smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)c1ccc(N2C[C@@H]3CCCC[N@@H+]3[C@H]2c2cccc(OC)c2O)cc1 ZINC000001032993 837017142 /nfs/dbraw/zinc/01/71/42/837017142.db2.gz RYOFLBSHVDGRGD-PGRDOPGGSA-N 1 0 396.487 3.951 50 10 GHCARO Oc1ccc(-c2cncnc2)cc1C[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000019958562 919601409 /nfs/dbraw/zinc/60/14/09/919601409.db2.gz NOFPCRSLFBKETE-QPJJXVBHSA-N 1 0 386.499 3.680 50 10 GHCARO CCOc1ccc(C2=NC3(CC[NH+](C)CC3)N[C@H](c3ccccc3O)C2)cc1 ZINC000065297892 205228354 /nfs/dbraw/zinc/22/83/54/205228354.db2.gz AOEUPBMGAPDZEL-NRFANRHFSA-N 1 0 379.504 3.737 50 10 biogenic GHCARO CC(=O)Nc1ccc([C@H]2c3[nH]cnc3CC[N@H+]2Cc2cc(C)ccc2O)cc1 ZINC000067885666 205267060 /nfs/dbraw/zinc/26/70/60/205267060.db2.gz WGTGETUUEAWHGB-QFIPXVFZSA-N 1 0 376.460 3.530 50 10 GHCARO Cc1cccc(C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCCC2)c1 ZINC000013007800 205884336 /nfs/dbraw/zinc/88/43/36/205884336.db2.gz RYKJADPZSGZFHK-QHCPKHFHSA-N 1 0 377.532 3.944 50 10 GHCARO CC[NH+]1CCC2(CC1)Oc1c(OC)cccc1[C@H]1CC(c3ccccc3O)=NN12 ZINC000010214466 221098273 /nfs/dbraw/zinc/09/82/73/221098273.db2.gz CYNQPDVNUARUOJ-LJQANCHMSA-N 1 0 393.487 3.756 50 10 GHCARO OCC[C@@H]1C[N@H+](Cc2c(O)ccc3ccccc32)CCN1Cc1ccccc1 ZINC000023153320 527564492 /nfs/dbraw/zinc/56/44/92/527564492.db2.gz OLASGLNQQDUOEV-OAQYLSRUSA-N 1 0 376.500 3.614 50 10 GHCARO O=C1C[C@H]([NH2+]CCc2ccccn2)C(=O)N1c1ccc(N=Nc2ccccc2)cc1 ZINC000100712886 570435068 /nfs/dbraw/zinc/43/50/68/570435068.db2.gz UGHKCOCIWBPMGM-UMQBKLLPSA-N 1 0 399.454 3.961 50 10 GHCARO COc1ccc(C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCC2)cc1 ZINC000016838185 570912615 /nfs/dbraw/zinc/91/26/15/570912615.db2.gz DIVSZZDKIVGKHV-HSZRJFAPSA-N 1 0 393.531 3.645 50 10 GHCARO c1csc(CN2CCC[C@H]([NH2+]C3CCN(c4ccc5c(c4)OCO5)CC3)C2)c1 ZINC000820414924 861985052 /nfs/dbraw/zinc/98/50/52/861985052.db2.gz DATGMWRAYJCCPX-SFHVURJKSA-N 1 0 399.560 3.700 50 10 GHCARO CN1CCc2cc([C@@H](CNC(=O)c3ccccc3Cl)[NH+]3CCCC3)ccc21 ZINC000008963331 856678597 /nfs/dbraw/zinc/67/85/97/856678597.db2.gz GOYIKTSYNKMNGT-OAQYLSRUSA-N 1 0 383.923 3.899 50 10 GHCARO COc1ccc(N2CCC([NH2+]CCN3CC[C@@H](c4ccccc4)C3)CC2)cc1 ZINC000824678970 864099303 /nfs/dbraw/zinc/09/93/03/864099303.db2.gz DGVKINXEUTVDGZ-OAQYLSRUSA-N 1 0 379.548 3.743 50 10 GHCARO CCN(C[C@@H]1CC[N@H+](CC)C1)C(=O)c1ccc2c(c1)c1c(n2CC)C(=O)CCC1 ZINC000952981805 904666965 /nfs/dbraw/zinc/66/69/65/904666965.db2.gz NUHYZGWDDYVBQD-QGZVFWFLSA-N 1 0 395.547 3.984 50 10 GHCARO COc1ccccc1COC[C@@H](O)C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000003394639 204004548 /nfs/dbraw/zinc/00/45/48/204004548.db2.gz AKZURUOWLYNVIC-FQEVSTJZSA-N 1 0 397.471 3.574 50 10 GHCARO CN1CCCc2cc([C@@H](CNC(=O)NCc3cccs3)[NH+]3CCCC3)ccc21 ZINC000036705362 204324142 /nfs/dbraw/zinc/32/41/42/204324142.db2.gz XQLUEPIXQFMVTR-OAQYLSRUSA-N 1 0 398.576 3.767 50 10 GHCARO Oc1c([C@@H](c2ccccn2)[NH+]2CCN(c3ccccn3)CC2)ccc2cccnc21 ZINC000004247748 136196661 /nfs/dbraw/zinc/19/66/61/136196661.db2.gz OZSANKKZTCLFJI-QHCPKHFHSA-N 1 0 397.482 3.642 50 10 GHCARO CN1CCCc2cc([C@H](CNC(=O)c3c(F)cccc3F)[NH+]3CCCC3)ccc21 ZINC000013008208 536397399 /nfs/dbraw/zinc/39/73/99/536397399.db2.gz PKMFIQVSBLCNTJ-NRFANRHFSA-N 1 0 399.485 3.914 50 10 GHCARO COc1ccc2ccc(O)c(C[NH+]3CCN(c4ccccc4OC)CC3)c2c1 ZINC000016076244 570913129 /nfs/dbraw/zinc/91/31/29/570913129.db2.gz ZHGKDQRECKCYGF-UHFFFAOYSA-N 1 0 378.472 3.885 50 10 GHCARO CN1CCc2cc([C@H](CNC(=O)c3cccc(F)c3)[NH+]3CCCCC3)ccc21 ZINC000013007731 859729974 /nfs/dbraw/zinc/72/99/74/859729974.db2.gz VIGNEPMGRLNPNP-QFIPXVFZSA-N 1 0 381.495 3.775 50 10 GHCARO C[N@H+](Cc1nnc(-c2ccccc2)o1)C1CCN(c2ccc3c(c2)OCO3)CC1 ZINC000952962188 904639966 /nfs/dbraw/zinc/63/99/66/904639966.db2.gz ANPFYWBIZKPVEE-UHFFFAOYSA-N 1 0 392.459 3.566 50 10 GHCARO COc1ccc(N2CC[NH+](C[C@H](O)COc3cc(C)ccc3C(C)C)CC2)cc1 ZINC000020109728 570240311 /nfs/dbraw/zinc/24/03/11/570240311.db2.gz UBUIZNZBQZBQCO-NRFANRHFSA-N 1 0 398.547 3.689 50 10 GHCARO COc1cccc(O)c1C[N@H+](C)C[C@@H]1CCCN(CCc2ccccc2F)C1 ZINC000012745236 570708120 /nfs/dbraw/zinc/70/81/20/570708120.db2.gz GVDYIAASCDTDHX-SFHVURJKSA-N 1 0 386.511 3.926 50 10 GHCARO COc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)Cc2c(O)cccc2OC)C1 ZINC000014969088 570867477 /nfs/dbraw/zinc/86/74/77/570867477.db2.gz XQXXXFPQHYNAJI-IBGZPJMESA-N 1 0 398.547 3.796 50 10 GHCARO OCCN1c2ccccc2S/C1=C\C=C\c1sc2ccccc2[n+]1CCO ZINC000139709268 863003611 /nfs/dbraw/zinc/00/36/11/863003611.db2.gz DIDPLZYTLXCHNW-UHFFFAOYSA-N 1 0 397.545 3.640 50 10 GHCARO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cc2c(cc1OCCOC)OCO2 ZINC000095453784 860588307 /nfs/dbraw/zinc/58/83/07/860588307.db2.gz MDYSCIGSFSUFHF-UHFFFAOYSA-N 1 0 386.492 3.529 50 10 GHCARO Cc1cc(C[NH2+]CCOCCO)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 ZINC000008403079 204275674 /nfs/dbraw/zinc/27/56/74/204275674.db2.gz HZLZKHSOQLLFKZ-UHFFFAOYSA-N 1 0 390.833 3.865 50 10 GHCARO COc1cccc([C@H]2CC(c3ccc(C)cc3)=NC3(CC[NH+](C)CC3)N2)c1O ZINC000065298150 205227448 /nfs/dbraw/zinc/22/74/48/205227448.db2.gz AKIKKCDEJQNKDY-HXUWFJFHSA-N 1 0 379.504 3.655 50 10 biogenic GHCARO Oc1ccccc1C[N@@H+]1CCC[C@@H](N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000020134999 570241921 /nfs/dbraw/zinc/24/19/21/570241921.db2.gz AGSSPYZOABCNFG-OAQYLSRUSA-N 1 0 385.939 3.832 50 10 GHCARO O=C1C[C@@H]([NH2+]CCc2ccccn2)C(=O)N1c1ccc(N=Nc2ccccc2)cc1 ZINC000100712888 570435232 /nfs/dbraw/zinc/43/52/32/570435232.db2.gz UGHKCOCIWBPMGM-MJAPIOKUSA-N 1 0 399.454 3.961 50 10 GHCARO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000012571622 570681285 /nfs/dbraw/zinc/68/12/85/570681285.db2.gz FJUGVUWMCSBHEL-QHCPKHFHSA-N 1 0 383.488 3.789 50 10 GHCARO CN1CCc2cc([C@H](CNC(=O)c3ccc(F)c(F)c3)[NH+]3CCCC3)ccc21 ZINC000008963352 856678576 /nfs/dbraw/zinc/67/85/76/856678576.db2.gz BGECZPXOTFDARA-NRFANRHFSA-N 1 0 385.458 3.524 50 10 GHCARO CN1CCc2cc([C@H](CNC(=O)c3ccccc3F)[NH+]3CCCCC3)ccc21 ZINC000013007710 859729858 /nfs/dbraw/zinc/72/98/58/859729858.db2.gz WANJVHDOKOQNHW-QFIPXVFZSA-N 1 0 381.495 3.775 50 10 GHCARO CN(C)c1ccc([C@H](CNC(=O)Cc2ccc(Cl)cc2)[NH+]2CCCC2)cc1 ZINC000005097941 204110693 /nfs/dbraw/zinc/11/06/93/204110693.db2.gz OWNABPWCGLBUIP-NRFANRHFSA-N 1 0 385.939 3.902 50 10 GHCARO CC[NH+](CC)CCCN1C(=O)/C(=C/c2ccc(OC)cc2OC)SC1=S ZINC000005025863 204103644 /nfs/dbraw/zinc/10/36/44/204103644.db2.gz HNYULCTYWICLFN-ATVHPVEESA-N 1 0 394.562 3.637 50 10 GHCARO COc1cccc2c1OC1(CC[NH+](C)CC1)N1N=C(c3cc(C)ccc3O)C[C@H]21 ZINC000010214498 204331937 /nfs/dbraw/zinc/33/19/37/204331937.db2.gz ABTSMSBRYGFSQH-LJQANCHMSA-N 1 0 393.487 3.675 50 10 GHCARO O=C([C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)C1)N1CCCCCC1 ZINC000001246106 570259605 /nfs/dbraw/zinc/25/96/05/570259605.db2.gz KGTFRLMZACQVPP-OAHLLOKOSA-N 1 0 395.341 3.769 50 10 GHCARO O=C([C@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)C1)N1CCCCCC1 ZINC000001246108 570259630 /nfs/dbraw/zinc/25/96/30/570259630.db2.gz KGTFRLMZACQVPP-HNNXBMFYSA-N 1 0 395.341 3.769 50 10 GHCARO Cc1cc(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)c(C)n1-c1ccccn1 ZINC000115417488 570275223 /nfs/dbraw/zinc/27/52/23/570275223.db2.gz DCYGGUZOXCVDSN-UHFFFAOYSA-N 1 0 380.467 3.620 50 10 GHCARO OCC[C@H]1C[N@H+](Cc2c(O)ccc3ccccc32)CCN1Cc1ccc(F)cc1 ZINC000023358030 570356099 /nfs/dbraw/zinc/35/60/99/570356099.db2.gz HPAHXJQSTSDATJ-NRFANRHFSA-N 1 0 394.490 3.753 50 10 GHCARO CCOc1ccccc1C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)[NH+]1CCCC1 ZINC000008963227 856678059 /nfs/dbraw/zinc/67/80/59/856678059.db2.gz HEYLJOHIYCXWLO-QFIPXVFZSA-N 1 0 393.531 3.645 50 10 GHCARO COc1ccc(O)c(C[NH+]2CCC3(C[C@@H]3C(=O)Nc3cccc(F)c3)CC2)c1 ZINC000011964870 858306982 /nfs/dbraw/zinc/30/69/82/858306982.db2.gz MXAGIWXXMQDRAL-LJQANCHMSA-N 1 0 384.451 3.781 50 10 GHCARO Cc1cccc(CC(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCCC2)c1 ZINC000013007778 859730116 /nfs/dbraw/zinc/73/01/16/859730116.db2.gz BLXWIYCFXARJDP-DEOSSOPVSA-N 1 0 391.559 3.873 50 10 GHCARO COc1cccc(C[N@@H+]2CC3(CCOCC3)[C@H]2c2cnn(C(C)(C)C)c2)c1O ZINC000585093514 897357447 /nfs/dbraw/zinc/35/74/47/897357447.db2.gz VIAZWJBUPPBDGE-HXUWFJFHSA-N 1 0 385.508 3.706 50 10 GHCARO COc1ccc([C@@]2(O)C[N+](c3cccc(C)c3C)=C3SCCCN32)c(F)c1 ZINC000004086764 204026061 /nfs/dbraw/zinc/02/60/61/204026061.db2.gz ZECBRKOKGPNOTB-NRFANRHFSA-N 1 0 387.500 3.622 50 10 GHCARO O=C(/C=C/c1ccc(N2CCCCCC2)cc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000008122672 204261938 /nfs/dbraw/zinc/26/19/38/204261938.db2.gz FMNQQULDQHTAFT-JXMROGBWSA-N 1 0 390.531 3.824 50 10 GHCARO COc1ccccc1C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)[NH+]1CCCC1 ZINC000011027653 204341942 /nfs/dbraw/zinc/34/19/42/204341942.db2.gz YWBXHRVJRLBQLN-JOCHJYFZSA-N 1 0 393.531 3.645 50 10 GHCARO c1csc([C@H](C[NH2+]Cc2ccc(N3CCCCC3)cc2)N2CCOCC2)c1 ZINC000022921970 136204634 /nfs/dbraw/zinc/20/46/34/136204634.db2.gz MDMXZZQQWKNKCU-NRFANRHFSA-N 1 0 385.577 3.902 50 10 GHCARO CSc1ccc2c(c1)[C@@H]([NH+]1CCN(CCO)CC1)Cc1ccccc1S2 ZINC000022859275 570331393 /nfs/dbraw/zinc/33/13/93/570331393.db2.gz STMRSBFWRHDXLV-IBGZPJMESA-N 1 0 386.586 3.767 50 10 GHCARO CCOc1ccc([C@]2(O)C[N+](c3ccc(CC)cc3)=C3SCCCN32)cc1 ZINC000002684575 570503732 /nfs/dbraw/zinc/50/37/32/570503732.db2.gz ODWLICCSAWDURZ-JOCHJYFZSA-N 1 0 383.537 3.818 50 10 GHCARO O=C1CC[N@H+](Cc2ccccc2O)CCN1Cc1ccccc1C(F)(F)F ZINC000019795159 839850562 /nfs/dbraw/zinc/85/05/62/839850562.db2.gz HBKDMGLGJOVZND-UHFFFAOYSA-N 1 0 378.394 3.646 50 10 GHCARO COc1ccc(N2CC[NH+](CCCNC(=O)Nc3cccc(C)c3C)CC2)cc1 ZINC000006785735 204205599 /nfs/dbraw/zinc/20/55/99/204205599.db2.gz CFUFKHBPHUCRAM-UHFFFAOYSA-N 1 0 396.535 3.646 50 10 GHCARO CCOCc1cc(C[NH2+][C@H]2CCCc3c2cnn3-c2ccccn2)ccc1OC ZINC000012304440 204392926 /nfs/dbraw/zinc/39/29/26/204392926.db2.gz LUAPCLLUHBRDPM-FQEVSTJZSA-N 1 0 392.503 3.980 50 10 GHCARO CC(C)[NH+]1CCC2(CC1)N=C(c1ccccc1O)C[C@H](c1ccccc1O)N2 ZINC000080324868 205384297 /nfs/dbraw/zinc/38/42/97/205384297.db2.gz ZJYVMECYMISWOH-LJQANCHMSA-N 1 0 379.504 3.822 50 10 GHCARO CN(C)c1ccc([C@@H](CNC(=O)Cc2cccc3ccccc32)[NH+](C)C)cc1 ZINC000005097798 205759730 /nfs/dbraw/zinc/75/97/30/205759730.db2.gz QVKPANHKYGHYNJ-HSZRJFAPSA-N 1 0 375.516 3.867 50 10 GHCARO COc1ccc(N2CC[NH+](C[C@@H](O)COc3cc(C)ccc3C(C)C)CC2)cc1 ZINC000020109727 570240474 /nfs/dbraw/zinc/24/04/74/570240474.db2.gz UBUIZNZBQZBQCO-OAQYLSRUSA-N 1 0 398.547 3.689 50 10 GHCARO COc1ccc(N2CCN([C@H]3CCC[N@H+](Cc4ccc(C)s4)C3)CC2)cc1 ZINC000020166476 570245628 /nfs/dbraw/zinc/24/56/28/570245628.db2.gz QCKRXYZFRYXNEK-FQEVSTJZSA-N 1 0 385.577 3.852 50 10 GHCARO COC(=O)c1cc2ccccc2c(C[NH+]2CCN(c3ccccc3)CC2)c1O ZINC000025105091 570406158 /nfs/dbraw/zinc/40/61/58/570406158.db2.gz UNGCTHANPFZQOH-UHFFFAOYSA-N 1 0 376.456 3.654 50 10 GHCARO CCOc1ccc(C(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)cc1 ZINC000008963338 856678401 /nfs/dbraw/zinc/67/84/01/856678401.db2.gz MJTLFZRECXEZBN-HSZRJFAPSA-N 1 0 393.531 3.645 50 10 GHCARO CC[C@@H](C)c1ccccc1OC[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000020807206 860647147 /nfs/dbraw/zinc/64/71/47/860647147.db2.gz DRMNDTDVQFZCHW-TZIWHRDSSA-N 1 0 398.547 3.771 50 10 GHCARO O=C(NCc1ccc(N2CCCC2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000044911057 205090319 /nfs/dbraw/zinc/09/03/19/205090319.db2.gz BEKSFIPQSMZEPP-UHFFFAOYSA-N 1 0 377.532 3.815 50 10 GHCARO Oc1ccc(-c2cnccn2)cc1C[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000299786928 205109293 /nfs/dbraw/zinc/10/92/93/205109293.db2.gz NZJBAHQWHLFGKT-QPJJXVBHSA-N 1 0 386.499 3.680 50 10 GHCARO CCOc1cccc([C@H]2CC(c3ccccc3)=NC3(CC[NH+](C)CC3)N2)c1O ZINC000065298335 205227917 /nfs/dbraw/zinc/22/79/17/205227917.db2.gz SZMJCSOWCLQJPD-HXUWFJFHSA-N 1 0 379.504 3.737 50 10 biogenic GHCARO CN1CCc2cc([C@H](CNC(=O)c3ccccc3Cl)[NH+]3CCCC3)ccc21 ZINC000008963332 856678425 /nfs/dbraw/zinc/67/84/25/856678425.db2.gz GOYIKTSYNKMNGT-NRFANRHFSA-N 1 0 383.923 3.899 50 10 GHCARO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCc3sccc3[C@H]2C2CC2)cc1 ZINC000007255666 204237213 /nfs/dbraw/zinc/23/72/13/204237213.db2.gz VESKIFVZZIVEGF-JOCHJYFZSA-N 1 0 383.561 3.782 50 10 GHCARO OCC[C@H]1C[N@H+](Cc2c(O)ccc3ccccc32)CCN1Cc1ccccc1 ZINC000019836274 570223546 /nfs/dbraw/zinc/22/35/46/570223546.db2.gz OLASGLNQQDUOEV-NRFANRHFSA-N 1 0 376.500 3.614 50 10 GHCARO Oc1ccccc1C[NH+]1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 ZINC000020542977 570267261 /nfs/dbraw/zinc/26/72/61/570267261.db2.gz BBTIWIMVYGAAID-UHFFFAOYSA-N 1 0 386.499 3.660 50 10 GHCARO C[NH+]1CCC2(CC1)N=C(c1cc(Cl)ccc1O)C[C@H](c1ccccc1O)N2 ZINC000015830180 570268994 /nfs/dbraw/zinc/26/89/94/570268994.db2.gz NREFVWWKFAFPNW-QGZVFWFLSA-N 1 0 385.895 3.697 50 10 biogenic GHCARO COCC(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000034682654 570300696 /nfs/dbraw/zinc/30/06/96/570300696.db2.gz QFZMUSRGWGTIQY-UHFFFAOYSA-N 1 0 399.510 3.536 50 10 GHCARO COc1ccc(N2CCN([C@@H]3CCC[N@H+](CCCc4ccccc4)C3)CC2)cc1 ZINC000023372988 570357752 /nfs/dbraw/zinc/35/77/52/570357752.db2.gz HNOPIVFUYDXTCE-XMMPIXPASA-N 1 0 393.575 3.914 50 10 GHCARO CC(C)NC(=O)[C@@H]1C[C@@H](Sc2ccc(F)cc2)C[N@@H+]1Cc1ccccc1O ZINC000014973248 570868052 /nfs/dbraw/zinc/86/80/52/570868052.db2.gz UDCQCGXRKXNCJQ-MOPGFXCFSA-N 1 0 388.508 3.791 50 10 GHCARO COc1ccccc1C(=O)NC[C@H](c1ccc2c(c1)CCN2C)[NH+]1CCCCC1 ZINC000013007748 859730083 /nfs/dbraw/zinc/73/00/83/859730083.db2.gz NBCWDSVAHGXZNW-JOCHJYFZSA-N 1 0 393.531 3.645 50 10 GHCARO COc1ccccc1C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)[NH+]1CCCCC1 ZINC000013007750 859730184 /nfs/dbraw/zinc/73/01/84/859730184.db2.gz NBCWDSVAHGXZNW-QFIPXVFZSA-N 1 0 393.531 3.645 50 10 GHCARO CN(C)c1ccc([C@H](CNC(=O)c2cccc(Br)c2)[NH+](C)C)cc1 ZINC000005097765 204111523 /nfs/dbraw/zinc/11/15/23/204111523.db2.gz IAAAPEWRPTXVBH-SFHVURJKSA-N 1 0 390.325 3.548 50 10 GHCARO C[NH+](C)CCNc1cc(N2CCCC2)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000004961916 204097076 /nfs/dbraw/zinc/09/70/76/204097076.db2.gz HLZNXZPTIFGKRE-UHFFFAOYSA-N 1 0 376.460 3.613 50 10 GHCARO COCCC[NH+]1CCC(NC(=O)/C=C/c2cc(C)n(-c3ccccc3)c2C)CC1 ZINC000069415151 205276939 /nfs/dbraw/zinc/27/69/39/205276939.db2.gz QTCYEYIYVOIRSS-ZHACJKMWSA-N 1 0 395.547 3.724 50 10 GHCARO COc1cccc(C(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCCC2)c1 ZINC000013007760 205884754 /nfs/dbraw/zinc/88/47/54/205884754.db2.gz TWYSSHXLZIFHOG-HSZRJFAPSA-N 1 0 393.531 3.645 50 10 GHCARO CCN(C[C@H]1CC[N@H+](CC)C1)C(=O)c1ccc2c(c1)c1c(n2CC)C(=O)CCC1 ZINC000952981787 904666973 /nfs/dbraw/zinc/66/69/73/904666973.db2.gz NUHYZGWDDYVBQD-KRWDZBQOSA-N 1 0 395.547 3.984 50 10 GHCARO CCOc1cccc(C[NH+]2CCC(C(=O)N[C@H](C)c3ccccc3)CC2)c1O ZINC000001179501 570790854 /nfs/dbraw/zinc/79/08/54/570790854.db2.gz UTPUOHDPKJRNIU-QGZVFWFLSA-N 1 0 382.504 3.880 50 10 GHCARO CCOc1cccc(C[NH+]2CCC(C(=O)N[C@@H](C)c3ccccc3)CC2)c1O ZINC000001179500 570790927 /nfs/dbraw/zinc/79/09/27/570790927.db2.gz UTPUOHDPKJRNIU-KRWDZBQOSA-N 1 0 382.504 3.880 50 10 GHCARO COCCC[NH+]1CCC(NC(=O)/C=C\c2cc(C)n(-c3ccccc3)c2C)CC1 ZINC000096257421 860824167 /nfs/dbraw/zinc/82/41/67/860824167.db2.gz QTCYEYIYVOIRSS-KHPPLWFESA-N 1 0 395.547 3.724 50 10 GHCARO COc1ccc(N2C(=O)[n+]3ccccc3C2C(=O)Nc2c(C)cccc2C)cc1 ZINC000005006265 204101954 /nfs/dbraw/zinc/10/19/54/204101954.db2.gz HDUZQMWZSMERDB-NRFANRHFSA-O 1 0 388.447 3.768 50 10 GHCARO CCOc1ccc2nc(N3CCC[N@H+](Cc4ccccc4O)CC3)nc(C)c2c1 ZINC000011784077 204352295 /nfs/dbraw/zinc/35/22/95/204352295.db2.gz AMVOWBRQAWYXEF-UHFFFAOYSA-N 1 0 392.503 3.755 50 10 GHCARO COc1ccc(N2CC[NH+]([C@@H]3CCCN(C(=O)CC4=CCCCC4)C3)CC2)cc1 ZINC000012387832 570652336 /nfs/dbraw/zinc/65/23/36/570652336.db2.gz CJNSXIZMQCHPLZ-JOCHJYFZSA-N 1 0 397.563 3.699 50 10 GHCARO CC[C@H](C)c1ccccc1OC[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000020807203 860646803 /nfs/dbraw/zinc/64/68/03/860646803.db2.gz DRMNDTDVQFZCHW-FPOVZHCZSA-N 1 0 398.547 3.771 50 10 GHCARO COCc1cc(C[NH2+][C@H]2CCCN(Cc3cccc(OC)c3)C2)ccc1OC ZINC000020914052 919671177 /nfs/dbraw/zinc/67/11/77/919671177.db2.gz YSQVNAHKLUOAOJ-NRFANRHFSA-N 1 0 384.520 3.604 50 10 GHCARO CC[NH+]1CCC2(CC1)Oc1c(OC)cccc1[C@@H]1CC(c3ccccc3O)=NN12 ZINC000010214462 221098944 /nfs/dbraw/zinc/09/89/44/221098944.db2.gz CYNQPDVNUARUOJ-IBGZPJMESA-N 1 0 393.487 3.756 50 10 GHCARO CCOc1ccc([N+]2=C3SCCCN3[C@@](O)(c3ccc(Cl)cc3)C2)cc1 ZINC000002965977 570525264 /nfs/dbraw/zinc/52/52/64/570525264.db2.gz RUMUBFWTEUGKIO-FQEVSTJZSA-N 1 0 389.928 3.909 50 10 GHCARO COc1cccc(-c2ccc(O)c(C[NH+]3CCN(c4ccccc4F)CC3)c2)n1 ZINC000014991746 570870379 /nfs/dbraw/zinc/87/03/79/570870379.db2.gz OIOQNRBQDPWJRR-UHFFFAOYSA-N 1 0 393.462 3.924 50 10 GHCARO CC[NH+]1CCC2(CC1)Oc1c(OC)cccc1[C@@H]1CC(c3ccc(O)cc3)=NN12 ZINC000010214582 221098409 /nfs/dbraw/zinc/09/84/09/221098409.db2.gz AZTHIOAKVRRTLW-FQEVSTJZSA-N 1 0 393.487 3.756 50 10 GHCARO O[C@]1(c2cccs2)C[N+](c2ccc(Br)cc2)=C2SCCCN21 ZINC000013635437 570764993 /nfs/dbraw/zinc/76/49/93/570764993.db2.gz XFVLQWKDKBTJAP-INIZCTEOSA-N 1 0 396.355 3.681 50 10 GHCARO Cc1cc(/C=C2\NC(=O)N(Cc3cccc(C)c3)C2=O)c(C)n1-c1cc[nH+]cc1 ZINC000005926751 570804559 /nfs/dbraw/zinc/80/45/59/570804559.db2.gz OFYJSXDSCKNVEW-BKUYFWCQSA-N 1 0 386.455 3.890 50 10 GHCARO CCOc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)cc1 ZINC000008963337 856678269 /nfs/dbraw/zinc/67/82/69/856678269.db2.gz MJTLFZRECXEZBN-QHCPKHFHSA-N 1 0 393.531 3.645 50 10 GHCARO CC[C@H](C)c1ccccc1OC[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000020807209 860646837 /nfs/dbraw/zinc/64/68/37/860646837.db2.gz DRMNDTDVQFZCHW-PZJWPPBQSA-N 1 0 398.547 3.771 50 10 GHCARO CC[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(O)c(OC)c3)=NN12 ZINC000005093400 204111065 /nfs/dbraw/zinc/11/10/65/204111065.db2.gz CYILUWOXRHDJTG-IBGZPJMESA-N 1 0 393.487 3.756 50 10 GHCARO COc1cccc(COC[C@@H](O)C[N@H+](Cc2ccco2)Cc2ccccc2O)c1 ZINC000006082956 204164313 /nfs/dbraw/zinc/16/43/13/204164313.db2.gz HZWXLMBCCIPKQM-FQEVSTJZSA-N 1 0 397.471 3.574 50 10 GHCARO COc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC(=O)N3CC3CCCCC3)C2)c(O)c1 ZINC000012327807 204398525 /nfs/dbraw/zinc/39/85/25/204398525.db2.gz JCXIXERXINSBSD-NQIIRXRSSA-N 1 0 386.536 3.794 50 10 GHCARO CCOc1ccc([C@]2(O)C[N+](c3cccc(C)c3C)=C3SCCCN32)cc1 ZINC000017307549 570703995 /nfs/dbraw/zinc/70/39/95/570703995.db2.gz MGACWSMWVPIEBW-JOCHJYFZSA-N 1 0 383.537 3.873 50 10 GHCARO COc1ccc(N2CCN([C@H]3CCC[N@H+](Cc4cccc(C)c4)C3)CC2)cc1 ZINC000020201721 860514948 /nfs/dbraw/zinc/51/49/48/860514948.db2.gz VEUNYZWAONCPJW-QHCPKHFHSA-N 1 0 379.548 3.790 50 10 GHCARO Oc1ccccc1C[N@@H+]1CCC[C@H](N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000020135003 204702617 /nfs/dbraw/zinc/70/26/17/204702617.db2.gz AGSSPYZOABCNFG-NRFANRHFSA-N 1 0 385.939 3.832 50 10 GHCARO CC[C@@H](CNC(=O)N(C)Cc1ccc(N(C)C)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000058756684 205178607 /nfs/dbraw/zinc/17/86/07/205178607.db2.gz YFMBXUPZVDQXSW-QFIPXVFZSA-N 1 0 394.563 3.731 50 10 GHCARO COc1ccc(N2CCC[N@H+](C[C@H](O)COc3c(C)ccc(C)c3C)CC2)cc1 ZINC000084147786 205393020 /nfs/dbraw/zinc/39/30/20/205393020.db2.gz TVVMLLPSGZRSOX-QFIPXVFZSA-N 1 0 398.547 3.572 50 10 GHCARO CN1CCCc2cc([C@H](CNC(=O)c3ccc(F)cc3)[NH+]3CCCC3)ccc21 ZINC000013008223 536397283 /nfs/dbraw/zinc/39/72/83/536397283.db2.gz KGDWGEDREIRPOF-QFIPXVFZSA-N 1 0 381.495 3.775 50 10 GHCARO COc1ccc(N2CCN([C@H]3CCC[N@H+](CCCc4ccccc4)C3)CC2)cc1 ZINC000023372990 570357657 /nfs/dbraw/zinc/35/76/57/570357657.db2.gz HNOPIVFUYDXTCE-DEOSSOPVSA-N 1 0 393.575 3.914 50 10 GHCARO Oc1ccc2ccccc2c1C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019634461 571022103 /nfs/dbraw/zinc/02/21/03/571022103.db2.gz BYYCTGKXNMJGFF-UHFFFAOYSA-N 1 0 376.456 3.592 50 10 GHCARO CC[NH+](CC)CCCN1C(=O)/C(=C/c2ccc(OC)c(OC)c2)SC1=S ZINC000002361923 856670485 /nfs/dbraw/zinc/67/04/85/856670485.db2.gz CIVSZWOKTLRNRC-LGMDPLHJSA-N 1 0 394.562 3.637 50 10 GHCARO Cc1ccccc1C(=O)NC[C@H](c1ccc2c(c1)CCN2C)[NH+]1CCCCC1 ZINC000013007669 859730054 /nfs/dbraw/zinc/73/00/54/859730054.db2.gz CZXMEJLJCXUJAQ-HSZRJFAPSA-N 1 0 377.532 3.944 50 10 GHCARO Cc1c(CC[NH2+]Cc2cnc(N3CCOCC3)s2)c2cccc3c2n1CCC3 ZINC000952972370 904651912 /nfs/dbraw/zinc/65/19/12/904651912.db2.gz XFWACBVLFLMNCK-UHFFFAOYSA-N 1 0 396.560 3.521 50 10 GHCARO O[C@]1(c2ccccc2)C[N+](c2ccc(Br)cc2)=C2SCCCN21 ZINC000017178366 207086420 /nfs/dbraw/zinc/08/64/20/207086420.db2.gz JPGQJXLJBPAGIL-SFHVURJKSA-N 1 0 390.326 3.620 50 10 GHCARO CCOC(=O)c1ccc(N2C[C@H]3CCCC[N@@H+]3[C@@H]2c2cccc(OC)c2O)cc1 ZINC000004299709 570366463 /nfs/dbraw/zinc/36/64/63/570366463.db2.gz RYOFLBSHVDGRGD-GCJKJVERSA-N 1 0 396.487 3.951 50 10 GHCARO CCOc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)cc1 ZINC000005098031 570417105 /nfs/dbraw/zinc/41/71/05/570417105.db2.gz DBOIRFOIHXNNHH-JOCHJYFZSA-N 1 0 381.520 3.718 50 10 GHCARO COc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3c(O)cccc3OC)C2)c(OC)c1 ZINC000012074044 570604562 /nfs/dbraw/zinc/60/45/62/570604562.db2.gz JQVWVPVJPHHMSD-HNNXBMFYSA-N 1 0 385.460 3.513 50 10 GHCARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Cl)cc(OC)c2O)N3)C1 ZINC000004556399 570883023 /nfs/dbraw/zinc/88/30/23/570883023.db2.gz HOZUUFPYKKEUMS-MRXNPFEDSA-N 1 0 393.896 3.923 50 10 GHCARO Cc1ccc([N+]2=C3SCCCN3[C@](O)(c3ccc(OC(F)F)cc3)C2)cc1 ZINC000004086724 862770601 /nfs/dbraw/zinc/77/06/01/862770601.db2.gz DZVYFNRDYLXMOW-HXUWFJFHSA-N 1 0 391.463 3.767 50 10 GHCARO COc1ccc(N2CCC[N@H+](C[C@@H](O)c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000229507005 222709091 /nfs/dbraw/zinc/70/90/91/222709091.db2.gz NIHCTIPUXCVWPZ-HXUWFJFHSA-N 1 0 394.437 3.960 50 10 GHCARO O[C@@]1(c2ccccc2)C[N+](c2ccc(Br)cc2)=C2SCCCN21 ZINC000017178364 207086524 /nfs/dbraw/zinc/08/65/24/207086524.db2.gz JPGQJXLJBPAGIL-GOSISDBHSA-N 1 0 390.326 3.620 50 10 GHCARO Cc1cccc(CC(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCC2)c1 ZINC000016838240 207079219 /nfs/dbraw/zinc/07/92/19/207079219.db2.gz VVGVKVMTDSTPQD-XMMPIXPASA-N 1 0 391.559 3.873 50 10 GHCARO COc1ccc(N2CCN([C@@H]3CCC[N@H+](Cc4ccc(C)s4)C3)CC2)cc1 ZINC000020166474 207181328 /nfs/dbraw/zinc/18/13/28/207181328.db2.gz QCKRXYZFRYXNEK-HXUWFJFHSA-N 1 0 385.577 3.852 50 10 GHCARO Cc1ccccc1C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)[NH+]1CCCC1 ZINC000013008201 136200692 /nfs/dbraw/zinc/20/06/92/136200692.db2.gz OOQIGYNPYJSIGA-HSZRJFAPSA-N 1 0 377.532 3.944 50 10 GHCARO COc1ccc(N2CC[NH+](CCCNC(=O)Nc3cc(C)ccc3C)CC2)cc1 ZINC000006785733 570592152 /nfs/dbraw/zinc/59/21/52/570592152.db2.gz DZWDWEAZUQNWCD-UHFFFAOYSA-N 1 0 396.535 3.646 50 10 GHCARO COc1cc(Br)c(C[NH2+]Cc2ccc(N(C)C)cc2)cc1OC ZINC000017318060 570704339 /nfs/dbraw/zinc/70/43/39/570704339.db2.gz LTAQTKYIXJHRPU-UHFFFAOYSA-N 1 0 379.298 3.822 50 10 GHCARO Cc1nn(-c2ccccc2)cc1C[NH2+]C1CCN(c2ccc3c(c2)OCO3)CC1 ZINC000906497161 919713310 /nfs/dbraw/zinc/71/33/10/919713310.db2.gz OTQNNPCOUGHMMV-UHFFFAOYSA-N 1 0 390.487 3.668 50 10 GHCARO O=C(Cc1ccccc1)Nc1ccnn1C1CC[NH+](Cc2ccccc2O)CC1 ZINC000014962309 207034626 /nfs/dbraw/zinc/03/46/26/207034626.db2.gz MTUTUMOOBBIXFD-UHFFFAOYSA-N 1 0 390.487 3.607 50 10 GHCARO CCOc1cccc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(OC)cc3OC)C2)c1O ZINC000015068693 207043182 /nfs/dbraw/zinc/04/31/82/207043182.db2.gz DFVWPNPSPHGVAM-INIZCTEOSA-N 1 0 399.487 3.903 50 10 GHCARO Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1cc[nH+]cc1 ZINC000016267077 207074822 /nfs/dbraw/zinc/07/48/22/207074822.db2.gz OSIOXDQPLDGMAV-UDWIEESQSA-N 1 0 390.418 3.721 50 10 GHCARO CCOc1ccc([C@]2(O)C[N+](c3cc(C)ccc3C)=C3SCCCN32)cc1 ZINC000017307533 207087536 /nfs/dbraw/zinc/08/75/36/207087536.db2.gz DPJSBNATTJNQGI-JOCHJYFZSA-N 1 0 383.537 3.873 50 10 GHCARO Oc1cc2c(cc1CN1CC[NH+](Cc3cccc4ccccc43)CC1)OCO2 ZINC000022786004 207260625 /nfs/dbraw/zinc/26/06/25/207260625.db2.gz QVBWBLIGPVXIAQ-UHFFFAOYSA-N 1 0 376.456 3.592 50 10 GHCARO CN1CCCc2cc([C@H](CNC(=O)c3ccc(F)c(F)c3)[NH+]3CCCC3)ccc21 ZINC000013008251 536397785 /nfs/dbraw/zinc/39/77/85/536397785.db2.gz HCEFOGUTZVATCD-QFIPXVFZSA-N 1 0 399.485 3.914 50 10 GHCARO CN(C)c1ccc([C@@H](CNC(=O)c2cccc(Br)c2)[NH+](C)C)cc1 ZINC000005097764 570417017 /nfs/dbraw/zinc/41/70/17/570417017.db2.gz IAAAPEWRPTXVBH-GOSISDBHSA-N 1 0 390.325 3.548 50 10 GHCARO CCOc1cccc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(OC)c(OC)c3)C2)c1O ZINC000012386231 570651257 /nfs/dbraw/zinc/65/12/57/570651257.db2.gz XVBXHORWHMJPDR-KRWDZBQOSA-N 1 0 399.487 3.903 50 10 GHCARO CN1CCc2cc([C@@H](CNC(=O)CCc3ccccc3)[NH+]3CCCCC3)ccc21 ZINC000013007734 859730212 /nfs/dbraw/zinc/73/02/12/859730212.db2.gz NDUQMWFUUHVYRR-XMMPIXPASA-N 1 0 391.559 3.955 50 10 GHCARO CC1(C)Cc2cc(C[NH2+]Cc3ccc(N4CCC(O)CC4)c(F)c3)ccc2O1 ZINC000105422657 206244518 /nfs/dbraw/zinc/24/45/18/206244518.db2.gz CVZQPGTVUTYTEV-UHFFFAOYSA-N 1 0 384.495 3.790 50 10 GHCARO OCC[C@H]1CN(Cc2cc(Cl)ccc2O)CC[N@@H+]1CCCc1ccccc1 ZINC000019635751 207144434 /nfs/dbraw/zinc/14/44/34/207144434.db2.gz VJXUNKKGEDZDFP-NRFANRHFSA-N 1 0 388.939 3.547 50 10 GHCARO COc1ccc(N2CC[NH+](Cc3cc(-c4ccccn4)ccc3O)CC2)cc1 ZINC000064015120 136156724 /nfs/dbraw/zinc/15/67/24/136156724.db2.gz VFJRHXAGVHEMJT-UHFFFAOYSA-N 1 0 375.472 3.785 50 10 GHCARO COc1ccc(COC[C@@H](O)C[N@H+](Cc2ccco2)Cc2ccccc2O)cc1 ZINC000006082938 570238799 /nfs/dbraw/zinc/23/87/99/570238799.db2.gz UTHQOGRCZCRLBQ-FQEVSTJZSA-N 1 0 397.471 3.574 50 10 GHCARO Cc1ccc(C)n1-c1ccc(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000053990753 570436836 /nfs/dbraw/zinc/43/68/36/570436836.db2.gz GOTPPDXWMVRMFB-UHFFFAOYSA-N 1 0 388.515 3.884 50 10 GHCARO COc1ccc([N+]2=C3SCCCN3[C@@](O)(c3ccc(Cl)cc3)C2)cc1 ZINC000002965935 570525189 /nfs/dbraw/zinc/52/51/89/570525189.db2.gz ZBXMHEHVAWOJHT-IBGZPJMESA-N 1 0 375.901 3.519 50 10 GHCARO CCOCc1cc(C[NH2+][C@@H]2CCCc3c2cnn3-c2ccccn2)ccc1OC ZINC000012304439 570638179 /nfs/dbraw/zinc/63/81/79/570638179.db2.gz LUAPCLLUHBRDPM-HXUWFJFHSA-N 1 0 392.503 3.980 50 10 GHCARO CN1CCc2cc([C@H](CNC(=O)c3cccc(Cl)c3)[NH+]3CCCC3)ccc21 ZINC000008963334 856678140 /nfs/dbraw/zinc/67/81/40/856678140.db2.gz XXUWZXZSPUJVGT-NRFANRHFSA-N 1 0 383.923 3.899 50 10 GHCARO Cc1cccc(C(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCCC2)c1 ZINC000013007798 859730240 /nfs/dbraw/zinc/73/02/40/859730240.db2.gz RYKJADPZSGZFHK-HSZRJFAPSA-N 1 0 377.532 3.944 50 10 GHCARO Cc1cccc([N+]2=C3SCCCN3[C@](O)(c3ccc(OC(F)F)cc3)C2)c1 ZINC000002966119 206449842 /nfs/dbraw/zinc/44/98/42/206449842.db2.gz BIGITDJCOHJDSV-HXUWFJFHSA-N 1 0 391.463 3.767 50 10 GHCARO CCCCOc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1 ZINC000005097868 206591003 /nfs/dbraw/zinc/59/10/03/206591003.db2.gz QSQORAKFPTUFHM-JOCHJYFZSA-N 1 0 383.536 3.964 50 10 GHCARO CCOc1ccc([C@@]2(O)CN(c3ccc(Cl)cc3)C3=[N+]2CCCS3)cc1 ZINC000017307539 207087996 /nfs/dbraw/zinc/08/79/96/207087996.db2.gz SGHFRVFVJAVDIR-FQEVSTJZSA-N 1 0 389.928 3.909 50 10 GHCARO COc1ccc(N2CC[NH+](C[C@@H](O)COc3ccccc3C(C)(C)C)CC2)cc1 ZINC000020347319 207188087 /nfs/dbraw/zinc/18/80/87/207188087.db2.gz KOPOEFLWKCWVCH-HXUWFJFHSA-N 1 0 398.547 3.555 50 10 GHCARO CC[C@@H](C)c1ccccc1OC[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000020807200 207215204 /nfs/dbraw/zinc/21/52/04/207215204.db2.gz DRMNDTDVQFZCHW-CTNGQTDRSA-N 1 0 398.547 3.771 50 10 GHCARO COc1cccc2c1OC1(CC[NH+](C)CC1)N1N=C(c3cc(C)ccc3O)C[C@@H]21 ZINC000010214496 857420185 /nfs/dbraw/zinc/42/01/85/857420185.db2.gz ABTSMSBRYGFSQH-IBGZPJMESA-N 1 0 393.487 3.675 50 10 GHCARO CCOC(=O)c1c(-c2ccccc2)oc2ccc(O)c(C[NH+]3CCN(C)CC3)c21 ZINC000019789447 206296496 /nfs/dbraw/zinc/29/64/96/206296496.db2.gz JXOJPBJBHDCLFP-UHFFFAOYSA-N 1 0 394.471 3.730 50 10 GHCARO COc1ccc([C@@H](c2ccc3c(OC)cccc3c2O)[NH+]2CCN(C)CC2)cc1 ZINC000022935330 207264622 /nfs/dbraw/zinc/26/46/22/207264622.db2.gz SHGIENHXAMWUBU-QHCPKHFHSA-N 1 0 392.499 3.899 50 10 GHCARO COC(=O)c1ccc([C@H](c2c(O)ccc3ccccc32)[NH+]2CCOCC2)cc1 ZINC000025561815 207304695 /nfs/dbraw/zinc/30/46/95/207304695.db2.gz YMCQRYCRSDWBJA-JOCHJYFZSA-N 1 0 377.440 3.754 50 10 GHCARO COc1ccc(C[N@@H+]2CCCN(c3cc(-c4ccccc4)[nH]n3)CC2)c(O)c1 ZINC000096398131 208315117 /nfs/dbraw/zinc/31/51/17/208315117.db2.gz PCLFZXRLRVRXOX-UHFFFAOYSA-N 1 0 378.476 3.503 50 10 GHCARO CN1CCCc2cc([C@@H](CNC(=O)c3ccc(F)c(F)c3)[NH+]3CCCC3)ccc21 ZINC000013008248 536397506 /nfs/dbraw/zinc/39/75/06/536397506.db2.gz HCEFOGUTZVATCD-JOCHJYFZSA-N 1 0 399.485 3.914 50 10 GHCARO CN(C)c1ccc([C@H](CNC(=O)c2ccc(Br)cc2)[NH+](C)C)cc1 ZINC000005097769 570416986 /nfs/dbraw/zinc/41/69/86/570416986.db2.gz SWWKHGVQLBBHBT-SFHVURJKSA-N 1 0 390.325 3.548 50 10 GHCARO CCOc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1OCC ZINC000005097753 571040203 /nfs/dbraw/zinc/04/02/03/571040203.db2.gz LMWPFNPDKFVRSR-FQEVSTJZSA-N 1 0 399.535 3.583 50 10 GHCARO Cc1cc(C(=O)CSc2nc(N)cc(N)[nH+]2)c(C)n1-c1ccc(C)c(C)c1 ZINC000003524590 862468446 /nfs/dbraw/zinc/46/84/46/862468446.db2.gz MIKLKIRTUJVMQI-UHFFFAOYSA-N 1 0 381.505 3.640 50 10 GHCARO C[N@H+](CC(=O)NC(C)(C)C)Cc1c(O)ccc2cc(Br)ccc21 ZINC000008147863 856011275 /nfs/dbraw/zinc/01/12/75/856011275.db2.gz HIXHFPYGKMTBTG-UHFFFAOYSA-N 1 0 379.298 3.654 50 10 GHCARO CN1CCc2cc([C@H](CNC(=O)c3c(F)cccc3F)[NH+]3CCCC3)ccc21 ZINC000008963238 856678312 /nfs/dbraw/zinc/67/83/12/856678312.db2.gz BBIMNCFVDBVUBG-FQEVSTJZSA-N 1 0 385.458 3.524 50 10 GHCARO CCOc1ccccc1C(=O)NC[C@H](c1ccc2c(c1)CCN2C)[NH+]1CCCC1 ZINC000008963228 856678572 /nfs/dbraw/zinc/67/85/72/856678572.db2.gz HEYLJOHIYCXWLO-JOCHJYFZSA-N 1 0 393.531 3.645 50 10 GHCARO COc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCCC2)cc1 ZINC000013007667 859730040 /nfs/dbraw/zinc/73/00/40/859730040.db2.gz UHZULVIZUSFVKB-QHCPKHFHSA-N 1 0 393.531 3.645 50 10 GHCARO COc1ccc(CCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)cc1 ZINC000005097944 570417139 /nfs/dbraw/zinc/41/71/39/570417139.db2.gz UOMNUIIAQRDJTI-QHCPKHFHSA-N 1 0 395.547 3.647 50 10 GHCARO CCOc1ccc([N+]2=C3SCCCN3[C@](O)(c3ccc(Cl)cc3)C2)cc1 ZINC000002965979 570525200 /nfs/dbraw/zinc/52/52/00/570525200.db2.gz RUMUBFWTEUGKIO-HXUWFJFHSA-N 1 0 389.928 3.909 50 10 GHCARO COc1ccc([C@]2(O)CN(c3ccc(Cl)cc3)C3=[N+]2CCCS3)c(F)c1 ZINC000002966033 570525385 /nfs/dbraw/zinc/52/53/85/570525385.db2.gz KSGUXUSTSJJXOX-LJQANCHMSA-N 1 0 393.891 3.658 50 10 GHCARO COc1ccc(N2CC[NH+]([C@H]3CCCN(C(=O)CC4=CCCCC4)C3)CC2)cc1 ZINC000012387833 570652418 /nfs/dbraw/zinc/65/24/18/570652418.db2.gz CJNSXIZMQCHPLZ-QFIPXVFZSA-N 1 0 397.563 3.699 50 10 GHCARO O[C@@]1(c2cccs2)C[N+](c2ccc(Br)cc2)=C2SCCCN21 ZINC000013635433 570765119 /nfs/dbraw/zinc/76/51/19/570765119.db2.gz XFVLQWKDKBTJAP-MRXNPFEDSA-N 1 0 396.355 3.681 50 10 GHCARO COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000009468406 857207121 /nfs/dbraw/zinc/20/71/21/857207121.db2.gz OIJGLIJTJIWHRP-HSZRJFAPSA-N 1 0 395.547 3.995 50 10 GHCARO CCOC(=O)c1c(C)n(-c2cccc(OC)c2)c2ccc(O)c(C[NH+](C)C)c21 ZINC000095763236 860663832 /nfs/dbraw/zinc/66/38/32/860663832.db2.gz ZQZXRYDAPMTXER-UHFFFAOYSA-N 1 0 382.460 3.891 50 10 GHCARO COc1cccc([C@H]2CC(c3ccc(Cl)cc3)=NC3(CC[NH+](C)CC3)N2)c1O ZINC000065298175 207860248 /nfs/dbraw/zinc/86/02/48/207860248.db2.gz MBDAHONYLIFXBD-LJQANCHMSA-N 1 0 399.922 4.000 50 10 biogenic GHCARO CN(C)c1ccc([C@H](CNC(=O)Cc2cccc3ccccc32)[NH+](C)C)cc1 ZINC000005097799 570417169 /nfs/dbraw/zinc/41/71/69/570417169.db2.gz QVKPANHKYGHYNJ-QHCPKHFHSA-N 1 0 375.516 3.867 50 10 GHCARO Cc1cc(C(=O)CSc2nc(N)cc(N)[nH+]2)c(C)n1-c1ccc(Cl)cc1 ZINC000006533257 570469085 /nfs/dbraw/zinc/46/90/85/570469085.db2.gz OKBYMROBWPOMJF-UHFFFAOYSA-N 1 0 387.896 3.677 50 10 GHCARO COc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3c(O)cccc3OC)C2)cc1OC ZINC000011815897 570583784 /nfs/dbraw/zinc/58/37/84/570583784.db2.gz AEUXFRBKTCGNTK-INIZCTEOSA-N 1 0 385.460 3.513 50 10 GHCARO COc1ccccc1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+]1CCCC1 ZINC000022418411 861116505 /nfs/dbraw/zinc/11/65/05/861116505.db2.gz FULHDPGLMZEWEN-HXUWFJFHSA-N 1 0 382.508 3.720 50 10 GHCARO COc1ccc(N2CC[NH+](C[C@](C)(O)c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000058322919 136155320 /nfs/dbraw/zinc/15/53/20/136155320.db2.gz YTPMZQWPRQMQET-FQEVSTJZSA-N 1 0 394.437 3.744 50 10 GHCARO C[NH+]1CCN(c2ccc(CNC(=O)CCc3cccc4ccccc43)cc2)CC1 ZINC000067338883 136164661 /nfs/dbraw/zinc/16/46/61/136164661.db2.gz OSQISIWRONLNHG-UHFFFAOYSA-N 1 0 387.527 3.841 50 10 GHCARO COc1ccc(N2CCC([N@@H+]3CC[C@@H](Cc4cccc(CO)c4)C3)CC2)cc1 ZINC000092019851 536670505 /nfs/dbraw/zinc/67/05/05/536670505.db2.gz OLBYYBGZZFMJNC-FQEVSTJZSA-N 1 0 380.532 3.721 50 10 GHCARO COc1cccc(C[NH+]2CCC(C(=O)NCc3ccccc3Cl)CC2)c1O ZINC000006407519 570383769 /nfs/dbraw/zinc/38/37/69/570383769.db2.gz IWSXJMLCBZSJJW-UHFFFAOYSA-N 1 0 388.895 3.583 50 10 GHCARO O=C1CC[N@H+](Cc2c(O)ccc3ccccc32)CCN1Cc1cccc(F)c1 ZINC000012245573 570630918 /nfs/dbraw/zinc/63/09/18/570630918.db2.gz XBIRIURKNKEAHN-UHFFFAOYSA-N 1 0 378.447 3.919 50 10 GHCARO CN1CC[NH+]([C@@H]2Cc3ccccc3Sc3ccc(N4CCOCC4)cc32)CC1 ZINC000095696715 856471419 /nfs/dbraw/zinc/47/14/19/856471419.db2.gz BPSRTAPGDDZPEC-OAQYLSRUSA-N 1 0 395.572 3.519 50 10 GHCARO COc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000009468407 857207551 /nfs/dbraw/zinc/20/75/51/857207551.db2.gz OIJGLIJTJIWHRP-QHCPKHFHSA-N 1 0 395.547 3.995 50 10 GHCARO CCc1ccc([N+]2=C3SCCCN3[C@@](O)(c3ccc(OC)cc3F)C2)cc1 ZINC000002965920 860421579 /nfs/dbraw/zinc/42/15/79/860421579.db2.gz LDZVQOLOTHMHKP-NRFANRHFSA-N 1 0 387.500 3.567 50 10 GHCARO COc1ccc2ccc(O)c(C[N@H+]3Cc4c(OC)ccc(OC)c4[C@H](O)C3)c2c1 ZINC000029543444 207364027 /nfs/dbraw/zinc/36/40/27/207364027.db2.gz QMLZSWNIQROQSL-HXUWFJFHSA-N 1 0 395.455 3.620 50 10 GHCARO COc1ccccc1COC[C@@H](O)C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000057949439 136154239 /nfs/dbraw/zinc/15/42/39/136154239.db2.gz VKFORMKXOCEHBK-QHCPKHFHSA-N 1 0 398.547 3.695 50 10 GHCARO COc1ccc(N2CCC([N@@H+]3CC[C@H](Cc4cccc(CO)c4)C3)CC2)cc1 ZINC000092019844 536670702 /nfs/dbraw/zinc/67/07/02/536670702.db2.gz OLBYYBGZZFMJNC-HXUWFJFHSA-N 1 0 380.532 3.721 50 10 GHCARO O=C(CCC1CC[NH+](Cc2cc(Cl)ccc2O)CC1)NCc1cccnc1 ZINC000011820957 570586139 /nfs/dbraw/zinc/58/61/39/570586139.db2.gz WANZMEGAJJVLMH-UHFFFAOYSA-N 1 0 387.911 3.749 50 10 GHCARO COc1ccc(C[NH+]2CCC(CO)(Cc3ccc(Cl)cc3)CC2)c(O)c1 ZINC000012713483 570703274 /nfs/dbraw/zinc/70/32/74/570703274.db2.gz VQDIALZMVFFXOU-UHFFFAOYSA-N 1 0 375.896 3.871 50 10 GHCARO C[NH+]1CCN(c2ccc(CNC(=O)C3(c4ccccc4)CCCC3)cc2)CC1 ZINC000071375471 570832401 /nfs/dbraw/zinc/83/24/01/570832401.db2.gz POKWLUWIXABNMP-UHFFFAOYSA-N 1 0 377.532 3.567 50 10 GHCARO CCOC(=O)c1ccc(N2C[C@H]3CCCC[N@@H+]3[C@H]2c2cccc(OC)c2O)cc1 ZINC000248320329 206282000 /nfs/dbraw/zinc/28/20/00/206282000.db2.gz RYOFLBSHVDGRGD-XMSQKQJNSA-N 1 0 396.487 3.951 50 10 GHCARO COc1ccc([C@@]2(O)CN(c3ccc(Cl)cc3)C3=[N+]2CCCS3)c(F)c1 ZINC000002966030 206449986 /nfs/dbraw/zinc/44/99/86/206449986.db2.gz KSGUXUSTSJJXOX-IBGZPJMESA-N 1 0 393.891 3.658 50 10 GHCARO Oc1ccc(-c2cnccn2)cc1C[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000012206166 570626026 /nfs/dbraw/zinc/62/60/26/570626026.db2.gz CQQULPJNMWFCQR-UHFFFAOYSA-N 1 0 395.890 3.986 50 10 GHCARO CCOc1ccc(C[NH2+][C@H]2CCCN(c3nc4ccccc4s3)C2)cc1CO ZINC000012709696 570702189 /nfs/dbraw/zinc/70/21/89/570702189.db2.gz MQNVGQMGCBGHNG-SFHVURJKSA-N 1 0 397.544 3.946 50 10 GHCARO COc1cccc(C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCCC2)c1 ZINC000013007761 859730106 /nfs/dbraw/zinc/73/01/06/859730106.db2.gz TWYSSHXLZIFHOG-QHCPKHFHSA-N 1 0 393.531 3.645 50 10 GHCARO C[NH+]1CCC2(CC1)N=C(c1ccccc1O)C[C@@H](c1cc(Cl)ccc1O)N2 ZINC000015830400 207063374 /nfs/dbraw/zinc/06/33/74/207063374.db2.gz YVFYVFRJJYUSQQ-SFHVURJKSA-N 1 0 385.895 3.697 50 10 GHCARO CN(C)c1ccc(/C=C/C[N@H+]2CCc3nnc(Cc4ccccc4)n3CC2)cc1 ZINC000019595605 207144372 /nfs/dbraw/zinc/14/43/72/207144372.db2.gz MJHMERGVQNIVAR-RMKNXTFCSA-N 1 0 387.531 3.506 50 10 GHCARO COc1ccc(N2CC[NH+](CCCNc3nc4ccccc4s3)CC2)cc1 ZINC000026761330 207320166 /nfs/dbraw/zinc/32/01/66/207320166.db2.gz ZNOGRQCUYMXCNG-UHFFFAOYSA-N 1 0 382.533 3.929 50 10 GHCARO Cc1ccccc1[N+]1=C2SCCCN2[C@](O)(c2ccc(OC(F)F)cc2)C1 ZINC000002966079 570525352 /nfs/dbraw/zinc/52/53/52/570525352.db2.gz PRWYSFWWHSEJLL-HXUWFJFHSA-N 1 0 391.463 3.767 50 10 GHCARO CC[C@H](CNC(=O)N(C)Cc1ccc(N(C)C)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000058756685 570735572 /nfs/dbraw/zinc/73/55/72/570735572.db2.gz YFMBXUPZVDQXSW-JOCHJYFZSA-N 1 0 394.563 3.731 50 10 GHCARO CN1CCc2cc([C@@H](CNC(=O)CCc3ccccc3)[NH+]3CCCC3)ccc21 ZINC000008963303 856678619 /nfs/dbraw/zinc/67/86/19/856678619.db2.gz FJAHARSEJTZAPY-HSZRJFAPSA-N 1 0 377.532 3.565 50 10 GHCARO CCC[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3cc(O)ccc3O)=NN12 ZINC000010214226 206374835 /nfs/dbraw/zinc/37/48/35/206374835.db2.gz KRWHOTIMQFGYOZ-FQEVSTJZSA-N 1 0 393.487 3.843 50 10 GHCARO COc1cc(C[NH2+]Cc2cc(-c3cccnc3)ccc2O)cc(OC)c1OC ZINC000299783732 209089037 /nfs/dbraw/zinc/08/90/37/209089037.db2.gz XWDKAHUFUYTXGT-UHFFFAOYSA-N 1 0 380.444 3.770 50 10 GHCARO CCc1ccc([N+]2=C3SCCCN3[C@](O)(c3ccc(OC)cc3F)C2)cc1 ZINC000002965923 570525232 /nfs/dbraw/zinc/52/52/32/570525232.db2.gz LDZVQOLOTHMHKP-OAQYLSRUSA-N 1 0 387.500 3.567 50 10 GHCARO COc1ccc(N2CCC[N@H+](C[C@@H](O)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000229506985 570664802 /nfs/dbraw/zinc/66/48/02/570664802.db2.gz HIMZRBGZZPIVCU-HXUWFJFHSA-N 1 0 394.437 3.960 50 10 GHCARO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCc3sccc3[C@@H]2C2CC2)cc1 ZINC000007255665 570821319 /nfs/dbraw/zinc/82/13/19/570821319.db2.gz VESKIFVZZIVEGF-QFIPXVFZSA-N 1 0 383.561 3.782 50 10 GHCARO CC[NH+]1CCC2(CC1)Oc1c(OC)cccc1[C@H]1CC(c3ccc(O)cc3)=NN12 ZINC000010214585 206373986 /nfs/dbraw/zinc/37/39/86/206373986.db2.gz AZTHIOAKVRRTLW-HXUWFJFHSA-N 1 0 393.487 3.756 50 10 GHCARO CN1CCCc2cc([C@@H](CNC(=O)Cc3cccs3)[NH+]3CCCC3)ccc21 ZINC000013008215 136200679 /nfs/dbraw/zinc/20/06/79/136200679.db2.gz UBSHGFSCJFMFEK-OAQYLSRUSA-N 1 0 383.561 3.626 50 10 GHCARO COc1cccc(C[NH+]2CCC(N(C(C)=O)c3ccc(C)c(F)c3)CC2)c1O ZINC000034683628 570301465 /nfs/dbraw/zinc/30/14/65/570301465.db2.gz SNEJZJNSDYLDPL-UHFFFAOYSA-N 1 0 386.467 3.866 50 10 GHCARO Cc1cc(=O)oc2c(C)c([O-])c(C[N@H+](C)C[C@@H]3CCC[NH+]4CCCC[C@H]34)cc12 ZINC000524730019 570420651 /nfs/dbraw/zinc/42/06/51/570420651.db2.gz RIJRAOMXGWECHM-FXAWDEMLSA-N 1 0 384.520 3.812 50 10 biogenic GHCARO O[C@]1(c2ccc(Br)cc2)CN(c2ccccc2)C2=[N+]1CCCS2 ZINC000012602793 570690046 /nfs/dbraw/zinc/69/00/46/570690046.db2.gz CVEUBCXSZVJWSJ-SFHVURJKSA-N 1 0 390.326 3.620 50 10 GHCARO Cc1ccccc1C(=O)Nc1ccnn1C1CC[NH+](Cc2ccccc2O)CC1 ZINC000012711993 570702662 /nfs/dbraw/zinc/70/26/62/570702662.db2.gz OBIJYUYKCHYTGV-UHFFFAOYSA-N 1 0 390.487 3.987 50 10 GHCARO COc1cccc([C@@H]2CC(c3ccc(C)cc3)=NC3(CC[NH+](C)CC3)N2)c1O ZINC000065298149 570787354 /nfs/dbraw/zinc/78/73/54/570787354.db2.gz AKIKKCDEJQNKDY-FQEVSTJZSA-N 1 0 379.504 3.655 50 10 biogenic GHCARO CCOc1ccc(-c2c[nH+]c(NCc3cccc(OC)c3O)n2CCOC)cc1 ZINC000004679313 570825247 /nfs/dbraw/zinc/82/52/47/570825247.db2.gz NJVVUORWGQEFJR-UHFFFAOYSA-N 1 0 397.475 3.922 50 10 GHCARO COc1ccc([C@@]2(O)C[N+](c3cc(C)ccc3C)=C3SCCCN32)c(F)c1 ZINC000002965851 206450280 /nfs/dbraw/zinc/45/02/80/206450280.db2.gz NWCJKZDJELDKPF-NRFANRHFSA-N 1 0 387.500 3.622 50 10 GHCARO COc1ccc(N2CCC[N@H+](C[C@@H](O)COc3c(C)ccc(C)c3C)CC2)cc1 ZINC000084147784 208087747 /nfs/dbraw/zinc/08/77/47/208087747.db2.gz TVVMLLPSGZRSOX-JOCHJYFZSA-N 1 0 398.547 3.572 50 10 GHCARO COc1ccc(N2CCC([N@@H+]3CCC[C@@H](CCC(=O)N4CCCC4)C3)CC2)cc1 ZINC000039387710 536670823 /nfs/dbraw/zinc/67/08/23/536670823.db2.gz JRPYTPFYHAQWOM-FQEVSTJZSA-N 1 0 399.579 3.779 50 10 GHCARO CN1CCc2cc([C@H](CNC(=O)Cc3ccc(Cl)cc3)[NH+]3CCCC3)ccc21 ZINC000008963240 570210058 /nfs/dbraw/zinc/21/00/58/570210058.db2.gz DLNDXDXHJQQDBD-QFIPXVFZSA-N 1 0 397.950 3.828 50 10 GHCARO CCOc1cccc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(OC)c(OC)c3)C2)c1O ZINC000012386230 570651228 /nfs/dbraw/zinc/65/12/28/570651228.db2.gz XVBXHORWHMJPDR-QGZVFWFLSA-N 1 0 399.487 3.903 50 10 GHCARO CC[C@H](C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1)c1ccccc1 ZINC000032765338 570802935 /nfs/dbraw/zinc/80/29/35/570802935.db2.gz QHZWPBHQFHPATF-QHCPKHFHSA-N 1 0 395.547 3.517 50 10 GHCARO Cc1ccc(C(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)cc1C ZINC000008963336 856678491 /nfs/dbraw/zinc/67/84/91/856678491.db2.gz YYSOUVOUFWZKPX-HSZRJFAPSA-N 1 0 377.532 3.863 50 10 GHCARO COc1ccc(N2CCC([NH2+]CCN3CC[C@H](c4ccccc4)C3)CC2)cc1 ZINC000824678969 864099223 /nfs/dbraw/zinc/09/92/23/864099223.db2.gz DGVKINXEUTVDGZ-NRFANRHFSA-N 1 0 379.548 3.743 50 10 GHCARO COc1ccc(C[NH2+]C[C@@]2(c3ccccc3)CC2(C)C)cc1Cn1cncn1 ZINC000952869229 904634066 /nfs/dbraw/zinc/63/40/66/904634066.db2.gz MRZGYFOZEKHUFJ-HSZRJFAPSA-N 1 0 376.504 3.793 50 10 GHCARO COc1ccccc1COC[C@H](O)C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000057949443 136154236 /nfs/dbraw/zinc/15/42/36/136154236.db2.gz VKFORMKXOCEHBK-HSZRJFAPSA-N 1 0 398.547 3.695 50 10 GHCARO COc1ccc(N2CCN([C@H](C)C(=O)c3c[nH]c4ccccc43)C[C@@H]2C)cc1 ZINC000217460866 570368867 /nfs/dbraw/zinc/36/88/67/570368867.db2.gz QBWWYEMWPYCDIA-DLBZAZTESA-N 1 0 377.488 3.958 50 10 GHCARO CC[NH+]1CCC2(CC1)N=C(c1ccccc1)C[C@@H](c1cccc(OC)c1O)N2 ZINC000065298170 570787425 /nfs/dbraw/zinc/78/74/25/570787425.db2.gz LDWHRFGVDJIWFW-FQEVSTJZSA-N 1 0 379.504 3.737 50 10 biogenic GHCARO CC(C)[NH+]1CCC2(CC1)N=C(c1ccccc1O)C[C@@H](c1ccccc1O)N2 ZINC000080324866 211157914 /nfs/dbraw/zinc/15/79/14/211157914.db2.gz ZJYVMECYMISWOH-IBGZPJMESA-N 1 0 379.504 3.822 50 10 GHCARO CC(=O)Nc1ccc([C@@H]2c3[nH]cnc3CC[N@H+]2Cc2cc(C)ccc2O)cc1 ZINC000067885668 211026783 /nfs/dbraw/zinc/02/67/83/211026783.db2.gz WGTGETUUEAWHGB-JOCHJYFZSA-N 1 0 376.460 3.530 50 10 GHCARO CCOc1cccc([C@@H]2CC(c3ccccc3)=NC3(CC[NH+](C)CC3)N2)c1O ZINC000065298334 210986320 /nfs/dbraw/zinc/98/63/20/210986320.db2.gz SZMJCSOWCLQJPD-FQEVSTJZSA-N 1 0 379.504 3.737 50 10 biogenic GHCARO COc1cccc(COC[C@H](O)C[N@H+](Cc2ccco2)Cc2ccccc2O)c1 ZINC000006082952 570238960 /nfs/dbraw/zinc/23/89/60/570238960.db2.gz HZWXLMBCCIPKQM-HXUWFJFHSA-N 1 0 397.471 3.574 50 10 GHCARO CCOc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)cc1 ZINC000005098030 570417199 /nfs/dbraw/zinc/41/71/99/570417199.db2.gz DBOIRFOIHXNNHH-QFIPXVFZSA-N 1 0 381.520 3.718 50 10 GHCARO CCOc1ccc(N2C[C@](O)(c3ccc(C)cc3C)[N+]3=C2SCCC3)cc1 ZINC000002965990 570525226 /nfs/dbraw/zinc/52/52/26/570525226.db2.gz WZHJAWGKKDXHFQ-QFIPXVFZSA-N 1 0 383.537 3.873 50 10 GHCARO Cc1ccccc1[N+]1=C2SCCCN2[C@@](O)(c2ccc(OC(F)F)cc2)C1 ZINC000002966077 570525277 /nfs/dbraw/zinc/52/52/77/570525277.db2.gz PRWYSFWWHSEJLL-FQEVSTJZSA-N 1 0 391.463 3.767 50 10 GHCARO COc1ccc(N2CCN(C(=O)c3ccc(C[NH+]4CCCCC4)cc3)CC2)cc1 ZINC000010113914 570566087 /nfs/dbraw/zinc/56/60/87/570566087.db2.gz ZIIKNUXROBSEON-UHFFFAOYSA-N 1 0 393.531 3.644 50 10 GHCARO CCOc1ccc([C@@]2(O)C[N+](c3cc(C)ccc3C)=C3SCCCN32)cc1 ZINC000017307531 210208274 /nfs/dbraw/zinc/20/82/74/210208274.db2.gz DPJSBNATTJNQGI-QFIPXVFZSA-N 1 0 383.537 3.873 50 10 GHCARO CCOc1ccc([C@@]2(O)C[N+](c3cccc(C)c3C)=C3SCCCN32)cc1 ZINC000017307547 210207478 /nfs/dbraw/zinc/20/74/78/210207478.db2.gz MGACWSMWVPIEBW-QFIPXVFZSA-N 1 0 383.537 3.873 50 10 GHCARO COC(=O)c1cc2ccccc2c(C[NH+]2CCN(c3ccccc3F)CC2)c1O ZINC000016834508 210198712 /nfs/dbraw/zinc/19/87/12/210198712.db2.gz SYZMKAQIDKTKGE-UHFFFAOYSA-N 1 0 394.446 3.793 50 10 GHCARO CN1CCCc2cc([C@H](CNC(=O)Cc3cccs3)[NH+]3CCCC3)ccc21 ZINC000013008218 536397189 /nfs/dbraw/zinc/39/71/89/536397189.db2.gz UBSHGFSCJFMFEK-NRFANRHFSA-N 1 0 383.561 3.626 50 10 GHCARO CN1CCCc2cc([C@@H](CNC(=O)c3c(F)cccc3F)[NH+]3CCCC3)ccc21 ZINC000013008205 536397348 /nfs/dbraw/zinc/39/73/48/536397348.db2.gz PKMFIQVSBLCNTJ-OAQYLSRUSA-N 1 0 399.485 3.914 50 10 GHCARO COc1ccc([C@H](c2ccc3c(OC)cccc3c2O)[NH+]2CCN(C)CC2)cc1 ZINC000022935327 570338125 /nfs/dbraw/zinc/33/81/25/570338125.db2.gz SHGIENHXAMWUBU-HSZRJFAPSA-N 1 0 392.499 3.899 50 10 GHCARO CCOc1ccccc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+]1CCCC1 ZINC000005097930 570417163 /nfs/dbraw/zinc/41/71/63/570417163.db2.gz PAPNCNAFFUOQLQ-OAQYLSRUSA-N 1 0 381.520 3.718 50 10 GHCARO COc1ccc(N2CC[NH+](C[C@H](O)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000051092647 570799143 /nfs/dbraw/zinc/79/91/43/570799143.db2.gz VCSNTPALGPDVIM-IBGZPJMESA-N 1 0 380.410 3.570 50 10 GHCARO CN1CCc2cc([C@@H](CNC(=O)c3c(F)cccc3F)[NH+]3CCCC3)ccc21 ZINC000008963237 856678173 /nfs/dbraw/zinc/67/81/73/856678173.db2.gz BBIMNCFVDBVUBG-HXUWFJFHSA-N 1 0 385.458 3.524 50 10 GHCARO CCOC(=O)c1c(C)n(-c2ccc(OC)cc2)c2ccc(O)c(C[NH+](C)C)c21 ZINC000000755626 209264001 /nfs/dbraw/zinc/26/40/01/209264001.db2.gz UJYXJHAUJAVUPS-UHFFFAOYSA-N 1 0 382.460 3.891 50 10 GHCARO Cc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)cc1C ZINC000008963335 856678300 /nfs/dbraw/zinc/67/83/00/856678300.db2.gz YYSOUVOUFWZKPX-QHCPKHFHSA-N 1 0 377.532 3.863 50 10 GHCARO CN1CCc2cc([C@@H](CNC(=O)c3ccccc3F)[NH+]3CCCCC3)ccc21 ZINC000013007708 859730148 /nfs/dbraw/zinc/73/01/48/859730148.db2.gz WANJVHDOKOQNHW-JOCHJYFZSA-N 1 0 381.495 3.775 50 10 GHCARO COc1ccc(N2CCC([N@H+](C)C[C@H]3Cc4ccccc4CN3C)CC2)cc1 ZINC000952982300 904668556 /nfs/dbraw/zinc/66/85/56/904668556.db2.gz GMWRWVSXIACHMO-HSZRJFAPSA-N 1 0 379.548 3.653 50 10 GHCARO CCOc1cccc2c1OC1(CC[NH+](C)CC1)N1N=C(c3ccccc3O)C[C@H]21 ZINC000064688572 570519691 /nfs/dbraw/zinc/51/96/91/570519691.db2.gz XQNNNVIQVUOPDU-LJQANCHMSA-N 1 0 393.487 3.756 50 10 GHCARO CCOc1cccc2c1OC1(CC[NH+](C)CC1)N1N=C(c3ccccc3O)C[C@@H]21 ZINC000064688573 570520026 /nfs/dbraw/zinc/52/00/26/570520026.db2.gz XQNNNVIQVUOPDU-IBGZPJMESA-N 1 0 393.487 3.756 50 10 GHCARO COc1cccc([C@@H]2CC(c3ccc(C)c(C)c3)=NC3(CC[NH+](C)CC3)N2)c1O ZINC000065298301 570787597 /nfs/dbraw/zinc/78/75/97/570787597.db2.gz WAXYYIIJYPPVEB-NRFANRHFSA-N 1 0 393.531 3.963 50 10 biogenic GHCARO CCOc1ccc(C2=NC3(CC[NH+](C)CC3)N[C@@H](c3ccccc3O)C2)cc1 ZINC000065297894 570787630 /nfs/dbraw/zinc/78/76/30/570787630.db2.gz AOEUPBMGAPDZEL-OAQYLSRUSA-N 1 0 379.504 3.737 50 10 biogenic GHCARO COc1ccccc1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+]1CCCC1 ZINC000022418413 861115954 /nfs/dbraw/zinc/11/59/54/861115954.db2.gz FULHDPGLMZEWEN-FQEVSTJZSA-N 1 0 382.508 3.720 50 10 GHCARO COCc1cc(C[NH2+][C@@H]2CCCN(Cc3cccc(OC)c3)C2)ccc1OC ZINC000020914046 919671098 /nfs/dbraw/zinc/67/10/98/919671098.db2.gz YSQVNAHKLUOAOJ-OAQYLSRUSA-N 1 0 384.520 3.604 50 10 GHCARO COc1ccc(N2CCN([C@@H]3CCC[N@H+](Cc4cccc(C)c4)C3)CC2)cc1 ZINC000020201718 210322905 /nfs/dbraw/zinc/32/29/05/210322905.db2.gz VEUNYZWAONCPJW-HSZRJFAPSA-N 1 0 379.548 3.790 50 10 GHCARO CN(C)c1ccc([C@H](CNC(=O)c2ccccc2Br)[NH+](C)C)cc1 ZINC000005097803 570417133 /nfs/dbraw/zinc/41/71/33/570417133.db2.gz NZLGBFYQOGJLBX-SFHVURJKSA-N 1 0 390.325 3.548 50 10 GHCARO CCN1c2ccccc2SC1=Cc1cc(C)[n+](N2CCN(C)CC2)c(C)c1 ZINC000003179411 862235521 /nfs/dbraw/zinc/23/55/21/862235521.db2.gz MHBXTXMSQAOINZ-UHFFFAOYSA-N 1 0 381.569 3.878 50 10 GHCARO Cc1ccccc1C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)[NH+]1CCCCC1 ZINC000013007671 859730230 /nfs/dbraw/zinc/73/02/30/859730230.db2.gz CZXMEJLJCXUJAQ-QHCPKHFHSA-N 1 0 377.532 3.944 50 10 GHCARO c1csc([C@@H](C[NH2+]Cc2ccc(N3CCCCC3)cc2)N2CCOCC2)c1 ZINC000022921965 210428638 /nfs/dbraw/zinc/42/86/38/210428638.db2.gz MDMXZZQQWKNKCU-OAQYLSRUSA-N 1 0 385.577 3.902 50 10 GHCARO Cc1oc2ccc(O)c(CN3CC[NH+](C)CC3)c2c1C(=O)Nc1ccccc1C ZINC000019794017 210297974 /nfs/dbraw/zinc/29/79/74/210297974.db2.gz AHMQDXJZWIDGGL-UHFFFAOYSA-N 1 0 393.487 3.755 50 10 GHCARO COc1ccc(N2CC[NH+](C[C@H](O)COc3ccccc3C(C)(C)C)CC2)cc1 ZINC000096134159 136184126 /nfs/dbraw/zinc/18/41/26/136184126.db2.gz KOPOEFLWKCWVCH-FQEVSTJZSA-N 1 0 398.547 3.555 50 10 GHCARO COc1ccc(N2CCC([N@@H+]3CCC[C@H](CCC(=O)N4CCCC4)C3)CC2)cc1 ZINC000039387709 536670103 /nfs/dbraw/zinc/67/01/03/536670103.db2.gz JRPYTPFYHAQWOM-HXUWFJFHSA-N 1 0 399.579 3.779 50 10 GHCARO Cc1c(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000005097948 570417148 /nfs/dbraw/zinc/41/71/48/570417148.db2.gz BZIXZIKFFVSNFY-OAQYLSRUSA-N 1 0 396.491 3.536 50 10 GHCARO COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3c(O)cccc3OC)C2)cc1OC ZINC000011815898 570584420 /nfs/dbraw/zinc/58/44/20/570584420.db2.gz AEUXFRBKTCGNTK-MRXNPFEDSA-N 1 0 385.460 3.513 50 10 GHCARO CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCC[N@H+](Cc2ccccc2O)C1 ZINC000012297242 570634222 /nfs/dbraw/zinc/63/42/22/570634222.db2.gz QTCSGNUZNKPCMJ-HSZRJFAPSA-N 1 0 383.488 3.789 50 10 GHCARO CC[NH+]1CCC2(CC1)N=C(c1ccc(F)cc1)C[C@H](c1cccc(OC)c1O)N2 ZINC000065298195 570787370 /nfs/dbraw/zinc/78/73/70/570787370.db2.gz YQVMSZNIOUBAPJ-HXUWFJFHSA-N 1 0 397.494 3.876 50 10 biogenic GHCARO C[NH+]1CCC2(CC1)N=C(c1cc(Cl)ccc1O)C[C@@H](c1ccccc1O)N2 ZINC000015830182 210172854 /nfs/dbraw/zinc/17/28/54/210172854.db2.gz NREFVWWKFAFPNW-KRWDZBQOSA-N 1 0 385.895 3.697 50 10 biogenic GHCARO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2cc(-c3cccc(OC)n3)ccc2O)C1 ZINC000014881129 210129573 /nfs/dbraw/zinc/12/95/73/210129573.db2.gz LGJXCKUDSLURJA-SFHVURJKSA-N 1 0 397.519 3.543 50 10 GHCARO CC[NH+](CC)CCOC(=O)c1c(C)oc2cc(C[NH+](C)C)c([O-])c(Cl)c21 ZINC000001740561 209336540 /nfs/dbraw/zinc/33/65/40/209336540.db2.gz MILGJKHRSPOMNP-UHFFFAOYSA-N 1 0 382.888 3.660 50 10 GHCARO COc1ccc(O)c(C[NH+]2CCC3(C[C@@H]3C(=O)Nc3ccccc3OC)CC2)c1 ZINC000011979149 858341396 /nfs/dbraw/zinc/34/13/96/858341396.db2.gz CQMIYQTYUHSWSU-GOSISDBHSA-N 1 0 396.487 3.650 50 10 GHCARO Cc1cccc(CC(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCCC2)c1 ZINC000013007775 859730137 /nfs/dbraw/zinc/73/01/37/859730137.db2.gz BLXWIYCFXARJDP-XMMPIXPASA-N 1 0 391.559 3.873 50 10 GHCARO C[NH+](C)CCCN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S ZINC000096019450 914021220 /nfs/dbraw/zinc/02/12/20/914021220.db2.gz MJGDMDMSUIVXDX-RAXLEYEMSA-N 1 0 385.352 3.602 50 10 GHCARO COc1ccc(N2CCC([NH2+]CCCSc3nnc(C)s3)CC2)cc1 ZINC000952966924 904662515 /nfs/dbraw/zinc/66/25/15/904662515.db2.gz GMUWFMABUOKYGC-UHFFFAOYSA-N 1 0 378.567 3.596 50 10 GHCARO Oc1cc2c(cc1C[NH+]1CCN(c3ccc(C(F)(F)F)cn3)CC1)CCC2 ZINC000023732283 570370481 /nfs/dbraw/zinc/37/04/81/570370481.db2.gz UUEHGOHILGMISK-UHFFFAOYSA-N 1 0 377.410 3.617 50 10 GHCARO CCOCc1cc(C[NH+]2CCN(c3ccccc3)CC2)c(O)c2ncccc12 ZINC000006804061 570606244 /nfs/dbraw/zinc/60/62/44/570606244.db2.gz WDPRNPALAYHODZ-UHFFFAOYSA-N 1 0 377.488 3.799 50 10 GHCARO COc1ccc(-n2c(C)cc([C@H]3NC(=[NH2+])Nc4nc5ccccc5n43)c2C)cc1 ZINC000012571296 570874826 /nfs/dbraw/zinc/87/48/26/570874826.db2.gz LZQFNAZMDIQWTN-FQEVSTJZSA-N 1 0 386.459 3.549 50 10 GHCARO COc1ccc(N2CC[NH+](CCCNC(=O)Nc3ccc(C)c(C)c3)CC2)cc1 ZINC000004791578 570992775 /nfs/dbraw/zinc/99/27/75/570992775.db2.gz QWMDENBXHGSHKB-UHFFFAOYSA-N 1 0 396.535 3.646 50 10 GHCARO c1csc(CN2CCC[C@@H]([NH2+]C3CCN(c4ccc5c(c4)OCO5)CC3)C2)c1 ZINC000820414922 861984624 /nfs/dbraw/zinc/98/46/24/861984624.db2.gz DATGMWRAYJCCPX-GOSISDBHSA-N 1 0 399.560 3.700 50 10 GHCARO CN1CCc2cc([C@H](CNC(=O)c3ccc(F)c(F)c3)[NH+]3CCCCC3)ccc21 ZINC000013007786 859730204 /nfs/dbraw/zinc/73/02/04/859730204.db2.gz JJFZODNMRPUAJM-QFIPXVFZSA-N 1 0 399.485 3.914 50 10 GHCARO COc1ccc(N2CCC([N@H+](C)C[C@@H]3Cc4ccccc4CN3C)CC2)cc1 ZINC000952982304 904668744 /nfs/dbraw/zinc/66/87/44/904668744.db2.gz GMWRWVSXIACHMO-QHCPKHFHSA-N 1 0 379.548 3.653 50 10 GHCARO C[NH+]1CCC2(CC1)N=C(c1ccccc1O)C[C@H](c1cc(Cl)ccc1O)N2 ZINC000015830398 210173146 /nfs/dbraw/zinc/17/31/46/210173146.db2.gz YVFYVFRJJYUSQQ-GOSISDBHSA-N 1 0 385.895 3.697 50 10 GHCARO COc1cccc(-c2ccc(O)c(C[NH2+]CCc3ccc(OC)c(OC)c3)c2)n1 ZINC000014880528 210129688 /nfs/dbraw/zinc/12/96/88/210129688.db2.gz BACCJHBQIDKPIW-UHFFFAOYSA-N 1 0 394.471 3.812 50 10 GHCARO CCOC(=O)N1CC[NH+](Cc2c(O)ccc3cc(Br)ccc32)CC1 ZINC000012812754 210015425 /nfs/dbraw/zinc/01/54/25/210015425.db2.gz KLBHVEKZQWRIAX-UHFFFAOYSA-N 1 0 393.281 3.582 50 10 GHCARO Cc1ccccc1C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)[NH+]1CCCC1 ZINC000013008203 136200743 /nfs/dbraw/zinc/20/07/43/136200743.db2.gz OOQIGYNPYJSIGA-QHCPKHFHSA-N 1 0 377.532 3.944 50 10 GHCARO CN1CCCc2cc([C@@H](CNC(=O)Cc3ccc(F)cc3)[NH+]3CCCC3)ccc21 ZINC000013008224 136200772 /nfs/dbraw/zinc/20/07/72/136200772.db2.gz WLCTYGFQWRLCEP-HSZRJFAPSA-N 1 0 395.522 3.704 50 10 GHCARO CN1CCCc2cc([C@H](CNC(=O)Cc3ccc(F)cc3)[NH+]3CCCC3)ccc21 ZINC000013008226 536397431 /nfs/dbraw/zinc/39/74/31/536397431.db2.gz WLCTYGFQWRLCEP-QHCPKHFHSA-N 1 0 395.522 3.704 50 10 GHCARO CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCC[N@H+](Cc2ccccc2O)C1 ZINC000012297243 570634160 /nfs/dbraw/zinc/63/41/60/570634160.db2.gz QTCSGNUZNKPCMJ-QHCPKHFHSA-N 1 0 383.488 3.789 50 10 GHCARO Cc1cc(O)c(C[NH+]2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1C ZINC000058537495 570734497 /nfs/dbraw/zinc/73/44/97/570734497.db2.gz ABJOGLXAGMFMJV-UHFFFAOYSA-N 1 0 381.472 3.875 50 10 GHCARO COc1ccc(N2CCN(C(=O)CC[N@@H+]3CCC[C@@H]3c3cccs3)CC2)cc1 ZINC000032776737 570799118 /nfs/dbraw/zinc/79/91/18/570799118.db2.gz KGORLXXBJLBCGE-HXUWFJFHSA-N 1 0 399.560 3.633 50 10 GHCARO CN1CCc2cc([C@@H](CNC(=O)c3cccc(F)c3)[NH+]3CCCCC3)ccc21 ZINC000013007729 859730165 /nfs/dbraw/zinc/73/01/65/859730165.db2.gz VIGNEPMGRLNPNP-JOCHJYFZSA-N 1 0 381.495 3.775 50 10 GHCARO CN1CCc2cc([C@@H](CNC(=O)c3ccc(F)cc3)[NH+]3CCCCC3)ccc21 ZINC000013007720 859730286 /nfs/dbraw/zinc/73/02/86/859730286.db2.gz XJTJWOCXKFVVGI-JOCHJYFZSA-N 1 0 381.495 3.775 50 10 GHCARO Oc1ccc(-c2ncccn2)cc1C[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000019634668 210276589 /nfs/dbraw/zinc/27/65/89/210276589.db2.gz AWKGLPZCEAVQAL-UHFFFAOYSA-N 1 0 395.890 3.986 50 10 GHCARO Cc1cccc([N+]2=C3SCCCN3[C@@](O)(c3ccc(OC(F)F)cc3)C2)c1 ZINC000002966117 570525309 /nfs/dbraw/zinc/52/53/09/570525309.db2.gz BIGITDJCOHJDSV-FQEVSTJZSA-N 1 0 391.463 3.767 50 10 GHCARO CCOc1ccc(C[NH2+][C@@H]2CCCN(c3nc4ccccc4s3)C2)cc1CO ZINC000012709692 570702126 /nfs/dbraw/zinc/70/21/26/570702126.db2.gz MQNVGQMGCBGHNG-GOSISDBHSA-N 1 0 397.544 3.946 50 10 GHCARO CSc1cccc(-n2c(C)cc(C(=O)CSc3nc(N)cc(N)[nH+]3)c2C)c1 ZINC000012523071 570829011 /nfs/dbraw/zinc/82/90/11/570829011.db2.gz GRARVARYTHMMDQ-UHFFFAOYSA-N 1 0 399.545 3.745 50 10 GHCARO O[C@@]1(c2ccc(Br)cc2)CN(c2ccccc2)C2=[N+]1CCCS2 ZINC000012602790 570690186 /nfs/dbraw/zinc/69/01/86/570690186.db2.gz CVEUBCXSZVJWSJ-GOSISDBHSA-N 1 0 390.326 3.620 50 10 GHCARO CCC[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3cc(O)ccc3O)=NN12 ZINC000010214228 209320458 /nfs/dbraw/zinc/32/04/58/209320458.db2.gz KRWHOTIMQFGYOZ-HXUWFJFHSA-N 1 0 393.487 3.843 50 10 GHCARO COc1cccc(N(C(C)=O)C2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)c1 ZINC000034683131 570301092 /nfs/dbraw/zinc/30/10/92/570301092.db2.gz WQNJTOYIXSBZNM-UHFFFAOYSA-N 1 0 381.520 3.779 50 10 GHCARO Cc1c(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000005097947 570417007 /nfs/dbraw/zinc/41/70/07/570417007.db2.gz BZIXZIKFFVSNFY-NRFANRHFSA-N 1 0 396.491 3.536 50 10 GHCARO CCCCOc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1 ZINC000005097867 570417082 /nfs/dbraw/zinc/41/70/82/570417082.db2.gz QSQORAKFPTUFHM-QFIPXVFZSA-N 1 0 383.536 3.964 50 10 GHCARO CN(C)c1ccc([C@@H](CNC(=O)c2ccccc2Br)[NH+](C)C)cc1 ZINC000005097802 570417161 /nfs/dbraw/zinc/41/71/61/570417161.db2.gz NZLGBFYQOGJLBX-GOSISDBHSA-N 1 0 390.325 3.548 50 10 GHCARO COc1ccc2ccc(O)c(C[N@H+]3Cc4c(OC)ccc(OC)c4[C@@H](O)C3)c2c1 ZINC000029543446 570475859 /nfs/dbraw/zinc/47/58/59/570475859.db2.gz QMLZSWNIQROQSL-FQEVSTJZSA-N 1 0 395.455 3.620 50 10 GHCARO CN1CCc2cc([C@@H](CNC(=O)c3cccc(Cl)c3)[NH+]3CCCC3)ccc21 ZINC000008963333 856678007 /nfs/dbraw/zinc/67/80/07/856678007.db2.gz XXUWZXZSPUJVGT-OAQYLSRUSA-N 1 0 383.923 3.899 50 10 GHCARO COc1ccc(O)c(C[NH+]2CCC3(C[C@H]3C(=O)Nc3ccccc3OC)CC2)c1 ZINC000011979158 858341123 /nfs/dbraw/zinc/34/11/23/858341123.db2.gz CQMIYQTYUHSWSU-SFHVURJKSA-N 1 0 396.487 3.650 50 10 GHCARO COc1ccc(N2CCC[N@H+](C[C@H](O)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000051473623 570279968 /nfs/dbraw/zinc/27/99/68/570279968.db2.gz HIMZRBGZZPIVCU-FQEVSTJZSA-N 1 0 394.437 3.960 50 10 GHCARO Cc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)c(C)n1-c1cc[nH+]cc1 ZINC000004661125 570390620 /nfs/dbraw/zinc/39/06/20/570390620.db2.gz OFYJSXDSCKNVEW-FYJGNVAPSA-N 1 0 386.455 3.890 50 10 GHCARO CN(C)c1ccc([C@@H](CNC(=O)Cc2ccc(Cl)cc2)[NH+]2CCCC2)cc1 ZINC000005097940 570417085 /nfs/dbraw/zinc/41/70/85/570417085.db2.gz OWNABPWCGLBUIP-OAQYLSRUSA-N 1 0 385.939 3.902 50 10 GHCARO CCOc1ccc(N2C[C@@](O)(c3ccc(C)cc3C)[N+]3=C2SCCC3)cc1 ZINC000002965992 570525420 /nfs/dbraw/zinc/52/54/20/570525420.db2.gz WZHJAWGKKDXHFQ-JOCHJYFZSA-N 1 0 383.537 3.873 50 10 GHCARO COc1ccc(N2CC[NH+](CCCNC(=O)Nc3ccc(C)cc3C)CC2)cc1 ZINC000006785763 570592166 /nfs/dbraw/zinc/59/21/66/570592166.db2.gz AIDBCNJPEVBXQD-UHFFFAOYSA-N 1 0 396.535 3.646 50 10 GHCARO COc1ccc(N2CC[NH+](C[C@@H](O)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000051092649 570799210 /nfs/dbraw/zinc/79/92/10/570799210.db2.gz VCSNTPALGPDVIM-LJQANCHMSA-N 1 0 380.410 3.570 50 10 GHCARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Cl)cc(OC)c2O)N3)C1 ZINC000004556398 570883045 /nfs/dbraw/zinc/88/30/45/570883045.db2.gz HOZUUFPYKKEUMS-INIZCTEOSA-N 1 0 393.896 3.923 50 10 GHCARO CN1CCCc2cc([C@H](CNC(=O)NCc3cccs3)[NH+]3CCCC3)ccc21 ZINC000036705364 209847807 /nfs/dbraw/zinc/84/78/07/209847807.db2.gz XQLUEPIXQFMVTR-NRFANRHFSA-N 1 0 398.576 3.767 50 10 GHCARO COc1ccc(N2CC[NH+]([C@H]3CCCN(Cc4ccccc4F)C3)CC2)cc1 ZINC000019850623 210302894 /nfs/dbraw/zinc/30/28/94/210302894.db2.gz PNRHJDVXRCZVRA-NRFANRHFSA-N 1 0 383.511 3.621 50 10 GHCARO CN(C)c1cc(NCC[NH+]2CCCC2)c2c3c1noc3-c1ccccc1C2=O ZINC000006737859 570562223 /nfs/dbraw/zinc/56/22/23/570562223.db2.gz OCFZJPPNRUKPBB-UHFFFAOYSA-N 1 0 376.460 3.613 50 10 GHCARO Cc1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)c(C)n1-c1cc[nH+]cc1 ZINC000001163169 209308814 /nfs/dbraw/zinc/30/88/14/209308814.db2.gz MOQNYRQDGJPYKG-UDWIEESQSA-N 1 0 390.418 3.721 50 10 GHCARO C[NH+]1CCN(c2ccc(CNC(=O)c3ccc(Cl)cc3Cl)cc2)CC1 ZINC000065365514 536421691 /nfs/dbraw/zinc/42/16/91/536421691.db2.gz DFBZHVANADURRR-UHFFFAOYSA-N 1 0 378.303 3.675 50 10 GHCARO Cc1c(C)c(=O)oc2c1ccc([O-])c2C[N@H+](C)C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000524731031 570765313 /nfs/dbraw/zinc/76/53/13/570765313.db2.gz HRDURUSTQFCTOI-FXAWDEMLSA-N 1 0 384.520 3.812 50 10 biogenic GHCARO CC[NH+]1CCC2(CC1)N=C(c1ccccc1)C[C@H](c1cccc(OC)c1O)N2 ZINC000065298171 570787440 /nfs/dbraw/zinc/78/74/40/570787440.db2.gz LDWHRFGVDJIWFW-HXUWFJFHSA-N 1 0 379.504 3.737 50 10 biogenic GHCARO COc1ccc(N2CCN(C(=O)CC[N@@H+]3CCC[C@H]3c3cccs3)CC2)cc1 ZINC000032776738 570799140 /nfs/dbraw/zinc/79/91/40/570799140.db2.gz KGORLXXBJLBCGE-FQEVSTJZSA-N 1 0 399.560 3.633 50 10 GHCARO COc1ccccc1C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)[NH+]1CCCC1 ZINC000011027654 221109794 /nfs/dbraw/zinc/10/97/94/221109794.db2.gz YWBXHRVJRLBQLN-QFIPXVFZSA-N 1 0 393.531 3.645 50 10 GHCARO COc1ccc(N2CCC([NH+]3CCC(CCC(=O)N4CCCC4)CC3)CC2)cc1 ZINC000011820868 221129285 /nfs/dbraw/zinc/12/92/85/221129285.db2.gz BNDHNHUFCLLJAM-UHFFFAOYSA-N 1 0 399.579 3.779 50 10 GHCARO COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3c(O)cccc3OC)C2)c(OC)c1 ZINC000012074041 221147225 /nfs/dbraw/zinc/14/72/25/221147225.db2.gz JQVWVPVJPHHMSD-OAHLLOKOSA-N 1 0 385.460 3.513 50 10 GHCARO Cc1ccc(C(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCCC2)cc1 ZINC000013007803 221256649 /nfs/dbraw/zinc/25/66/49/221256649.db2.gz XLRVLIUJGFVNST-HSZRJFAPSA-N 1 0 377.532 3.944 50 10 GHCARO CN1CCCc2cc([C@@H](CNC(=O)c3cccc(F)c3)[NH+]3CCCC3)ccc21 ZINC000013008228 536397563 /nfs/dbraw/zinc/39/75/63/536397563.db2.gz FNNXILWAPXLIEC-JOCHJYFZSA-N 1 0 381.495 3.775 50 10 GHCARO CCOc1ccccc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+]1CCCC1 ZINC000005097929 570417079 /nfs/dbraw/zinc/41/70/79/570417079.db2.gz PAPNCNAFFUOQLQ-NRFANRHFSA-N 1 0 381.520 3.718 50 10 GHCARO COc1ccc(CCC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)cc1 ZINC000005097942 571040353 /nfs/dbraw/zinc/04/03/53/571040353.db2.gz UOMNUIIAQRDJTI-HSZRJFAPSA-N 1 0 395.547 3.647 50 10 GHCARO CC(C)n1cc2cc(C(=O)NCc3ccc(N4CC[NH+](C)CC4)cc3)sc2c1 ZINC000097161513 861139154 /nfs/dbraw/zinc/13/91/54/861139154.db2.gz OHXWZJLBQJSSPG-UHFFFAOYSA-N 1 0 396.560 3.966 50 10 GHCARO O=C(c1ccc(OC2CC[NH+](Cc3ccccc3O)CC2)cc1)N1CCCC1 ZINC000012050062 221144284 /nfs/dbraw/zinc/14/42/84/221144284.db2.gz BOELPFTZFAJDAL-UHFFFAOYSA-N 1 0 380.488 3.672 50 10 GHCARO CC(C)c1ccc(C(=O)Nc2cccc(N3CCN(CC[NH+](C)C)CC3)c2)cc1 ZINC000048374657 132433854 /nfs/dbraw/zinc/43/38/54/132433854.db2.gz BLXSNWZKEXUQEE-UHFFFAOYSA-N 1 0 394.563 3.746 50 10 GHCARO Cc1ccc(SCCC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000095482550 136179591 /nfs/dbraw/zinc/17/95/91/136179591.db2.gz SVJSTXOLEOBAKA-UHFFFAOYSA-N 1 0 383.561 3.545 50 10 GHCARO COc1cc(C[NH+]2CCC(OC3CCOCC3)CC2)c(O)c(C(C)(C)C)c1 ZINC000095974170 222367344 /nfs/dbraw/zinc/36/73/44/222367344.db2.gz TYBMUHDTPNUQJO-UHFFFAOYSA-N 1 0 377.525 3.858 50 10 GHCARO CCOC(=O)c1ccc(N2C[C@@H]3CCCC[N@@H+]3[C@@H]2c2cccc(OC)c2O)cc1 ZINC000004299708 570366443 /nfs/dbraw/zinc/36/64/43/570366443.db2.gz RYOFLBSHVDGRGD-AVRDEDQJSA-N 1 0 396.487 3.951 50 10 GHCARO CN(C)c1ccc([C@@H](CNC(=O)c2ccc(Br)cc2)[NH+](C)C)cc1 ZINC000005097768 570417110 /nfs/dbraw/zinc/41/71/10/570417110.db2.gz SWWKHGVQLBBHBT-GOSISDBHSA-N 1 0 390.325 3.548 50 10 GHCARO COc1ccc(-n2c(C)cc([C@@H]3NC(=[NH2+])Nc4nc5ccccc5n43)c2C)cc1 ZINC000012571294 221208671 /nfs/dbraw/zinc/20/86/71/221208671.db2.gz LZQFNAZMDIQWTN-HXUWFJFHSA-N 1 0 386.459 3.549 50 10 GHCARO COc1cccc(O)c1C[N@H+](C)C[C@H]1CCCN(CCc2ccccc2F)C1 ZINC000012745241 221223657 /nfs/dbraw/zinc/22/36/57/221223657.db2.gz GVDYIAASCDTDHX-GOSISDBHSA-N 1 0 386.511 3.926 50 10 GHCARO CN1CCc2cc([C@H](CNC(=O)CCc3ccccc3)[NH+]3CCCCC3)ccc21 ZINC000013007736 221256879 /nfs/dbraw/zinc/25/68/79/221256879.db2.gz NDUQMWFUUHVYRR-DEOSSOPVSA-N 1 0 391.559 3.955 50 10 GHCARO CC(C)Oc1ccc(C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+](C)C)cc1 ZINC000013008155 534980321 /nfs/dbraw/zinc/98/03/21/534980321.db2.gz PTTDMVQUKXWXKE-HSZRJFAPSA-N 1 0 395.547 3.889 50 10 GHCARO CN1CCc2cc([C@@H](CNC(=O)Nc3ccc(F)cc3)[NH+]3CCCC3)ccc21 ZINC000035597201 570399840 /nfs/dbraw/zinc/39/98/40/570399840.db2.gz JUJOLJUDGSFVJZ-OAQYLSRUSA-N 1 0 382.483 3.777 50 10 GHCARO COc1ccccc1NC(=O)NC[C@@H](c1ccc2c(c1)CCN2C)[NH+]1CCCC1 ZINC000035597214 570399901 /nfs/dbraw/zinc/39/99/01/570399901.db2.gz BEAOTLZUURQTIW-NRFANRHFSA-N 1 0 394.519 3.646 50 10 GHCARO COC(=O)c1ccc([C@@H](c2c(O)ccc3ccccc32)[NH+]2CCOCC2)cc1 ZINC000025561819 570416056 /nfs/dbraw/zinc/41/60/56/570416056.db2.gz YMCQRYCRSDWBJA-QFIPXVFZSA-N 1 0 377.440 3.754 50 10 GHCARO COc1ccc(C[NH2+]Cc2cccc(Br)c2)cc1Cn1ccnc1 ZINC000009740770 857335765 /nfs/dbraw/zinc/33/57/65/857335765.db2.gz QKCOGFOHGQAWOV-UHFFFAOYSA-N 1 0 386.293 3.992 50 10 GHCARO O=C(c1ccco1)N1CCC[N@@H+](C2CCN(c3ccc4c(c3)CCC4)CC2)CC1 ZINC000952985838 904671615 /nfs/dbraw/zinc/67/16/15/904671615.db2.gz HREUZZSSMMHRTD-UHFFFAOYSA-N 1 0 393.531 3.585 50 10 GHCARO CN1CCc2cc([C@@H](CNC(=O)Cc3ccc(Cl)cc3)[NH+]3CCCC3)ccc21 ZINC000008963239 221065812 /nfs/dbraw/zinc/06/58/12/221065812.db2.gz DLNDXDXHJQQDBD-JOCHJYFZSA-N 1 0 397.950 3.828 50 10 GHCARO CN1CCc2cc([C@@H](CNC(=O)c3ccc(F)c(F)c3)[NH+]3CCCCC3)ccc21 ZINC000013007784 221256738 /nfs/dbraw/zinc/25/67/38/221256738.db2.gz JJFZODNMRPUAJM-JOCHJYFZSA-N 1 0 399.485 3.914 50 10 GHCARO COc1ccc(C(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCCC2)cc1 ZINC000013007666 221256952 /nfs/dbraw/zinc/25/69/52/221256952.db2.gz UHZULVIZUSFVKB-HSZRJFAPSA-N 1 0 393.531 3.645 50 10 GHCARO C[NH+](C)CCCN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S ZINC000014244272 221307460 /nfs/dbraw/zinc/30/74/60/221307460.db2.gz MJGDMDMSUIVXDX-JLHYYAGUSA-N 1 0 385.352 3.602 50 10 GHCARO COc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)Cc2c(O)cccc2OC)C1 ZINC000014969092 221321886 /nfs/dbraw/zinc/32/18/86/221321886.db2.gz XQXXXFPQHYNAJI-LJQANCHMSA-N 1 0 398.547 3.796 50 10 GHCARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2cc(-c3cccc(OC)n3)ccc2O)C1 ZINC000014881127 221317305 /nfs/dbraw/zinc/31/73/05/221317305.db2.gz LGJXCKUDSLURJA-GOSISDBHSA-N 1 0 397.519 3.543 50 10 GHCARO COc1ccc(N2CC[NH+](C[C@@](C)(O)c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000058322918 136155273 /nfs/dbraw/zinc/15/52/73/136155273.db2.gz YTPMZQWPRQMQET-HXUWFJFHSA-N 1 0 394.437 3.744 50 10 GHCARO Cc1ccc(NC(=O)CN2CC[NH+](Cc3c(O)ccc4ccccc43)CC2)cc1 ZINC000022794425 570328161 /nfs/dbraw/zinc/32/81/61/570328161.db2.gz QHVNNUPDMRXZBI-UHFFFAOYSA-N 1 0 389.499 3.610 50 10 GHCARO COc1ccccc1NC(=O)NC[C@H](c1ccc2c(c1)CCN2C)[NH+]1CCCC1 ZINC000035597213 570399985 /nfs/dbraw/zinc/39/99/85/570399985.db2.gz BEAOTLZUURQTIW-OAQYLSRUSA-N 1 0 394.519 3.646 50 10 GHCARO CC[N@@H+]1CCC[C@H]1CNC(=S)N(Cc1ccccc1O)c1ccc(F)cc1 ZINC000032909057 570909824 /nfs/dbraw/zinc/90/98/24/570909824.db2.gz UCIDFUFQHOMRNC-IBGZPJMESA-N 1 0 387.524 3.897 50 10 GHCARO CC[NH+](CC)CCCN1C(=O)/C(=C/c2cccc(OC)c2OC)SC1=S ZINC000002335237 855244163 /nfs/dbraw/zinc/24/41/63/855244163.db2.gz KXUVLLKVRYSEGF-SSZFMOIBSA-N 1 0 394.562 3.637 50 10 GHCARO CCCOc1ccc(C[N@@H+]2CCCN(Cc3ccc(OC)cc3)CC2)c(O)c1 ZINC000095453786 860588428 /nfs/dbraw/zinc/58/84/28/860588428.db2.gz PAQBVPVMMOVXCC-UHFFFAOYSA-N 1 0 384.520 3.898 50 10 GHCARO COc1ccc(C[NH2+]C[C@]2(c3ccccc3)CC2(C)C)cc1Cn1cncn1 ZINC000952869238 904634358 /nfs/dbraw/zinc/63/43/58/904634358.db2.gz MRZGYFOZEKHUFJ-QHCPKHFHSA-N 1 0 376.504 3.793 50 10 GHCARO CC(C)c1noc(C2CC[NH+](C3CCN(c4ccc5c(c4)OCO5)CC3)CC2)n1 ZINC000952970480 904648913 /nfs/dbraw/zinc/64/89/13/904648913.db2.gz VVGZTCIZMWGFAC-UHFFFAOYSA-N 1 0 398.507 3.770 50 10 GHCARO C[N@@H+](Cc1c([O-])ccc2c3c(c(=O)oc21)CCC3)C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000409414054 529974652 /nfs/dbraw/zinc/97/46/52/529974652.db2.gz MXVRSXOWINBFQG-HRAATJIYSA-N 1 0 396.531 3.684 50 10 biogenic GHCARO COc1ccc(N2CC[NH+](C[C@@H](O)COc3ccc(C(C)C)c(C)c3)CC2)cc1 ZINC000001473490 212248000 /nfs/dbraw/zinc/24/80/00/212248000.db2.gz AFKBSDYACHVHEH-OAQYLSRUSA-N 1 0 398.547 3.689 50 10 GHCARO COc1cccc(C[NH+]2CCC(CO)(Cc3ccc(Cl)cc3)CC2)c1O ZINC000012749340 221224638 /nfs/dbraw/zinc/22/46/38/221224638.db2.gz VHRSSVLNTDLDAU-UHFFFAOYSA-N 1 0 375.896 3.871 50 10 GHCARO Cc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCCC2)cc1 ZINC000013007805 221257041 /nfs/dbraw/zinc/25/70/41/221257041.db2.gz XLRVLIUJGFVNST-QHCPKHFHSA-N 1 0 377.532 3.944 50 10 GHCARO CCOc1cccc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(OC)cc3OC)C2)c1O ZINC000015068691 221328675 /nfs/dbraw/zinc/32/86/75/221328675.db2.gz DFVWPNPSPHGVAM-MRXNPFEDSA-N 1 0 399.487 3.903 50 10 GHCARO O=C(/C=C\c1ccc(N2CCCCCC2)cc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000096891805 136187661 /nfs/dbraw/zinc/18/76/61/136187661.db2.gz FMNQQULDQHTAFT-YFHOEESVSA-N 1 0 390.531 3.824 50 10 GHCARO CC(C)Oc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+](C)C)cc1 ZINC000013008157 136200699 /nfs/dbraw/zinc/20/06/99/136200699.db2.gz PTTDMVQUKXWXKE-QHCPKHFHSA-N 1 0 395.547 3.889 50 10 GHCARO COc1ccc(N2CCC[N@H+](C[C@H](O)c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000051473626 222007140 /nfs/dbraw/zinc/00/71/40/222007140.db2.gz NIHCTIPUXCVWPZ-FQEVSTJZSA-N 1 0 394.437 3.960 50 10 GHCARO COc1cccc([C@@H]2CC(c3ccc(Cl)cc3)=NC3(CC[NH+](C)CC3)N2)c1O ZINC000065298173 222122383 /nfs/dbraw/zinc/12/23/83/222122383.db2.gz MBDAHONYLIFXBD-IBGZPJMESA-N 1 0 399.922 4.000 50 10 biogenic GHCARO COc1ccc(N2CC[NH+](C[C@H](O)COc3ccc(C(C)C)c(C)c3)CC2)cc1 ZINC000020347298 860549561 /nfs/dbraw/zinc/54/95/61/860549561.db2.gz AFKBSDYACHVHEH-NRFANRHFSA-N 1 0 398.547 3.689 50 10 GHCARO c1csc(CN2CCC[N@@H+](C3CCN(c4ccc5c(c4)OCO5)CC3)CC2)c1 ZINC000952960426 904640100 /nfs/dbraw/zinc/64/01/00/904640100.db2.gz VNKCAMMPWGTUHH-UHFFFAOYSA-N 1 0 399.560 3.654 50 10 GHCARO O=C(c1ccccc1OC1CC[NH+](Cc2ccccc2O)CC1)N1CCCC1 ZINC000011753419 221122704 /nfs/dbraw/zinc/12/27/04/221122704.db2.gz UDWFQXXXTATTMZ-UHFFFAOYSA-N 1 0 380.488 3.672 50 10 GHCARO COc1ccc(O)c(C[NH+]2CCC(CO)(Cc3ccccc3Cl)CC2)c1 ZINC000012051987 221145487 /nfs/dbraw/zinc/14/54/87/221145487.db2.gz MZNDREHFGMDDNR-UHFFFAOYSA-N 1 0 375.896 3.871 50 10 GHCARO Oc1c([C@H](c2ccccn2)[NH+]2CCN(c3ccccn3)CC2)ccc2cccnc21 ZINC000004247747 136196698 /nfs/dbraw/zinc/19/66/98/136196698.db2.gz OZSANKKZTCLFJI-HSZRJFAPSA-N 1 0 397.482 3.642 50 10 GHCARO CCN(Cc1ccccc1)C(=O)C1CC[NH+](Cc2cccc(OC)c2O)CC1 ZINC000004725504 570398097 /nfs/dbraw/zinc/39/80/97/570398097.db2.gz MSYSHVIDABQNAX-UHFFFAOYSA-N 1 0 382.504 3.662 50 10 GHCARO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CCCSc2nccs2)c1 ZINC000072289951 570482898 /nfs/dbraw/zinc/48/28/98/570482898.db2.gz BFDCAHWRZTWLNO-UHFFFAOYSA-N 1 0 375.422 3.925 50 10 GHCARO Cc1oc2ccc(O)c(CN3CC[NH+](C)CC3)c2c1C(=O)Nc1ccc(C)cc1 ZINC000019794021 860370382 /nfs/dbraw/zinc/37/03/82/860370382.db2.gz SKTIDQPWKYMUOJ-UHFFFAOYSA-N 1 0 393.487 3.755 50 10 GHCARO Cc1cc(/C=C2/Sc3ccccc3N2C)cc(C)[n+]1CCCN1CCOCC1 ZINC000033405735 221791668 /nfs/dbraw/zinc/79/16/68/221791668.db2.gz VKGRSCMEXOSJDA-UHFFFAOYSA-N 1 0 396.580 3.854 50 10 GHCARO COc1ccc(N2CC[NH+](C[C@@H](O)COc3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000096134158 536698801 /nfs/dbraw/zinc/69/88/01/536698801.db2.gz VPLABWWWZXHFLG-OAQYLSRUSA-N 1 0 398.547 3.555 50 10 aggregator GHCARO OCC[C@@H]1C[N@H+](Cc2c(O)ccc3ccccc32)CCN1Cc1ccc(F)cc1 ZINC000023358028 570356162 /nfs/dbraw/zinc/35/61/62/570356162.db2.gz HPAHXJQSTSDATJ-OAQYLSRUSA-N 1 0 394.490 3.753 50 10 GHCARO CC(C)[NH2+]CCCNc1ccc2c3c(cc(=O)n2C)-c2ccccc2C(=O)c13 ZINC000071766957 570652392 /nfs/dbraw/zinc/65/23/92/570652392.db2.gz UMVAYDXMFJRUSW-UHFFFAOYSA-N 1 0 375.472 3.550 50 10 GHCARO COc1ccc(O)c(C[NH+]2CCC3(C[C@H]3C(=O)Nc3cccc(F)c3)CC2)c1 ZINC000011964873 858307084 /nfs/dbraw/zinc/30/70/84/858307084.db2.gz MXAGIWXXMQDRAL-IBGZPJMESA-N 1 0 384.451 3.781 50 10 GHCARO COc1cccc(C[N@@H+]2CC3(CCOCC3)[C@@H]2c2cnn(C(C)(C)C)c2)c1O ZINC000585093513 897345980 /nfs/dbraw/zinc/34/59/80/897345980.db2.gz VIAZWJBUPPBDGE-FQEVSTJZSA-N 1 0 385.508 3.706 50 10 GHCARO CN1CCc2cc([C@H](CNC(=O)CCc3ccccc3)[NH+]3CCCC3)ccc21 ZINC000008963304 221065268 /nfs/dbraw/zinc/06/52/68/221065268.db2.gz FJAHARSEJTZAPY-QHCPKHFHSA-N 1 0 377.532 3.565 50 10 GHCARO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000012571616 221208137 /nfs/dbraw/zinc/20/81/37/221208137.db2.gz FJUGVUWMCSBHEL-HSZRJFAPSA-N 1 0 383.488 3.789 50 10 GHCARO CCN(CC)c1ccc(C[N@H+]2CCC(=O)N(Cc3ccc(OC)cc3)CC2)cc1 ZINC000014889592 221318524 /nfs/dbraw/zinc/31/85/24/221318524.db2.gz FHTUQBFSMZRROH-UHFFFAOYSA-N 1 0 395.547 3.776 50 10 GHCARO CCC(=O)N(c1ccc(OC)cc1)C1CC[NH+](Cc2cccc(OC)c2O)CC1 ZINC000034683222 570301073 /nfs/dbraw/zinc/30/10/73/570301073.db2.gz FWYMGWGPNALPLG-UHFFFAOYSA-N 1 0 398.503 3.817 50 10 GHCARO CN1CCc2cc([C@@H](CNC(=O)c3ccc(F)c(F)c3)[NH+]3CCCC3)ccc21 ZINC000008963351 221065124 /nfs/dbraw/zinc/06/51/24/221065124.db2.gz BGECZPXOTFDARA-OAQYLSRUSA-N 1 0 385.458 3.524 50 10 GHCARO CCc1cc2c(C)cc(=O)oc2c(C[N@H+](C)Cc2ccc3c(c2)OCCO3)c1[O-] ZINC000012972037 221250500 /nfs/dbraw/zinc/25/05/00/221250500.db2.gz STTRENAYTQXANX-UHFFFAOYSA-N 1 0 395.455 3.773 50 10 GHCARO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000014949402 221318804 /nfs/dbraw/zinc/31/88/04/221318804.db2.gz XIGCUNPIAMJICU-QHCPKHFHSA-N 1 0 383.488 3.789 50 10 GHCARO [O-][n+]1ccc(Nc2ccc(O)c(C[NH+]3CCC(O)CC3)c2)c2ccc(Cl)cc21 ZINC000071767103 222195153 /nfs/dbraw/zinc/19/51/53/222195153.db2.gz OVXGXIWHSYWOJS-UHFFFAOYSA-N 1 0 399.878 3.533 50 10 GHCARO COc1ccc(N2C(=O)[n+]3ccccc3C2C(=O)Nc2c(C)cccc2C)cc1 ZINC000005006266 570394634 /nfs/dbraw/zinc/39/46/34/570394634.db2.gz HDUZQMWZSMERDB-OAQYLSRUSA-O 1 0 388.447 3.768 50 10 GHCARO OCC[C@@H]1CN(Cc2cc(Cl)ccc2O)CC[N@@H+]1CCCc1ccccc1 ZINC000019635747 571022283 /nfs/dbraw/zinc/02/22/83/571022283.db2.gz VJXUNKKGEDZDFP-OAQYLSRUSA-N 1 0 388.939 3.547 50 10 GHCARO CN1CC[NH+]([C@H]2Cc3ccccc3Sc3ccc(N4CCOCC4)cc32)CC1 ZINC000095696716 913660752 /nfs/dbraw/zinc/66/07/52/913660752.db2.gz BPSRTAPGDDZPEC-NRFANRHFSA-N 1 0 395.572 3.519 50 10 GHCARO CCOc1ccc([C@]2(O)CN(c3ccc(Cl)cc3)C3=[N+]2CCCS3)cc1 ZINC000017307541 221382738 /nfs/dbraw/zinc/38/27/38/221382738.db2.gz SGHFRVFVJAVDIR-HXUWFJFHSA-N 1 0 389.928 3.909 50 10 GHCARO COc1ccc(N2CC[NH+]([C@@H]3CCCN(Cc4ccccc4F)C3)CC2)cc1 ZINC000019850620 570225515 /nfs/dbraw/zinc/22/55/15/570225515.db2.gz PNRHJDVXRCZVRA-OAQYLSRUSA-N 1 0 383.511 3.621 50 10 GHCARO CN1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)ccc2O)N3)C1 ZINC000006732674 570557753 /nfs/dbraw/zinc/55/77/53/570557753.db2.gz JROGYPQNSRRQEU-CQSZACIVSA-N 1 0 394.294 3.633 50 10 GHCARO CC[C@@H](C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1)c1ccccc1 ZINC000032765335 570802859 /nfs/dbraw/zinc/80/28/59/570802859.db2.gz QHZWPBHQFHPATF-HSZRJFAPSA-N 1 0 395.547 3.517 50 10 GHCARO Cc1cccc(CC(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCC2)c1 ZINC000016838242 221372824 /nfs/dbraw/zinc/37/28/24/221372824.db2.gz VVGVKVMTDSTPQD-DEOSSOPVSA-N 1 0 391.559 3.873 50 10 GHCARO COc1ccc(N2CC[NH+](C[C@H](O)COc3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000020109756 221472721 /nfs/dbraw/zinc/47/27/21/221472721.db2.gz VPLABWWWZXHFLG-NRFANRHFSA-N 1 0 398.547 3.555 50 10 aggregator GHCARO COc1ccc([N+]2=C3SCCCN3[C@](O)(c3ccc(Cl)cc3)C2)cc1 ZINC000002965938 570525408 /nfs/dbraw/zinc/52/54/08/570525408.db2.gz ZBXMHEHVAWOJHT-LJQANCHMSA-N 1 0 375.901 3.519 50 10 GHCARO CCc1cc(=O)oc2c1ccc([O-])c2C[N@H+](C)C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000409414817 529508649 /nfs/dbraw/zinc/50/86/49/529508649.db2.gz XNCKFHGJSHCZLC-FXAWDEMLSA-N 1 0 384.520 3.757 50 10 biogenic GHCARO CCOc1ccc([C@@]2(O)C[N+](c3ccc(CC)cc3)=C3SCCCN32)cc1 ZINC000002684576 220553091 /nfs/dbraw/zinc/55/30/91/220553091.db2.gz ODWLICCSAWDURZ-QFIPXVFZSA-N 1 0 383.537 3.818 50 10 GHCARO CN1CCc2cc([C@H](CNC(=O)c3ccc(F)cc3)[NH+]3CCCCC3)ccc21 ZINC000013007722 221257033 /nfs/dbraw/zinc/25/70/33/221257033.db2.gz XJTJWOCXKFVVGI-QFIPXVFZSA-N 1 0 381.495 3.775 50 10 GHCARO COc1ccc2ccc(O)c(C[NH+]3CCC(c4nnc5ccccn54)CC3)c2c1 ZINC000014184717 221302802 /nfs/dbraw/zinc/30/28/02/221302802.db2.gz QELYRDGAYZDRPM-UHFFFAOYSA-N 1 0 388.471 3.976 50 10 GHCARO COc1cccc([C@H]2CC(c3ccc(C)c(C)c3)=NC3(CC[NH+](C)CC3)N2)c1O ZINC000065298304 222122440 /nfs/dbraw/zinc/12/24/40/222122440.db2.gz WAXYYIIJYPPVEB-OAQYLSRUSA-N 1 0 393.531 3.963 50 10 biogenic GHCARO CN1CCCc2cc([C@@H](CNC(=O)c3ccc(F)cc3)[NH+]3CCCC3)ccc21 ZINC000013008220 536397625 /nfs/dbraw/zinc/39/76/25/536397625.db2.gz KGDWGEDREIRPOF-JOCHJYFZSA-N 1 0 381.495 3.775 50 10 GHCARO CN1CCCc2cc([C@H](CNC(=O)c3cccc(F)c3)[NH+]3CCCC3)ccc21 ZINC000013008230 536397652 /nfs/dbraw/zinc/39/76/52/536397652.db2.gz FNNXILWAPXLIEC-QFIPXVFZSA-N 1 0 381.495 3.775 50 10 GHCARO CCc1ccc(NC(=O)NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000006785730 570592101 /nfs/dbraw/zinc/59/21/01/570592101.db2.gz CIEQORNFVSLBHM-UHFFFAOYSA-N 1 0 396.535 3.591 50 10 GHCARO C[N@H+](Cc1cc(Br)cc(Br)c1[O-])C1CCC([NH3+])CC1 ZINC000170597529 860395735 /nfs/dbraw/zinc/39/57/35/860395735.db2.gz NHGWMSVFHALQOB-UHFFFAOYSA-N 1 0 392.135 3.619 50 10 GHCARO CN(C)c1ccc([C@@H]2C[C@H]3CN(CCc4ccccc4)C(=O)[C@]34CCC[N@H+]24)cc1 ZINC000011937590 221139092 /nfs/dbraw/zinc/13/90/92/221139092.db2.gz VVRDMFUPIGVGMO-RSEQLOHWSA-N 1 0 389.543 3.733 50 10 GHCARO COc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCC2)cc1 ZINC000016838187 221372184 /nfs/dbraw/zinc/37/21/84/221372184.db2.gz DIVSZZDKIVGKHV-QHCPKHFHSA-N 1 0 393.531 3.645 50 10 GHCARO CSc1ccc2c(c1)[C@H]([NH+]1CCN(CCO)CC1)Cc1ccccc1S2 ZINC000022859274 570331261 /nfs/dbraw/zinc/33/12/61/570331261.db2.gz STMRSBFWRHDXLV-LJQANCHMSA-N 1 0 386.586 3.767 50 10 GHCARO CN1CCc2cc([C@H](CNC(=O)Nc3ccc(F)cc3)[NH+]3CCCC3)ccc21 ZINC000035597202 570400064 /nfs/dbraw/zinc/40/00/64/570400064.db2.gz JUJOLJUDGSFVJZ-NRFANRHFSA-N 1 0 382.483 3.777 50 10 GHCARO CCOc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1OCC ZINC000005097754 570416993 /nfs/dbraw/zinc/41/69/93/570416993.db2.gz LMWPFNPDKFVRSR-HXUWFJFHSA-N 1 0 399.535 3.583 50 10 GHCARO Oc1ccc(-c2ncccn2)cc1C[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000023158241 848972606 /nfs/dbraw/zinc/97/26/06/848972606.db2.gz JUPMTTDUZJRXSY-XBXARRHUSA-N 1 0 386.499 3.680 50 10 GHCARO COc1ccc([C@]2(O)C[N+](c3cccc(C)c3C)=C3SCCCN32)c(F)c1 ZINC000004086763 220679595 /nfs/dbraw/zinc/67/95/95/220679595.db2.gz ZECBRKOKGPNOTB-OAQYLSRUSA-N 1 0 387.500 3.622 50 10 GHCARO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000014949399 221319007 /nfs/dbraw/zinc/31/90/07/221319007.db2.gz XIGCUNPIAMJICU-HSZRJFAPSA-N 1 0 383.488 3.789 50 10 GHCARO COc1ccc([C@@]2(O)CN(c3ccc(Cl)cc3)C3=[N+]2CCCS3)cc1 ZINC000016953444 221373504 /nfs/dbraw/zinc/37/35/04/221373504.db2.gz WEDIZHLJZFDESA-IBGZPJMESA-N 1 0 375.901 3.519 50 10 GHCARO COc1ccc(COC[C@H](O)C[N@H+](Cc2ccco2)Cc2ccccc2O)cc1 ZINC000006082934 570238673 /nfs/dbraw/zinc/23/86/73/570238673.db2.gz UTHQOGRCZCRLBQ-HXUWFJFHSA-N 1 0 397.471 3.574 50 10 GHCARO CC[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(O)c(OC)c3)=NN12 ZINC000005093403 570415871 /nfs/dbraw/zinc/41/58/71/570415871.db2.gz CYILUWOXRHDJTG-LJQANCHMSA-N 1 0 393.487 3.756 50 10 GHCARO COc1ccc([C@]2(O)C[N+](c3cc(C)ccc3C)=C3SCCCN32)c(F)c1 ZINC000002965853 570524989 /nfs/dbraw/zinc/52/49/89/570524989.db2.gz NWCJKZDJELDKPF-OAQYLSRUSA-N 1 0 387.500 3.622 50 10 GHCARO CC[N@@H+]1CCC[C@@H]1CNC(=S)N(Cc1ccccc1O)c1ccc(F)cc1 ZINC000032909056 570909902 /nfs/dbraw/zinc/90/99/02/570909902.db2.gz UCIDFUFQHOMRNC-LJQANCHMSA-N 1 0 387.524 3.897 50 10 GHCARO COc1ccc(Br)cc1C[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000003546938 862482701 /nfs/dbraw/zinc/48/27/01/862482701.db2.gz WQFIGEFQJWIWHD-UHFFFAOYSA-N 1 0 380.238 3.524 50 10 GHCARO Cc1ccc([N+]2=C3SCCCN3[C@@](O)(c3ccc(OC(F)F)cc3)C2)cc1 ZINC000004086725 862770008 /nfs/dbraw/zinc/77/00/08/862770008.db2.gz DZVYFNRDYLXMOW-FQEVSTJZSA-N 1 0 391.463 3.767 50 10 GHCARO CC[NH+]1CCN(Cc2c3c(ccc2O)oc(C)c3C(=O)NC2CCCCC2)CC1 ZINC000019794030 860369838 /nfs/dbraw/zinc/36/98/38/860369838.db2.gz VUSFJJKUHZXXCX-UHFFFAOYSA-N 1 0 399.535 3.647 50 10 GHCARO COc1ccc([C@]2(O)CN(c3ccc(Cl)cc3)C3=[N+]2CCCS3)cc1 ZINC000016953446 221373554 /nfs/dbraw/zinc/37/35/54/221373554.db2.gz WEDIZHLJZFDESA-LJQANCHMSA-N 1 0 375.901 3.519 50 10 GHCARO CC(=O)Oc1ccc2ccc(O)c(C[NH+]3CCN(c4ccc(F)cc4)CC3)c2c1 ZINC000095464577 136179393 /nfs/dbraw/zinc/17/93/93/136179393.db2.gz YDOOFMMHNMAGFE-UHFFFAOYSA-N 1 0 394.446 3.932 50 10 GHCARO CC[NH+]1CCC2(CC1)N=C(c1ccc(F)cc1)C[C@@H](c1cccc(OC)c1O)N2 ZINC000065298193 222121568 /nfs/dbraw/zinc/12/15/68/222121568.db2.gz YQVMSZNIOUBAPJ-FQEVSTJZSA-N 1 0 397.494 3.876 50 10 biogenic GHCARO Cc1cc(C)c(O)c(C[N@@H+]2CCc3[nH]nc(-c4ccc5c(c4)OCO5)c3C2)c1 ZINC000067726134 222157569 /nfs/dbraw/zinc/15/75/69/222157569.db2.gz WGCDTVMSEILGOJ-UHFFFAOYSA-N 1 0 377.444 3.686 50 10 GHCARO