs/dbraw/zinc/28/61/62/558286162.db2.gz HFYFBFGQHYHYFV-SFHVURJKSA-N 1 1 403.954 3.069 50 0 HGAAMO COc1ccc(C[N@@H+]2CCc3nnc([C@H](NC(=O)c4ccoc4)C(C)C)n3CC2)cc1 ZINC000011881448 558295271 /nfs/dbraw/zinc/29/52/71/558295271.db2.gz BAULIWOJTBKPNW-OAQYLSRUSA-N 1 1 423.517 3.065 50 0 HGAAMO O=C(Nc1ccccc1C(=O)NCCC[NH+]1CCOCC1)c1cc2ccccc2o1 ZINC000019897329 558303780 /nfs/dbraw/zinc/30/37/80/558303780.db2.gz YDRRPUASJCAAHF-UHFFFAOYSA-N 1 1 407.470 3.137 50 0 HGAAMO Cc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)cc1N1CCNC1=O ZINC000012050358 558313824 /nfs/dbraw/zinc/31/38/24/558313824.db2.gz VCBRDUDKKNSQMY-JOCHJYFZSA-N 1 1 420.557 3.304 50 0 HGAAMO CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CCN(Cc2cc(OC)ccc2F)CC1 ZINC000012055655 558315965 /nfs/dbraw/zinc/31/59/65/558315965.db2.gz XRHYENVHHQSJBD-FQEVSTJZSA-N 1 1 405.558 3.427 50 0 HGAAMO CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CCN(Cc2cc(OC)ccc2F)CC1 ZINC000012055655 558315966 /nfs/dbraw/zinc/31/59/66/558315966.db2.gz XRHYENVHHQSJBD-FQEVSTJZSA-N 1 1 405.558 3.427 50 0 HGAAMO COc1ccc2c(C)cc(NCc3cccnc3N3CCN(C(C)=O)CC3)[nH+]c2c1 ZINC000012210238 558353774 /nfs/dbraw/zinc/35/37/74/558353774.db2.gz VCUJKXPWQDJJMG-UHFFFAOYSA-N 1 1 405.502 3.227 50 0 HGAAMO Cc1ccc(C[N@@H+]2CCc3nnc(CNC(=O)c4cccc(F)c4)n3CC2)c(C)c1 ZINC000020781146 558412741 /nfs/dbraw/zinc/41/27/41/558412741.db2.gz NLFUIPXCIHJCQI-UHFFFAOYSA-N 1 1 407.493 3.022 50 0 HGAAMO Cc1c2cccc(Cl)c2[nH]c1CN1CC[N@@H+](C2CCN(C)CC2)[C@@H](CCO)C1 ZINC000020869376 558418389 /nfs/dbraw/zinc/41/83/89/558418389.db2.gz QHPZJBWGPKSCOV-SFHVURJKSA-N 1 1 404.986 3.093 50 0 HGAAMO Cc1c2cccc(Cl)c2[nH]c1CN1CC[N@H+](C2CCN(C)CC2)[C@@H](CCO)C1 ZINC000020869376 558418390 /nfs/dbraw/zinc/41/83/90/558418390.db2.gz QHPZJBWGPKSCOV-SFHVURJKSA-N 1 1 404.986 3.093 50 0 HGAAMO O=C1C[C@@H](c2nc3ccccc3n2CC[NH+]2CCOCC2)CN1Cc1ccc(F)cc1 ZINC000021172084 558432959 /nfs/dbraw/zinc/43/29/59/558432959.db2.gz GEQFKVJUXDGXQR-LJQANCHMSA-N 1 1 422.504 3.024 50 0 HGAAMO CN(C(=O)CCN1Cc2ccccc2C1=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000012596551 558437954 /nfs/dbraw/zinc/43/79/54/558437954.db2.gz PWCFBMZKSNMTAQ-JOCHJYFZSA-N 1 1 405.542 3.198 50 0 HGAAMO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)Nc1ccccc1-c1ccccc1 ZINC000022198823 558466359 /nfs/dbraw/zinc/46/63/59/558466359.db2.gz RUGLSSWHZLWJJF-JOCHJYFZSA-N 1 1 407.514 3.005 50 0 HGAAMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1cccc(OC[C@H]2CCCO2)c1 ZINC000012974194 558490430 /nfs/dbraw/zinc/49/04/30/558490430.db2.gz GGDDZZCDLGKMCR-HSZRJFAPSA-N 1 1 410.514 3.007 50 0 HGAAMO CCC(CC)[C@@H](CNC(=O)c1ccc(OC)c(Br)c1)[NH+]1CCOCC1 ZINC000022898833 558519201 /nfs/dbraw/zinc/51/92/01/558519201.db2.gz PMINKLDUGQOPRC-QGZVFWFLSA-N 1 1 413.356 3.325 50 0 HGAAMO COc1cccc(C[N@@H+]2CCN(Cc3c(C)nn(C(C)C)c3C)C[C@@H]2CCO)c1 ZINC000022932769 558525029 /nfs/dbraw/zinc/52/50/29/558525029.db2.gz VKVZPCGNDLZCFO-NRFANRHFSA-N 1 1 400.567 3.158 50 0 HGAAMO COc1cccc(C[N@H+]2CCN(Cc3c(C)nn(C(C)C)c3C)C[C@@H]2CCO)c1 ZINC000022932769 558525031 /nfs/dbraw/zinc/52/50/31/558525031.db2.gz VKVZPCGNDLZCFO-NRFANRHFSA-N 1 1 400.567 3.158 50 0 HGAAMO Cc1cccc(C)c1NC(=O)CN1CC[NH+](CCC(=O)Nc2ccccc2F)CC1 ZINC000022934246 558525749 /nfs/dbraw/zinc/52/57/49/558525749.db2.gz HYLKTHYIUXNFMB-UHFFFAOYSA-N 1 1 412.509 3.027 50 0 HGAAMO COc1cccc2ccc(CN3CC[N@@H+](CCc4ccccc4)[C@@H](CCO)C3)nc21 ZINC000023373286 558553605 /nfs/dbraw/zinc/55/36/05/558553605.db2.gz WUINPJBDPAYTCV-QHCPKHFHSA-N 1 1 405.542 3.355 50 0 HGAAMO CC(=O)c1ccc(N2CC[NH+](C[C@@H](O)CO[C@H]3CCCc4ccccc43)CC2)cc1 ZINC000023409377 558557506 /nfs/dbraw/zinc/55/75/06/558557506.db2.gz OGWTUTVQGZESEI-NOZRDPDXSA-N 1 1 408.542 3.466 50 0 HGAAMO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N2CCN(Cc3ccccc3)CC2)c(OC)c1 ZINC000024241691 558593036 /nfs/dbraw/zinc/59/30/36/558593036.db2.gz NBOKOZFDVXBYLH-HSZRJFAPSA-N 1 1 423.557 3.185 50 0 HGAAMO COc1ccc([C@H]2CCC[N@H+]2CC(=O)N2CCN(Cc3ccccc3)CC2)c(OC)c1 ZINC000024241691 558593038 /nfs/dbraw/zinc/59/30/38/558593038.db2.gz NBOKOZFDVXBYLH-HSZRJFAPSA-N 1 1 423.557 3.185 50 0 HGAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1ccc(OCc2cscn2)cc1 ZINC000014120055 558622152 /nfs/dbraw/zinc/62/21/52/558622152.db2.gz AKVUCBUYHGPYSR-UHFFFAOYSA-N 1 1 415.559 3.487 50 0 HGAAMO CC(C)(C)c1ccccc1OC[C@H](O)C[NH+]1CCN(Cc2cn3ccccc3n2)CC1 ZINC000025057875 558629493 /nfs/dbraw/zinc/62/94/93/558629493.db2.gz FPAWFTSSJPFYCF-OAQYLSRUSA-N 1 1 422.573 3.189 50 0 HGAAMO O=S(=O)(c1cccc(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)c1)N1CCOCC1 ZINC000025443946 558641175 /nfs/dbraw/zinc/64/11/75/558641175.db2.gz UKOHCIZCERKSDB-OAQYLSRUSA-N 1 1 404.507 3.184 50 0 HGAAMO O=S(=O)(c1cccc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)c1)N1CCOCC1 ZINC000025443946 558641178 /nfs/dbraw/zinc/64/11/78/558641178.db2.gz UKOHCIZCERKSDB-OAQYLSRUSA-N 1 1 404.507 3.184 50 0 HGAAMO O=C(OC[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(O)(c1ccccc1)c1ccccc1 ZINC000025572625 558644129 /nfs/dbraw/zinc/64/41/29/558644129.db2.gz VFWVJXBMQLDVMK-XMMPIXPASA-N 1 1 417.505 3.367 50 0 HGAAMO O=C(OC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(O)(c1ccccc1)c1ccccc1 ZINC000025572625 558644132 /nfs/dbraw/zinc/64/41/32/558644132.db2.gz VFWVJXBMQLDVMK-XMMPIXPASA-N 1 1 417.505 3.367 50 0 HGAAMO COc1cc(C(=S)NCCC[NH+]2CCOCC2)ccc1OCc1ccccc1 ZINC000025748564 558648971 /nfs/dbraw/zinc/64/89/71/558648971.db2.gz PDMSXIQYSOAWPF-UHFFFAOYSA-N 1 1 400.544 3.262 50 0 HGAAMO CC(C)[C@@H](CNC(=O)COc1ccc2c(c1)CCC(=O)N2)[N@H+]1CCc2ccccc2C1 ZINC000025919240 558652347 /nfs/dbraw/zinc/65/23/47/558652347.db2.gz XIQBCAATYUFTMC-HSZRJFAPSA-N 1 1 421.541 3.149 50 0 HGAAMO CC(C)CNC(=O)[C@@H]1C[C@H](CN2CCOCC2)C[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000014753486 558671548 /nfs/dbraw/zinc/67/15/48/558671548.db2.gz IHGOJGYVQSPRDI-RCZVLFRGSA-N 1 1 423.601 3.382 50 0 HGAAMO CCOC(=O)C1(Cc2ccc(OC)cc2)CCN(C(=O)[C@H]2CCCCC[N@H+]2C)CC1 ZINC000014971123 558687239 /nfs/dbraw/zinc/68/72/39/558687239.db2.gz APANZZFAZYPOBH-OAQYLSRUSA-N 1 1 416.562 3.284 50 0 HGAAMO Cc1cc(C(=O)NCc2nnc3n2CC[N@H+](CC[C@H](C)c2ccccc2)CC3)c(C)o1 ZINC000014996571 558696231 /nfs/dbraw/zinc/69/62/31/558696231.db2.gz YPZMMPVIDCURJA-KRWDZBQOSA-N 1 1 421.545 3.470 50 0 HGAAMO CCOC(=O)[C@@H](c1ccc(Cl)cc1)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000028693628 558703965 /nfs/dbraw/zinc/70/39/65/558703965.db2.gz HSGTZIBYSYCMMA-LEWJYISDSA-N 1 1 402.922 3.295 50 0 HGAAMO CCOC(=O)Cc1csc(NC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)n1 ZINC000028930993 558707686 /nfs/dbraw/zinc/70/76/86/558707686.db2.gz MCJBIURNGFHZNO-HUUCEWRRSA-N 1 1 417.531 3.110 50 0 HGAAMO CC[NH+](CC)C[C@@H](O)COc1cc(CN(C)Cc2ccncc2C)ccc1OC ZINC000015075931 558716284 /nfs/dbraw/zinc/71/62/84/558716284.db2.gz PQWTWLSDMZUNBA-OAQYLSRUSA-N 1 1 401.551 3.112 50 0 HGAAMO C[N@@H+]1CCN(C(=O)C2CCN(C(=O)Nc3ccccc3)CC2)[C@H](c2ccccc2)C1 ZINC000030029431 558726447 /nfs/dbraw/zinc/72/64/47/558726447.db2.gz MCYJHNHZJONTJI-QFIPXVFZSA-N 1 1 406.530 3.446 50 0 HGAAMO C[N@H+]1CCN(C(=O)C2CCN(C(=O)Nc3ccccc3)CC2)[C@H](c2ccccc2)C1 ZINC000030029431 558726448 /nfs/dbraw/zinc/72/64/48/558726448.db2.gz MCYJHNHZJONTJI-QFIPXVFZSA-N 1 1 406.530 3.446 50 0 HGAAMO COC(=O)c1cccc(NC(=O)C2CC[NH+](Cc3nc(-c4ccccc4)no3)CC2)c1 ZINC000030955507 558747337 /nfs/dbraw/zinc/74/73/37/558747337.db2.gz ASDSXIHIRVVUNC-UHFFFAOYSA-N 1 1 420.469 3.374 50 0 HGAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000016012860 558766748 /nfs/dbraw/zinc/76/67/48/558766748.db2.gz UGLPDDLJAMAXJN-DDOIHHOZSA-N 1 1 421.884 3.080 50 0 HGAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016012860 558766750 /nfs/dbraw/zinc/76/67/50/558766750.db2.gz UGLPDDLJAMAXJN-DDOIHHOZSA-N 1 1 421.884 3.080 50 0 HGAAMO CC[NH+]1CCN(C(=O)c2cnn3c2N[C@H](c2ccccc2)C[C@H]3C(F)(F)F)CC1 ZINC000035805455 558795261 /nfs/dbraw/zinc/79/52/61/558795261.db2.gz UUIMAYFLCRSSSC-IRXDYDNUSA-N 1 1 407.440 3.321 50 0 HGAAMO Cc1sc2nc(C[NH+]3CCC(C)CC3)nc(N3CCNC(=O)C[C@H]3C)c2c1C ZINC000071889393 558807890 /nfs/dbraw/zinc/80/78/90/558807890.db2.gz LIBDHKMYENUXLG-CQSZACIVSA-N 1 1 401.580 3.255 50 0 HGAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)CCCc1nnc(C(=O)Nc2ccccc2)s1 ZINC000032995314 558809706 /nfs/dbraw/zinc/80/97/06/558809706.db2.gz URDTWCJCPQVZPL-MRXNPFEDSA-N 1 1 415.563 3.104 50 0 HGAAMO COc1ccc2c(c1)C=C(CN1CC[N@@H+](CCCc3ccccc3)[C@H](CCO)C1)CO2 ZINC000039460890 558821480 /nfs/dbraw/zinc/82/14/80/558821480.db2.gz VMVGWGCBOBCOLS-XMMPIXPASA-N 1 1 422.569 3.472 50 0 HGAAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)Cn1nnc(-c2ccccc2Cl)n1 ZINC000004594307 558832033 /nfs/dbraw/zinc/83/20/33/558832033.db2.gz SSDCVOWMGCLSRS-XLIONFOSSA-N 1 1 422.920 3.136 50 0 HGAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1cccc(NC(=O)c2nnc(C)s2)c1 ZINC000033022599 558837911 /nfs/dbraw/zinc/83/79/11/558837911.db2.gz LBTDJUDERZWUQF-SFHVURJKSA-N 1 1 415.563 3.483 50 0 HGAAMO COC(=O)c1ccc(C[N@H+]2CCC[C@H](N3CCN(c4ccccc4OC)CC3)C2)cc1 ZINC000019229305 558853493 /nfs/dbraw/zinc/85/34/93/558853493.db2.gz VKPJUOMFHQUOIV-QFIPXVFZSA-N 1 1 423.557 3.268 50 0 HGAAMO COC(=O)c1ccc(CN2CCC[C@H]([NH+]3CCN(c4ccccc4OC)CC3)C2)cc1 ZINC000019229305 558853495 /nfs/dbraw/zinc/85/34/95/558853495.db2.gz VKPJUOMFHQUOIV-QFIPXVFZSA-N 1 1 423.557 3.268 50 0 HGAAMO COc1ccccc1N1CC[NH+]([C@H]2CCCN(C(=O)c3cc(C(C)C)on3)C2)CC1 ZINC000055131357 558873524 /nfs/dbraw/zinc/87/35/24/558873524.db2.gz KTFRWUHGGHLUKG-SFHVURJKSA-N 1 1 412.534 3.233 50 0 HGAAMO CC[NH+]1CCN(C(=O)c2cnn(-c3ncc(C)c(-c4cccs4)n3)c2C2CC2)CC1 ZINC000055153937 558874504 /nfs/dbraw/zinc/87/45/04/558874504.db2.gz KEFGCFMDPVCFAE-UHFFFAOYSA-N 1 1 422.558 3.354 50 0 HGAAMO CCc1nc2cccnc2n1CC[NH+]1CCN(C(=O)Nc2ccccc2CC)CC1 ZINC000033139827 558891585 /nfs/dbraw/zinc/89/15/85/558891585.db2.gz KWTUMTISKZIEAN-UHFFFAOYSA-N 1 1 406.534 3.406 50 0 HGAAMO CC[NH+]1CCN(C(=O)c2cn(-c3ccc(F)cc3)nc2-c2cccc(OC)c2)CC1 ZINC000058148877 558902321 /nfs/dbraw/zinc/90/23/21/558902321.db2.gz FJIXWKGCTVSQCS-UHFFFAOYSA-N 1 1 408.477 3.465 50 0 HGAAMO CN(c1ccccc1)c1ccccc1NC(=O)NC[C@H]([C@H]1CCOC1)[NH+]1CCOCC1 ZINC000058156394 558903063 /nfs/dbraw/zinc/90/30/63/558903063.db2.gz NRDCSMRVBYVPDS-WMZHIEFXSA-N 1 1 424.545 3.313 50 0 HGAAMO C[N@H+]1CCC[C@H](NC(=O)NCc2ccccc2-c2ccc(CN3CCCC3=O)cc2)C1 ZINC000058268286 558915765 /nfs/dbraw/zinc/91/57/65/558915765.db2.gz ZWUITWIVFYVLLD-QFIPXVFZSA-N 1 1 420.557 3.369 50 0 HGAAMO COCCC[N@H+]1CCCN(C(=O)c2sc(Cc3ccc(F)cc3)nc2C)CC1 ZINC000058357315 558921537 /nfs/dbraw/zinc/92/15/37/558921537.db2.gz BBKOROWXVRLNPA-UHFFFAOYSA-N 1 1 405.539 3.366 50 0 HGAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)NC[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000058420991 558925786 /nfs/dbraw/zinc/92/57/86/558925786.db2.gz AJCXIVMPVNOVMF-LJQANCHMSA-N 1 1 410.537 3.400 50 0 HGAAMO Cc1nccn1-c1cc(NCCNC(=O)c2cccc(C(F)(F)F)c2)[nH+]c(C)n1 ZINC000065364664 558975776 /nfs/dbraw/zinc/97/57/76/558975776.db2.gz AZPNAUUSGQGMSZ-UHFFFAOYSA-N 1 1 404.396 3.140 50 0 HGAAMO c1ccc(Nc2nc(NCCC[NH+]3CCOCC3)nc(Nc3ccccc3)n2)cc1 ZINC000096602062 558981170 /nfs/dbraw/zinc/98/11/70/558981170.db2.gz ZLENFPAEWXLYMN-UHFFFAOYSA-N 1 1 405.506 3.493 50 0 HGAAMO CCc1[nH]c(CN2CCOc3c(cc(-c4ccc(OC)nn4)cc3OC)C2)c(C)[nH+]1 ZINC000067833590 558993487 /nfs/dbraw/zinc/99/34/87/558993487.db2.gz UUDWSNXOSIOYLA-UHFFFAOYSA-N 1 1 409.490 3.149 50 0 HGAAMO COc1ccc(C[N@H+]2CCC[C@@]3(CCC(=O)N(CCc4c[nH]cn4)C3)C2)c(F)c1 ZINC000082097416 559037489 /nfs/dbraw/zinc/03/74/89/559037489.db2.gz PNGUXZGKWLUHEG-JOCHJYFZSA-N 1 1 400.498 3.005 50 0 HGAAMO COc1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(CCc4cnc[nH]4)C3)C2)c(F)c1 ZINC000082097416 559037490 /nfs/dbraw/zinc/03/74/90/559037490.db2.gz PNGUXZGKWLUHEG-JOCHJYFZSA-N 1 1 400.498 3.005 50 0 HGAAMO COc1ccc(C[N@H+]2CCC[C@@]3(CCC(=O)N(CCc4cnc[nH]4)C3)C2)c(F)c1 ZINC000082097416 559037492 /nfs/dbraw/zinc/03/74/92/559037492.db2.gz PNGUXZGKWLUHEG-JOCHJYFZSA-N 1 1 400.498 3.005 50 0 HGAAMO Cc1ccccc1CNC(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082097597 559037707 /nfs/dbraw/zinc/03/77/07/559037707.db2.gz PKCJMEKDAAZVHW-HSZRJFAPSA-N 1 1 406.574 3.383 50 0 HGAAMO Cc1cccc(CNC(=O)[C@@H]2CCC[N@H+](C3CCN(Cc4cccnc4)CC3)C2)c1 ZINC000082120090 559039184 /nfs/dbraw/zinc/03/91/84/559039184.db2.gz SRYAYSGXHKBOOZ-HSZRJFAPSA-N 1 1 406.574 3.383 50 0 HGAAMO O=C(N[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cnc(-c2cccs2)[nH]c1=O ZINC000091769613 559073634 /nfs/dbraw/zinc/07/36/34/559073634.db2.gz YIHPRPMJGBZZBH-ZDUSSCGKSA-N 1 1 400.529 3.367 50 0 HGAAMO Cc1n[nH]cc1CN(C)Cc1cccc(OC[C@@H](O)C[N@H+](C)C2CCCCC2)c1 ZINC000095520893 559085313 /nfs/dbraw/zinc/08/53/13/559085313.db2.gz YKELGZBZZMLRNF-QFIPXVFZSA-N 1 1 400.567 3.354 50 0 HGAAMO Cc1n[nH]cc1CN(C)Cc1cccc(OC[C@@H](O)C[N@@H+](C)C2CCCCC2)c1 ZINC000095520893 559085315 /nfs/dbraw/zinc/08/53/15/559085315.db2.gz YKELGZBZZMLRNF-QFIPXVFZSA-N 1 1 400.567 3.354 50 0 HGAAMO COc1cc(Br)c(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CCO2)cc1O ZINC000014157532 559154207 /nfs/dbraw/zinc/15/42/07/559154207.db2.gz DLQWLZYFWFVULA-QGZVFWFLSA-N 1 1 421.335 3.154 50 0 HGAAMO COC(=O)c1ccc(N2C(=O)C[C@@H]([NH2+]Cc3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000104671159 559161369 /nfs/dbraw/zinc/16/13/69/559161369.db2.gz LNCMRLQUJVTALQ-MRXNPFEDSA-N 1 1 407.253 3.202 50 0 HGAAMO C[C@H]1C[C@H](C)C[NH+](Cc2csc(NC(=O)Cc3n[nH]c(=O)c4ccccc34)n2)C1 ZINC000014528829 559167506 /nfs/dbraw/zinc/16/75/06/559167506.db2.gz JCWIMQWXUDKMST-KBPBESRZSA-N 1 1 411.531 3.039 50 0 HGAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1cccn2c(=O)c3c(nc12)sc1c3CCCC1 ZINC000004971770 559220888 /nfs/dbraw/zinc/22/08/88/559220888.db2.gz LGBHFEWGYZPGRO-HNNXBMFYSA-N 1 1 424.570 3.392 50 0 HGAAMO Cc1oc(-c2ccc(C)cc2)nc1C[S@](=O)CC(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000005058070 559238327 /nfs/dbraw/zinc/23/83/27/559238327.db2.gz VGIOORNWHGPWLE-SFNQZPIRSA-N 1 1 417.575 3.198 50 0 HGAAMO Cc1oc(-c2ccc(C)cc2)nc1C[S@](=O)CC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000005058070 559238328 /nfs/dbraw/zinc/23/83/28/559238328.db2.gz VGIOORNWHGPWLE-SFNQZPIRSA-N 1 1 417.575 3.198 50 0 HGAAMO COc1cc([C@H]2[C@@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)N2CCCCC2)ccc1O ZINC000016031699 560654805 /nfs/dbraw/zinc/65/48/05/560654805.db2.gz WTNJGYFYMAQZAK-OFAXGOBFSA-N 1 1 402.535 3.081 50 0 biogenic HGAAMO COc1cc([C@H]2[C@@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)NCc2ccccc2)ccc1O ZINC000016043057 560655053 /nfs/dbraw/zinc/65/50/53/560655053.db2.gz VRIZZBHMPMVZAN-KSNOWIBYSA-N 1 1 424.541 3.385 50 0 biogenic HGAAMO COc1cc([C@H]2[C@@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)NCc2ccccc2)ccc1O ZINC000016043057 560655056 /nfs/dbraw/zinc/65/50/56/560655056.db2.gz VRIZZBHMPMVZAN-KSNOWIBYSA-N 1 1 424.541 3.385 50 0 biogenic HGAAMO O=S(=O)(c1ccc(C[NH2+]Cc2c(Cl)cccc2Cl)cc1)N1CCOCC1 ZINC000017317397 560708810 /nfs/dbraw/zinc/70/88/10/560708810.db2.gz BINFZKCBOJHCOK-UHFFFAOYSA-N 1 1 415.342 3.304 50 0 HGAAMO COc1ccc(S(=O)(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1Br ZINC000010544044 560770405 /nfs/dbraw/zinc/77/04/05/560770405.db2.gz LTJBWQVGFSIDCC-OKILXGFUSA-N 1 1 419.385 3.104 50 0 HGAAMO O=C(NC[C@H]([C@H]1CCOC1)[NH+]1CCOCC1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000104676908 560852443 /nfs/dbraw/zinc/85/24/43/560852443.db2.gz MHCGKCBYLOCQDA-RBZQAINGSA-N 1 1 423.557 3.007 50 0 HGAAMO COc1cccc([C@@H](CNS(=O)(=O)c2ccccc2Br)[NH+](C)C)c1 ZINC000047032901 560879873 /nfs/dbraw/zinc/87/98/73/560879873.db2.gz XITQXXCGGRYNHV-MRXNPFEDSA-N 1 1 413.337 3.039 50 0 HGAAMO Cc1nc(CC(C)C)sc1C(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000110600922 560881970 /nfs/dbraw/zinc/88/19/70/560881970.db2.gz JQDZBGRMELRRLR-KRWDZBQOSA-N 1 1 400.548 3.352 50 0 HGAAMO Cc1nc(CC(C)C)sc1C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000110600922 560881972 /nfs/dbraw/zinc/88/19/72/560881972.db2.gz JQDZBGRMELRRLR-KRWDZBQOSA-N 1 1 400.548 3.352 50 0 HGAAMO O=C(CN1CCC[C@H]1C[N@@H+]1CCC[C@H]1CO)Nc1ccc(Cl)cc1C(F)(F)F ZINC000106924555 560894373 /nfs/dbraw/zinc/89/43/73/560894373.db2.gz XTVBQGINVZTBSJ-GJZGRUSLSA-N 1 1 419.875 3.218 50 0 HGAAMO CC(C)c1c(C(=O)NC[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)cnn1-c1ccc(F)cc1 ZINC000107542467 560896642 /nfs/dbraw/zinc/89/66/42/560896642.db2.gz YBQCSPGFAGDIBC-RBUKOAKNSA-N 1 1 400.498 3.118 50 0 HGAAMO CC(C)c1c(C(=O)NC[C@@H]2C[N@H+]3CCCC[C@H]3CO2)cnn1-c1ccc(F)cc1 ZINC000107542467 560896644 /nfs/dbraw/zinc/89/66/44/560896644.db2.gz YBQCSPGFAGDIBC-RBUKOAKNSA-N 1 1 400.498 3.118 50 0 HGAAMO CC(=O)Nc1ccc(N2C(=O)C[C@H]([NH2+]Cc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000109392326 568422828 /nfs/dbraw/zinc/42/28/28/568422828.db2.gz BOTOHBILPZRWNT-KRWDZBQOSA-N 1 1 406.269 3.374 50 0 HGAAMO C[N@H+]1CCCN(c2ccc(CNC(=O)c3csc(-c4cccs4)n3)cn2)CC1 ZINC000048234136 568432492 /nfs/dbraw/zinc/43/24/92/568432492.db2.gz JRVNNEINCZODMO-UHFFFAOYSA-N 1 1 413.572 3.339 50 0 HGAAMO CCCC(=O)NC1CC[NH+](Cc2cc(=O)n3c(-c4ccccc4)csc3n2)CC1 ZINC000048309869 568436492 /nfs/dbraw/zinc/43/64/92/568436492.db2.gz OSBLUMOWOFRIFM-UHFFFAOYSA-N 1 1 410.543 3.304 50 0 HGAAMO CC(C)c1ccccc1OC[C@@H](O)C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022027076 568473153 /nfs/dbraw/zinc/47/31/53/568473153.db2.gz YNCUVRNFXIVMQE-FQEVSTJZSA-N 1 1 412.530 3.096 50 0 HGAAMO CC[NH+]1CCN([C@H](c2cccs2)[C@@H](C)NC(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000020288077 568597573 /nfs/dbraw/zinc/59/75/73/568597573.db2.gz JLMDVKXRPNVNLO-IERDGZPVSA-N 1 1 417.575 3.262 50 0 HGAAMO CC(C)Cc1ccc([C@@H](C)NC(=O)C[NH+]2CCC3(CC2)SCC(=O)N3C)cc1 ZINC000095469402 568625606 /nfs/dbraw/zinc/62/56/06/568625606.db2.gz MHJASUGTGGKYBA-QGZVFWFLSA-N 1 1 403.592 3.060 50 0 HGAAMO COc1cc(C(C)=O)ccc1OCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000225326977 568629802 /nfs/dbraw/zinc/62/98/02/568629802.db2.gz WJPHAQKMPWMYMB-LAUBAEHRSA-N 1 1 410.514 3.303 50 0 HGAAMO Cn1cccc1[C@H](CNC(=O)COc1ccccc1F)[N@@H+]1CCc2ccccc2C1 ZINC000021151923 568672608 /nfs/dbraw/zinc/67/26/08/568672608.db2.gz JCNBEBCBIDWHLM-QFIPXVFZSA-N 1 1 407.489 3.459 50 0 HGAAMO Cn1cccc1[C@H](CNC(=O)COc1ccccc1F)[N@H+]1CCc2ccccc2C1 ZINC000021151923 568672610 /nfs/dbraw/zinc/67/26/10/568672610.db2.gz JCNBEBCBIDWHLM-QFIPXVFZSA-N 1 1 407.489 3.459 50 0 HGAAMO COCC(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+](Cc2ncc(-c3ccccc3C)o2)C1 ZINC000096000128 568680852 /nfs/dbraw/zinc/68/08/52/568680852.db2.gz IVYGFYSDJZVCNP-INIZCTEOSA-N 1 1 409.490 3.338 50 0 HGAAMO COCC(=O)Nc1c[nH]nc1[C@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3C)o2)C1 ZINC000096000128 568680856 /nfs/dbraw/zinc/68/08/56/568680856.db2.gz IVYGFYSDJZVCNP-INIZCTEOSA-N 1 1 409.490 3.338 50 0 HGAAMO CCCSc1ccccc1N1CC[NH+](CCCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000096027662 568686741 /nfs/dbraw/zinc/68/67/41/568686741.db2.gz PFMVPQWPICNRML-UHFFFAOYSA-N 1 1 404.580 3.031 50 0 HGAAMO CC(=O)N1CCc2[nH]c3ccc(C(=O)N4CC[NH+](Cc5ccccc5)CC4)cc3c2C1 ZINC000096363731 568739572 /nfs/dbraw/zinc/73/95/72/568739572.db2.gz HZEKCCDZNTVDNL-UHFFFAOYSA-N 1 1 416.525 3.031 50 0 HGAAMO COc1ccc(-c2noc(C[NH+]3CCC(C(=O)NCCC(C)C)CC3)n2)cc1OC ZINC000021880556 568757133 /nfs/dbraw/zinc/75/71/33/568757133.db2.gz SVOABSMARRHEAY-UHFFFAOYSA-N 1 1 416.522 3.128 50 0 HGAAMO COc1ccc(S(=O)(=O)N2CCC([N@H+]3CCc4sccc4C3)CC2)cc1F ZINC000225689998 568779064 /nfs/dbraw/zinc/77/90/64/568779064.db2.gz OAYVPCNKXVKVOC-UHFFFAOYSA-N 1 1 410.536 3.107 50 0 HGAAMO C[C@H]1CCCCN1S(=O)(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000056124624 568786406 /nfs/dbraw/zinc/78/64/06/568786406.db2.gz IQLULKQBKSJKGL-HNNXBMFYSA-N 1 1 419.513 3.379 50 0 HGAAMO CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1C[N@H+](C)Cc1ccc(C)cc1 ZINC000057553990 568853640 /nfs/dbraw/zinc/85/36/40/568853640.db2.gz KICODNXWRMJAAI-UHFFFAOYSA-N 1 1 400.548 3.247 50 0 HGAAMO CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1C[N@@H+](C)Cc1ccc(C)cc1 ZINC000057553990 568853643 /nfs/dbraw/zinc/85/36/43/568853643.db2.gz KICODNXWRMJAAI-UHFFFAOYSA-N 1 1 400.548 3.247 50 0 HGAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)NCCc1ccc(OC)cc1 ZINC000263584794 568877788 /nfs/dbraw/zinc/87/77/88/568877788.db2.gz ASLISZIYQIFXFJ-RBBKRZOGSA-N 1 1 403.567 3.160 50 0 biogenic HGAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)CC1(n2cccc2)CCOCC1 ZINC000263585692 568878663 /nfs/dbraw/zinc/87/86/63/568878663.db2.gz LKVKNEKNKPYTAW-FCHUYYIVSA-N 1 1 417.594 3.123 50 0 biogenic HGAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)Cc1csc(-n2cccc2)n1 ZINC000263585584 568878715 /nfs/dbraw/zinc/87/87/15/568878715.db2.gz KHROACZNMOLMBQ-AZUAARDMSA-N 1 1 416.591 3.216 50 0 biogenic HGAAMO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](C[C@H](O)Cn2c3ccccc3c3c2CCCC3)C1 ZINC000001323234 568914892 /nfs/dbraw/zinc/91/48/92/568914892.db2.gz ROTXKTSJRVHHQL-ZCNNSNEGSA-N 1 1 417.553 3.162 50 0 biogenic HGAAMO CCC(CC)[C@@H](CNC(=O)c1cc(Br)ccc1F)[NH+]1CCOCC1 ZINC000012748313 568934440 /nfs/dbraw/zinc/93/44/40/568934440.db2.gz UOPGEVGZPGTXCU-QGZVFWFLSA-N 1 1 401.320 3.455 50 0 HGAAMO CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000012774035 568953276 /nfs/dbraw/zinc/95/32/76/568953276.db2.gz NSTCKFKJQWQKPD-UNMCSNQZSA-N 1 1 415.965 3.442 50 0 HGAAMO O=C(c1cncc(Br)c1)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000012777962 568955968 /nfs/dbraw/zinc/95/59/68/568955968.db2.gz ZWOFUKAJQGDWJV-UHFFFAOYSA-N 1 1 411.303 3.350 50 0 HGAAMO CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2cccc(Cl)c2)cc1 ZINC000008225715 568983355 /nfs/dbraw/zinc/98/33/55/568983355.db2.gz DSLSAPBUCXWOIH-HNNXBMFYSA-N 1 1 423.966 3.486 50 0 HGAAMO CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2cccc(Cl)c2)cc1 ZINC000008225715 568983357 /nfs/dbraw/zinc/98/33/57/568983357.db2.gz DSLSAPBUCXWOIH-HNNXBMFYSA-N 1 1 423.966 3.486 50 0 HGAAMO COc1cccc(C[N@@H+]2CCN(Cc3cc(Cl)c(O)c(OC)c3)C[C@H]2CCO)c1 ZINC000104376807 569008442 /nfs/dbraw/zinc/00/84/42/569008442.db2.gz ATLMWHOQTSNIKE-GOSISDBHSA-N 1 1 420.937 3.132 50 0 HGAAMO COc1cccc(C[N@H+]2CCN(Cc3cc(Cl)c(O)c(OC)c3)C[C@H]2CCO)c1 ZINC000104376807 569008443 /nfs/dbraw/zinc/00/84/43/569008443.db2.gz ATLMWHOQTSNIKE-GOSISDBHSA-N 1 1 420.937 3.132 50 0 HGAAMO Cc1ccc(C[N@@H+]2CCN(Cc3ccc(Oc4ncccn4)cc3)C[C@H]2CCO)o1 ZINC000104486532 569008785 /nfs/dbraw/zinc/00/87/85/569008785.db2.gz GWLDZMLPKZMHBH-HXUWFJFHSA-N 1 1 408.502 3.239 50 0 HGAAMO Cc1ccc(C[N@H+]2CCN(Cc3ccc(Oc4ncccn4)cc3)C[C@H]2CCO)o1 ZINC000104486532 569008786 /nfs/dbraw/zinc/00/87/86/569008786.db2.gz GWLDZMLPKZMHBH-HXUWFJFHSA-N 1 1 408.502 3.239 50 0 HGAAMO CCNC(=O)[C@@H](C)Nc1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCCC3 ZINC000012885243 569019484 /nfs/dbraw/zinc/01/94/84/569019484.db2.gz REUWGEPYHBFWBY-CQSZACIVSA-N 1 1 401.580 3.493 50 0 HGAAMO O=C(Nc1ccccc1OC(F)F)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000229849842 569040793 /nfs/dbraw/zinc/04/07/93/569040793.db2.gz RFSJONJVHKYTDY-IAGOWNOFSA-N 1 1 405.445 3.293 50 0 HGAAMO Cc1nnc(C2CC[NH+](CC(=O)N3CCN(c4ccc(Cl)cc4)CC3)CC2)s1 ZINC000090591532 569041381 /nfs/dbraw/zinc/04/13/81/569041381.db2.gz SLZBVSQJJCYVAQ-UHFFFAOYSA-N 1 1 419.982 3.028 50 0 HGAAMO Cc1nc(Nc2ccccn2)cc(NCCNC(=O)COc2ccc(Cl)cc2)[nH+]1 ZINC000090607917 569042198 /nfs/dbraw/zinc/04/21/98/569042198.db2.gz BYQHAKQRSHHJBV-UHFFFAOYSA-N 1 1 412.881 3.184 50 0 HGAAMO COc1cc(NC(=O)Nc2ccc(C[NH+]3CCN(C)CC3)cc2)cc(OC)c1OC ZINC000035598054 569045869 /nfs/dbraw/zinc/04/58/69/569045869.db2.gz LXZRXSJREJSGCY-UHFFFAOYSA-N 1 1 414.506 3.104 50 0 HGAAMO Cc1nn(C)c(C)c1CCOC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000239782606 569054550 /nfs/dbraw/zinc/05/45/50/569054550.db2.gz CPPBHCCTXOFCRT-RBUKOAKNSA-N 1 1 409.452 3.433 50 0 HGAAMO O=C([C@@H](c1ccccc1)[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)N1CCOCC1 ZINC000240412641 569054588 /nfs/dbraw/zinc/05/45/88/569054588.db2.gz FNNGHTLITBJVNC-NZQKXSOJSA-N 1 1 408.498 3.195 50 0 HGAAMO O=C([C@@H](c1ccccc1)[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)N1CCOCC1 ZINC000240412641 569054589 /nfs/dbraw/zinc/05/45/89/569054589.db2.gz FNNGHTLITBJVNC-NZQKXSOJSA-N 1 1 408.498 3.195 50 0 HGAAMO C[C@H]1C[N@H+](Cc2ccc(C(=O)NC[C@H]3CCN(c4ccc(F)cc4)C3)cc2)CCO1 ZINC000242191304 569054992 /nfs/dbraw/zinc/05/49/92/569054992.db2.gz XENKPUXFDKZHFZ-AZUAARDMSA-N 1 1 411.521 3.303 50 0 HGAAMO C[C@H]1C[N@@H+](Cc2ccc(C(=O)NC[C@H]3CCN(c4ccc(F)cc4)C3)cc2)CCO1 ZINC000242191304 569054993 /nfs/dbraw/zinc/05/49/93/569054993.db2.gz XENKPUXFDKZHFZ-AZUAARDMSA-N 1 1 411.521 3.303 50 0 HGAAMO CCCCNC(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@H]2[C@H]1c1cc(OC)ccc1OC ZINC000245311954 569055788 /nfs/dbraw/zinc/05/57/88/569055788.db2.gz QUMWUHGCJYLWBL-WWPVKYPJSA-N 1 1 404.551 3.288 50 0 HGAAMO CCCCNC(=O)C[N@H+]1CC[C@]2(O)CCCC[C@H]2[C@H]1c1cc(OC)ccc1OC ZINC000245311954 569055789 /nfs/dbraw/zinc/05/57/89/569055789.db2.gz QUMWUHGCJYLWBL-WWPVKYPJSA-N 1 1 404.551 3.288 50 0 HGAAMO CCOc1cc([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)N2CCCCC2)ccc1O ZINC000006464573 569057840 /nfs/dbraw/zinc/05/78/40/569057840.db2.gz NHZZGNAMAAEEJA-FOVJLYNBSA-N 1 1 416.562 3.472 50 0 HGAAMO COc1ccc2c(c1)N1CC[N@H+](Cc3ccc(F)cc3)C[C@@H]1[C@H](C(=O)NC(C)C)C2 ZINC000035911148 569065928 /nfs/dbraw/zinc/06/59/28/569065928.db2.gz MGAJNFHGUSLJQZ-FYYLOGMGSA-N 1 1 411.521 3.222 50 0 HGAAMO O=C(CN1CCC[N@@H+](CC2CCCCC2)CC1)NCc1ccc(OC(F)F)cc1 ZINC000054319100 569070829 /nfs/dbraw/zinc/07/08/29/569070829.db2.gz CPRUZNXLSKYLBW-UHFFFAOYSA-N 1 1 409.521 3.492 50 0 HGAAMO CCC[NH+]1CCN(C(=O)c2csc3c2CCN(Cc2c(C)noc2C)C3)CC1 ZINC000426373882 569072500 /nfs/dbraw/zinc/07/25/00/569072500.db2.gz XRNPYZVAVJQCCU-UHFFFAOYSA-N 1 1 402.564 3.079 50 0 HGAAMO Cc1cc(C(F)(F)F)n2ncc(C(=O)N3CC[N@@H+](C)C[C@@H]3c3ccccc3)c2n1 ZINC000426727287 569073995 /nfs/dbraw/zinc/07/39/95/569073995.db2.gz AGMFDYIOOQWLMO-MRXNPFEDSA-N 1 1 403.408 3.185 50 0 HGAAMO Cc1cc(C(F)(F)F)n2ncc(C(=O)N3CC[N@H+](C)C[C@@H]3c3ccccc3)c2n1 ZINC000426727287 569073996 /nfs/dbraw/zinc/07/39/96/569073996.db2.gz AGMFDYIOOQWLMO-MRXNPFEDSA-N 1 1 403.408 3.185 50 0 HGAAMO COc1cccc(C[N@@H+](Cc2ccco2)C[C@H](O)COCc2ccco2)c1OC ZINC000036103601 569092078 /nfs/dbraw/zinc/09/20/78/569092078.db2.gz IXPRIIDGDPERKC-SFHVURJKSA-N 1 1 401.459 3.470 50 0 HGAAMO COc1cccc(C[N@H+](Cc2ccco2)C[C@H](O)COCc2ccco2)c1OC ZINC000036103601 569092080 /nfs/dbraw/zinc/09/20/80/569092080.db2.gz IXPRIIDGDPERKC-SFHVURJKSA-N 1 1 401.459 3.470 50 0 HGAAMO CC(C)(C)C(=O)N1CC[NH+]([C@H](C(=O)N2CCc3ccccc3C2)C2CCCC2)CC1 ZINC000036250629 569119874 /nfs/dbraw/zinc/11/98/74/569119874.db2.gz SVFWQBQOLAZTEW-QFIPXVFZSA-N 1 1 411.590 3.320 50 0 HGAAMO COc1ccc(C[N@@H+](C[C@@H](O)COCc2ccccc2)C[C@@H]2CCCO2)cc1OC ZINC000169679476 569126748 /nfs/dbraw/zinc/12/67/48/569126748.db2.gz ATUKVMYQOHLSII-YADHBBJMSA-N 1 1 415.530 3.263 50 0 HGAAMO Cc1ccc([C@@H]2CC(c3cccc(F)c3)=NN2C(=O)C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000036342520 569142102 /nfs/dbraw/zinc/14/21/02/569142102.db2.gz YCOXXVQOTINYOU-QFIPXVFZSA-N 1 1 422.504 3.009 50 0 HGAAMO COc1ccc([C@H]2CC(c3ccccc3OC)=NN2C(=O)C[NH+]2CCCC2)c(OC)c1 ZINC000036344475 569142724 /nfs/dbraw/zinc/14/27/24/569142724.db2.gz XVZXLODUXOEPBJ-OAQYLSRUSA-N 1 1 423.513 3.486 50 0 HGAAMO O=C([C@H]1CCCN(c2nc3cccnc3s2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000065330693 569225123 /nfs/dbraw/zinc/22/51/23/569225123.db2.gz UUXQDOVZVDAYLL-IBGZPJMESA-N 1 1 421.570 3.252 50 0 HGAAMO CC[N@H+](CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)Cc1ccccc1 ZINC000007444993 569239250 /nfs/dbraw/zinc/23/92/50/569239250.db2.gz IJYSVRVHFJVLTA-UHFFFAOYSA-N 1 1 415.559 3.322 50 0 HGAAMO CC[N@@H+](CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)Cc1ccccc1 ZINC000007444993 569239251 /nfs/dbraw/zinc/23/92/51/569239251.db2.gz IJYSVRVHFJVLTA-UHFFFAOYSA-N 1 1 415.559 3.322 50 0 HGAAMO COc1ccc(C[N@H+]2CCCN(C(=O)CCc3csc4nc(C)cn34)CC2)cc1 ZINC000089702091 569262712 /nfs/dbraw/zinc/26/27/12/569262712.db2.gz NRSZGUDRFAERKC-UHFFFAOYSA-N 1 1 412.559 3.380 50 0 HGAAMO CC(C)C(=O)N1CCC[C@H](C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC000089775647 569263532 /nfs/dbraw/zinc/26/35/32/569263532.db2.gz WSZFFFSGSCYSLE-VJBWXMMDSA-N 1 1 411.590 3.394 50 0 HGAAMO CC(C)c1c(C(=O)NC[C@H]2C[N@@H+]3CCCC[C@@H]3CO2)cnn1-c1ccc(F)cc1 ZINC000089891156 569267862 /nfs/dbraw/zinc/26/78/62/569267862.db2.gz YBQCSPGFAGDIBC-MOPGFXCFSA-N 1 1 400.498 3.118 50 0 HGAAMO CC(C)c1c(C(=O)NC[C@H]2C[N@H+]3CCCC[C@@H]3CO2)cnn1-c1ccc(F)cc1 ZINC000089891156 569267863 /nfs/dbraw/zinc/26/78/63/569267863.db2.gz YBQCSPGFAGDIBC-MOPGFXCFSA-N 1 1 400.498 3.118 50 0 HGAAMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)COc1ccc(N2CCCC2=O)cc1 ZINC000089937329 569269135 /nfs/dbraw/zinc/26/91/35/569269135.db2.gz XBHQIULKOZHLCJ-CVDCTZTESA-N 1 1 421.541 3.219 50 0 HGAAMO CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)C[N@@H+](C)[C@H]2CCc3ccccc32)cc1 ZINC000252457593 569286423 /nfs/dbraw/zinc/28/64/23/569286423.db2.gz VDKJESCCOWUKAG-NRFANRHFSA-N 1 1 415.559 3.273 50 0 HGAAMO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)C[N@H+]1CCC[C@@H](C)C1 ZINC000002296098 569369616 /nfs/dbraw/zinc/36/96/16/569369616.db2.gz MIJMCROWXZIUCA-LLVKDONJSA-N 1 1 408.296 3.387 50 0 HGAAMO CCC[C@@H](C)[NH+]1CCN(S(=O)(=O)c2cc(-c3onc(C)c3C)ccc2OC)CC1 ZINC000063634574 569389160 /nfs/dbraw/zinc/38/91/60/569389160.db2.gz KSDPRSYZXFOCNM-OAHLLOKOSA-N 1 1 421.563 3.462 50 0 HGAAMO Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000013068783 569408426 /nfs/dbraw/zinc/40/84/26/569408426.db2.gz RPFBVQPIVYJZTG-SFHVURJKSA-N 1 1 415.559 3.239 50 0 HGAAMO C[C@H]1C[C@@H](NC(=O)c2cccc(C(=O)N3CCCC3)n2)CC[N@H+]1Cc1ccccc1 ZINC000079025247 569424724 /nfs/dbraw/zinc/42/47/24/569424724.db2.gz NORMPTKZHRTKHA-ICSRJNTNSA-N 1 1 406.530 3.101 50 0 HGAAMO C[C@H]([NH2+]Cc1cnn([C@]2(C)CCS(=O)(=O)C2)c1)c1ccccc1Br ZINC000079108801 569427878 /nfs/dbraw/zinc/42/78/78/569427878.db2.gz HYNKILQJRBXKIG-SUMWQHHRSA-N 1 1 412.353 3.030 50 0 HGAAMO O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000079192868 569429298 /nfs/dbraw/zinc/42/92/98/569429298.db2.gz FSFQLCYXLPWMPS-HRAATJIYSA-N 1 1 410.514 3.041 50 0 biogenic HGAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1c(C)oc2ncn(CC(C)C)c(=O)c21 ZINC000008596597 571088046 /nfs/dbraw/zinc/08/80/46/571088046.db2.gz QDMGUGMUXJHMBS-KRWDZBQOSA-N 1 1 402.539 3.338 50 0 HGAAMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cn2nnc3ccccc32)cc1 ZINC000008748398 571111653 /nfs/dbraw/zinc/11/16/53/571111653.db2.gz DUTGNIFFJWTTDD-QFIPXVFZSA-N 1 1 411.509 3.484 50 0 HGAAMO COc1cc(C(C)=O)ccc1OC[C@H](O)CNCC1([NH+]2CCCCC2)CCCCC1 ZINC000039945130 571135111 /nfs/dbraw/zinc/13/51/11/571135111.db2.gz SXEPCONCYVSSLA-OAQYLSRUSA-N 1 1 418.578 3.416 50 0 HGAAMO O=C(CN1CCC(CCc2ccc(O)cc2)CC1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000040050462 571143972 /nfs/dbraw/zinc/14/39/72/571143972.db2.gz POKNJVITGNFJOY-DEOSSOPVSA-N 1 1 421.585 3.428 50 0 HGAAMO O=C(CN1CCC(CCc2ccc(O)cc2)CC1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000040050462 571143975 /nfs/dbraw/zinc/14/39/75/571143975.db2.gz POKNJVITGNFJOY-DEOSSOPVSA-N 1 1 421.585 3.428 50 0 HGAAMO Cc1ccc(S(=O)(=O)N2CCC[N@H+](C[C@H](O)c3ccc(Cl)cc3)CC2)cc1 ZINC000040050449 571144000 /nfs/dbraw/zinc/14/40/00/571144000.db2.gz ULSJDWWXMREUIY-FQEVSTJZSA-N 1 1 408.951 3.078 50 0 HGAAMO Cc1ccc(S(=O)(=O)N2CCC[N@@H+](C[C@H](O)c3ccc(Cl)cc3)CC2)cc1 ZINC000040050449 571144002 /nfs/dbraw/zinc/14/40/02/571144002.db2.gz ULSJDWWXMREUIY-FQEVSTJZSA-N 1 1 408.951 3.078 50 0 HGAAMO Cc1ccn2c(c1)ncc(C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)c2=O ZINC000040112324 571170491 /nfs/dbraw/zinc/17/04/91/571170491.db2.gz MFVQRYMWNOGQJY-GOSISDBHSA-N 1 1 404.514 3.165 50 0 HGAAMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H]2CCCN(c3cnccn3)C2)C1 ZINC000040112287 571170545 /nfs/dbraw/zinc/17/05/45/571170545.db2.gz WPWYFCUHQSGAIX-SIKLNZKXSA-N 1 1 407.562 3.241 50 0 HGAAMO CC[N@@H+](Cc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@H](C)c1cccc(OC)c1 ZINC000040122946 571178816 /nfs/dbraw/zinc/17/88/16/571178816.db2.gz IGDQLVGRQXJKLH-GOSISDBHSA-N 1 1 418.559 3.299 50 0 HGAAMO Cc1cc(S(=O)(=O)NC[C@H](c2cccs2)[NH+](C)C)ccc1Br ZINC000069082808 571196431 /nfs/dbraw/zinc/19/64/31/571196431.db2.gz BGVATSJPVSYOLQ-CQSZACIVSA-N 1 1 403.367 3.400 50 0 HGAAMO CCc1ccc(CCC(=O)NCc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)cc1 ZINC000040156827 571203688 /nfs/dbraw/zinc/20/36/88/571203688.db2.gz JWJSMOKBTLTWAW-UHFFFAOYSA-N 1 1 423.557 3.159 50 0 HGAAMO Cc1c(C(=O)NC2CCCC2)nnn1-c1cccc2c1CC[N@@H+](Cc1ccncc1)C2 ZINC000069966771 571251603 /nfs/dbraw/zinc/25/16/03/571251603.db2.gz LEGLPKWTIOOWHJ-UHFFFAOYSA-N 1 1 416.529 3.201 50 0 HGAAMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(Br)cc1)c1ccc(F)cc1 ZINC000010335388 571300867 /nfs/dbraw/zinc/30/08/67/571300867.db2.gz RDPCYYKSKPCDBE-INIZCTEOSA-N 1 1 401.301 3.169 50 0 HGAAMO CC(C)Cn1c2ccccc2nc(-c2ccc(C(=O)N3CCC[N@@H+](C)CC3)cc2)c1=O ZINC000033298528 571316117 /nfs/dbraw/zinc/31/61/17/571316117.db2.gz AOUZSMPRGLRHEW-UHFFFAOYSA-N 1 1 418.541 3.497 50 0 HGAAMO