smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(C[NH+]1CCC(C(=O)N2CCN(c3ccccc3F)CC2)CC1)Nc1ccc(F)cc1 ZINC000009067790 132226589 /nfs/dbraw/zinc/22/65/89/132226589.db2.gz FRZXFJMELGKYQF-UHFFFAOYSA-N 1 1 442.510 2.964 50 0 IFAAMO COc1ccccc1N1CC[NH+](C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1 ZINC000004199020 132270756 /nfs/dbraw/zinc/27/07/56/132270756.db2.gz MSVHJJQJXXXSOO-UHFFFAOYSA-N 1 1 433.549 2.810 50 0 IFAAMO COc1ccc(C)cc1CN1CCN(c2nc(N3CCCC3)[nH+]c(N3CCCC3)n2)CC1 ZINC000013000820 132341572 /nfs/dbraw/zinc/34/15/72/132341572.db2.gz JHGYVDUDGGNIGS-UHFFFAOYSA-N 1 1 437.592 2.711 50 0 IFAAMO CC(=O)c1ccc(N2CCN(CC(=O)N3CC[NH+]([C@H](C)c4ccccc4)CC3)CC2)cc1 ZINC000012527760 518349659 /nfs/dbraw/zinc/34/96/59/518349659.db2.gz JMHSQMBEUFHRPZ-OAQYLSRUSA-N 1 1 434.584 2.917 50 0 IFAAMO CC(=O)c1ccc(NC(=O)Cn2c(C)nc3c(c2=O)CC[N@H+](Cc2ccccc2)C3)cc1 ZINC000035456030 518364170 /nfs/dbraw/zinc/36/41/70/518364170.db2.gz GTRQGKUSZIJMKW-UHFFFAOYSA-N 1 1 430.508 2.951 50 0 IFAAMO CC(=O)c1ccc(NC(=O)Cn2c(C)nc3c(c2=O)CC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000035456030 518364174 /nfs/dbraw/zinc/36/41/74/518364174.db2.gz GTRQGKUSZIJMKW-UHFFFAOYSA-N 1 1 430.508 2.951 50 0 IFAAMO CC(C)Cc1ccc(C[N@@H+]2CCc3nnc([C@@H](NS(C)(=O)=O)C(C)C)n3CC2)cc1 ZINC000020783478 519438450 /nfs/dbraw/zinc/43/84/50/519438450.db2.gz RDOKXPBQCDIMRU-NRFANRHFSA-N 1 1 433.622 2.781 50 0 IFAAMO CC(C)OCCC[N@@H+](C)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)CC1 ZINC000021888031 519761898 /nfs/dbraw/zinc/76/18/98/519761898.db2.gz XVKRLUVUVXMKHQ-UHFFFAOYSA-N 1 1 437.606 2.861 50 0 IFAAMO CC(C)Oc1ccc(C[N@@H+]2CCc3nnc(CNC(=O)COc4ccccc4)n3CC2)cc1 ZINC000020598783 519779131 /nfs/dbraw/zinc/77/91/31/519779131.db2.gz PTGWGEUDQUUFJB-UHFFFAOYSA-N 1 1 449.555 2.819 50 0 IFAAMO CCN(CC(=O)Nc1ccc(OC)cc1)CC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000012790374 520359579 /nfs/dbraw/zinc/35/95/79/520359579.db2.gz NAHDLTUSNWKTIX-UHFFFAOYSA-N 1 1 438.572 2.608 50 0 IFAAMO CCOC(=O)C1=C(C[NH+]2CCC(C)CC2)N(C)C(=O)N[C@H]1c1cc(OC)ccc1OC ZINC000035991187 520511721 /nfs/dbraw/zinc/51/17/21/520511721.db2.gz RNTFDWLXWYWOMH-NRFANRHFSA-N 1 1 431.533 2.949 50 0 IFAAMO CCOC(=O)C1=C(C[N@H+]2CCC[C@H](C(=O)OCC)C2)N(CC)C(=O)N[C@@H]1c1ccccc1 ZINC000035991433 520511911 /nfs/dbraw/zinc/51/19/11/520511911.db2.gz SWAYBVRZRWRULQ-GHTZIAJQSA-N 1 1 443.544 2.865 50 0 IFAAMO CCOC(=O)C1=C(C[N@@H+]2CCC[C@H](C(=O)OCC)C2)N(CC)C(=O)N[C@@H]1c1ccccc1 ZINC000035991433 520511914 /nfs/dbraw/zinc/51/19/14/520511914.db2.gz SWAYBVRZRWRULQ-GHTZIAJQSA-N 1 1 443.544 2.865 50 0 IFAAMO CC1CCC2(CC1)NC(=O)N(CN1CC[NH+](CCOc3ccc(Cl)cc3)CC1)C2=O ZINC000022804645 520964393 /nfs/dbraw/zinc/96/43/93/520964393.db2.gz JNGXUAXDPUVMEH-UHFFFAOYSA-N 1 1 434.968 2.795 50 0 IFAAMO CC[NH+]1CCN(C(=O)[C@H]2CCCCN2C(=O)c2cc(-c3ccc(OC)cc3)on2)CC1 ZINC000035989286 521669114 /nfs/dbraw/zinc/66/91/14/521669114.db2.gz BCJQDCLICAWZFU-HXUWFJFHSA-N 1 1 426.517 2.509 50 0 IFAAMO CCOCCCNC(=O)C1CC[NH+](Cc2nc(-c3ccc(OC)c(OC)c3)no2)CC1 ZINC000021880558 521710335 /nfs/dbraw/zinc/71/03/35/521710335.db2.gz JHTVVJJCRNAIPT-UHFFFAOYSA-N 1 1 432.521 2.509 50 0 IFAAMO CC[N@@H+]1CCc2nc(NC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)sc2C1 ZINC000021295362 521724776 /nfs/dbraw/zinc/72/47/76/521724776.db2.gz AIRGHAIFHHIBTE-UHFFFAOYSA-N 1 1 440.616 2.622 50 0 IFAAMO CC[N@H+]1CCc2nc(NC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)sc2C1 ZINC000021295362 521724777 /nfs/dbraw/zinc/72/47/77/521724777.db2.gz AIRGHAIFHHIBTE-UHFFFAOYSA-N 1 1 440.616 2.622 50 0 IFAAMO CCc1nc(C)c(C[NH+]2CCC(Oc3cc(OC)ccc3C(=O)NCCOC)CC2)[nH]1 ZINC000012447548 522201207 /nfs/dbraw/zinc/20/12/07/522201207.db2.gz MDOLDRKTSOXHQP-UHFFFAOYSA-N 1 1 430.549 2.709 50 0 IFAAMO CC[C@H]([NH2+]Cc1nc2ccccc2c(=O)n1CC(N)=O)c1ccc(Br)cc1 ZINC000016695278 522669058 /nfs/dbraw/zinc/66/90/58/522669058.db2.gz OQJMOSNKCCELFV-INIZCTEOSA-N 1 1 429.318 2.885 50 0 IFAAMO C[N@@H+](CCCNC(=O)[C@@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1)C1CCCCC1 ZINC000021026965 522764102 /nfs/dbraw/zinc/76/41/02/522764102.db2.gz HHACJDXAVBINFQ-QGZVFWFLSA-N 1 1 448.637 2.652 50 0 IFAAMO COCC(=O)N[C@@H](CC(C)C)c1nnc2n1CC[N@H+](Cc1cc(C)c(OC)cc1C)CC2 ZINC000020786096 522771058 /nfs/dbraw/zinc/77/10/58/522771058.db2.gz XMCXPJUZBLEMJC-FQEVSTJZSA-N 1 1 443.592 2.812 50 0 IFAAMO COCC(=O)Nc1cnn(-c2ccc(C(=O)N3CC[N@H+](C)[C@@H](c4ccccc4)C3)cc2)c1 ZINC000020992722 522787462 /nfs/dbraw/zinc/78/74/62/522787462.db2.gz PWFKBCKIHLCBAF-JOCHJYFZSA-N 1 1 433.512 2.586 50 0 IFAAMO COCC(=O)Nc1cnn(-c2ccc(C(=O)N3CC[N@@H+](C)[C@@H](c4ccccc4)C3)cc2)c1 ZINC000020992722 522787473 /nfs/dbraw/zinc/78/74/73/522787473.db2.gz PWFKBCKIHLCBAF-JOCHJYFZSA-N 1 1 433.512 2.586 50 0 IFAAMO COCCCNC(=O)[C@@H]1Cc2ccc(OC)cc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000035911151 523353847 /nfs/dbraw/zinc/35/38/47/523353847.db2.gz WKZUHOYJWDCEEH-ISKFKSNPSA-N 1 1 441.547 2.850 50 0 IFAAMO COCCN(C(=O)C[C@@H]1C(=O)NCC[N@@H+]1CC(c1ccccc1)c1ccccc1)C(C)C ZINC000012055802 523537916 /nfs/dbraw/zinc/53/79/16/523537916.db2.gz JGQPTHSRRHRYCU-XMMPIXPASA-N 1 1 437.584 2.892 50 0 IFAAMO CCn1nc(C)c(CNC(=O)C[C@@H]2C(=O)NCC[N@H+]2Cc2cccc3ccccc32)c1C ZINC000012746004 523643385 /nfs/dbraw/zinc/64/33/85/523643385.db2.gz XOKIBURGXYEAFA-HSZRJFAPSA-N 1 1 433.556 2.680 50 0 IFAAMO CCn1nc(C)c(CNC(=O)C[C@@H]2C(=O)NCC[N@@H+]2Cc2cccc3ccccc32)c1C ZINC000012746004 523643392 /nfs/dbraw/zinc/64/33/92/523643392.db2.gz XOKIBURGXYEAFA-HSZRJFAPSA-N 1 1 433.556 2.680 50 0 IFAAMO CCn1nc(C)c(CNC(=O)C[C@H]2C(=O)NCC[N@H+]2Cc2cccc3ccccc32)c1C ZINC000012745995 523644889 /nfs/dbraw/zinc/64/48/89/523644889.db2.gz XOKIBURGXYEAFA-QHCPKHFHSA-N 1 1 433.556 2.680 50 0 IFAAMO CCn1nc(C)c(CNC(=O)C[C@H]2C(=O)NCC[N@@H+]2Cc2cccc3ccccc32)c1C ZINC000012745995 523644895 /nfs/dbraw/zinc/64/48/95/523644895.db2.gz XOKIBURGXYEAFA-QHCPKHFHSA-N 1 1 433.556 2.680 50 0 IFAAMO CN(C(=O)C[C@@H]1C(=O)NCC[N@@H+]1CC(c1ccccc1)c1ccccc1)C1CCOCC1 ZINC000012582637 523842250 /nfs/dbraw/zinc/84/22/50/523842250.db2.gz HLZWZSCPUHAHRU-XMMPIXPASA-N 1 1 435.568 2.646 50 0 IFAAMO COc1ccc(C[N@@H+]2CCc3nnc([C@H](CC(C)C)NC(C)=O)n3CC2)c(OC)c1C ZINC000020599665 524039536 /nfs/dbraw/zinc/03/95/36/524039536.db2.gz YVSFJZWPHOHEOD-IBGZPJMESA-N 1 1 429.565 2.885 50 0 IFAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)CCCN1c2cc(-c3cccn3C)nn2CCC1=O ZINC000021644820 524101850 /nfs/dbraw/zinc/10/18/50/524101850.db2.gz JRMKMFYEGBYHJY-LJQANCHMSA-N 1 1 440.592 2.786 50 0 IFAAMO COc1ccccc1/C=C/C[N@@H+]1CCc2nnc([C@H](C)NC(=O)c3cccnc3)n2CC1 ZINC000012457490 524319822 /nfs/dbraw/zinc/31/98/22/524319822.db2.gz ZFNLVUWQZQERTH-YOCVDRLZSA-N 1 1 432.528 2.744 50 0 IFAAMO C[C@H](C[N@@H+]1CCc2nnc(CCNC(=O)Cc3ccc(F)cc3)n2CC1)c1ccccc1 ZINC000012097947 524361807 /nfs/dbraw/zinc/36/18/07/524361807.db2.gz FREKWMRLBGUJCC-LJQANCHMSA-N 1 1 435.547 2.980 50 0 IFAAMO COc1ccc(N2C(=O)C[C@@H](N3CC[NH+](CCOc4ccccc4)CC3)C2=O)cc1Cl ZINC000022807874 524389383 /nfs/dbraw/zinc/38/93/83/524389383.db2.gz FIWHIVUWVBNVPS-HXUWFJFHSA-N 1 1 443.931 2.677 50 0 IFAAMO Cc1cc(C)cc(N([C@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)S(C)(=O)=O)c1 ZINC000020482066 524408703 /nfs/dbraw/zinc/40/87/03/524408703.db2.gz BENLWLVDZRKLRO-HXUWFJFHSA-N 1 1 429.586 2.802 50 0 IFAAMO COc1ccccc1CN1CCC[C@@H](CN(CC[NH+](C)C)C(=O)C(=O)c2ccco2)C1 ZINC000012585069 524448398 /nfs/dbraw/zinc/44/83/98/524448398.db2.gz JWAQVEQNJQXDRD-LJQANCHMSA-N 1 1 427.545 2.773 50 0 IFAAMO Cc1ccc(C[N@H+]2CC[C@@H](CNS(=O)(=O)c3ccc(-c4ccc(=O)[nH]n4)s3)C2)cc1 ZINC000020583712 524468326 /nfs/dbraw/zinc/46/83/26/524468326.db2.gz XDDNXIJGBYLZLP-KRWDZBQOSA-N 1 1 444.582 2.607 50 0 IFAAMO COc1ccccc1CNC(=O)[C@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)c1ccccc1 ZINC000035485255 524477931 /nfs/dbraw/zinc/47/79/31/524477931.db2.gz MEHUBOUEQWKJQN-LADGPHEKSA-N 1 1 429.520 2.883 50 0 IFAAMO COc1ccc(OC)c(S(=O)(=O)NC[C@H](c2ccc3c(c2)OCO3)[NH+]2CCCC2)c1 ZINC000012197453 524879677 /nfs/dbraw/zinc/87/96/77/524879677.db2.gz ZTFNHTQMGXIWBS-QGZVFWFLSA-N 1 1 434.514 2.548 50 0 IFAAMO Cc1ccc(NC(=O)C[NH+]2CCC(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)cc1 ZINC000022735895 525051542 /nfs/dbraw/zinc/05/15/42/525051542.db2.gz VUXGATRKKRUYMP-UHFFFAOYSA-N 1 1 434.584 2.990 50 0 IFAAMO COc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)OCO3)[NH+]2CCCC2)c(OC)c1 ZINC000012197445 525062752 /nfs/dbraw/zinc/06/27/52/525062752.db2.gz NYPGQAJQPFEYTJ-KRWDZBQOSA-N 1 1 434.514 2.548 50 0 IFAAMO COc1ccc2c(C)c(CCC(=O)N3CC[NH+](CCc4ccncc4)CC3)c(=O)oc2c1 ZINC000020592226 525497701 /nfs/dbraw/zinc/49/77/01/525497701.db2.gz MSAQKQGYJVFHAF-UHFFFAOYSA-N 1 1 435.524 2.825 50 0 IFAAMO Cc1ccc(S(=O)(=O)N2CCC[N@H+](C[C@@H](O)COc3ccc(Cl)cc3)CC2)cc1 ZINC000012918376 525530245 /nfs/dbraw/zinc/53/02/45/525530245.db2.gz GKCWUCOXOGNSJQ-LJQANCHMSA-N 1 1 438.977 2.785 50 0 IFAAMO Cc1ccc(S(=O)(=O)N2CCC[N@@H+](C[C@@H](O)COc3ccc(Cl)cc3)CC2)cc1 ZINC000012918376 525530252 /nfs/dbraw/zinc/53/02/52/525530252.db2.gz GKCWUCOXOGNSJQ-LJQANCHMSA-N 1 1 438.977 2.785 50 0 IFAAMO Cc1c2cc3c(cc2oc(=O)c1CCC(=O)N1CC[NH+](CCO)CC1)oc1c3CCCC1 ZINC000020622286 525963995 /nfs/dbraw/zinc/96/39/95/525963995.db2.gz SFVDJUDQRABYIS-UHFFFAOYSA-N 1 1 438.524 2.796 50 0 IFAAMO Cc1c2oc3c(c2cc2c(C)c(CC(=O)N4CC[NH+](CCO)CC4)c(=O)oc12)CCCC3 ZINC000020648672 525997617 /nfs/dbraw/zinc/99/76/17/525997617.db2.gz SDOBTWKAYJKZPO-UHFFFAOYSA-N 1 1 438.524 2.714 50 0 IFAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)Cn1c2ccccc2n(Cc2ccccc2)c(=O)c1=O ZINC000021944372 526247403 /nfs/dbraw/zinc/24/74/03/526247403.db2.gz FJFWLRHIKZJWIE-FQEVSTJZSA-N 1 1 448.567 2.592 50 0 IFAAMO Cc1nn(CCCC(=O)N2CC[NH+](Cc3ccccc3)CC2)c(=O)c2cc3occc3n21 ZINC000020866293 526279572 /nfs/dbraw/zinc/27/95/72/526279572.db2.gz HGAKSNBNUCLCJY-UHFFFAOYSA-N 1 1 433.512 2.675 50 0 IFAAMO Cc1nn(CN2CC[NH+](Cc3cccs3)CC2)c(C)c1S(=O)(=O)N1CCCCC1 ZINC000022797673 526283116 /nfs/dbraw/zinc/28/31/16/526283116.db2.gz QPPVODRUYRZEIB-UHFFFAOYSA-N 1 1 437.635 2.511 50 0 IFAAMO O=C(CCc1cnccn1)N1CCC[C@H](CCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000020539633 526638812 /nfs/dbraw/zinc/63/88/12/526638812.db2.gz DYLWYXUYHXJMBB-HSZRJFAPSA-N 1 1 449.599 2.772 50 0 IFAAMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCN(C(=O)[C@H]4CCCO4)CC3)c2c1C ZINC000022343576 526890041 /nfs/dbraw/zinc/89/00/41/526890041.db2.gz WDNIGASGIQNPFM-QGZVFWFLSA-N 1 1 429.590 2.732 50 0 IFAAMO Cc1ccc(Cl)cc1NC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]c(C)n2)CC1 ZINC000021795882 526970350 /nfs/dbraw/zinc/97/03/50/526970350.db2.gz FVQWFAUIIDCLDB-UHFFFAOYSA-N 1 1 430.940 2.938 50 0 IFAAMO O=C(C[S@](=O)Cc1cnn(-c2ccccc2)c1-n1cccc1)NCC[NH+]1CCCCC1 ZINC000021109781 527193005 /nfs/dbraw/zinc/19/30/05/527193005.db2.gz HMLLUMDFUIFZBE-HKBQPEDESA-N 1 1 439.585 2.514 50 0 IFAAMO Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000022475986 527199363 /nfs/dbraw/zinc/19/93/63/527199363.db2.gz PVNNBAFHBDZWDO-UHFFFAOYSA-N 1 1 446.477 2.689 50 0 IFAAMO O=c1ccc(-c2ccc(S(=O)(=O)NCC[N@@H+](Cc3ccco3)C3CCCC3)s2)n[nH]1 ZINC000020984991 527483863 /nfs/dbraw/zinc/48/38/63/527483863.db2.gz VRFFUTLWGKPPMB-UHFFFAOYSA-N 1 1 448.570 2.815 50 0 IFAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1ccc2c(c1)nc1n(c2=O)CCCCC1 ZINC000022754303 527572988 /nfs/dbraw/zinc/57/29/88/527572988.db2.gz FYGFGXHLPCBARQ-UHFFFAOYSA-N 1 1 438.572 2.888 50 0 IFAAMO Cc1ccccc1C(=O)N1CCc2nc(N3CC[NH+](C)CC3)nc(N3CCC(C)CC3)c2C1 ZINC000034676723 555794748 /nfs/dbraw/zinc/79/47/48/555794748.db2.gz WBHNCXQLVNDDJG-UHFFFAOYSA-N 1 1 448.615 2.972 50 0 IFAAMO Cc1cccc(C(=O)N2CCc3nc(N4CC[NH+](C)CC4)nc(N4CCC(C)CC4)c3C2)c1 ZINC000034676726 555794753 /nfs/dbraw/zinc/79/47/53/555794753.db2.gz UEQZFRBVUPHMOS-UHFFFAOYSA-N 1 1 448.615 2.972 50 0 IFAAMO COc1cccc(Oc2nc(N3CC[NH+](C)CC3)nc3c2CN(C(=O)c2ccco2)CC3)c1 ZINC000034757585 555902330 /nfs/dbraw/zinc/90/23/30/555902330.db2.gz TXPSLOPPSKOSDB-UHFFFAOYSA-N 1 1 449.511 2.821 50 0 IFAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc2n(n1)CCN(Cc1ccc(F)cc1)C2=O ZINC000034810981 555908857 /nfs/dbraw/zinc/90/88/57/555908857.db2.gz DGVFVMCRCGPAIT-KRWDZBQOSA-N 1 1 427.524 2.673 50 0 IFAAMO COCC(=O)N[C@H](C)[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccc(OC)cc1 ZINC000034855621 555924345 /nfs/dbraw/zinc/92/43/45/555924345.db2.gz MZRXUTUVUULZTI-VOIUYBSRSA-N 1 1 428.529 2.963 50 0 IFAAMO COCC(=O)N[C@H](C)[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000034855621 555924346 /nfs/dbraw/zinc/92/43/46/555924346.db2.gz MZRXUTUVUULZTI-VOIUYBSRSA-N 1 1 428.529 2.963 50 0 IFAAMO COc1ccc([C@@H]2N(C(=O)C[NH+]3CCCCC3)CCN2S(=O)(=O)c2ccccc2)cc1 ZINC000003640893 555943346 /nfs/dbraw/zinc/94/33/46/555943346.db2.gz KTCAZEPAQXCZBX-HSZRJFAPSA-N 1 1 443.569 2.713 50 0 IFAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)C1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000032731387 556283280 /nfs/dbraw/zinc/28/32/80/556283280.db2.gz KFSYKIYOIOCNAY-UHFFFAOYSA-N 1 1 449.542 2.968 50 0 IFAAMO CCc1nn2c(nc(C[NH2+][C@H](C)c3ccc(S(=O)(=O)N(CC)CC)cc3)cc2=O)s1 ZINC000032759429 556319552 /nfs/dbraw/zinc/31/95/52/556319552.db2.gz KLPPGVVYCOPAKI-CQSZACIVSA-N 1 1 449.602 2.595 50 0 IFAAMO CSc1ccc(C[N@@H+]2C[C@H](Sc3nccn3C)C[C@H]2C(=O)N2CCOCC2)cc1 ZINC000011786558 556353488 /nfs/dbraw/zinc/35/34/88/556353488.db2.gz FOEUGAGWERASQW-MOPGFXCFSA-N 1 1 432.615 2.736 50 0 IFAAMO CSc1ccc(C[N@H+]2C[C@H](Sc3nccn3C)C[C@H]2C(=O)N2CCOCC2)cc1 ZINC000011786558 556353491 /nfs/dbraw/zinc/35/34/91/556353491.db2.gz FOEUGAGWERASQW-MOPGFXCFSA-N 1 1 432.615 2.736 50 0 IFAAMO C[C@@H](NC(=O)COc1ccccc1)c1nnc2n1CC[N@@H+](Cc1ccc(F)c(F)c1)CC2 ZINC000011788193 556354567 /nfs/dbraw/zinc/35/45/67/556354567.db2.gz WMHPQSNKHSKAFM-MRXNPFEDSA-N 1 1 441.482 2.871 50 0 IFAAMO C[C@@H](NC(=O)COc1ccccc1)c1nnc2n1CC[N@H+](Cc1ccc(F)c(F)c1)CC2 ZINC000011788193 556354573 /nfs/dbraw/zinc/35/45/73/556354573.db2.gz WMHPQSNKHSKAFM-MRXNPFEDSA-N 1 1 441.482 2.871 50 0 IFAAMO COc1ccc(OC[C@@H](O)C[NH+]2CCC(O)CC2)c(CNCc2ccc(Cl)s2)c1 ZINC000011843501 556366715 /nfs/dbraw/zinc/36/67/15/556366715.db2.gz SQGOEPBBLSFNHZ-KRWDZBQOSA-N 1 1 440.993 2.896 50 0 IFAAMO COc1ccc(CN2CCN(c3ccccc3)C(=O)C2)cc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000011873061 556369565 /nfs/dbraw/zinc/36/95/65/556369565.db2.gz ZSZVISHQZLECAT-QFIPXVFZSA-N 1 1 441.572 2.624 50 0 IFAAMO O=C(NCc1nnc2n1CC[N@H+](Cc1ccc3ncccc3c1)CC2)c1cccc(F)c1 ZINC000011909099 556374387 /nfs/dbraw/zinc/37/43/87/556374387.db2.gz NPBZYZGAAWSADP-UHFFFAOYSA-N 1 1 430.487 2.954 50 0 IFAAMO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000014129611 556374456 /nfs/dbraw/zinc/37/44/56/556374456.db2.gz NOOGSQKYXXLPNB-VQIMIIECSA-N 1 1 449.598 2.933 50 0 IFAAMO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[N@H+]1CCC[C@@H]1c1cccs1 ZINC000014129611 556374459 /nfs/dbraw/zinc/37/44/59/556374459.db2.gz NOOGSQKYXXLPNB-VQIMIIECSA-N 1 1 449.598 2.933 50 0 IFAAMO Cc1occc1C(=O)N[C@@H](C)c1nnc2n1CC[N@H+](Cc1ccc3c(c1)OCCO3)CC2 ZINC000011996089 556384188 /nfs/dbraw/zinc/38/41/88/556384188.db2.gz RJHIFDDCOIEWJL-HNNXBMFYSA-N 1 1 437.500 2.500 50 0 IFAAMO COC(=O)C1CCN(Cc2ccc(OC[C@@H](O)C[N@H+](C)Cc3ccccc3)cc2)CC1 ZINC000012053014 556392861 /nfs/dbraw/zinc/39/28/61/556392861.db2.gz OEVIGGXVUBRPLC-QHCPKHFHSA-N 1 1 426.557 2.943 50 0 IFAAMO COC(=O)C1CCN(Cc2ccc(OC[C@@H](O)C[N@@H+](C)Cc3ccccc3)cc2)CC1 ZINC000012053014 556392864 /nfs/dbraw/zinc/39/28/64/556392864.db2.gz OEVIGGXVUBRPLC-QHCPKHFHSA-N 1 1 426.557 2.943 50 0 IFAAMO COc1ccccc1CC[N@H+]1CCC[C@H](CN(C)C(=O)Cn2cnc3ccccc3c2=O)C1 ZINC000012074674 556397213 /nfs/dbraw/zinc/39/72/13/556397213.db2.gz JFCSXBKGDJWQCP-HXUWFJFHSA-N 1 1 448.567 2.818 50 0 IFAAMO COc1ccc(OC)c([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)c1 ZINC000014244246 556403880 /nfs/dbraw/zinc/40/38/80/556403880.db2.gz PBBWDCYHFZPDJP-HZPDHXFCSA-N 1 1 449.573 2.940 50 0 IFAAMO COc1ccc([C@H]2N(C(=O)C[NH+]3CCCC3)CCCN2S(=O)(=O)c2ccccc2)cc1 ZINC000012420634 556404318 /nfs/dbraw/zinc/40/43/18/556404318.db2.gz NPGSJLDIAVZVJF-QHCPKHFHSA-N 1 1 443.569 2.713 50 0 IFAAMO O=c1c(Cl)c(NCCC[NH+]2CCOCC2)cnn1CCOc1ccc(Cl)cc1 ZINC000032837480 556418733 /nfs/dbraw/zinc/41/87/33/556418733.db2.gz ZSULXGNHZCLLEN-UHFFFAOYSA-N 1 1 427.332 2.763 50 0 IFAAMO O=C1N[C@@H](CSCc2ccccc2)C(=O)N2CC[N@H+](Cc3ccc4ncccc4c3)C[C@H]12 ZINC000014534871 556422833 /nfs/dbraw/zinc/42/28/33/556422833.db2.gz CHQAKAXFZKDFMQ-XZOQPEGZSA-N 1 1 446.576 2.679 50 0 IFAAMO O=C1N[C@@H](CSCc2ccccc2)C(=O)N2CC[N@@H+](Cc3ccc4ncccc4c3)C[C@H]12 ZINC000014534871 556422836 /nfs/dbraw/zinc/42/28/36/556422836.db2.gz CHQAKAXFZKDFMQ-XZOQPEGZSA-N 1 1 446.576 2.679 50 0 IFAAMO C[NH+](C)CCCN1C(=O)N(CCc2ccccc2)C2(CCN(Cc3cccnc3)CC2)C1=O ZINC000014733404 556437504 /nfs/dbraw/zinc/43/75/04/556437504.db2.gz RNSAKFVYFCYOHC-UHFFFAOYSA-N 1 1 449.599 2.875 50 0 IFAAMO OCC[NH+]1CCN(c2nc3c(cnn3-c3ccccc3)c(Nc3cccc(F)c3)n2)CC1 ZINC000028406140 556454035 /nfs/dbraw/zinc/45/40/35/556454035.db2.gz GOLRJFUNZUSRMJ-UHFFFAOYSA-N 1 1 433.491 2.813 50 0 IFAAMO COc1ccc(C[N@@H+]2CCc3nnc(CNC(=O)CCc4cccnc4)n3CC2)c(C)c1C ZINC000014882161 556454174 /nfs/dbraw/zinc/45/41/74/556454174.db2.gz PYMNXVMVBUCKAM-UHFFFAOYSA-N 1 1 448.571 2.606 50 0 IFAAMO Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NC[C@H](C)CN3CC[NH+](C)CC3)c12 ZINC000072283836 556474772 /nfs/dbraw/zinc/47/47/72/556474772.db2.gz YLPVPFKEMDNNQQ-INIZCTEOSA-N 1 1 426.609 2.985 50 0 IFAAMO O=C(C(=O)N1CCC2(C[C@H]2C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1)c1ccccc1 ZINC000014993051 556476161 /nfs/dbraw/zinc/47/61/61/556476161.db2.gz SDNURDMSHUZZPR-QHCPKHFHSA-N 1 1 445.563 2.842 50 0 IFAAMO CCOc1cc(C[N@@H+]2CCc3nnc([C@H](CC(C)C)NC(C)=O)n3CC2)ccc1OC ZINC000014994370 556476827 /nfs/dbraw/zinc/47/68/27/556476827.db2.gz ZHTVQEOWGNMTEY-IBGZPJMESA-N 1 1 429.565 2.967 50 0 IFAAMO CCOc1cc(C[N@@H+]2CCc3nnc([C@@H](CC(C)C)NC(C)=O)n3CC2)ccc1OC ZINC000014994367 556476876 /nfs/dbraw/zinc/47/68/76/556476876.db2.gz ZHTVQEOWGNMTEY-LJQANCHMSA-N 1 1 429.565 2.967 50 0 IFAAMO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1 ZINC000072286677 556478722 /nfs/dbraw/zinc/47/87/22/556478722.db2.gz GUJXRCHJXAGPQO-QTEAWJPNSA-N 1 1 428.602 2.893 50 0 IFAAMO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1 ZINC000072286676 556478830 /nfs/dbraw/zinc/47/88/30/556478830.db2.gz GUJXRCHJXAGPQO-ADSBAMQRSA-N 1 1 428.602 2.893 50 0 IFAAMO COc1ccccc1C[NH+]1CCN(c2cccc3c2C(=O)N(C[C@@H]2CCCO2)C3=O)CC1 ZINC000015000026 556479363 /nfs/dbraw/zinc/47/93/63/556479363.db2.gz FYDIWTYUXOMDGF-IBGZPJMESA-N 1 1 435.524 2.792 50 0 IFAAMO COCc1c(C(=O)N2CC[NH+](C(C)C)CC2)cnn1-c1nccc(-c2ccccc2F)n1 ZINC000015066694 556493133 /nfs/dbraw/zinc/49/31/33/556493133.db2.gz DWCNIYVRLKDOIC-UHFFFAOYSA-N 1 1 438.507 2.781 50 0 IFAAMO Cc1c(C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000030515670 556496159 /nfs/dbraw/zinc/49/61/59/556496159.db2.gz BDIVVWIXKHSHRW-MRXNPFEDSA-N 1 1 425.455 2.681 50 0 IFAAMO COc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1S(=O)(=O)NC1CCCC1 ZINC000013165035 556497635 /nfs/dbraw/zinc/49/76/35/556497635.db2.gz RNFCQZZUFREQQI-KRWDZBQOSA-N 1 1 435.546 2.542 50 0 IFAAMO COc1ccc2c(c1)C[C@H](NC(=O)NCCC[NH+]1CCN(Cc3ccccc3)CC1)CO2 ZINC000022938110 556507909 /nfs/dbraw/zinc/50/79/09/556507909.db2.gz JANOWEXRSMGTKM-QFIPXVFZSA-N 1 1 438.572 2.506 50 0 IFAAMO O=C1Nc2ccc(Cl)cc2[C@]12[C@@H]1C(=O)N(CCc3ccccc3)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12 ZINC000013573617 556524074 /nfs/dbraw/zinc/52/40/74/556524074.db2.gz CJPJSMBXTYOCDO-FDGPYGQJSA-N 1 1 435.911 2.809 50 0 IFAAMO O=C1Nc2ccc(Cl)cc2[C@]12[C@@H]1C(=O)N(CCc3ccccc3)C(=O)[C@@H]1[C@H]1CCC[N@H+]12 ZINC000013573617 556524077 /nfs/dbraw/zinc/52/40/77/556524077.db2.gz CJPJSMBXTYOCDO-FDGPYGQJSA-N 1 1 435.911 2.809 50 0 IFAAMO C[C@@H]1C[N@H+](CCCNC(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)C[C@H](C)O1 ZINC000032899237 556528209 /nfs/dbraw/zinc/52/82/09/556528209.db2.gz UOWMCJOYSXIYAX-CALCHBBNSA-N 1 1 449.548 2.856 50 0 IFAAMO COc1ccc(C[N@H+](CC(=O)Nc2ccc(OC)c(S(=O)(=O)N(C)C)c2)C2CC2)cc1 ZINC000015486086 556530493 /nfs/dbraw/zinc/53/04/93/556530493.db2.gz ZJVHZZHJHHFPDO-UHFFFAOYSA-N 1 1 447.557 2.557 50 0 IFAAMO COc1ccc(C[N@@H+](CC(=O)Nc2ccc(OC)c(S(=O)(=O)N(C)C)c2)C2CC2)cc1 ZINC000015486086 556530494 /nfs/dbraw/zinc/53/04/94/556530494.db2.gz ZJVHZZHJHHFPDO-UHFFFAOYSA-N 1 1 447.557 2.557 50 0 IFAAMO O[C@@H](COc1c(F)cc(Br)cc1F)C[NH+]1CCN(c2ccccn2)CC1 ZINC000015724545 556545769 /nfs/dbraw/zinc/54/57/69/556545769.db2.gz QVUWGZAONKROAU-CQSZACIVSA-N 1 1 428.277 2.684 50 0 IFAAMO CC[N@@H+](CC(=O)NCc1ccc(S(N)(=O)=O)cc1)[C@@H](Cc1ccc(C)cc1)C1CC1 ZINC000072305219 556550209 /nfs/dbraw/zinc/55/02/09/556550209.db2.gz WUCWAHDFYDVXDH-QFIPXVFZSA-N 1 1 429.586 2.602 50 0 IFAAMO C[C@@H](C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)N1CCN(c2[nH+]ccn2C)CC1 ZINC000072308099 556563182 /nfs/dbraw/zinc/56/31/82/556563182.db2.gz CNRLAVPQHBGYAO-ZDUSSCGKSA-N 1 1 432.500 2.971 50 0 IFAAMO CCOC(=O)C1C(CN2CC[N@@H+](C)CC23CCCCC3)=NC(=O)N[C@H]1c1ccccc1 ZINC000072308922 556568124 /nfs/dbraw/zinc/56/81/24/556568124.db2.gz GSCUQVMOUJKJRB-NRFANRHFSA-N 1 1 426.561 2.808 50 0 IFAAMO CCOC(=O)C1=C(CN2CC[N@H+](C)CC23CCCCC3)NC(=O)N[C@H]1c1ccccc1 ZINC000072308922 556568128 /nfs/dbraw/zinc/56/81/28/556568128.db2.gz GSCUQVMOUJKJRB-NRFANRHFSA-N 1 1 426.561 2.808 50 0 IFAAMO CCOC(=O)C1=C(CN2CC[N@@H+](C)CC23CCCCC3)NC(=O)N[C@H]1c1ccccc1 ZINC000072308922 556568129 /nfs/dbraw/zinc/56/81/29/556568129.db2.gz GSCUQVMOUJKJRB-NRFANRHFSA-N 1 1 426.561 2.808 50 0 IFAAMO CC[NH+]1CCN(C(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)CC1 ZINC000016347271 556601543 /nfs/dbraw/zinc/60/15/43/556601543.db2.gz PKYSNDYYFOPHLI-SFHVURJKSA-N 1 1 431.558 2.798 50 0 IFAAMO CC[NH+]1CCN(C(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)CC1 ZINC000016347267 556601572 /nfs/dbraw/zinc/60/15/72/556601572.db2.gz PKYSNDYYFOPHLI-GOSISDBHSA-N 1 1 431.558 2.798 50 0 IFAAMO CCn1c2ccc(C(=O)NC[C@@H](c3ccccc3Cl)[NH+]3CCCC3)cc2[nH]c(=O)c1=O ZINC000032988527 556608770 /nfs/dbraw/zinc/60/87/70/556608770.db2.gz FFVXQYGYDNDAJF-FQEVSTJZSA-N 1 1 440.931 2.930 50 0 IFAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000409414900 556641310 /nfs/dbraw/zinc/64/13/10/556641310.db2.gz YIDXDQPJEVULJJ-RBZQAINGSA-N 1 1 441.616 2.817 50 0 IFAAMO Cc1cccc(Nc2nc(N3CC[NH+](CCO)CC3)nc3c2cnn3-c2ccccc2)c1 ZINC000017135420 556669158 /nfs/dbraw/zinc/66/91/58/556669158.db2.gz JJFNISISAQXRBM-UHFFFAOYSA-N 1 1 429.528 2.982 50 0 IFAAMO COCC[N@H+](C)Cc1ccnc(NC(=O)CCNC(=O)c2ccc(Br)cc2)c1 ZINC000072314218 556695947 /nfs/dbraw/zinc/69/59/47/556695947.db2.gz XTBIGLGXSUUYFU-UHFFFAOYSA-N 1 1 449.349 2.681 50 0 IFAAMO COCC[N@@H+](C)Cc1ccnc(NC(=O)CCNC(=O)c2ccc(Br)cc2)c1 ZINC000072314218 556695948 /nfs/dbraw/zinc/69/59/48/556695948.db2.gz XTBIGLGXSUUYFU-UHFFFAOYSA-N 1 1 449.349 2.681 50 0 IFAAMO Cc1nc(C(=O)N2CCC[C@H]([NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cs1 ZINC000019229077 556717808 /nfs/dbraw/zinc/71/78/08/556717808.db2.gz GTYBLCVPELPGKR-SFHVURJKSA-N 1 1 428.558 2.603 50 0 IFAAMO O=C1Nc2ccc(F)cc2[C@@]12[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000138545763 556718769 /nfs/dbraw/zinc/71/87/69/556718769.db2.gz UMWHVBTZIYRUQL-KCXPTXFHSA-N 1 1 425.847 2.910 50 0 IFAAMO O=C1Nc2ccc(F)cc2[C@@]12[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000138545763 556718773 /nfs/dbraw/zinc/71/87/73/556718773.db2.gz UMWHVBTZIYRUQL-KCXPTXFHSA-N 1 1 425.847 2.910 50 0 IFAAMO COc1ccccc1N1CC[NH+]([C@H]2CCCN(C(=O)c3cc(C(C)C)nc(N)n3)C2)CC1 ZINC000055166590 556736638 /nfs/dbraw/zinc/73/66/38/556736638.db2.gz NHKPOXNTKQTDLM-SFHVURJKSA-N 1 1 438.576 2.618 50 0 IFAAMO Cc1c(C(=O)NCCC[N@H+]2CCCC[C@H]2C)sc2ncnc(N3CCN(C)CC3)c12 ZINC000033048295 556744531 /nfs/dbraw/zinc/74/45/31/556744531.db2.gz LKKNXZLCYYIHNA-MRXNPFEDSA-N 1 1 430.622 2.746 50 0 IFAAMO Cc1c(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)sc2ncnc(N3CCN(C)CC3)c12 ZINC000033048295 556744536 /nfs/dbraw/zinc/74/45/36/556744536.db2.gz LKKNXZLCYYIHNA-MRXNPFEDSA-N 1 1 430.622 2.746 50 0 IFAAMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000058014414 556753685 /nfs/dbraw/zinc/75/36/85/556753685.db2.gz NTHKUFSUXVQPSU-UHFFFAOYSA-N 1 1 432.933 2.771 50 0 IFAAMO Cc1ccc(-c2nnc(S[C@@H](C)C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)n2N)cc1 ZINC000058017867 556754201 /nfs/dbraw/zinc/75/42/01/556754201.db2.gz XCZHREQKUYQYLX-PXNSSMCTSA-N 1 1 436.585 2.839 50 0 IFAAMO COC(=O)c1ccccc1NC(=O)Cn1c(=O)c2c(nc1-c1ccc(C)cc1)CC[N@@H+](C)C2 ZINC000062007122 556765089 /nfs/dbraw/zinc/76/50/89/556765089.db2.gz NVTKVPIXMXJDPQ-UHFFFAOYSA-N 1 1 446.507 2.632 50 0 IFAAMO CC[N@H+]1CCc2nc(-c3ccccc3)n(CC(=O)Nc3cc(OC)cc(OC)c3)c(=O)c2C1 ZINC000062007125 556765101 /nfs/dbraw/zinc/76/51/01/556765101.db2.gz ICCLFRNVJMHNCT-UHFFFAOYSA-N 1 1 448.523 2.944 50 0 IFAAMO O=C(Nc1ccc(N2CCOCC2)cc1)[C@@H]1CCC[N@H+](Cc2nc(-c3cccnc3)no2)C1 ZINC000062022915 556766371 /nfs/dbraw/zinc/76/63/71/556766371.db2.gz NHJRNMQKXUMDIL-LJQANCHMSA-N 1 1 448.527 2.819 50 0 IFAAMO O=C(Nc1ccc(N2CCOCC2)cc1)[C@@H]1CCC[N@@H+](Cc2nc(-c3cccnc3)no2)C1 ZINC000062022915 556766373 /nfs/dbraw/zinc/76/63/73/556766373.db2.gz NHJRNMQKXUMDIL-LJQANCHMSA-N 1 1 448.527 2.819 50 0 IFAAMO Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+](CC(=O)NC(=O)NCc3ccccc3)C2)cc1 ZINC000058224355 556773474 /nfs/dbraw/zinc/77/34/74/556773474.db2.gz NAHJHZYLPDEULH-HXUWFJFHSA-N 1 1 437.544 2.855 50 0 IFAAMO Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](CC(=O)NC(=O)NCc3ccccc3)C2)cc1 ZINC000058224355 556773477 /nfs/dbraw/zinc/77/34/77/556773477.db2.gz NAHJHZYLPDEULH-HXUWFJFHSA-N 1 1 437.544 2.855 50 0 IFAAMO CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)CSc1ccc2c(c1)OCCO2 ZINC000058229457 556774083 /nfs/dbraw/zinc/77/40/83/556774083.db2.gz SGZZUVKLJNPPMB-KRWDZBQOSA-N 1 1 436.574 2.816 50 0 IFAAMO O=C(CCNS(=O)(=O)c1cccc(Cl)c1)N[C@H]1CC[N@H+](C2CCCCCC2)C1 ZINC000058230639 556774289 /nfs/dbraw/zinc/77/42/89/556774289.db2.gz QZVQJJPWXURJGL-KRWDZBQOSA-N 1 1 427.998 2.922 50 0 IFAAMO C[C@@H]1CN(c2ccc(NC(=O)NCCC[N@H+]3CCC[C@@H]3C(=O)N(C)C)cc2F)C[C@@H](C)O1 ZINC000058305112 556778711 /nfs/dbraw/zinc/77/87/11/556778711.db2.gz FLFBYGKGRXYZJP-CBGDNZLLSA-N 1 1 449.571 2.504 50 0 IFAAMO COCC[N@@H+](C)C[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1Cl ZINC000058364970 556783154 /nfs/dbraw/zinc/78/31/54/556783154.db2.gz HPZRNOPZUDJKHI-ZDUSSCGKSA-N 1 1 425.776 2.834 50 0 IFAAMO Cc1ccnc(N2CCC[C@H](C(=O)NCC[NH+]3CCN(c4cccc(Cl)c4)CC3)C2)n1 ZINC000065001278 556830207 /nfs/dbraw/zinc/83/02/07/556830207.db2.gz ANTYOUHZEDDGGV-IBGZPJMESA-N 1 1 442.995 2.593 50 0 IFAAMO Cc1ccc(NC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]c(C)n3)CC2)c(Cl)c1 ZINC000065362352 556834357 /nfs/dbraw/zinc/83/43/57/556834357.db2.gz IGIVUBOGUJOWTH-UHFFFAOYSA-N 1 1 430.940 2.938 50 0 IFAAMO Cc1cc(NC(=O)CN2CC[NH+](C[C@H](O)COc3ccc(C(C)(C)C)cc3C)CC2)no1 ZINC000096837094 556847000 /nfs/dbraw/zinc/84/70/00/556847000.db2.gz NFDAAKKBKSNIIX-FQEVSTJZSA-N 1 1 444.576 2.585 50 0 IFAAMO CCc1cc2c(ncnc2N2CCC[C@H](C(=O)NCCC[NH+]3CCN(CC)CC3)C2)s1 ZINC000033078334 556853285 /nfs/dbraw/zinc/85/32/85/556853285.db2.gz UOPTYBZNGOQLML-SFHVURJKSA-N 1 1 444.649 2.614 50 0 IFAAMO COCc1ccc(C[N@H+]2CCc3nnc([C@@H](NC(=O)c4ccccn4)C(C)C)n3CC2)o1 ZINC000019742757 556886717 /nfs/dbraw/zinc/88/67/17/556886717.db2.gz NFVAJLAGMCLZKN-NRFANRHFSA-N 1 1 438.532 2.598 50 0 IFAAMO COCc1ccc(C[N@@H+]2CCc3nnc([C@@H](NC(=O)c4ccccn4)C(C)C)n3CC2)o1 ZINC000019742757 556886718 /nfs/dbraw/zinc/88/67/18/556886718.db2.gz NFVAJLAGMCLZKN-NRFANRHFSA-N 1 1 438.532 2.598 50 0 IFAAMO Cn1cc(C(=O)N2CC[C@@H]([NH+]3CCN(c4ccccc4F)CC3)[C@H](O)C2)c2ccccc21 ZINC000019742712 556886738 /nfs/dbraw/zinc/88/67/38/556886738.db2.gz ZIFPEOIOKMZILI-DNQXCXABSA-N 1 1 436.531 2.715 50 0 IFAAMO Cc1ccc(-c2ccnc(-n3ncc(C(=O)NCCC[NH+]4CCOCC4)c3C3CC3)n2)o1 ZINC000019746025 556891972 /nfs/dbraw/zinc/89/19/72/556891972.db2.gz SKUPKSHWLJDNHA-UHFFFAOYSA-N 1 1 436.516 2.560 50 0 IFAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)C2CCN(c3ccc(N4CCCCC4)nn3)CC2)C1 ZINC000033256198 556895291 /nfs/dbraw/zinc/89/52/91/556895291.db2.gz XJETWZCVCRKICM-HXUWFJFHSA-N 1 1 428.625 2.922 50 0 IFAAMO Cc1ccc(NC(=O)N2CCN(c3cc(N4CC[NH+](C)CC4)ncn3)CC2)cc1Cl ZINC000072115814 556897836 /nfs/dbraw/zinc/89/78/36/556897836.db2.gz BSUWABGUXJDFPG-UHFFFAOYSA-N 1 1 429.956 2.544 50 0 IFAAMO CN1CCN(C[C@H](O)COc2ccc(C[NH2+]CC3C4CC5CC(C4)CC3C5)cc2)CC1 ZINC000019789607 556914497 /nfs/dbraw/zinc/91/44/97/556914497.db2.gz VWOJONJYXGATPA-OWXPVBEESA-N 1 1 427.633 2.836 50 0 IFAAMO O=C(NCCc1nnc2n1CC[N@@H+](Cc1ccccc1C(F)(F)F)CC2)c1ccoc1 ZINC000019836261 556927950 /nfs/dbraw/zinc/92/79/50/556927950.db2.gz NUYBMEVJVXDGAB-UHFFFAOYSA-N 1 1 433.434 2.921 50 0 IFAAMO O=C(NCCc1nnc2n1CC[N@H+](Cc1ccccc1C(F)(F)F)CC2)c1ccoc1 ZINC000019836261 556927953 /nfs/dbraw/zinc/92/79/53/556927953.db2.gz NUYBMEVJVXDGAB-UHFFFAOYSA-N 1 1 433.434 2.921 50 0 IFAAMO O=C(NCCc1nnc2n1CC[N@H+](Cc1ccc(OC(F)(F)F)cc1)CC2)C1CCC1 ZINC000019836937 556928445 /nfs/dbraw/zinc/92/84/45/556928445.db2.gz CYSKYHWFPINNHH-UHFFFAOYSA-N 1 1 437.466 2.694 50 0 IFAAMO O=C(NCC1(c2ccccc2)CCCC1)[C@@H]1CCC(=O)N(CCC[NH+]2CCOCC2)C1 ZINC000019839969 556929083 /nfs/dbraw/zinc/92/90/83/556929083.db2.gz IZZSPNLMJVEZSB-OAQYLSRUSA-N 1 1 427.589 2.576 50 0 IFAAMO O=C([C@@H]1CCC(=O)N(CCC[NH+]2CCOCC2)C1)N1CCC(CCc2ccccc2)CC1 ZINC000019839266 556929195 /nfs/dbraw/zinc/92/91/95/556929195.db2.gz BZTNTINBHLKDAR-XMMPIXPASA-N 1 1 441.616 2.819 50 0 IFAAMO O=C([C@H]1CCCCN1S(=O)(=O)c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019902775 556942310 /nfs/dbraw/zinc/94/23/10/556942310.db2.gz HDCVTGMPTXIULD-JOCHJYFZSA-N 1 1 427.570 2.574 50 0 IFAAMO COc1ccc(OC)c(Nc2nc(N)nc(CN3CC[NH+](Cc4ccccc4)CC3)n2)c1 ZINC000019944413 556954233 /nfs/dbraw/zinc/95/42/33/556954233.db2.gz VWLQAPAHUFVAFM-UHFFFAOYSA-N 1 1 435.532 2.532 50 0 IFAAMO Cc1cc(=O)c(C(=O)NC(C)C)c(Cc2cccc(F)c2)n1CCC[NH+]1CCOCC1 ZINC000020234570 557001912 /nfs/dbraw/zinc/00/19/12/557001912.db2.gz NRQMHOKTXZNGHF-UHFFFAOYSA-N 1 1 429.536 2.747 50 0 IFAAMO CCOC(=O)C1C(CN2CC[NH+](C3CCCCC3)CC2)=NC(=O)N[C@H]1c1ccccc1 ZINC000020283429 557005334 /nfs/dbraw/zinc/00/53/34/557005334.db2.gz JOJGFLLLLDLUJC-QFIPXVFZSA-N 1 1 426.561 2.808 50 0 IFAAMO CN(C(=O)CN1CC[NH+](Cc2ccccc2)CC1)c1ccccc1C(=O)NCc1ccco1 ZINC000022779682 557042584 /nfs/dbraw/zinc/04/25/84/557042584.db2.gz CRKONUXXBHTDJZ-UHFFFAOYSA-N 1 1 446.551 2.990 50 0 IFAAMO Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000048299134 557061277 /nfs/dbraw/zinc/06/12/77/557061277.db2.gz ACZBQTRNHLXXJJ-FQEVSTJZSA-N 1 1 428.537 2.700 50 0 IFAAMO COCCNC(=O)c1ccc(C[N@@H+]2CCc3c(c(C(=O)Nc4ccccc4)nn3C)C2)cc1 ZINC000033280374 557062962 /nfs/dbraw/zinc/06/29/62/557062962.db2.gz UZLNRIQIDZCROG-UHFFFAOYSA-N 1 1 447.539 2.607 50 0 IFAAMO COCCNC(=O)c1ccc(C[N@H+]2CCc3c(c(C(=O)Nc4ccccc4)nn3C)C2)cc1 ZINC000033280374 557062964 /nfs/dbraw/zinc/06/29/64/557062964.db2.gz UZLNRIQIDZCROG-UHFFFAOYSA-N 1 1 447.539 2.607 50 0 IFAAMO Cc1[nH+]ccn1-c1ccc(NC(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)cc1F ZINC000048302609 557064041 /nfs/dbraw/zinc/06/40/41/557064041.db2.gz HJXOSARMQQXHMI-UHFFFAOYSA-N 1 1 435.459 2.815 50 0 IFAAMO COc1ccc(C(=O)NCCc2nnc3n2CC[N@H+](Cc2ccc(C)cc2C)CC3)cc1 ZINC000023129515 557066344 /nfs/dbraw/zinc/06/63/44/557066344.db2.gz LIGPRRNQAOJCQJ-UHFFFAOYSA-N 1 1 433.556 2.934 50 0 IFAAMO O=C(CCN1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc21)NCCC[NH+]1CCOCC1 ZINC000023289044 557082121 /nfs/dbraw/zinc/08/21/21/557082121.db2.gz AKZZHWAXHZXWGO-RUZDIDTESA-N 1 1 446.551 2.942 50 0 IFAAMO Cn1cc(C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000023358516 557086959 /nfs/dbraw/zinc/08/69/59/557086959.db2.gz VJCGKDZFWWZBIC-UHFFFAOYSA-N 1 1 448.523 2.905 50 0 IFAAMO CSc1ncc(C[N@@H+]2CCC[C@@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)cn1 ZINC000023368765 557088308 /nfs/dbraw/zinc/08/83/08/557088308.db2.gz QQSOMGKOUKOWPN-IBGZPJMESA-N 1 1 440.617 2.935 50 0 IFAAMO CSc1ncc(C[N@H+]2CCC[C@@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)cn1 ZINC000023368765 557088312 /nfs/dbraw/zinc/08/83/12/557088312.db2.gz QQSOMGKOUKOWPN-IBGZPJMESA-N 1 1 440.617 2.935 50 0 IFAAMO CN(C)c1ncc(C[N@H+]2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)s1 ZINC000023375078 557088929 /nfs/dbraw/zinc/08/89/29/557088929.db2.gz KYGROXJYROIEMT-LJQANCHMSA-N 1 1 443.617 2.720 50 0 IFAAMO COc1ccc(CCNC(=O)C[NH+]2CCC(c3nnc(-c4ccco4)o3)CC2)cc1OC ZINC000049372043 557094676 /nfs/dbraw/zinc/09/46/76/557094676.db2.gz HZUDGNAFFOFQQN-UHFFFAOYSA-N 1 1 440.500 2.885 50 0 IFAAMO COc1cccc([C@@H](C)NC(=O)Cn2c(C)nc3c(c2=O)C[N@@H+](Cc2ccccc2)CC3)c1 ZINC000049400880 557096639 /nfs/dbraw/zinc/09/66/39/557096639.db2.gz MSYRLAWLHGAMMW-GOSISDBHSA-N 1 1 446.551 2.996 50 0 IFAAMO COc1ccc(NC(=O)N2CCN(c3cc(N4CCCC4)nc(C)[nH+]3)CC2)cc1OC ZINC000033318631 557100264 /nfs/dbraw/zinc/10/02/64/557100264.db2.gz IDHADLIZHDRCAR-UHFFFAOYSA-N 1 1 426.521 2.757 50 0 IFAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000409413333 557109447 /nfs/dbraw/zinc/10/94/47/557109447.db2.gz IBJUFGNQYYAZML-YTFSRNRJSA-N 1 1 427.589 2.775 50 0 IFAAMO COc1ccc([C@@H](CNS(=O)(=O)c2ccc3c(c2)OCCCO3)[NH+]2CCCC2)cc1 ZINC000023994262 557130555 /nfs/dbraw/zinc/13/05/55/557130555.db2.gz WFGNYUQAXGZDPQ-HXUWFJFHSA-N 1 1 432.542 2.972 50 0 IFAAMO 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COc1ccc(CN(C)Cc2nnc(C)o2)cc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000012588140 524007714 /nfs/dbraw/zinc/00/77/14/524007714.db2.gz LMFZCJNTIZKKBH-NRFANRHFSA-N 1 1 440.544 2.890 50 0 IFAAMO COc1ccccc1C[NH2+]Cc1ccc(OC[C@H](O)CN2CCSCC2)c(OC)c1 ZINC000012315813 524487699 /nfs/dbraw/zinc/48/76/99/524487699.db2.gz MJMQSHFNXXVEOG-HXUWFJFHSA-N 1 1 432.586 2.782 50 0 IFAAMO Cc1ccc(Cn2cnc3sc4c(c3c2=O)CC[C@@H]([N@H+]2CCCN(C=O)CC2)C4)cc1 ZINC000012510406 524775694 /nfs/dbraw/zinc/77/56/94/524775694.db2.gz ZRKCPQQDOWEMJQ-LJQANCHMSA-N 1 1 436.581 2.836 50 0 IFAAMO C[C@@H]1CN(C(=O)c2nc3ccc(Cl)cn3c2CNCC[NH+]2CCCCC2)C[C@H](C)O1 ZINC000020992372 524886610 /nfs/dbraw/zinc/88/66/10/524886610.db2.gz UGZPJKCKMUKMQD-CALCHBBNSA-N 1 1 433.984 2.813 50 0 IFAAMO COc1ccc(OCc2nc3c4c(C)c(C)n(CC[NH+]5CCOCC5)c4ncn3n2)cc1 ZINC000020573503 524976542 /nfs/dbraw/zinc/97/65/42/524976542.db2.gz PAVNLDHPEIUVCL-UHFFFAOYSA-N 1 1 436.516 2.616 50 0 IFAAMO Cc1ccccc1-n1cc(C[NH2+]Cc2c(C(=O)N3CCOCC3)nc3ccccn32)cn1 ZINC000012203185 525032348 /nfs/dbraw/zinc/03/23/48/525032348.db2.gz OTRZUROOGXQYAA-UHFFFAOYSA-N 1 1 430.512 2.591 50 0 IFAAMO Cc1cc(O[C@@H](C)C(=O)NCCC[NH+]2CCOCC2)c2c(c1)oc(=O)c1c2CCCC1 ZINC000020547464 525378346 /nfs/dbraw/zinc/37/83/46/525378346.db2.gz QDHJVAGTTAYUOQ-KRWDZBQOSA-N 1 1 428.529 2.586 50 0 IFAAMO Cc1ccc(OCCN(C)Cc2c(C(=O)N3CCC[N@@H+](C)CC3)nc3sccn23)cc1 ZINC000020540386 525419008 /nfs/dbraw/zinc/41/90/08/525419008.db2.gz FNNLLWMSOWKQTD-UHFFFAOYSA-N 1 1 441.601 2.993 50 0 IFAAMO C[C@@H](On1nnc2ccc(C(F)(F)F)cc21)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012551146 525967884 /nfs/dbraw/zinc/96/78/84/525967884.db2.gz NRMOQBQQHYEEHO-OAHLLOKOSA-N 1 1 433.434 2.612 50 0 IFAAMO C[C@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000012380426 525981708 /nfs/dbraw/zinc/98/17/08/525981708.db2.gz YMINRELBLAEXJF-QGZVFWFLSA-N 1 1 435.977 2.839 50 0 IFAAMO C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[N@H+](C)CCOc1ccccc1F ZINC000012860408 526144925 /nfs/dbraw/zinc/14/49/25/526144925.db2.gz CNAHMNJKQULHAR-QGZVFWFLSA-N 1 1 449.548 2.948 50 0 IFAAMO C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[N@@H+](C)CCOc1ccccc1F ZINC000012860408 526144938 /nfs/dbraw/zinc/14/49/38/526144938.db2.gz CNAHMNJKQULHAR-QGZVFWFLSA-N 1 1 449.548 2.948 50 0 IFAAMO O=C(CC1=CSC2=NCCN12)N1CCC[C@@H]([NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000012433179 526340050 /nfs/dbraw/zinc/34/00/50/526340050.db2.gz VZDFCJZUDDRTDF-QGZVFWFLSA-N 1 1 429.565 2.589 50 0 IFAAMO c1ccc(-n2nnnc2C2([NH+]3CCN(c4ncccn4)CC3)C3CC4CC(C3)CC2C4)cc1 ZINC000035170791 526458769 /nfs/dbraw/zinc/45/87/69/526458769.db2.gz LLPATKHHASKDIX-UHFFFAOYSA-N 1 1 442.571 2.926 50 0 IFAAMO O=C(NC[C@H]1CCC[N@H+](C2CCN(Cc3ccccn3)CC2)C1)c1ccc2c(c1)OCO2 ZINC000012447915 526595024 /nfs/dbraw/zinc/59/50/24/526595024.db2.gz JOBFKXSJSIURPS-LJQANCHMSA-N 1 1 436.556 2.917 50 0 IFAAMO O=C(CCn1c(=O)c2cccn2c2cccnc21)NCCC[N@H+]1CCc2ccccc2C1 ZINC000020512772 526667212 /nfs/dbraw/zinc/66/72/12/526667212.db2.gz LEDGLBWCNSOSIW-UHFFFAOYSA-N 1 1 429.524 2.604 50 0 IFAAMO O=C(CN1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2cccs2)CC1)Nc1ccc(F)cc1 ZINC000035278994 526761685 /nfs/dbraw/zinc/76/16/85/526761685.db2.gz HYLLAVXULLTION-LJQANCHMSA-N 1 1 430.549 2.807 50 0 IFAAMO O=C1NC2(CCCCCC2)C(=O)N1CN1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000022803335 527060208 /nfs/dbraw/zinc/06/02/08/527060208.db2.gz MFDFXSKLLVNCMY-UHFFFAOYSA-N 1 1 434.968 2.939 50 0 IFAAMO O=C1N[C@@]2(CCCCc3ccccc32)C(=O)N1CN1CC[NH+](CCOc2ccccc2)CC1 ZINC000023258020 527084641 /nfs/dbraw/zinc/08/46/41/527084641.db2.gz JBODALILMHIUFN-AREMUKBSSA-N 1 1 448.567 2.814 50 0 IFAAMO O=C(NC1CCCC1)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000035807636 527507489 /nfs/dbraw/zinc/50/74/89/527507489.db2.gz SAPRKDGLPXUFSO-DNQXCXABSA-N 1 1 430.552 2.969 50 0 IFAAMO O=C(C[N@@H+]1CCC[C@H]1c1cccs1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000009712304 555617267 /nfs/dbraw/zinc/61/72/67/555617267.db2.gz FAKOYARPCLDTFI-SFHVURJKSA-N 1 1 435.571 2.545 50 0 IFAAMO O=C(C[N@H+]1CCC[C@H]1c1cccs1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000009712304 555617268 /nfs/dbraw/zinc/61/72/68/555617268.db2.gz FAKOYARPCLDTFI-SFHVURJKSA-N 1 1 435.571 2.545 50 0 IFAAMO CC[NH+]1CCN(C(=O)c2csc(CN3CCN(c4cccc(Cl)c4)CC3)n2)CC1 ZINC000034669015 555792721 /nfs/dbraw/zinc/79/27/21/555792721.db2.gz SXGAVYPCSGSSOM-UHFFFAOYSA-N 1 1 434.009 2.896 50 0 IFAAMO CC1CCN(c2nc(N3CC[NH+](C)CC3)nc3c2CN(C(=O)c2cccs2)CC3)CC1 ZINC000034676714 555794621 /nfs/dbraw/zinc/79/46/21/555794621.db2.gz WYIZVLDQWVSMGT-UHFFFAOYSA-N 1 1 440.617 2.725 50 0 IFAAMO Cc1ccc(NC(=O)c2coc(CN3CC[NH+](C[C@H](O)COCC(C)C)CC3)n2)cc1F ZINC000034677460 555795613 /nfs/dbraw/zinc/79/56/13/555795613.db2.gz MZRBJCAWGGOHGB-IBGZPJMESA-N 1 1 448.539 2.526 50 0 IFAAMO Cc1ccc(F)c(NC(=O)c2coc(CN3CC[NH+](C[C@H](O)COCC(C)C)CC3)n2)c1 ZINC000034677330 555795816 /nfs/dbraw/zinc/79/58/16/555795816.db2.gz DNFUPCGGEGSPPR-SFHVURJKSA-N 1 1 448.539 2.526 50 0 IFAAMO COc1ccc(CN2CCn3nc(C(=O)NCCC[N@H+]4CCCC[C@H]4C)cc3C2=O)cc1 ZINC000034811528 555909178 /nfs/dbraw/zinc/90/91/78/555909178.db2.gz HCLAURJDSOUOKS-GOSISDBHSA-N 1 1 439.560 2.542 50 0 IFAAMO COCC(=O)N[C@@H](C)[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccc(OC)cc1 ZINC000034855620 555924324 /nfs/dbraw/zinc/92/43/24/555924324.db2.gz MZRXUTUVUULZTI-UPCLLVRISA-N 1 1 428.529 2.963 50 0 IFAAMO COCC(=O)N[C@@H](C)[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000034855620 555924327 /nfs/dbraw/zinc/92/43/27/555924327.db2.gz MZRXUTUVUULZTI-UPCLLVRISA-N 1 1 428.529 2.963 50 0 IFAAMO COCC(=O)N[C@@H](C)[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccc(OC)cc1 ZINC000034855622 555924350 /nfs/dbraw/zinc/92/43/50/555924350.db2.gz MZRXUTUVUULZTI-FYSMJZIKSA-N 1 1 428.529 2.963 50 0 IFAAMO COCC(=O)N[C@@H](C)[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000034855622 555924352 /nfs/dbraw/zinc/92/43/52/555924352.db2.gz MZRXUTUVUULZTI-FYSMJZIKSA-N 1 1 428.529 2.963 50 0 IFAAMO CC[NH+]1CCN(C(=O)[C@H]2COC3(CCC(C)CC3)N2C(=O)c2cccc(OC)c2)CC1 ZINC000034921085 555931548 /nfs/dbraw/zinc/93/15/48/555931548.db2.gz IGRWYZRWXUHDOD-RUPGZQMFSA-N 1 1 429.561 2.607 50 0 IFAAMO COc1cccc(NC(=O)COc2ccc(C(=S)N3CC[NH+](C)CC3)cc2OC)c1 ZINC000009233244 556262025 /nfs/dbraw/zinc/26/20/25/556262025.db2.gz PQEMUNANUDMICN-UHFFFAOYSA-N 1 1 429.542 2.644 50 0 IFAAMO CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000013711797 556284462 /nfs/dbraw/zinc/28/44/62/556284462.db2.gz AOOASYRDZJCKBR-OKILXGFUSA-N 1 1 433.505 2.800 50 0 IFAAMO O=C(Cc1ccc(F)cc1)NCCc1nnc2n1CC[N@@H+](Cc1ccc(F)c(F)c1)CC2 ZINC000011813029 556356287 /nfs/dbraw/zinc/35/62/87/556356287.db2.gz ICNIUMHYNXWPIZ-UHFFFAOYSA-N 1 1 443.473 2.655 50 0 IFAAMO O=C(Cc1ccc(F)cc1)NCCc1nnc2n1CC[N@H+](Cc1ccc(F)c(F)c1)CC2 ZINC000011813029 556356290 /nfs/dbraw/zinc/35/62/90/556356290.db2.gz ICNIUMHYNXWPIZ-UHFFFAOYSA-N 1 1 443.473 2.655 50 0 IFAAMO CCc1[nH+]ccn1CCC(=O)N1CCC[C@H](CCC(=O)N(C)CCc2ccccn2)C1 ZINC000011817715 556360112 /nfs/dbraw/zinc/36/01/12/556360112.db2.gz BCQWTNUIEHDIRT-HXUWFJFHSA-N 1 1 425.577 2.951 50 0 IFAAMO COc1ccc(OC[C@H](O)C[NH+]2CCC(O)CC2)c(CNCc2ccc(Cl)s2)c1 ZINC000011843500 556366704 /nfs/dbraw/zinc/36/67/04/556366704.db2.gz SQGOEPBBLSFNHZ-QGZVFWFLSA-N 1 1 440.993 2.896 50 0 IFAAMO C[C@@H](NC(=O)CCc1ccccc1)c1nnc2n1CC[N@H+](Cc1ccc3c(c1)OCO3)CC2 ZINC000011868017 556368617 /nfs/dbraw/zinc/36/86/17/556368617.db2.gz QPOFPGYRKAJJGI-GOSISDBHSA-N 1 1 447.539 2.875 50 0 IFAAMO COc1ccccc1/C=C/C[N@@H+]1CCc2nnc(CNC(=O)Cc3ccccc3)n2CC1 ZINC000011908909 556374359 /nfs/dbraw/zinc/37/43/59/556374359.db2.gz WGWIJXFYTCHYLD-YRNVUSSQSA-N 1 1 431.540 2.717 50 0 IFAAMO COC(=O)C1CC[NH+](C[C@H](O)COc2cccc(CN(C)Cc3ccc(C)o3)c2)CC1 ZINC000011954361 556380666 /nfs/dbraw/zinc/38/06/66/556380666.db2.gz FDHVTAKBPGAKPR-NRFANRHFSA-N 1 1 430.545 2.845 50 0 IFAAMO O=C([C@H]1CCC[N@@H+](Cc2nc(Cc3cccc(C(F)(F)F)c3)no2)C1)N1CCOCC1 ZINC000012031293 556388929 /nfs/dbraw/zinc/38/89/29/556388929.db2.gz CRIJXQYTOBDCGW-INIZCTEOSA-N 1 1 438.450 2.750 50 0 IFAAMO O=C([C@H]1CCC[N@H+](Cc2nc(Cc3cccc(C(F)(F)F)c3)no2)C1)N1CCOCC1 ZINC000012031293 556388932 /nfs/dbraw/zinc/38/89/32/556388932.db2.gz CRIJXQYTOBDCGW-INIZCTEOSA-N 1 1 438.450 2.750 50 0 IFAAMO COc1ccc([C@H](CNC(=O)c2nn(-c3ccc(OC)cc3)ccc2=O)[NH+]2CCCC2)cc1 ZINC000028293381 556451000 /nfs/dbraw/zinc/45/10/00/556451000.db2.gz GIQCQIRSCNSXPR-QFIPXVFZSA-N 1 1 448.523 2.817 50 0 IFAAMO COc1ccccc1[C@H](CNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)[NH+](C)C ZINC000013114430 556466651 /nfs/dbraw/zinc/46/66/51/556466651.db2.gz OIWVVRLPPVFQIJ-NRFANRHFSA-N 1 1 445.585 2.903 50 0 IFAAMO COc1cc(C[N@H+]2CCCC[C@@H]2CCn2cc(C(=O)NC3CC3)nn2)cc(OC)c1OC ZINC000014981225 556470783 /nfs/dbraw/zinc/47/07/83/556470783.db2.gz HPPSKAPZUCMKOR-GOSISDBHSA-N 1 1 443.548 2.641 50 0 IFAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000013165069 556498068 /nfs/dbraw/zinc/49/80/68/556498068.db2.gz QABWXLRWXVRTKQ-UHFFFAOYSA-N 1 1 449.617 2.626 50 0 IFAAMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)CC1 ZINC000032893197 556521016 /nfs/dbraw/zinc/52/10/16/556521016.db2.gz IXXHGZUBMPXMSW-INIZCTEOSA-N 1 1 428.508 2.600 50 0 IFAAMO COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H]([C@H](C)O)[NH2+][C@]12C(=O)Nc1ccc(F)cc12 ZINC000013592306 556530329 /nfs/dbraw/zinc/53/03/29/556530329.db2.gz ALNSSYUUUQIIGH-XEUURLQDSA-N 1 1 433.867 2.633 50 0 IFAAMO COc1ccccc1OCc1nc2c3c(C)c(C)n(CC[NH+]4CCOCC4)c3ncn2n1 ZINC000013593152 556530990 /nfs/dbraw/zinc/53/09/90/556530990.db2.gz IUUIYEFUEAGPKJ-UHFFFAOYSA-N 1 1 436.516 2.616 50 0 IFAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)Nc1ccc(CN2CCOCC2)cc1 ZINC000015518158 556532599 /nfs/dbraw/zinc/53/25/99/556532599.db2.gz CBDGGJNBUHNWGZ-LJQANCHMSA-N 1 1 434.544 2.731 50 0 IFAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)Nc1ccc(CN2CCOCC2)cc1 ZINC000015518158 556532601 /nfs/dbraw/zinc/53/26/01/556532601.db2.gz CBDGGJNBUHNWGZ-LJQANCHMSA-N 1 1 434.544 2.731 50 0 IFAAMO Cc1nc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc(N2CCOCC2)[nH+]1 ZINC000015671206 556542171 /nfs/dbraw/zinc/54/21/71/556542171.db2.gz ABODGXRJYFSGFX-UHFFFAOYSA-N 1 1 435.450 2.603 50 0 IFAAMO COc1ccc(-c2csc(NC(=O)CN3CC[NH+](CCOC(C)C)CC3)n2)c(OC)c1 ZINC000072308999 556568952 /nfs/dbraw/zinc/56/89/52/556568952.db2.gz LYZPWLIIXZOYQB-UHFFFAOYSA-N 1 1 448.589 2.808 50 0 IFAAMO Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H](c3ccco3)[NH+](C)C)CC2)cc1C ZINC000015988852 556571452 /nfs/dbraw/zinc/57/14/52/556571452.db2.gz MKFQWMZYPLWVNI-HXUWFJFHSA-N 1 1 433.574 2.716 50 0 IFAAMO O=C(C[C@@H]1Cn2ncc(-c3ccccc3)c2NC1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000016625701 556575500 /nfs/dbraw/zinc/57/55/00/556575500.db2.gz KOCZDCUJCQQHBQ-OAQYLSRUSA-N 1 1 429.524 2.853 50 0 IFAAMO C[NH+]1CCN(C(=O)c2ccccc2N2CCC(NC(=O)CCc3ccccc3)CC2)CC1 ZINC000037525503 556639224 /nfs/dbraw/zinc/63/92/24/556639224.db2.gz TXUXENGVWVFWLQ-UHFFFAOYSA-N 1 1 434.584 2.792 50 0 IFAAMO COc1ccc(Nc2nc(N3CC[NH+](CCO)CC3)nc3c2cnn3-c2ccccc2)cc1 ZINC000016954239 556650049 /nfs/dbraw/zinc/65/00/49/556650049.db2.gz UDEIUNAREDGVHN-UHFFFAOYSA-N 1 1 445.527 2.682 50 0 IFAAMO CNC(=O)c1ccc(S(=O)(=O)N[C@@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)cc1 ZINC000032935835 556678422 /nfs/dbraw/zinc/67/84/22/556678422.db2.gz BRFNJEXNTPNPBP-NRFANRHFSA-N 1 1 429.586 2.798 50 0 IFAAMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)cc1F ZINC000060322807 556685062 /nfs/dbraw/zinc/68/50/62/556685062.db2.gz KGDOJEFEQQAYBT-SFHVURJKSA-N 1 1 448.545 2.851 50 0 IFAAMO CC[N@@H+]1CCC[C@@H]1CN(CCC(=O)N1CCNCC1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000045966760 556688711 /nfs/dbraw/zinc/68/87/11/556688711.db2.gz YLYCTLOSBIRFDM-JOCHJYFZSA-N 1 1 428.621 2.733 50 0 IFAAMO CC[N@H+]1CCC[C@@H]1CN(CCC(=O)N1CCNCC1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000045966760 556688713 /nfs/dbraw/zinc/68/87/13/556688713.db2.gz YLYCTLOSBIRFDM-JOCHJYFZSA-N 1 1 428.621 2.733 50 0 IFAAMO COCc1nnc(C(=O)Nc2ccc(C(=O)NCCC[N@H+]3CCCC[C@@H]3C)cc2)s1 ZINC000033032142 556712174 /nfs/dbraw/zinc/71/21/74/556712174.db2.gz WNDBLGDOTHKCGD-HNNXBMFYSA-N 1 1 431.562 2.931 50 0 IFAAMO COCc1nnc(C(=O)Nc2ccc(C(=O)NCCC[N@H+]3CCCC[C@H]3C)cc2)s1 ZINC000033032143 556712240 /nfs/dbraw/zinc/71/22/40/556712240.db2.gz WNDBLGDOTHKCGD-OAHLLOKOSA-N 1 1 431.562 2.931 50 0 IFAAMO O=C(c1nc2ccccn2c1CN1CCC[C@@H](CO)C1)N1CC[NH+](C2CCCCC2)CC1 ZINC000019222125 556716103 /nfs/dbraw/zinc/71/61/03/556716103.db2.gz AJIZJTVBUGMEIZ-HXUWFJFHSA-N 1 1 439.604 2.629 50 0 IFAAMO COc1ccccc1N1CC[NH+]([C@H]2CCCN(C(=O)Cc3cn4ccsc4n3)C2)CC1 ZINC000055100094 556734679 /nfs/dbraw/zinc/73/46/79/556734679.db2.gz DAHPYPBXFHVYPC-IBGZPJMESA-N 1 1 439.585 2.760 50 0 IFAAMO Cn1nc2c(c1C(=O)N1CCC[C@@H]([NH+]3CCN(c4ccccc4F)CC3)C1)CCCC2 ZINC000055183136 556737377 /nfs/dbraw/zinc/73/73/77/556737377.db2.gz HGXBWXSXMKHFQN-GOSISDBHSA-N 1 1 425.552 2.865 50 0 IFAAMO CC[NH+]1CCN(C(=O)c2cnn(-c3ncc(C)c(-c4cccs4)n3)c2COC)CC1 ZINC000055393329 556741256 /nfs/dbraw/zinc/74/12/56/556741256.db2.gz WODQCQBWEOSQHZ-UHFFFAOYSA-N 1 1 426.546 2.623 50 0 IFAAMO Cc1c(C(=O)NCCC[NH+]2CCC(C)CC2)sc2ncnc(N3CCN(C)CC3)c12 ZINC000033048227 556744173 /nfs/dbraw/zinc/74/41/73/556744173.db2.gz KCXXZDOAYPIHRD-UHFFFAOYSA-N 1 1 430.622 2.603 50 0 IFAAMO CC[N@H+]1CCc2nc(-c3ccccc3)n(CC(=O)Nc3ccccc3C(=O)OC)c(=O)c2C1 ZINC000062007128 556765399 /nfs/dbraw/zinc/76/53/99/556765399.db2.gz KHTGVIJQYHBWBR-UHFFFAOYSA-N 1 1 446.507 2.714 50 0 IFAAMO CC[N@H+]1CCC[C@H]1CNC(=O)C1CCN(C(=O)Nc2ccc3c(c2)OCCCO3)CC1 ZINC000058377676 556783714 /nfs/dbraw/zinc/78/37/14/556783714.db2.gz IMMWMISTYZLZMZ-IBGZPJMESA-N 1 1 430.549 2.692 50 0 IFAAMO CCN1CC[NH+](CCCNC(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc43)C2)CC1 ZINC000058776131 556791940 /nfs/dbraw/zinc/79/19/40/556791940.db2.gz CCQHXWVAFZIXCO-JOCHJYFZSA-N 1 1 436.600 2.836 50 0 IFAAMO CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)C[N@@H+]3CCCC[C@H]3CCO)c21 ZINC000005477882 556815675 /nfs/dbraw/zinc/81/56/75/556815675.db2.gz YBDRDFUWJHHRMP-INIZCTEOSA-N 1 1 431.533 2.847 50 0 IFAAMO CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)C[N@H+]3CCCC[C@H]3CCO)c21 ZINC000005477882 556815676 /nfs/dbraw/zinc/81/56/76/556815676.db2.gz YBDRDFUWJHHRMP-INIZCTEOSA-N 1 1 431.533 2.847 50 0 IFAAMO COc1ccc(NC(=O)c2nnc(CCC(=O)NCC[N@H+]3CCCC[C@H]3C)s2)cc1 ZINC000033061862 556817445 /nfs/dbraw/zinc/81/74/45/556817445.db2.gz FFSXKZVTYRXCDU-OAHLLOKOSA-N 1 1 431.562 2.722 50 0 IFAAMO Cc1nc(N2CCN(C(=O)Nc3ccc(F)c(Cl)c3)CC2)cc(N2CCOCC2)[nH+]1 ZINC000065363805 556835124 /nfs/dbraw/zinc/83/51/24/556835124.db2.gz PBURAFHDBVXAKZ-UHFFFAOYSA-N 1 1 434.903 2.768 50 0 IFAAMO C[C@@H]1CN(Cc2c(C(=O)N3CC[NH+](C4CCCCC4)CC3)nc3ccccn32)CCN1C ZINC000019636904 556835516 /nfs/dbraw/zinc/83/55/16/556835516.db2.gz BALURPGPSSVQFE-HXUWFJFHSA-N 1 1 438.620 2.561 50 0 IFAAMO COc1ccc(NC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)cc1S(N)(=O)=O ZINC000008694058 556842625 /nfs/dbraw/zinc/84/26/25/556842625.db2.gz ACDWCGHQVNGKOM-UHFFFAOYSA-N 1 1 439.537 2.984 50 0 IFAAMO CC(C)NC(=O)N1C[C@@H](c2cccc(C(F)(F)F)c2)[C@H](C(=O)N2CC[NH+](C)CC2)C1 ZINC000097954608 556850520 /nfs/dbraw/zinc/85/05/20/556850520.db2.gz BBNLCPGVHJJUEI-ZWKOTPCHSA-N 1 1 426.483 2.613 50 0 IFAAMO Cc1ccc(C)c(C[N@@H+]2CCc3nnc(CCNC(=O)Cc4ccc(F)cc4)n3CC2)c1 ZINC000019744580 556891089 /nfs/dbraw/zinc/89/10/89/556891089.db2.gz PWYZJJCECPWGCY-UHFFFAOYSA-N 1 1 435.547 2.994 50 0 IFAAMO CCN1CCN(C[C@H](O)COc2ccc(C[NH2+]CCc3cccc(F)c3)cc2OC)CC1 ZINC000019770973 556913094 /nfs/dbraw/zinc/91/30/94/556913094.db2.gz SYHOMYXMXPXXEA-QHCPKHFHSA-N 1 1 445.579 2.544 50 0 IFAAMO CC(C)c1ccc(N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)S(C)(=O)=O)cc1 ZINC000019800224 556917506 /nfs/dbraw/zinc/91/75/06/556917506.db2.gz CTRRKHJTVSPNHY-UHFFFAOYSA-N 1 1 429.586 2.920 50 0 IFAAMO Cc1ccc(C(=O)N/C(=C\c2ccc(F)cc2)C(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000019833589 556927335 /nfs/dbraw/zinc/92/73/35/556927335.db2.gz XIHBIUUFLQQPKT-XLNRJJMWSA-N 1 1 425.504 2.744 50 0 IFAAMO O=C([C@H]1CCC(=O)N(CCC[NH+]2CCOCC2)C1)N1CCC(CCc2ccccc2)CC1 ZINC000019839268 556929142 /nfs/dbraw/zinc/92/91/42/556929142.db2.gz BZTNTINBHLKDAR-DEOSSOPVSA-N 1 1 441.616 2.819 50 0 IFAAMO COC(=O)c1cc(NC(=S)N2CC[NH+](Cc3ccccc3)CC2)cc(C(=O)OC)c1 ZINC000019859227 556932036 /nfs/dbraw/zinc/93/20/36/556932036.db2.gz UQZOGDSCSCOBID-UHFFFAOYSA-N 1 1 427.526 2.774 50 0 IFAAMO O=C(CNS(=O)(=O)c1ccccc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020030355 556968649 /nfs/dbraw/zinc/96/86/49/556968649.db2.gz AWGFVGZKOGLEIH-UHFFFAOYSA-N 1 1 449.576 2.899 50 0 IFAAMO O=C(CCc1nnc(Cc2c[nH]c3ccccc23)o1)NCC1([NH+]2CCOCC2)CCCC1 ZINC000020166382 556993751 /nfs/dbraw/zinc/99/37/51/556993751.db2.gz JPMFYCQXXGTYFK-UHFFFAOYSA-N 1 1 437.544 2.836 50 0 IFAAMO COCCNC(=O)c1ccc(OC)cc1OC1CC[NH+](Cc2cnc(N(C)C)s2)CC1 ZINC000020235644 557002319 /nfs/dbraw/zinc/00/23/19/557002319.db2.gz FYAXGHQFIICXCH-UHFFFAOYSA-N 1 1 448.589 2.637 50 0 IFAAMO Cc1ccc2[nH]c3c(ncn(CCC(=O)N4CC[NH+](Cc5ccccc5)CC4)c3=O)c2c1 ZINC000023125623 557007392 /nfs/dbraw/zinc/00/73/92/557007392.db2.gz SOCDNZXYJOUHGL-UHFFFAOYSA-N 1 1 429.524 2.921 50 0 IFAAMO CC[NH+]1CCN(C(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000020362836 557011861 /nfs/dbraw/zinc/01/18/61/557011861.db2.gz ZIYRGMJANITKLX-UHFFFAOYSA-N 1 1 429.586 2.971 50 0 IFAAMO Cc1ccc(C)c(OC[C@@H](O)CN2CC[NH+](C[C@H](O)COc3cc(C)ccc3C)CC2)c1 ZINC000022942632 557053937 /nfs/dbraw/zinc/05/39/37/557053937.db2.gz JBTLCKCVJHHEIW-ZEQRLZLVSA-N 1 1 442.600 2.717 50 0 IFAAMO CSCC[C@H](NC(=O)COc1ccccc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000017357714 557063420 /nfs/dbraw/zinc/06/34/20/557063420.db2.gz GZYXVZCPDZNLQU-QFIPXVFZSA-N 1 1 441.597 2.648 50 0 IFAAMO NS(=O)(=O)c1ccc(CCNC(=O)C[N@@H+](C2CC2)[C@H]2CCCc3ccccc32)cc1 ZINC000048326169 557066635 /nfs/dbraw/zinc/06/66/35/557066635.db2.gz AHYXLHOPRKNWDN-QFIPXVFZSA-N 1 1 427.570 2.535 50 0 IFAAMO CSc1ncc(C[N@@H+]2CCC[C@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)cn1 ZINC000023368769 557088436 /nfs/dbraw/zinc/08/84/36/557088436.db2.gz QQSOMGKOUKOWPN-LJQANCHMSA-N 1 1 440.617 2.935 50 0 IFAAMO CSc1ncc(C[N@H+]2CCC[C@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)cn1 ZINC000023368769 557088439 /nfs/dbraw/zinc/08/84/39/557088439.db2.gz QQSOMGKOUKOWPN-LJQANCHMSA-N 1 1 440.617 2.935 50 0 IFAAMO Cc1nc2c(c(=O)n1CC(=O)NCCCc1ccccc1)C[N@@H+](Cc1ccccc1)CC2 ZINC000049400815 557096287 /nfs/dbraw/zinc/09/62/87/557096287.db2.gz CHDGSSMYCIOPEE-UHFFFAOYSA-N 1 1 430.552 2.859 50 0 IFAAMO COc1cccc([C@H](C)NC(=O)Cn2c(C)nc3c(c2=O)C[N@@H+](Cc2ccccc2)CC3)c1 ZINC000049400877 557096727 /nfs/dbraw/zinc/09/67/27/557096727.db2.gz MSYRLAWLHGAMMW-SFHVURJKSA-N 1 1 446.551 2.996 50 0 IFAAMO COCCN(C[C@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)c1cc(-c2c(C)nn(C)c2C)n[nH]1 ZINC000409413039 557109426 /nfs/dbraw/zinc/10/94/26/557109426.db2.gz AHHVMYRUENLJJI-NQIIRXRSSA-N 1 1 428.581 2.780 50 0 IFAAMO COCCN(C[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)c1cc(-c2c(C)nn(C)c2C)[nH]n1 ZINC000409413039 557109432 /nfs/dbraw/zinc/10/94/32/557109432.db2.gz AHHVMYRUENLJJI-NQIIRXRSSA-N 1 1 428.581 2.780 50 0 IFAAMO COCCN(C[C@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)c1cc(-c2c(C)nn(C)c2C)[nH]n1 ZINC000409413039 557109436 /nfs/dbraw/zinc/10/94/36/557109436.db2.gz AHHVMYRUENLJJI-NQIIRXRSSA-N 1 1 428.581 2.780 50 0 IFAAMO CCn1c(C[N@H+](C)CCOc2ccc(OC)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000023908149 557124749 /nfs/dbraw/zinc/12/47/49/557124749.db2.gz WWMRPIIQQAIASJ-UHFFFAOYSA-N 1 1 446.573 2.826 50 0 IFAAMO CCn1c(C[N@@H+](C)CCOc2ccc(OC)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000023908149 557124750 /nfs/dbraw/zinc/12/47/50/557124750.db2.gz WWMRPIIQQAIASJ-UHFFFAOYSA-N 1 1 446.573 2.826 50 0 IFAAMO COc1ccc([C@H](CNS(=O)(=O)c2ccc3c(c2)OCCCO3)[NH+]2CCCC2)cc1 ZINC000023994263 557130514 /nfs/dbraw/zinc/13/05/14/557130514.db2.gz WFGNYUQAXGZDPQ-FQEVSTJZSA-N 1 1 432.542 2.972 50 0 IFAAMO CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000023290670 557155099 /nfs/dbraw/zinc/15/50/99/557155099.db2.gz NTZPSWDCJPVWSU-UHFFFAOYSA-N 1 1 448.489 2.920 50 0 IFAAMO O=C(CN1CC[NH+](CCO)CC1)N[C@H]1Cc2cc(Cl)ccc2Sc2ccccc21 ZINC000096235386 557185382 /nfs/dbraw/zinc/18/53/82/557185382.db2.gz NNBUVIDQCALOBO-IBGZPJMESA-N 1 1 431.989 2.815 50 0 IFAAMO Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000026062103 557233306 /nfs/dbraw/zinc/23/33/06/557233306.db2.gz LHUFJDIHYNXEIZ-SFHVURJKSA-N 1 1 439.622 2.549 50 0 IFAAMO C[C@@H]1C[C@H](C)C[N@@H+](Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(Cl)cc2)C1 ZINC000014070746 557297661 /nfs/dbraw/zinc/29/76/61/557297661.db2.gz GLJXLQLEJALZBK-GASCZTMLSA-N 1 1 429.952 2.613 50 0 IFAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(Cl)cc2)C1 ZINC000014070746 557297664 /nfs/dbraw/zinc/29/76/64/557297664.db2.gz GLJXLQLEJALZBK-GASCZTMLSA-N 1 1 429.952 2.613 50 0 IFAAMO C[C@@H]1C[C@H](C)C[N@@H+](Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2c(F)cccc2Cl)C1 ZINC000014070525 557297734 /nfs/dbraw/zinc/29/77/34/557297734.db2.gz LRLXPRDKLZVGOU-OKILXGFUSA-N 1 1 447.942 2.752 50 0 IFAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2c(F)cccc2Cl)C1 ZINC000014070525 557297736 /nfs/dbraw/zinc/29/77/36/557297736.db2.gz LRLXPRDKLZVGOU-OKILXGFUSA-N 1 1 447.942 2.752 50 0 IFAAMO Cc1nnc(SCC(=O)NCC2([NH+]3CCOCC3)CCCCC2)n1Cc1ccccc1 ZINC000014639884 557346735 /nfs/dbraw/zinc/34/67/35/557346735.db2.gz OUJQCBOCAPCPIG-UHFFFAOYSA-N 1 1 443.617 2.878 50 0 IFAAMO CCOC(=O)C1=C(C[N@H+]2CCC[C@H](C(=O)OCC)C2)N(C)C(=O)N[C@@H]1c1cccc(C)c1 ZINC000104938637 557466068 /nfs/dbraw/zinc/46/60/68/557466068.db2.gz YDBZETRABPAECM-GHTZIAJQSA-N 1 1 443.544 2.783 50 0 IFAAMO CCOC(=O)C1=C(C[N@@H+]2CCC[C@H](C(=O)OCC)C2)N(C)C(=O)N[C@@H]1c1cccc(C)c1 ZINC000104938637 557466070 /nfs/dbraw/zinc/46/60/70/557466070.db2.gz YDBZETRABPAECM-GHTZIAJQSA-N 1 1 443.544 2.783 50 0 IFAAMO CCC(=O)Nc1ccc(S(=O)(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)c(C)c1 ZINC000012068953 557526192 /nfs/dbraw/zinc/52/61/92/557526192.db2.gz YZQGPQSWCKCISD-UHFFFAOYSA-N 1 1 444.601 2.834 50 0 IFAAMO CNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1Cl ZINC000106914004 557533546 /nfs/dbraw/zinc/53/35/46/557533546.db2.gz MDQAGVIRVRKKJF-XQQFMLRXSA-N 1 1 436.405 2.998 50 0 IFAAMO CCO[C@@H](C)c1noc(CN2CCC[N@@H+]([C@H](C)C(=O)N(C)Cc3ccccc3)CC2)n1 ZINC000107145850 557534856 /nfs/dbraw/zinc/53/48/56/557534856.db2.gz HGCNSMNQQXXFPJ-MOPGFXCFSA-N 1 1 429.565 2.722 50 0 IFAAMO CCO[C@@H](C)c1noc(CN2CCC[N@H+]([C@H](C)C(=O)N(C)Cc3ccccc3)CC2)n1 ZINC000107145850 557534858 /nfs/dbraw/zinc/53/48/58/557534858.db2.gz HGCNSMNQQXXFPJ-MOPGFXCFSA-N 1 1 429.565 2.722 50 0 IFAAMO COC(=O)C[C@@](C)([NH2+]CC(=O)NCCOc1ccc(Cl)cc1)c1cccc(OC)c1 ZINC000225571431 557744664 /nfs/dbraw/zinc/74/46/64/557744664.db2.gz OBIHNHVAZMOTHF-JOCHJYFZSA-N 1 1 434.920 2.912 50 0 IFAAMO CCCCn1c(N)c(N(C(=O)C[N@H+]2CCC[C@H]3CCCC[C@H]32)C2CCCC2)c(=O)[nH]c1=O ZINC000229980125 557834719 /nfs/dbraw/zinc/83/47/19/557834719.db2.gz KNQIJHJGMGDGQA-IEBWSBKVSA-N 1 1 445.608 2.849 50 0 IFAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc2c(c1)[nH]c(=O)n(CCc1ccccc1)c2=O ZINC000004003866 562940679 /nfs/dbraw/zinc/94/06/79/562940679.db2.gz PBEDSCNJJLEVCT-SFHVURJKSA-N 1 1 434.540 2.537 50 0 IFAAMO Cn1nc(C(=O)NCCC[N@@H+](C)Cc2ccccc2)c2c1-c1ccccc1S(=O)(=O)C2 ZINC000009405569 562970099 /nfs/dbraw/zinc/97/00/99/562970099.db2.gz HNLKSZAMYZYIHF-UHFFFAOYSA-N 1 1 438.553 2.626 50 0 IFAAMO C[NH+](C)[C@@H](CNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)c1ccco1 ZINC000013011285 562984110 /nfs/dbraw/zinc/98/41/10/562984110.db2.gz QEHUFKSOFSGAJV-FQEVSTJZSA-N 1 1 427.526 2.791 50 0 IFAAMO CCC[NH+]1CCN(CC2=NC(=O)N[C@@H](c3ccc(OC(C)C)cc3)C2C(=O)OCC)CC1 ZINC000020214457 563024131 /nfs/dbraw/zinc/02/41/31/563024131.db2.gz OVCQQKDTQZCFAS-QFIPXVFZSA-N 1 1 444.576 2.673 50 0 IFAAMO CCOc1ccc2nc(N3CCC[C@@H](C(=O)NCCC[NH+]4CCOCC4)C3)sc2c1 ZINC000020383498 563024617 /nfs/dbraw/zinc/02/46/17/563024617.db2.gz HDRNUPWKOWZRSH-QGZVFWFLSA-N 1 1 432.590 2.750 50 0 IFAAMO CC[NH+]1CCN(C(=O)Cn2ncc3c4ccccc4n(Cc4ccccc4)c3c2=O)CC1 ZINC000020415750 563024730 /nfs/dbraw/zinc/02/47/30/563024730.db2.gz RWWFKJLCEXPQDP-UHFFFAOYSA-N 1 1 429.524 2.564 50 0 IFAAMO COc1ccc2c(c1)C[C@H](C(=O)NCC[NH+]1CCN(c3cccc(Cl)c3)CC1)CO2 ZINC000059560463 563146648 /nfs/dbraw/zinc/14/66/48/563146648.db2.gz KIKATQGHXNCHLN-SFHVURJKSA-N 1 1 429.948 2.838 50 0 IFAAMO Cn1c(C[N@H+]2CCC[C@@H](C(=O)N3CCN(C(=O)c4ccccc4)CC3)C2)nc2ccccc21 ZINC000253612900 568644111 /nfs/dbraw/zinc/64/41/11/568644111.db2.gz IODXUQAOGVHRQO-OAQYLSRUSA-N 1 1 445.567 2.770 50 0 IFAAMO O=CN1CCN(C(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)CC1 ZINC000261492733 568734706 /nfs/dbraw/zinc/73/47/06/568734706.db2.gz XRNVQXKVBYEZSW-IBGZPJMESA-N 1 1 449.530 2.677 50 0 IFAAMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1Cc2cccc(-c3ccc(S(C)(=O)=O)cc3)c2O1 ZINC000299762092 568756028 /nfs/dbraw/zinc/75/60/28/568756028.db2.gz RHVQUPIUFCVEJG-NQIIRXRSSA-N 1 1 428.554 2.661 50 0 IFAAMO CCOc1cccc(C[N@H+]2CCc3c(C(=O)N4CCCC4)c(OC)cc(=O)n3CC2)c1 ZINC000299769680 568756577 /nfs/dbraw/zinc/75/65/77/568756577.db2.gz PHRPXBDTFPMVPX-UHFFFAOYSA-N 1 1 425.529 2.550 50 0 IFAAMO CCOc1cccc(C[N@@H+]2CCc3c(C(=O)N4CCCC4)c(OC)cc(=O)n3CC2)c1 ZINC000299769680 568756579 /nfs/dbraw/zinc/75/65/79/568756579.db2.gz PHRPXBDTFPMVPX-UHFFFAOYSA-N 1 1 425.529 2.550 50 0 IFAAMO CC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@@H+]4[C@]4(c5ccc(C)c(C)c5NC4=O)[C@H]3C2=O)cc1 ZINC000248378748 568782352 /nfs/dbraw/zinc/78/23/52/568782352.db2.gz KLOXZHXCWFWBAU-GQNXPXPTSA-N 1 1 443.503 2.937 50 0 IFAAMO CC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@H+]4[C@]4(c5ccc(C)c(C)c5NC4=O)[C@H]3C2=O)cc1 ZINC000248378748 568782353 /nfs/dbraw/zinc/78/23/53/568782353.db2.gz KLOXZHXCWFWBAU-GQNXPXPTSA-N 1 1 443.503 2.937 50 0 IFAAMO C[C@@H](CCN1CCN(C(=O)c2cccs2)CC1)[NH+]1CCN(C(=O)c2cccs2)CC1 ZINC000084637246 568799454 /nfs/dbraw/zinc/79/94/54/568799454.db2.gz PPRQEODLOQWFPL-SFHVURJKSA-N 1 1 446.642 2.804 50 0 IFAAMO C[C@@H](CC[NH+]1CCN(C(=O)c2cccs2)CC1)N1CCN(C(=O)c2cccs2)CC1 ZINC000084637246 568799455 /nfs/dbraw/zinc/79/94/55/568799455.db2.gz PPRQEODLOQWFPL-SFHVURJKSA-N 1 1 446.642 2.804 50 0 IFAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000084692286 568799991 /nfs/dbraw/zinc/79/99/91/568799991.db2.gz PHGAZEUQOWNKIC-LJQANCHMSA-N 1 1 447.645 2.957 50 0 IFAAMO COc1ccc(-c2noc(C[NH+]3CCC(C(=O)NCCc4ccco4)CC3)n2)cc1OC ZINC000015726486 568812443 /nfs/dbraw/zinc/81/24/43/568812443.db2.gz GOXYVYNYULNZCX-UHFFFAOYSA-N 1 1 440.500 2.918 50 0 IFAAMO COCCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)C1CCC(Cn2cnnn2)CC1 ZINC000583652735 568837753 /nfs/dbraw/zinc/83/77/53/568837753.db2.gz JMSFYYLVOKFYCM-QZNJRLLKSA-N 1 1 432.613 2.609 50 0 IFAAMO COCCN(C[C@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)CCn1cnc2ccccc2c1=O ZINC000583652713 568889582 /nfs/dbraw/zinc/88/95/82/568889582.db2.gz RBJPGCBXVMWHJB-KNQAVFIVSA-N 1 1 426.561 2.526 50 0 IFAAMO CNS(=O)(=O)c1ccccc1N1CC[NH+](CCOc2cccc3ccccc32)CC1 ZINC000089395946 568922294 /nfs/dbraw/zinc/92/22/94/568922294.db2.gz HAKIYZHWKPMODZ-UHFFFAOYSA-N 1 1 425.554 2.949 50 0 IFAAMO COc1cccc(C[N@H+](Cc2nc(C(=O)NCCN3CCOCC3)co2)[C@H](C)C(C)C)c1 ZINC000036065573 568945264 /nfs/dbraw/zinc/94/52/64/568945264.db2.gz YYWGAZBMTWCIKR-LJQANCHMSA-N 1 1 444.576 2.792 50 0 IFAAMO COc1cccc(C[N@@H+](Cc2nc(C(=O)NCCN3CCOCC3)co2)[C@H](C)C(C)C)c1 ZINC000036065573 568945267 /nfs/dbraw/zinc/94/52/67/568945267.db2.gz YYWGAZBMTWCIKR-LJQANCHMSA-N 1 1 444.576 2.792 50 0 IFAAMO CCOC(=O)C1=C(C[N@@H+]2C[C@H](C)C[C@H](C)C2)NC(=O)N[C@H]1c1cccc(OC)c1OC ZINC000036092194 568950821 /nfs/dbraw/zinc/95/08/21/568950821.db2.gz XHVDYODXSGOMIA-MDOVXXIYSA-N 1 1 431.533 2.853 50 0 IFAAMO CCOC(=O)c1ccc(NC(=O)Cn2cnc3c(c2=O)C[N@@H+](Cc2ccccc2)CC3)cc1 ZINC000064755497 568951209 /nfs/dbraw/zinc/95/12/09/568951209.db2.gz MMFXCXXYENKILO-UHFFFAOYSA-N 1 1 446.507 2.617 50 0 IFAAMO COc1ccc(C[N@@H+](CCN2CCOCC2)C[C@@H](O)COc2ccc(Cl)cc2)cc1 ZINC000036102089 568952698 /nfs/dbraw/zinc/95/26/98/568952698.db2.gz VWRSHTRHDIRHOC-OAQYLSRUSA-N 1 1 434.964 2.923 50 0 IFAAMO CCN1CC[NH+](CCCNC(=O)c2ccc3c(c2)nc(C)c(=O)n3Cc2ccccc2)CC1 ZINC000064859410 568972449 /nfs/dbraw/zinc/97/24/49/568972449.db2.gz FTTBIVAPIASFKU-UHFFFAOYSA-N 1 1 447.583 2.511 50 0 IFAAMO COCCN(C[C@H]1C[N@H+](C[C@@H](O)C(C)C)CCO1)C(=O)c1cccc(C(F)(F)F)c1 ZINC000169680580 568991928 /nfs/dbraw/zinc/99/19/28/568991928.db2.gz LFWWSUFYDGEFMG-RTBURBONSA-N 1 1 432.483 2.512 50 0 IFAAMO COCCN(C[C@H]1C[N@@H+](C[C@@H](O)C(C)C)CCO1)C(=O)c1cccc(C(F)(F)F)c1 ZINC000169680580 568991929 /nfs/dbraw/zinc/99/19/29/568991929.db2.gz LFWWSUFYDGEFMG-RTBURBONSA-N 1 1 432.483 2.512 50 0 IFAAMO COC[C@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)CC1CC1 ZINC000036309091 568995849 /nfs/dbraw/zinc/99/58/49/568995849.db2.gz YEMPDFJQTXLDKH-KNQAVFIVSA-N 1 1 444.597 2.972 50 0 IFAAMO CC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1C)C[C@H](O)COC ZINC000036309972 568996422 /nfs/dbraw/zinc/99/64/22/568996422.db2.gz JQDYTOHLOJDEGP-ICSRJNTNSA-N 1 1 432.586 2.891 50 0 IFAAMO CCc1nc(C)nc(N2CC[NH+](C[C@H](O)COC(C)C)CC2)c1Cc1ccccc1F ZINC000036340816 569078464 /nfs/dbraw/zinc/07/84/64/569078464.db2.gz GFUNNZZOJIDYDC-FQEVSTJZSA-N 1 1 430.568 2.985 50 0 IFAAMO CCc1nc(C)nc(N2CC[NH+](C[C@@H](O)COC(C)C)CC2)c1Cc1ccccc1F ZINC000036340817 569078568 /nfs/dbraw/zinc/07/85/68/569078568.db2.gz GFUNNZZOJIDYDC-HXUWFJFHSA-N 1 1 430.568 2.985 50 0 IFAAMO Cn1cccc1[C@H]1CC(c2ccc(F)cc2)=NN1C(=O)C[NH+]1CCC2(CC1)OCCO2 ZINC000036342437 569079488 /nfs/dbraw/zinc/07/94/88/569079488.db2.gz QBOCLAYPHNWRRV-OAQYLSRUSA-N 1 1 426.492 2.681 50 0 IFAAMO Cn1cccc1[C@@H]1CC(c2ccccc2Cl)=NN1C(=O)C[NH+]1CCC(C(N)=O)CC1 ZINC000036342450 569079509 /nfs/dbraw/zinc/07/95/09/569079509.db2.gz MDBSFCJPMFLTIB-FQEVSTJZSA-N 1 1 427.936 2.554 50 0 IFAAMO COc1ccc(C2=NN(C(=O)CN3CC[NH+](C)CC3)[C@H](c3ccccc3C)C2)c(OC)c1 ZINC000036344943 569080445 /nfs/dbraw/zinc/08/04/45/569080445.db2.gz FKTVOOZFIJIOHN-QHCPKHFHSA-N 1 1 436.556 2.937 50 0 IFAAMO CCC[NH+]1CCN(C(=O)c2csc(N3CCN(c4cccc(OC)c4)CC3)n2)CC1 ZINC000065211606 569116700 /nfs/dbraw/zinc/11/67/00/569116700.db2.gz NOOUGIYSPIUSRN-UHFFFAOYSA-N 1 1 429.590 2.646 50 0 IFAAMO O=C(NCc1ccco1)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000036543609 569117406 /nfs/dbraw/zinc/11/74/06/569117406.db2.gz HUIQEZPEAKRUCY-DNQXCXABSA-N 1 1 442.519 2.819 50 0 IFAAMO CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C)NC(=O)c1ccc2nc(-n3cccc3)sc2c1 ZINC000036594929 569121456 /nfs/dbraw/zinc/12/14/56/569121456.db2.gz MMCQWVLEAZAZPW-WBVHZDCISA-N 1 1 425.558 2.806 50 0 IFAAMO CCOC(=O)C1=C(C[NH+]2CCC(C)CC2)NC(=O)N[C@@H]1c1ccc(OC)c(COC)c1 ZINC000036611317 569123509 /nfs/dbraw/zinc/12/35/09/569123509.db2.gz QDERLMSMIDZJNJ-OAQYLSRUSA-N 1 1 431.533 2.745 50 0 IFAAMO CCOC(=O)C1C(C[NH+]2CCC(C)CC2)=NC(=O)N[C@@H]1c1ccc(OC)c(COC)c1 ZINC000036611317 569123512 /nfs/dbraw/zinc/12/35/12/569123512.db2.gz QDERLMSMIDZJNJ-OAQYLSRUSA-N 1 1 431.533 2.745 50 0 IFAAMO CN1CC[NH+](CCCNC(=O)[C@@H]2CCc3sc(C(=O)N4CCCCCC4)cc3C2)CC1 ZINC000065273154 569129340 /nfs/dbraw/zinc/12/93/40/569129340.db2.gz FPBKHTWNHYFUBP-LJQANCHMSA-N 1 1 446.661 2.623 50 0 IFAAMO COc1ccc(C(=O)N(C)CC[N@@H+](C)C2CC2)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000170598372 569142258 /nfs/dbraw/zinc/14/22/58/569142258.db2.gz YTYHGMANRURMIF-IAGOWNOFSA-N 1 1 437.606 2.528 50 0 IFAAMO Cn1cc2c(=O)n(-c3ccccc3)nc-2c(C(=O)N2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000016839099 569163052 /nfs/dbraw/zinc/16/30/52/569163052.db2.gz NACPUFPNMKCLKC-UHFFFAOYSA-N 1 1 441.535 2.676 50 0 IFAAMO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000089869475 569166318 /nfs/dbraw/zinc/16/63/18/569166318.db2.gz AYWWNOHXXVIZEQ-DNVCBOLYSA-N 1 1 427.998 2.925 50 0 IFAAMO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[N@@H+]1CCC[C@H]1c1cccs1 ZINC000252445397 569183908 /nfs/dbraw/zinc/18/39/08/569183908.db2.gz NOOGSQKYXXLPNB-APWZRJJASA-N 1 1 449.598 2.933 50 0 IFAAMO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[N@H+]1CCC[C@H]1c1cccs1 ZINC000252445397 569183909 /nfs/dbraw/zinc/18/39/09/569183909.db2.gz NOOGSQKYXXLPNB-APWZRJJASA-N 1 1 449.598 2.933 50 0 IFAAMO CCC[C@H](C(=O)OCC)[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000252476988 569185895 /nfs/dbraw/zinc/18/58/95/569185895.db2.gz GCGFHEPKAAPXBJ-IPMKNSEASA-N 1 1 439.597 2.946 50 0 IFAAMO O=C(C[C@H]1NC(=O)N(Cc2cccc(Cl)c2)C1=O)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000252550350 569190897 /nfs/dbraw/zinc/19/08/97/569190897.db2.gz SKWJBGKZNLROEU-QXAKKESOSA-N 1 1 432.952 2.736 50 0 IFAAMO C[NH+]1CCN(C(=O)c2ccccc2N2CCC(NC(=O)/C=C/c3ccccc3)CC2)CC1 ZINC000037525506 569198826 /nfs/dbraw/zinc/19/88/26/569198826.db2.gz WWRSQJYBPWLFQK-VAWYXSNFSA-N 1 1 432.568 2.873 50 0 IFAAMO COc1cc2c(cc1OC)CC(=O)N(CC(=O)N(C)C[C@@H]1CCC[N@H+]3CCCC[C@H]13)C=C2 ZINC000253412911 569265976 /nfs/dbraw/zinc/26/59/76/569265976.db2.gz SLGDLICUNGGEAF-PZJWPPBQSA-N 1 1 441.572 2.782 50 0 IFAAMO CN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)Cn1ccc2c1cccc2NS(C)(=O)=O ZINC000253414414 569266124 /nfs/dbraw/zinc/26/61/24/569266124.db2.gz XKTQDBBWMFLOPX-FXAWDEMLSA-N 1 1 432.590 2.736 50 0 IFAAMO C[C@@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)N(C)CC(=O)Nc1ccc(Cl)cc1 ZINC000012992674 569305984 /nfs/dbraw/zinc/30/59/84/569305984.db2.gz MFBZTXWNMAIUQQ-SFHVURJKSA-N 1 1 428.964 2.943 50 0 IFAAMO COc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](C(=O)NCc4ccccn4)C3)n2)cc1OC ZINC000013367186 569314386 /nfs/dbraw/zinc/31/43/86/569314386.db2.gz WBRWEPIDTHZWDT-QGZVFWFLSA-N 1 1 437.500 2.677 50 0 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ZINC000012763807 523870985 /nfs/dbraw/zinc/87/09/85/523870985.db2.gz YJHRHTADPFEIBD-HSZRJFAPSA-N 1 1 441.597 2.919 50 0 IFAAMO COc1ccc(CN(C)Cc2cnccn2)cc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000012587452 524008614 /nfs/dbraw/zinc/00/86/14/524008614.db2.gz WIFSHSXAWKNMPS-HSZRJFAPSA-N 1 1 436.556 2.989 50 0 IFAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)Cn1c2ccccc2n(Cc2ccccc2)c(=O)c1=O ZINC000021944369 524100416 /nfs/dbraw/zinc/10/04/16/524100416.db2.gz FJFWLRHIKZJWIE-HXUWFJFHSA-N 1 1 448.567 2.592 50 0 IFAAMO C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[N@H+](C)CCOc1ccccc1F ZINC000012860415 524260837 /nfs/dbraw/zinc/26/08/37/524260837.db2.gz CNAHMNJKQULHAR-KRWDZBQOSA-N 1 1 449.548 2.948 50 0 IFAAMO C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[N@@H+](C)CCOc1ccccc1F ZINC000012860415 524260842 /nfs/dbraw/zinc/26/08/42/524260842.db2.gz CNAHMNJKQULHAR-KRWDZBQOSA-N 1 1 449.548 2.948 50 0 IFAAMO C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1ccccc1N1CCCCC1 ZINC000012561653 524273095 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AFKXSASWHKJTJF-UHFFFAOYSA-N 1 1 428.964 2.863 50 0 IFAAMO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)s1 ZINC000012769291 525530947 /nfs/dbraw/zinc/53/09/47/525530947.db2.gz GBRXDJKCHIJMSM-HXUWFJFHSA-N 1 1 447.626 2.802 50 0 IFAAMO Cc1c2cc3c(cc2oc(=O)c1CC(=O)N1CC[NH+](CCO)CC1)occ3C(C)(C)C ZINC000020624170 525961217 /nfs/dbraw/zinc/96/12/17/525961217.db2.gz GUVOFVAGEDHLKK-UHFFFAOYSA-N 1 1 426.513 2.824 50 0 IFAAMO C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1ccccc1N1CCCCC1 ZINC000012554633 526145841 /nfs/dbraw/zinc/14/58/41/526145841.db2.gz BYDDFSGUCGCCTB-QGZVFWFLSA-N 1 1 430.574 2.783 50 0 IFAAMO C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1ccccc1N1CCCCC1 ZINC000012554633 526145849 /nfs/dbraw/zinc/14/58/49/526145849.db2.gz BYDDFSGUCGCCTB-QGZVFWFLSA-N 1 1 430.574 2.783 50 0 IFAAMO Cc1ccc(C)c(-n2nnnc2SCC(=O)NCC2([NH+]3CCOCC3)CCCCC2)c1 ZINC000022090806 526257836 /nfs/dbraw/zinc/25/78/36/526257836.db2.gz RLEYSZQGYKCNCG-UHFFFAOYSA-N 1 1 444.605 2.523 50 0 IFAAMO c1cc2c(c(C[N@@H+]3CCC[C@H](N4CCN(Cc5ccc6c(c5)OCO6)CC4)C3)c1)OCO2 ZINC000020601144 526438102 /nfs/dbraw/zinc/43/81/02/526438102.db2.gz AAPAEUQGIOSHDO-NRFANRHFSA-N 1 1 437.540 2.926 50 0 IFAAMO c1cc2c(c(CN3CCC[C@H]([NH+]4CCN(Cc5ccc6c(c5)OCO6)CC4)C3)c1)OCO2 ZINC000020601144 526438107 /nfs/dbraw/zinc/43/81/07/526438107.db2.gz AAPAEUQGIOSHDO-NRFANRHFSA-N 1 1 437.540 2.926 50 0 IFAAMO Cc1nnsc1C(=O)N1CCC(CCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000012297917 526440822 /nfs/dbraw/zinc/44/08/22/526440822.db2.gz IVJVMMXZLKXKRO-HXUWFJFHSA-N 1 1 441.601 2.870 50 0 IFAAMO O=C([C@H]1CCC(=O)N(CCc2cccc(F)c2)C1)N1CCC[N@H+](Cc2cccnc2)CC1 ZINC000012319196 526532083 /nfs/dbraw/zinc/53/20/83/526532083.db2.gz SJHDPKXEDJHFMI-QFIPXVFZSA-N 1 1 438.547 2.736 50 0 IFAAMO O=C([C@H]1CCC(=O)N(CCc2cccc(F)c2)C1)N1CCC[N@@H+](Cc2cccnc2)CC1 ZINC000012319196 526532089 /nfs/dbraw/zinc/53/20/89/526532089.db2.gz SJHDPKXEDJHFMI-QFIPXVFZSA-N 1 1 438.547 2.736 50 0 IFAAMO O=C(C[N@@H+]1CCc2ccccc2C1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000035414179 526812991 /nfs/dbraw/zinc/81/29/91/526812991.db2.gz CQHQRKGNKFEJDQ-UHFFFAOYSA-N 1 1 449.576 2.731 50 0 IFAAMO O=C(C[N@H+]1CCc2ccccc2C1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000035414179 526813000 /nfs/dbraw/zinc/81/30/00/526813000.db2.gz CQHQRKGNKFEJDQ-UHFFFAOYSA-N 1 1 449.576 2.731 50 0 IFAAMO O=C(c1ccco1)N1CCN(C(=O)C2CC[NH+](Cc3nc(-c4ccccc4)no3)CC2)CC1 ZINC000040926785 526830000 /nfs/dbraw/zinc/83/00/00/526830000.db2.gz FXPIHSHUJXIJAG-UHFFFAOYSA-N 1 1 449.511 2.526 50 0 IFAAMO O=C(COc1ccc(Cl)cc1)N1CCO[C@@H](C[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000034667060 526952120 /nfs/dbraw/zinc/95/21/20/526952120.db2.gz CXVJDXBOKUUQRB-QFIPXVFZSA-N 1 1 429.948 2.768 50 0 IFAAMO O=C(COc1coc(CN2CC[NH+](Cc3ccccc3)CC2)cc1=O)NC1CCCCC1 ZINC000022807535 527002482 /nfs/dbraw/zinc/00/24/82/527002482.db2.gz TXMBPUXNDPFKFF-UHFFFAOYSA-N 1 1 439.556 2.785 50 0 IFAAMO O=C(COc1coc(CN2CC[NH+](Cc3ccccc3)CC2)cc1=O)NCc1ccccc1 ZINC000022807551 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C[C@H](NC(=O)COc1ccccc1)c1nnc2n1CC[N@@H+](Cc1ccc(F)c(F)c1)CC2 ZINC000011788194 556354558 /nfs/dbraw/zinc/35/45/58/556354558.db2.gz WMHPQSNKHSKAFM-INIZCTEOSA-N 1 1 441.482 2.871 50 0 IFAAMO C[C@H](NC(=O)COc1ccccc1)c1nnc2n1CC[N@H+](Cc1ccc(F)c(F)c1)CC2 ZINC000011788194 556354560 /nfs/dbraw/zinc/35/45/60/556354560.db2.gz WMHPQSNKHSKAFM-INIZCTEOSA-N 1 1 441.482 2.871 50 0 IFAAMO O=C(CCC1CCN(C(=O)c2n[nH]c3c2CCC3)CC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000011820346 556361914 /nfs/dbraw/zinc/36/19/14/556361914.db2.gz WORYKARJQBKPCQ-OAQYLSRUSA-N 1 1 449.599 2.922 50 0 IFAAMO Cc1occc1C(=O)N[C@H](C)c1nnc2n1CC[N@H+](Cc1ccc3c(c1)OCCO3)CC2 ZINC000011996088 556384251 /nfs/dbraw/zinc/38/42/51/556384251.db2.gz RJHIFDDCOIEWJL-OAHLLOKOSA-N 1 1 437.500 2.500 50 0 IFAAMO CC(C)[C@H](NC(=O)c1ccccn1)c1nnc2n1CC[N@H+](Cc1ccc3c(c1)OCO3)CC2 ZINC000012039028 556390502 /nfs/dbraw/zinc/39/05/02/556390502.db2.gz CRXCOSTXDODVHR-QFIPXVFZSA-N 1 1 448.527 2.587 50 0 IFAAMO CCn1c(=O)c(C(=O)C[N@@H+]2CCC[C@H]2c2cccs2)c(N)n(Cc2ccccc2)c1=O ZINC000014240912 556401571 /nfs/dbraw/zinc/40/15/71/556401571.db2.gz HRLSOFHTHVEXSR-KRWDZBQOSA-N 1 1 438.553 2.742 50 0 IFAAMO CCn1c(=O)c(C(=O)C[N@H+]2CCC[C@H]2c2cccs2)c(N)n(Cc2ccccc2)c1=O ZINC000014240912 556401575 /nfs/dbraw/zinc/40/15/75/556401575.db2.gz HRLSOFHTHVEXSR-KRWDZBQOSA-N 1 1 438.553 2.742 50 0 IFAAMO O=C(C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)N1CCN(C(=O)c2cccs2)CC1 ZINC000014244626 556404373 /nfs/dbraw/zinc/40/43/73/556404373.db2.gz PPQMALTYRBYWHX-SFHVURJKSA-N 1 1 441.553 2.641 50 0 IFAAMO O=C(C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)N1CCN(C(=O)c2cccs2)CC1 ZINC000014244626 556404377 /nfs/dbraw/zinc/40/43/77/556404377.db2.gz PPQMALTYRBYWHX-SFHVURJKSA-N 1 1 441.553 2.641 50 0 IFAAMO CCCCn1c2ccc(S(=O)(=O)N(CC)CC)cc2nc1C[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000032836043 556418149 /nfs/dbraw/zinc/41/81/49/556418149.db2.gz QMSVLIUFCJGZPQ-KRWDZBQOSA-N 1 1 449.621 2.564 50 0 IFAAMO CCCCn1c2ccc(S(=O)(=O)N(CC)CC)cc2nc1C[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000032836043 556418152 /nfs/dbraw/zinc/41/81/52/556418152.db2.gz QMSVLIUFCJGZPQ-KRWDZBQOSA-N 1 1 449.621 2.564 50 0 IFAAMO CC[C@@H](C)CNc1cc(C(=O)N2CCC[N@@H+](C)CC2)cc(S(=O)(=O)NC(C)(C)C)c1 ZINC000014732300 556437216 /nfs/dbraw/zinc/43/72/16/556437216.db2.gz KQISLYCLWKXUKC-QGZVFWFLSA-N 1 1 438.638 2.999 50 0 IFAAMO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2cccs2)cc1S(=O)(=O)N1CCOCC1 ZINC000013031646 556442933 /nfs/dbraw/zinc/44/29/33/556442933.db2.gz ZVLFFMCQUKCUDU-SFHVURJKSA-N 1 1 449.598 2.853 50 0 IFAAMO Cc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2cccs2)cc1S(=O)(=O)N1CCOCC1 ZINC000013031646 556442935 /nfs/dbraw/zinc/44/29/35/556442935.db2.gz ZVLFFMCQUKCUDU-SFHVURJKSA-N 1 1 449.598 2.853 50 0 IFAAMO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccs2)cc1S(=O)(=O)N1CCOCC1 ZINC000013031644 556443027 /nfs/dbraw/zinc/44/30/27/556443027.db2.gz ZVLFFMCQUKCUDU-GOSISDBHSA-N 1 1 449.598 2.853 50 0 IFAAMO Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2cccs2)cc1S(=O)(=O)N1CCOCC1 ZINC000013031644 556443030 /nfs/dbraw/zinc/44/30/30/556443030.db2.gz ZVLFFMCQUKCUDU-GOSISDBHSA-N 1 1 449.598 2.853 50 0 IFAAMO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3CC=C(c4ccccc4)CC3)CC2)cc1 ZINC000013040364 556446318 /nfs/dbraw/zinc/44/63/18/556446318.db2.gz AKHFAYWITYKUDS-UHFFFAOYSA-N 1 1 439.581 2.617 50 0 IFAAMO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CC=C(c4ccccc4)CC3)CC2)cc1 ZINC000013040364 556446321 /nfs/dbraw/zinc/44/63/21/556446321.db2.gz AKHFAYWITYKUDS-UHFFFAOYSA-N 1 1 439.581 2.617 50 0 IFAAMO COc1ccc(C[N@@H+]2CCc3c(C(=O)N4CCCC4)c(OC)cc(=O)n3CC2)c(C)c1C ZINC000014888493 556455898 /nfs/dbraw/zinc/45/58/98/556455898.db2.gz RWQDASACNOZJTR-UHFFFAOYSA-N 1 1 439.556 2.777 50 0 IFAAMO CC(C)NS(=O)(=O)c1ccc(N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)nc1 ZINC000032869554 556457568 /nfs/dbraw/zinc/45/75/68/556457568.db2.gz GHVJHZUZCVWPLD-UHFFFAOYSA-N 1 1 438.981 2.623 50 0 IFAAMO COc1ccc(CC[C@@H](C)[N@@H+]2CCc3nnc(CCNC(=O)c4cccnc4)n3CC2)cc1 ZINC000014976619 556469119 /nfs/dbraw/zinc/46/91/19/556469119.db2.gz FGAORUZLVMDWQM-LJQANCHMSA-N 1 1 448.571 2.534 50 0 IFAAMO COc1cc(C[N@H+]2CCCC[C@H]2CCn2cc(C(=O)NC3CC3)nn2)cc(OC)c1OC ZINC000014981227 556470981 /nfs/dbraw/zinc/47/09/81/556470981.db2.gz HPPSKAPZUCMKOR-SFHVURJKSA-N 1 1 443.548 2.641 50 0 IFAAMO CCC[NH+]1CCN(C(=O)[C@H]2Cc3nc(NC(=O)c4cccs4)sc3C(=O)C2)CC1 ZINC000014987802 556473249 /nfs/dbraw/zinc/47/32/49/556473249.db2.gz CSDRDMCVWHHVSS-ZDUSSCGKSA-N 1 1 432.571 2.756 50 0 IFAAMO COc1ccc(C[N@@H+]2CCc3nnc(CCNC(=O)c4ccc(F)cc4)n3CC2)cc1C ZINC000014988940 556474040 /nfs/dbraw/zinc/47/40/40/556474040.db2.gz KNWDFTKNNYEDBE-UHFFFAOYSA-N 1 1 437.519 2.765 50 0 IFAAMO COc1cccc(C(=O)N[C@H](C)c2nnc3n2CC[N@H+](Cc2ccccc2OC)CC3)c1 ZINC000014989816 556474325 /nfs/dbraw/zinc/47/43/25/556474325.db2.gz MQLFKJANWXOHEU-QGZVFWFLSA-N 1 1 435.528 2.845 50 0 IFAAMO CC[C@H](C)[C@H](NC1CCN(c2ccc(C(=O)N3CC[NH+](CC)CC3)cc2)CC1)C(=O)OC ZINC000014994497 556476902 /nfs/dbraw/zinc/47/69/02/556476902.db2.gz GAQVPNZQWIHBIW-CVDCTZTESA-N 1 1 444.620 2.610 50 0 IFAAMO C[NH+]1CCN(NC(=O)CSc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2)CC1 ZINC000013425445 556505619 /nfs/dbraw/zinc/50/56/19/556505619.db2.gz VYLLMKKOISMOLN-UHFFFAOYSA-N 1 1 429.443 2.672 50 0 IFAAMO CCC(=O)N1c2ccccc2C[C@@H]1C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000022937701 556506599 /nfs/dbraw/zinc/50/65/99/556506599.db2.gz QGFFOZRTQXCLKB-XMMPIXPASA-N 1 1 434.584 2.678 50 0 IFAAMO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc1OC ZINC000015298089 556516482 /nfs/dbraw/zinc/51/64/82/556516482.db2.gz LTTBTXVKVDATDH-LBPRGKRZSA-N 1 1 439.434 2.696 50 0 IFAAMO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc1OC ZINC000015298089 556516486 /nfs/dbraw/zinc/51/64/86/556516486.db2.gz LTTBTXVKVDATDH-LBPRGKRZSA-N 1 1 439.434 2.696 50 0 IFAAMO CCOCCCNC(=O)[C@H]1CCC[N@H+](Cc2nc(-c3ccc(OC)c(OC)c3)no2)C1 ZINC000015726107 556547400 /nfs/dbraw/zinc/54/74/00/556547400.db2.gz NSFQKXBIECTZGD-KRWDZBQOSA-N 1 1 432.521 2.509 50 0 IFAAMO CCOCCCNC(=O)[C@H]1CCC[N@@H+](Cc2nc(-c3ccc(OC)c(OC)c3)no2)C1 ZINC000015726107 556547404 /nfs/dbraw/zinc/54/74/04/556547404.db2.gz NSFQKXBIECTZGD-KRWDZBQOSA-N 1 1 432.521 2.509 50 0 IFAAMO CCOCCCNC(=O)[C@@H]1CCC[N@H+](Cc2nc(-c3ccc(OC)c(OC)c3)no2)C1 ZINC000015726105 556547517 /nfs/dbraw/zinc/54/75/17/556547517.db2.gz NSFQKXBIECTZGD-QGZVFWFLSA-N 1 1 432.521 2.509 50 0 IFAAMO CCOCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc(OC)c(OC)c3)no2)C1 ZINC000015726105 556547519 /nfs/dbraw/zinc/54/75/19/556547519.db2.gz NSFQKXBIECTZGD-QGZVFWFLSA-N 1 1 432.521 2.509 50 0 IFAAMO Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCC[NH+]3CCOCC3)c2C)cc1 ZINC000013678342 556555536 /nfs/dbraw/zinc/55/55/36/556555536.db2.gz QFTUOCXTGHRTKL-UHFFFAOYSA-N 1 1 431.558 2.556 50 0 IFAAMO CC[NH+]1CCN(C(=O)CN(Cc2ccccc2)S(=O)(=O)c2c(C)cc(C)cc2C)CC1 ZINC000019639108 556576135 /nfs/dbraw/zinc/57/61/35/556576135.db2.gz UCHHSIMKTWLFSI-UHFFFAOYSA-N 1 1 443.613 2.967 50 0 IFAAMO CN(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000016187621 556587654 /nfs/dbraw/zinc/58/76/54/556587654.db2.gz SYBDVVWEAGUUBV-UHFFFAOYSA-N 1 1 437.565 2.805 50 0 IFAAMO Cc1ccc(NC(=O)c2nnc(COCC(=O)NCC[N@@H+]3CCCC[C@H]3C)s2)cc1 ZINC000032987484 556607668 /nfs/dbraw/zinc/60/76/68/556607668.db2.gz OCDCPDCZIBVSGN-MRXNPFEDSA-N 1 1 431.562 2.606 50 0 IFAAMO COc1ccc(/C=C/C(=O)NCC(=O)N2CCC([N@@H+](C)C3CCCC3)CC2)cc1OC ZINC000005057784 556627970 /nfs/dbraw/zinc/62/79/70/556627970.db2.gz WVPAZGGDQCZPCM-PKNBQFBNSA-N 1 1 429.561 2.699 50 0 IFAAMO C[N@H+](CCOc1ccc(Cl)cc1)CC(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000016699263 556629243 /nfs/dbraw/zinc/62/92/43/556629243.db2.gz GLXQWIMSGBEWFJ-UHFFFAOYSA-N 1 1 431.964 2.799 50 0 IFAAMO C[N@@H+](CCOc1ccc(Cl)cc1)CC(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000016699263 556629246 /nfs/dbraw/zinc/62/92/46/556629246.db2.gz GLXQWIMSGBEWFJ-UHFFFAOYSA-N 1 1 431.964 2.799 50 0 IFAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000409414899 556641302 /nfs/dbraw/zinc/64/13/02/556641302.db2.gz YIDXDQPJEVULJJ-KMDXXIMOSA-N 1 1 441.616 2.817 50 0 IFAAMO CNS(=O)(=O)c1cc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)ccc1F ZINC000252676181 556694426 /nfs/dbraw/zinc/69/44/26/556694426.db2.gz WGXOMGVFFROYDG-OXQOHEQNSA-N 1 1 433.549 2.716 50 0 IFAAMO CCN1CCN(C[C@H](O)COc2cccc(C[NH2+]CCCc3scnc3C)c2)CC1 ZINC000019224693 556716624 /nfs/dbraw/zinc/71/66/24/556716624.db2.gz MOKVIXGWJZQHNS-NRFANRHFSA-N 1 1 432.634 2.551 50 0 IFAAMO Cc1nc(C(=O)N2CCC[C@@H]([NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cs1 ZINC000019229076 556717873 /nfs/dbraw/zinc/71/78/73/556717873.db2.gz GTYBLCVPELPGKR-GOSISDBHSA-N 1 1 428.558 2.603 50 0 IFAAMO O=C(Cc1ccc(F)cc1)NCCc1nnc2n1CC[N@@H+](Cc1cc(F)cc(F)c1)CC2 ZINC000019300378 556735076 /nfs/dbraw/zinc/73/50/76/556735076.db2.gz HOSWHKURGWUXDZ-UHFFFAOYSA-N 1 1 443.473 2.655 50 0 IFAAMO O=C(Cc1ccc(F)cc1)NCCc1nnc2n1CC[N@H+](Cc1cc(F)cc(F)c1)CC2 ZINC000019300378 556735079 /nfs/dbraw/zinc/73/50/79/556735079.db2.gz HOSWHKURGWUXDZ-UHFFFAOYSA-N 1 1 443.473 2.655 50 0 IFAAMO COc1ccc(NC(=O)NC[C@H]([C@H]2CCOC2)[NH+]2CCOCC2)cc1OC1CCCC1 ZINC000058091034 556757631 /nfs/dbraw/zinc/75/76/31/556757631.db2.gz KWRUZXOAEZMJFA-FXAWDEMLSA-N 1 1 433.549 2.875 50 0 IFAAMO CN1CCC([N@H+](C)C[C@H](NC(=O)C2CCN(c3ncccn3)CC2)c2ccccc2)CC1 ZINC000058393240 556785046 /nfs/dbraw/zinc/78/50/46/556785046.db2.gz KFIQZDNQCPWLPC-QHCPKHFHSA-N 1 1 436.604 2.577 50 0 IFAAMO CN1CCC([N@@H+](C)C[C@H](NC(=O)C2CCN(c3ncccn3)CC2)c2ccccc2)CC1 ZINC000058393240 556785050 /nfs/dbraw/zinc/78/50/50/556785050.db2.gz KFIQZDNQCPWLPC-QHCPKHFHSA-N 1 1 436.604 2.577 50 0 IFAAMO C[N@H+]1CCCN(c2ccc(CNC(=O)c3ccc4c(c3)NC(=O)CCS4)cn2)CC1 ZINC000058441634 556789261 /nfs/dbraw/zinc/78/92/61/556789261.db2.gz DMQPZBLBVXRCTR-UHFFFAOYSA-N 1 1 425.558 2.588 50 0 IFAAMO CCN1CC[NH+](Cc2ccc(CNC(=O)c3ccccc3S(=O)(=O)CC)cc2)CC1 ZINC000059060657 556794575 /nfs/dbraw/zinc/79/45/75/556794575.db2.gz VZXCKBWWBAYGPR-UHFFFAOYSA-N 1 1 429.586 2.548 50 0 IFAAMO COC(=O)c1ccc(CNC(=O)[C@H](C)N2CCC[N@H+](Cc3ccccc3F)CC2)cc1 ZINC000060378111 556807418 /nfs/dbraw/zinc/80/74/18/556807418.db2.gz LASWNUKUMMVAQT-SFHVURJKSA-N 1 1 427.520 2.825 50 0 IFAAMO COC(=O)c1ccc(CNC(=O)[C@H](C)N2CCC[N@@H+](Cc3ccccc3F)CC2)cc1 ZINC000060378111 556807421 /nfs/dbraw/zinc/80/74/21/556807421.db2.gz LASWNUKUMMVAQT-SFHVURJKSA-N 1 1 427.520 2.825 50 0 IFAAMO COC(=O)c1ccc(CNC(=O)[C@H](C)[N@@H+]2CCCN(Cc3ccccc3F)CC2)cc1 ZINC000060378111 556807425 /nfs/dbraw/zinc/80/74/25/556807425.db2.gz LASWNUKUMMVAQT-SFHVURJKSA-N 1 1 427.520 2.825 50 0 IFAAMO COC(=O)c1ccc(CNC(=O)[C@H](C)[N@H+]2CCCN(Cc3ccccc3F)CC2)cc1 ZINC000060378111 556807427 /nfs/dbraw/zinc/80/74/27/556807427.db2.gz LASWNUKUMMVAQT-SFHVURJKSA-N 1 1 427.520 2.825 50 0 IFAAMO C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1ccc(Br)cc1 ZINC000003540539 556817400 /nfs/dbraw/zinc/81/74/00/556817400.db2.gz NXFMTIXZXZXGLL-LBPRGKRZSA-N 1 1 426.336 2.556 50 0 IFAAMO C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1ccc(Br)cc1 ZINC000003540539 556817401 /nfs/dbraw/zinc/81/74/01/556817401.db2.gz NXFMTIXZXZXGLL-LBPRGKRZSA-N 1 1 426.336 2.556 50 0 IFAAMO CCOc1ccc(CC(=O)N2CCC[N@@H+]([C@@H]3CCN(Cc4ccccc4)C3=O)CC2)cc1 ZINC000097945168 556826532 /nfs/dbraw/zinc/82/65/32/556826532.db2.gz KMSAXWWPFQFPHS-XMMPIXPASA-N 1 1 435.568 2.963 50 0 IFAAMO CCOc1ccc(CC(=O)N2CCC[N@H+]([C@@H]3CCN(Cc4ccccc4)C3=O)CC2)cc1 ZINC000097945168 556826534 /nfs/dbraw/zinc/82/65/34/556826534.db2.gz KMSAXWWPFQFPHS-XMMPIXPASA-N 1 1 435.568 2.963 50 0 IFAAMO COc1ccccc1N1CCN([C@@H]2CCC[N@@H+](Cc3ccc(OCCO)cc3)C2)CC1 ZINC000019635483 556834751 /nfs/dbraw/zinc/83/47/51/556834751.db2.gz DTMGVDWBNKLNRX-JOCHJYFZSA-N 1 1 425.573 2.853 50 0 IFAAMO COc1ccccc1N1CC[NH+]([C@@H]2CCCN(Cc3ccc(OCCO)cc3)C2)CC1 ZINC000019635483 556834754 /nfs/dbraw/zinc/83/47/54/556834754.db2.gz DTMGVDWBNKLNRX-JOCHJYFZSA-N 1 1 425.573 2.853 50 0 IFAAMO CC(=O)N1CCCc2cc(S(=O)(=O)NCCC[N@H+]3CCc4ccccc4C3)ccc21 ZINC000033077324 556854494 /nfs/dbraw/zinc/85/44/94/556854494.db2.gz 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Cc1ccc(C2=NN(C(=O)C[NH+]3CCC(C(N)=O)CC3)[C@@H](c3ccc4c(c3)OCO4)C2)cc1 ZINC000036342645 569079435 /nfs/dbraw/zinc/07/94/35/569079435.db2.gz BSTRGAWOOJDNGY-OAQYLSRUSA-N 1 1 448.523 2.599 50 0 IFAAMO COc1ccc([C@H]2CC(c3ccccc3F)=NN2C(=O)CN2CC[NH+](C)CC2)c(OC)c1 ZINC000036343211 569079596 /nfs/dbraw/zinc/07/95/96/569079596.db2.gz VBQDISHIQCDOHR-JOCHJYFZSA-N 1 1 440.519 2.768 50 0 IFAAMO COc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2C(=O)CN2CC[NH+](C)CC2)c(OC)c1 ZINC000036344192 569080035 /nfs/dbraw/zinc/08/00/35/569080035.db2.gz ZVHILCKGTRMXLW-QFIPXVFZSA-N 1 1 440.519 2.768 50 0 IFAAMO COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2C(=O)CN2CC[NH+](C)CC2)c(OC)c1 ZINC000036343402 569080501 /nfs/dbraw/zinc/08/05/01/569080501.db2.gz HAJXWULZWQOHFX-HSZRJFAPSA-N 1 1 436.556 2.937 50 0 IFAAMO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)C1=C(c2ccccc2)S(=O)(=O)CCO1 ZINC000036358442 569084995 /nfs/dbraw/zinc/08/49/95/569084995.db2.gz AMHDWJMJAROPGY-HXUWFJFHSA-N 1 1 426.538 2.754 50 0 IFAAMO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)C1=C(c2ccccc2)S(=O)(=O)CCO1 ZINC000036358441 569085055 /nfs/dbraw/zinc/08/50/55/569085055.db2.gz AMHDWJMJAROPGY-FQEVSTJZSA-N 1 1 426.538 2.754 50 0 IFAAMO Cc1ccc(-c2ccc(N3CC[NH+](C)CC3)nn2)cc1S(=O)(=O)N1CCC(C)CC1 ZINC000065009352 569087908 /nfs/dbraw/zinc/08/79/08/569087908.db2.gz VQAKSJIKFHUFCY-UHFFFAOYSA-N 1 1 429.590 2.624 50 0 IFAAMO COc1ccc([C@H]2CCCCC[N@H+]2CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)cc1 ZINC000036384052 569092784 /nfs/dbraw/zinc/09/27/84/569092784.db2.gz FNGZRGLXURCRQV-JOCHJYFZSA-N 1 1 444.620 2.671 50 0 IFAAMO CC[NH+]1CCN(C(=O)[C@@H](C)C2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CC1 ZINC000065062253 569096823 /nfs/dbraw/zinc/09/68/23/569096823.db2.gz DYZPKGOCRSAXKG-AWEZNQCLSA-N 1 1 434.027 2.602 50 0 IFAAMO CC[NH+]1CCN(C(=O)[C@H](C)C2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CC1 ZINC000065062255 569097062 /nfs/dbraw/zinc/09/70/62/569097062.db2.gz DYZPKGOCRSAXKG-CQSZACIVSA-N 1 1 434.027 2.602 50 0 IFAAMO O=C(Nc1ccc(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)cc1)c1ccc(=O)[nH]c1 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Cc1cccn2c(=O)cc(CSCC[N@H+](C)Cc3cc(=O)n4cccc(C)c4n3)nc12 ZINC000328593560 569317423 /nfs/dbraw/zinc/31/74/23/569317423.db2.gz IVTYCYQNMDNNLR-UHFFFAOYSA-N 1 1 435.553 2.684 50 0 IFAAMO C[N@H+](C[C@H](O)COc1ccc(Cl)cc1Br)[C@@H]1CCC[C@@H]1S(C)(=O)=O ZINC000078970270 569321006 /nfs/dbraw/zinc/32/10/06/569321006.db2.gz TVOVFUMLBFCUFG-BJJXKVORSA-N 1 1 440.787 2.740 50 0 IFAAMO C[N@@H+](C[C@H](O)COc1ccc(Cl)cc1Br)[C@@H]1CCC[C@@H]1S(C)(=O)=O ZINC000078970270 569321008 /nfs/dbraw/zinc/32/10/08/569321008.db2.gz TVOVFUMLBFCUFG-BJJXKVORSA-N 1 1 440.787 2.740 50 0 IFAAMO C[C@@H](CO)[NH+]1CCN([C@@H](C)C(=O)Nc2ccc(Br)cc2Br)CC1 ZINC000079016386 569322123 /nfs/dbraw/zinc/32/21/23/569322123.db2.gz PEVZOJZDZCOPIT-RYUDHWBXSA-N 1 1 449.187 2.537 50 0 IFAAMO COc1cc(NC2CC[NH+](CC(=O)NC(=O)N[C@@H]3CCCC[C@@H]3C)CC2)cc(OC)c1 ZINC000079025644 569322729 /nfs/dbraw/zinc/32/27/29/569322729.db2.gz OHIRDJRIRPLWGE-HRAATJIYSA-N 1 1 432.565 2.985 50 0 IFAAMO COc1ccc([C@@H]2[C@H](C(=O)N3CC[NH+](C)CC3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000020104398 569334116 /nfs/dbraw/zinc/33/41/16/569334116.db2.gz LGYXRJGYTPHVFD-ISKFKSNPSA-N 1 1 437.540 2.962 50 0 IFAAMO COc1ccc([C@H]2[C@H](C(=O)N3CC[NH+](C)CC3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000020104400 569334155 /nfs/dbraw/zinc/33/41/55/569334155.db2.gz LGYXRJGYTPHVFD-VWNXMTODSA-N 1 1 437.540 2.962 50 0 IFAAMO CCOc1ccc2nc(N3CCC[C@H](C(=O)NCCC[NH+]4CCN(C)CC4)C3)sc2c1 ZINC000020383556 569362745 /nfs/dbraw/zinc/36/27/45/569362745.db2.gz HZDZNILIUSYJQU-SFHVURJKSA-N 1 1 445.633 2.665 50 0 IFAAMO O=C([C@@H]1CCCN(c2nnc(-n3cccc3)s2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020414934 569364301 /nfs/dbraw/zinc/36/43/01/569364301.db2.gz BEESUNCPFLPQOX-HXUWFJFHSA-N 1 1 436.585 2.890 50 0 IFAAMO COc1ccc(C(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)nc1I ZINC000095444726 569367123 /nfs/dbraw/zinc/36/71/23/569367123.db2.gz JQAWFGOOTOGFCJ-FRRDWIJNSA-N 1 1 431.318 2.791 50 0 IFAAMO O=C([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCc2c(ncn2CCc2ccccc2)C1 ZINC000095456439 569368867 /nfs/dbraw/zinc/36/88/67/569368867.db2.gz WATFFVFYPJIFJR-VWLOTQADSA-N 1 1 430.552 2.912 50 0 IFAAMO O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCc2c(ncn2CCc2ccccc2)C1 ZINC000095456439 569368868 /nfs/dbraw/zinc/36/88/68/569368868.db2.gz WATFFVFYPJIFJR-VWLOTQADSA-N 1 1 430.552 2.912 50 0 IFAAMO CC(C)[C@H](C(=O)NCCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1)N1CCCC1=O ZINC000095460264 569369639 /nfs/dbraw/zinc/36/96/39/569369639.db2.gz GMDLLBWOFMZYRL-JXALWOEJSA-N 1 1 429.605 2.959 50 0 IFAAMO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@H](CC(C)C)N3CCCCC3=O)cc2)CC1 ZINC000095991544 569378137 /nfs/dbraw/zinc/37/81/37/569378137.db2.gz SZAQIBOXWJVZBI-QFIPXVFZSA-N 1 1 428.577 2.716 50 0 IFAAMO O=C(NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)[C@@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000096011736 569379915 /nfs/dbraw/zinc/37/99/15/569379915.db2.gz BGSKLVSNAOEQGL-DNVJHFABSA-N 1 1 427.589 2.688 50 0 IFAAMO 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O=C1C[C@@H]([N@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)C(=O)N1Cc1ccccc1 ZINC000102616553 557359342 /nfs/dbraw/zinc/35/93/42/557359342.db2.gz SENLKCNRBXNDDM-GOSISDBHSA-N 1 1 432.446 2.940 50 0 IFAAMO CS(=O)(=O)NC1=NC2=[NH+]C(c3ccc(Br)cc3)=C[C@@H](c3ccccc3)N2N1 ZINC000100486429 557408956 /nfs/dbraw/zinc/40/89/56/557408956.db2.gz DMGGJCYYAQOUKF-INIZCTEOSA-N 1 1 446.330 2.626 50 0 IFAAMO CCOC(=O)C1=C(C[N@H+]2CCC[C@@H](C(=O)OCC)C2)N(C)C(=O)N[C@@H]1c1ccc(F)cc1 ZINC000104937867 557466156 /nfs/dbraw/zinc/46/61/56/557466156.db2.gz BZPBUWOIALEHDD-OXQOHEQNSA-N 1 1 447.507 2.614 50 0 IFAAMO CCOC(=O)C1=C(C[N@@H+]2CCC[C@@H](C(=O)OCC)C2)N(C)C(=O)N[C@@H]1c1ccc(F)cc1 ZINC000104937867 557466157 /nfs/dbraw/zinc/46/61/57/557466157.db2.gz BZPBUWOIALEHDD-OXQOHEQNSA-N 1 1 447.507 2.614 50 0 IFAAMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C1CCN(c2ccc3nncn3n2)CC1 ZINC000225759071 557773844 /nfs/dbraw/zinc/77/38/44/557773844.db2.gz FNNHEDDRSCHIDX-OAQYLSRUSA-N 1 1 447.587 2.758 50 0 IFAAMO CC(C)(C)N1C(=O)NC(=O)[C@@]2(Cc3ccccc3N3CC[N@@H+](Cc4ccccc4)C[C@H]32)C1=O ZINC000229897131 557833567 /nfs/dbraw/zinc/83/35/67/557833567.db2.gz ZTJBMVGUEXXISD-LVXARBLLSA-N 1 1 446.551 2.797 50 0 IFAAMO CC(C)(C)N1C(=O)NC(=O)[C@]2(Cc3ccccc3N3CC[N@@H+](Cc4ccccc4)C[C@H]32)C1=O ZINC000229897136 557833677 /nfs/dbraw/zinc/83/36/77/557833677.db2.gz ZTJBMVGUEXXISD-HFZDXXHNSA-N 1 1 446.551 2.797 50 0 IFAAMO CC[C@@H]1CCCC[N@H+]1Cc1ccc(CNS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)o1 ZINC000002433408 562927722 /nfs/dbraw/zinc/92/77/22/562927722.db2.gz SVULNGAEWAIQRI-OAHLLOKOSA-N 1 1 433.530 2.968 50 0 IFAAMO COc1cc(-c2cc(C(=O)NN3CC[NH+](C)CC3)c3ccccc3n2)cc(OC)c1OC ZINC000008691182 562963389 /nfs/dbraw/zinc/96/33/89/562963389.db2.gz SJQLIYMTUHVNKJ-UHFFFAOYSA-N 1 1 436.512 2.820 50 0 IFAAMO O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@H](c1ccccc1)[NH+]1CCCCC1 ZINC000009814239 562977164 /nfs/dbraw/zinc/97/71/64/562977164.db2.gz IWEGLPXBHQWOOO-QFIPXVFZSA-N 1 1 443.569 2.873 50 0 IFAAMO CC[C@H]1C(=O)NCCN1Cc1ccc2c(c1)C[N@@H+](Cc1ccc3c(c1)OCCO3)CCO2 ZINC000012079925 562980745 /nfs/dbraw/zinc/98/07/45/562980745.db2.gz XTWYUWTXHNFZKX-NRFANRHFSA-N 1 1 437.540 2.563 50 0 IFAAMO CC[C@H]1C(=O)NCCN1Cc1ccc2c(c1)C[N@H+](Cc1ccc3c(c1)OCCO3)CCO2 ZINC000012079925 562980747 /nfs/dbraw/zinc/98/07/47/562980747.db2.gz XTWYUWTXHNFZKX-NRFANRHFSA-N 1 1 437.540 2.563 50 0 IFAAMO COc1ccc(C[N@H+]2CCN(Cc3cccn3-c3ncccn3)C[C@@H]2CCO)c(C)c1C ZINC000019740707 563022857 /nfs/dbraw/zinc/02/28/57/563022857.db2.gz RKEDTVFJAZZGGD-QFIPXVFZSA-N 1 1 435.572 2.962 50 0 IFAAMO CC[C@H]1C(=O)NCCN1Cc1ccc2c(c1)C[N@@H+](Cc1ccc(OC)c(OC)c1)CCO2 ZINC000055042537 563142321 /nfs/dbraw/zinc/14/23/21/563142321.db2.gz KLJLDYBMIDTKMP-NRFANRHFSA-N 1 1 439.556 2.809 50 0 IFAAMO CC[C@H]1C(=O)NCCN1Cc1ccc2c(c1)C[N@H+](Cc1ccc(OC)c(OC)c1)CCO2 ZINC000055042537 563142322 /nfs/dbraw/zinc/14/23/22/563142322.db2.gz KLJLDYBMIDTKMP-NRFANRHFSA-N 1 1 439.556 2.809 50 0 IFAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cnn(-c2nccc(-c3cccs3)n2)c1COC 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/nfs/dbraw/zinc/82/31/32/568823132.db2.gz FSMPAOZENJZRSP-JOCHJYFZSA-N 1 1 426.948 2.556 50 0 IFAAMO COCCCN(C[C@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)C1CCC(Cn2cnnn2)CC1 ZINC000583652734 568837704 /nfs/dbraw/zinc/83/77/04/568837704.db2.gz JMSFYYLVOKFYCM-LIKPIUCQSA-N 1 1 432.613 2.609 50 0 IFAAMO COc1ccc(S(=O)(=O)NC[C@@H](c2csc3ccccc32)[NH+](C)C)cc1C(N)=O ZINC000575618813 568882373 /nfs/dbraw/zinc/88/23/73/568882373.db2.gz CSUPGTNPBHPCCL-KRWDZBQOSA-N 1 1 433.555 2.590 50 0 IFAAMO O=C1Nc2ccc(Cl)cc2[C@@]12[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000226930584 568885585 /nfs/dbraw/zinc/88/55/85/568885585.db2.gz ZPUIQBHQSAJUFT-KCXPTXFHSA-N 1 1 425.847 2.910 50 0 IFAAMO O=C1Nc2ccc(Cl)cc2[C@@]12[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000226930584 568885588 /nfs/dbraw/zinc/88/55/88/568885588.db2.gz ZPUIQBHQSAJUFT-KCXPTXFHSA-N 1 1 425.847 2.910 50 0 IFAAMO COc1ccc(OC[C@H](O)C[N@@H+](CCN2CCOCC2)Cc2ccc(C)cc2C)cc1 ZINC000036098871 568951965 /nfs/dbraw/zinc/95/19/65/568951965.db2.gz WOLOMKJHRUOXCF-HSZRJFAPSA-N 1 1 428.573 2.886 50 0 IFAAMO Cc1cccc(CNC(=O)c2cnn3c2n(C)c2c(c3=O)C[N@H+](Cc3ccccc3)CC2)c1 ZINC000064836176 568969073 /nfs/dbraw/zinc/96/90/73/568969073.db2.gz MZGMKDKHORLRET-UHFFFAOYSA-N 1 1 441.535 2.830 50 0 IFAAMO CC[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Cn1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064839380 568969725 /nfs/dbraw/zinc/96/97/25/568969725.db2.gz QFHLALFCCFYILV-LJQANCHMSA-N 1 1 431.540 2.915 50 0 IFAAMO Cc1c(S(=O)(=O)N2CC[NH+](C3CCCCC3)CC2)cc(C(=O)N2CCCCC2)n1C ZINC000064922228 568985961 /nfs/dbraw/zinc/98/59/61/568985961.db2.gz YUZVTYZAUSLQDS-UHFFFAOYSA-N 1 1 436.622 2.599 50 0 IFAAMO COc1ccc2c(c1)N1CC[N@H+](Cc3ccc(F)cc3)C[C@@H]1[C@@H](C(=O)N1CCOCC1)C2 ZINC000169678709 568989921 /nfs/dbraw/zinc/98/99/21/568989921.db2.gz AXDSFLYXYQDUEG-LADGPHEKSA-N 1 1 439.531 2.556 50 0 IFAAMO COCCCNC(=O)[C@@H]1Cc2ccc(OC)cc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000169678671 568990013 /nfs/dbraw/zinc/99/00/13/568990013.db2.gz WKZUHOYJWDCEEH-VWNXMTODSA-N 1 1 441.547 2.850 50 0 IFAAMO CCc1nc(C)nc(N2CC[NH+](C[C@H](O)COC(C)C)CC2)c1Cc1ccc(F)cc1 ZINC000036340774 569078510 /nfs/dbraw/zinc/07/85/10/569078510.db2.gz QUTSCRFAYGHGKR-NRFANRHFSA-N 1 1 430.568 2.985 50 0 IFAAMO Cc1nc(C)c(Cc2cccc(F)c2)c(N2CC[NH+](C[C@H](O)COCC(C)C)CC2)n1 ZINC000036340172 569078761 /nfs/dbraw/zinc/07/87/61/569078761.db2.gz LVFPNXBYCSTZJV-QFIPXVFZSA-N 1 1 430.568 2.979 50 0 IFAAMO CCOc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000036342566 569079462 /nfs/dbraw/zinc/07/94/62/569079462.db2.gz REGGROSAIOUFRH-QHCPKHFHSA-N 1 1 434.540 2.960 50 0 IFAAMO Cn1cccc1[C@@H]1CC(c2ccc(F)cc2)=NN1C(=O)C[NH+]1CCC2(CC1)OCCO2 ZINC000036342436 569079521 /nfs/dbraw/zinc/07/95/21/569079521.db2.gz QBOCLAYPHNWRRV-NRFANRHFSA-N 1 1 426.492 2.681 50 0 IFAAMO COc1ccc([C@@H]2CC(c3cccc(F)c3)=NN2C(=O)CN2CC[NH+](C)CC2)c(OC)c1 ZINC000036344502 569080296 /nfs/dbraw/zinc/08/02/96/569080296.db2.gz CDZFADUHKUDLDP-QFIPXVFZSA-N 1 1 440.519 2.768 50 0 IFAAMO COc1ccc(-c2noc(N3CCC(C(=O)NCC[N@H+]4CCCC[C@H]4C)CC3)n2)cc1 ZINC000006834249 569084404 /nfs/dbraw/zinc/08/44/04/569084404.db2.gz OPUFCJWZKIVSIQ-QGZVFWFLSA-N 1 1 427.549 2.952 50 0 IFAAMO COc1ccc(-c2noc(N3CCC(C(=O)NCC[N@H+]4CCCC[C@@H]4C)CC3)n2)cc1 ZINC000006834269 569084419 /nfs/dbraw/zinc/08/44/19/569084419.db2.gz OPUFCJWZKIVSIQ-KRWDZBQOSA-N 1 1 427.549 2.952 50 0 IFAAMO O=C(NCCC[NH+]1CCOCC1)C1CCN(c2nccnc2Sc2ccccc2)CC1 ZINC000065081683 569102035 /nfs/dbraw/zinc/10/20/35/569102035.db2.gz ANLPXJVAINWRKM-UHFFFAOYSA-N 1 1 441.601 2.683 50 0 IFAAMO O=C(NCCC[NH+]1CCOCC1)c1cccc2c1CCN2C(=O)Nc1ccc(F)cc1 ZINC000065210102 569116574 /nfs/dbraw/zinc/11/65/74/569116574.db2.gz DPVNJEXXZUIBLC-UHFFFAOYSA-N 1 1 426.492 2.872 50 0 IFAAMO CC(C)c1ccc(CNC(=O)C2CCN(c3cncnc3N3CC[NH+](C)CC3)CC2)cc1 ZINC000065226936 569117970 /nfs/dbraw/zinc/11/79/70/569117970.db2.gz BLYGBHDACFODLB-UHFFFAOYSA-N 1 1 436.604 2.885 50 0 IFAAMO COc1ccc(-c2cc3c(=O)n(Cc4noc(C[N@@H+]5CCCC[C@H]5C)n4)ccn3n2)cc1 ZINC000065235970 569119315 /nfs/dbraw/zinc/11/93/15/569119315.db2.gz PTYGDBCJIGHVMJ-MRXNPFEDSA-N 1 1 434.500 2.977 50 0 IFAAMO COc1ccc(-c2cc3c(=O)n(Cc4noc(C[N@H+]5CCCC[C@H]5C)n4)ccn3n2)cc1 ZINC000065235970 569119316 /nfs/dbraw/zinc/11/93/16/569119316.db2.gz PTYGDBCJIGHVMJ-MRXNPFEDSA-N 1 1 434.500 2.977 50 0 IFAAMO Cc1ccccc1OCC(=O)N1CCC[N@@H+]([C@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000065293326 569131064 /nfs/dbraw/zinc/13/10/64/569131064.db2.gz RACSGCYRYGBFPM-QFIPXVFZSA-N 1 1 439.531 2.848 50 0 IFAAMO Cc1ccccc1OCC(=O)N1CCC[N@H+]([C@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000065293326 569131065 /nfs/dbraw/zinc/13/10/65/569131065.db2.gz RACSGCYRYGBFPM-QFIPXVFZSA-N 1 1 439.531 2.848 50 0 IFAAMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)C=C2CC(=O)N(c3cccc(Cl)c3)N2)cc1 ZINC000170596627 569141741 /nfs/dbraw/zinc/14/17/41/569141741.db2.gz AWXOKCOFLGFIEV-UHFFFAOYSA-N 1 1 427.892 2.962 50 0 IFAAMO Cc1ccc(CNC(=O)c2nnc(C[NH2+][C@@H]3CCCC[C@@H]3N3CCOCC3)s2)cc1 ZINC000170607320 569144296 /nfs/dbraw/zinc/14/42/96/569144296.db2.gz 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COCC[N@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H]2CCCO2)C[C@@H]1C ZINC000252503485 569188087 /nfs/dbraw/zinc/18/80/87/569188087.db2.gz VDKDZQUEIAPUKF-UNMCSNQZSA-N 1 1 443.592 2.810 50 0 IFAAMO COCC[N@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H]2CCCO2)C[C@@H]1C ZINC000252503484 569188105 /nfs/dbraw/zinc/18/81/05/569188105.db2.gz VDKDZQUEIAPUKF-RBBKRZOGSA-N 1 1 443.592 2.810 50 0 IFAAMO Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC[C@@H]3CCC[N@H+]3C3CCCCC3)C2=O)cc1 ZINC000252510529 569188625 /nfs/dbraw/zinc/18/86/25/569188625.db2.gz ZMXUHZICUKVDSH-GBXCKJPGSA-N 1 1 426.561 2.675 50 0 IFAAMO O=C(CC[C@H]1NC(=O)N(CCc2ccccc2)C1=O)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000252569074 569191064 /nfs/dbraw/zinc/19/10/64/569191064.db2.gz VXENKVFMDBFXKA-PWRODBHTSA-N 1 1 426.561 2.515 50 0 IFAAMO O=C(C[N@H+]1CC[C@@H](C(CO)CO)C1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000252669969 569209923 /nfs/dbraw/zinc/20/99/23/569209923.db2.gz JDFTVFVUWMDKIY-UZLBHIALSA-N 1 1 431.920 2.533 50 0 IFAAMO O=C(C[N@@H+]1CC[C@@H](C(CO)CO)C1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000252669969 569209925 /nfs/dbraw/zinc/20/99/25/569209925.db2.gz JDFTVFVUWMDKIY-UZLBHIALSA-N 1 1 431.920 2.533 50 0 IFAAMO CC(C)C[NH+]1CCN([C@@H]2CCOC3(CCN(C(=O)c4n[nH]c5ccccc54)CC3)C2)CC1 ZINC000581819713 569211453 /nfs/dbraw/zinc/21/14/53/569211453.db2.gz DDJVPNSCQCLTFO-HXUWFJFHSA-N 1 1 439.604 2.990 50 0 IFAAMO CC(C)C[NH+]1CCN([C@H]2CCOC3(CCN(S(=O)(=O)Cc4ccccc4)CC3)C2)CC1 ZINC000581820094 569211767 /nfs/dbraw/zinc/21/17/67/569211767.db2.gz QNYWXVDXDADDDG-QHCPKHFHSA-N 1 1 449.661 2.804 50 0 IFAAMO CC(C)C[NH+]1CCN([C@@H]2CCOC3(CCN(S(=O)(=O)Cc4ccccc4)CC3)C2)CC1 ZINC000581820093 569211772 /nfs/dbraw/zinc/21/17/72/569211772.db2.gz QNYWXVDXDADDDG-HSZRJFAPSA-N 1 1 449.661 2.804 50 0 IFAAMO COc1ccc(C(=O)N2CCC3(CC2)C[C@@H](N2CC[NH+](CC(C)C)CC2)CCO3)cn1 ZINC000581820155 569211801 /nfs/dbraw/zinc/21/18/01/569211801.db2.gz VOPLVWGVFNSJAA-NRFANRHFSA-N 1 1 430.593 2.518 50 0 IFAAMO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccccc1Br ZINC000013037958 569307603 /nfs/dbraw/zinc/30/76/03/569307603.db2.gz FGYPYMKTRLRAIB-NEPJUHHUSA-N 1 1 426.336 2.774 50 0 IFAAMO C[C@@H]([NH2+][C@H](C)c1ccccc1Br)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000013037957 569307629 /nfs/dbraw/zinc/30/76/29/569307629.db2.gz FGYPYMKTRLRAIB-VXGBXAGGSA-N 1 1 426.336 2.774 50 0 IFAAMO Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000078879463 569319987 /nfs/dbraw/zinc/31/99/87/569319987.db2.gz WCOYACFNYRYJGS-UHFFFAOYSA-N 1 1 433.556 2.921 50 0 IFAAMO COc1ccc(NC(=O)[C@H](C)NC(=O)N2CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000079477380 569330743 /nfs/dbraw/zinc/33/07/43/569330743.db2.gz QESUCVCNEYNDKK-KRWDZBQOSA-N 1 1 426.517 2.558 50 0 IFAAMO O=C(CCNC(=O)c1ccc(F)cc1F)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000095348746 569361603 /nfs/dbraw/zinc/36/16/03/569361603.db2.gz GGTQXDOOJGDGKW-UHFFFAOYSA-N 1 1 438.478 2.977 50 0 IFAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)Cn1ncc2c(C)n(Cc3ccc(F)cc3)c(C)c2c1=O 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RRKCVSKNMKUKKW-AWEZNQCLSA-N 1 1 437.587 2.611 50 0 IFAAMO COc1ccc([C@@H](NC(=O)C[N@@H+]2CCC[C@H](C(=O)Nc3nncs3)C2)C(C)C)cc1 ZINC000040151468 569493301 /nfs/dbraw/zinc/49/33/01/569493301.db2.gz VHXJWKDCFUNQIT-LPHOPBHVSA-N 1 1 431.562 2.711 50 0 IFAAMO COc1ccc([C@@H](NC(=O)C[N@H+]2CCC[C@H](C(=O)Nc3nncs3)C2)C(C)C)cc1 ZINC000040151468 569493302 /nfs/dbraw/zinc/49/33/02/569493302.db2.gz VHXJWKDCFUNQIT-LPHOPBHVSA-N 1 1 431.562 2.711 50 0 IFAAMO CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000069291755 569499592 /nfs/dbraw/zinc/49/95/92/569499592.db2.gz DGLDEDDVDFSSPW-VQIMIIECSA-N 1 1 440.009 2.515 50 0 IFAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)Cn1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000009276368 569518426 /nfs/dbraw/zinc/51/84/26/569518426.db2.gz PWPBOUGOPBHFPP-LJQANCHMSA-N 1 1 446.617 2.807 50 0 IFAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(c2nnc(N3CCCC3=O)s2)CC1 ZINC000009287545 569519306 /nfs/dbraw/zinc/51/93/06/569519306.db2.gz FSQPVRBVZJWHLR-SFHVURJKSA-N 1 1 448.637 2.652 50 0 IFAAMO Cc1c(C(=O)NCC(F)(F)F)nnn1-c1cccc2c1CC[N@H+](Cc1cccnc1)C2 ZINC000069977082 569526656 /nfs/dbraw/zinc/52/66/56/569526656.db2.gz IFXGWVBKBOFCAZ-UHFFFAOYSA-N 1 1 430.434 2.821 50 0 IFAAMO Cc1c(C(=O)NCC(F)(F)F)nnn1-c1cccc2c1CC[N@@H+](Cc1cccnc1)C2 ZINC000069977082 569526657 /nfs/dbraw/zinc/52/66/57/569526657.db2.gz IFXGWVBKBOFCAZ-UHFFFAOYSA-N 1 1 430.434 2.821 50 0 IFAAMO O=C(C[NH+]1CCC(C(=O)N2CCCCCC2)CC1)Nc1cc(Cl)ccc1-n1cncn1 ZINC000009414586 569532028 /nfs/dbraw/zinc/53/20/28/569532028.db2.gz IETDMNZIWQIGFX-UHFFFAOYSA-N 1 1 444.967 2.974 50 0 IFAAMO O=C(C[N@H+]1CCC[C@H]1c1cccs1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000009417674 569532446 /nfs/dbraw/zinc/53/24/46/569532446.db2.gz LVTPXFPJIWLDEE-SFHVURJKSA-N 1 1 437.562 2.557 50 0 IFAAMO O=C(C[N@H+]1CCC[C@@H]1c1cccs1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000009766636 569566872 /nfs/dbraw/zinc/56/68/72/569566872.db2.gz NKFPTUPIGVBLKN-LJQANCHMSA-N 1 1 433.599 2.559 50 0 IFAAMO C[C@@H](C(=O)NCCN1C(=O)CSC1=O)[NH+]1CCC(c2nc3ccccc3s2)CC1 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556437870 /nfs/dbraw/zinc/43/78/70/556437870.db2.gz BBNQKFREYRNHNM-SVFBPWRDSA-N 1 1 443.636 2.570 50 0 IFAAMO COc1ccc(C[N@H+](C)CC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)cc1 ZINC000013058817 556449816 /nfs/dbraw/zinc/44/98/16/556449816.db2.gz CIZFFBNPKBCLIQ-UHFFFAOYSA-N 1 1 425.938 2.669 50 0 IFAAMO COc1ccc(C[N@@H+](C)CC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)cc1 ZINC000013058817 556449819 /nfs/dbraw/zinc/44/98/19/556449819.db2.gz CIZFFBNPKBCLIQ-UHFFFAOYSA-N 1 1 425.938 2.669 50 0 IFAAMO COc1ccc(/C=C/C[N@@H+]2CCc3nnc(CNC(=O)c4cccc(F)c4)n3CC2)cc1 ZINC000014883802 556454751 /nfs/dbraw/zinc/45/47/51/556454751.db2.gz LVVGLZSXCMBCMT-ONEGZZNKSA-N 1 1 435.503 2.927 50 0 IFAAMO O=C(c1cn([C@H]2CCC[N@@H+](C3CCN(CCc4ccccc4)CC3)C2)nn1)N1CCCC1 ZINC000014990946 556475054 /nfs/dbraw/zinc/47/50/54/556475054.db2.gz KDXYJWDBCVIYHJ-QHCPKHFHSA-N 1 1 436.604 2.858 50 0 IFAAMO O=C(c1cn([C@H]2CCC[N@H+](C3CCN(CCc4ccccc4)CC3)C2)nn1)N1CCCC1 ZINC000014990946 556475058 /nfs/dbraw/zinc/47/50/58/556475058.db2.gz 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CCc1ccc(N2C[C@@H](C(=O)N3CC[NH+](CCCOCC(F)(F)F)CC3)CC2=O)cc1 ZINC000060100851 556515808 /nfs/dbraw/zinc/51/58/08/556515808.db2.gz JYJQSFBWZNAHTN-SFHVURJKSA-N 1 1 441.494 2.715 50 0 IFAAMO Cc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCCCC4)nc(C)[nH+]3)CC2)cc1C ZINC000015671279 556542193 /nfs/dbraw/zinc/54/21/93/556542193.db2.gz OIDOOGFLOQVGRU-UHFFFAOYSA-N 1 1 429.590 2.903 50 0 IFAAMO Cc1nc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc(N2CCOCC2)[nH+]1 ZINC000015671208 556542343 /nfs/dbraw/zinc/54/23/43/556542343.db2.gz QQIRMFVWWNDGFZ-UHFFFAOYSA-N 1 1 435.450 2.603 50 0 IFAAMO O[C@H](COc1c(F)cc(Br)cc1F)C[NH+]1CCN(c2ccccn2)CC1 ZINC000015724548 556545709 /nfs/dbraw/zinc/54/57/09/556545709.db2.gz QVUWGZAONKROAU-AWEZNQCLSA-N 1 1 428.277 2.684 50 0 IFAAMO CC[N@@H+](CC(=O)NCc1ccc(S(N)(=O)=O)cc1)[C@H](Cc1ccc(C)cc1)C1CC1 ZINC000072305220 556550637 /nfs/dbraw/zinc/55/06/37/556550637.db2.gz WUCWAHDFYDVXDH-JOCHJYFZSA-N 1 1 429.586 2.602 50 0 IFAAMO C[C@@H]1CN(c2cc(C(=O)NCc3ccccc3C[N@H+]3C[C@@H](C)O[C@@H](C)C3)ccn2)CCO1 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556690807 /nfs/dbraw/zinc/69/08/07/556690807.db2.gz RMUNWQPYCXCXOC-MSZDEVHKSA-N 1 1 443.503 2.735 50 0 IFAAMO Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NC[C@@H]3CCC[N@H+]3C3CCCCC3)C2=O)cc1 ZINC000252510531 556691534 /nfs/dbraw/zinc/69/15/34/556691534.db2.gz ZMXUHZICUKVDSH-RDPSFJRHSA-N 1 1 426.561 2.675 50 0 IFAAMO CN(C)S(=O)(=O)c1cc(NC(=O)C[N@H+](C)CCOc2ccccc2)ccc1Cl ZINC000013683088 556711024 /nfs/dbraw/zinc/71/10/24/556711024.db2.gz BUYXWVGFLHAGIJ-UHFFFAOYSA-N 1 1 425.938 2.540 50 0 IFAAMO CN(C)S(=O)(=O)c1cc(NC(=O)C[N@@H+](C)CCOc2ccccc2)ccc1Cl ZINC000013683088 556711026 /nfs/dbraw/zinc/71/10/26/556711026.db2.gz BUYXWVGFLHAGIJ-UHFFFAOYSA-N 1 1 425.938 2.540 50 0 IFAAMO COc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)Cc3cn4ccsc4n3)C2)CC1 ZINC000055100093 556734671 /nfs/dbraw/zinc/73/46/71/556734671.db2.gz DAHPYPBXFHVYPC-LJQANCHMSA-N 1 1 439.585 2.760 50 0 IFAAMO COCc1c(C(=O)N2CC[NH+](C(C)C)CC2)cnn1-c1ncc2c(n1)-c1ccccc1CC2 ZINC000055308628 556739683 /nfs/dbraw/zinc/73/96/83/556739683.db2.gz UQTYNPIPNPYWAD-UHFFFAOYSA-N 1 1 446.555 2.741 50 0 IFAAMO CCC[NH+](CCC)CCCNC(=O)c1sc2ncnc(N3CCN(C)CC3)c2c1C ZINC000033048232 556744156 /nfs/dbraw/zinc/74/41/56/556744156.db2.gz QOHVVLNHXFSJQM-UHFFFAOYSA-N 1 1 432.638 2.993 50 0 IFAAMO [NH2+]=C1Nc2nc3cc4c(cc3n2[C@@H](c2ccc(O)c(Br)c2)N1)OCCCO4 ZINC000019354123 556745014 /nfs/dbraw/zinc/74/50/14/556745014.db2.gz FNAJAHKXMAKNQM-INIZCTEOSA-N 1 1 430.262 2.762 50 0 IFAAMO C[N@H+]1CCCN(c2ccc(NC(=O)NCc3ccnc(N4CCOCC4)c3)cc2F)CC1 ZINC000058100677 556757905 /nfs/dbraw/zinc/75/79/05/556757905.db2.gz KAVNMKGZAKLHAY-UHFFFAOYSA-N 1 1 442.539 2.521 50 0 IFAAMO C[N@H+]1CCCN(c2ccc(NC(=O)NCCCNC(=O)c3cccc(O)c3)cc2F)CC1 ZINC000058177645 556769763 /nfs/dbraw/zinc/76/97/63/556769763.db2.gz GGJGDXPKFBTDPX-UHFFFAOYSA-N 1 1 443.523 2.615 50 0 IFAAMO O=C(CN(CCC[NH+]1CCOCC1)CC(=O)Nc1ccc(F)cc1)Nc1ccc(F)cc1 ZINC000058432614 556787902 /nfs/dbraw/zinc/78/79/02/556787902.db2.gz XIJBACZJJXWKFF-UHFFFAOYSA-N 1 1 446.498 2.566 50 0 IFAAMO CCCn1c2ccccc2n(CCC(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)c1=O ZINC000059935752 556805393 /nfs/dbraw/zinc/80/53/93/556805393.db2.gz VWNJLLNLHXFOAX-JOCHJYFZSA-N 1 1 449.555 2.692 50 0 IFAAMO CCCn1c2ccccc2n(CCC(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)c1=O ZINC000059935752 556805397 /nfs/dbraw/zinc/80/53/97/556805397.db2.gz VWNJLLNLHXFOAX-JOCHJYFZSA-N 1 1 449.555 2.692 50 0 IFAAMO C/C(=C\c1ccco1)C[N@@H+]1CCc2nnc(CCNC(=O)Cc3ccc(F)cc3)n2CC1 ZINC000064002414 556822509 /nfs/dbraw/zinc/82/25/09/556822509.db2.gz WQIIDCPHGNCXEX-OBGWFSINSA-N 1 1 437.519 2.873 50 0 IFAAMO Cc1nc(N2CCCCC2)cc(N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)[nH+]1 ZINC000065362677 556834579 /nfs/dbraw/zinc/83/45/79/556834579.db2.gz XZCPTZIIYKWVBK-UHFFFAOYSA-N 1 1 437.516 2.564 50 0 IFAAMO CCn1nc(C)c(CNC(=O)c2coc(CN3CC[NH+](Cc4ccccc4)CC3)n2)c1C ZINC000019635230 556834735 /nfs/dbraw/zinc/83/47/35/556834735.db2.gz OFMOGASJRFJZGP-UHFFFAOYSA-N 1 1 436.560 2.756 50 0 IFAAMO CCNc1cc(N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)[nH+]c(C)n1 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436.556 2.917 50 0 IFAAMO O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000021329547 526712976 /nfs/dbraw/zinc/71/29/76/526712976.db2.gz WZCCGBGUVOKRAO-UHFFFAOYSA-N 1 1 446.551 2.785 50 0 IFAAMO Cc1sc2nc(C[NH+]3CCC(C)CC3)nc(NCCCNS(C)(=O)=O)c2c1C ZINC000036730611 526890651 /nfs/dbraw/zinc/89/06/51/526890651.db2.gz ALEYEODMPYSMNU-UHFFFAOYSA-N 1 1 425.624 2.891 50 0 IFAAMO Cn1cc(/C=C/C(=O)N2CCC[C@@H](CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)cn1 ZINC000020775526 527142515 /nfs/dbraw/zinc/14/25/15/527142515.db2.gz HJRCZXCKCCVNRX-XDQZKXAQSA-N 1 1 449.599 2.797 50 0 IFAAMO O=C(NCCC[NH+]1CCOCC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCSC[C@H]12 ZINC000035907891 527672235 /nfs/dbraw/zinc/67/22/35/527672235.db2.gz MSFHIFDTGPGSFL-PKOBYXMFSA-N 1 1 443.535 2.638 50 0 IFAAMO C[NH+](C)[C@@H](CNC(=O)C1=NN(c2c(F)c(F)cc(F)c2F)C(=O)CC1)c1ccco1 ZINC000009767931 536127051 /nfs/dbraw/zinc/12/70/51/536127051.db2.gz XURFDUIKGGOEQY-ZDUSSCGKSA-N 1 1 426.370 2.738 50 0 IFAAMO 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ZINC000034911885 555924969 /nfs/dbraw/zinc/92/49/69/555924969.db2.gz SDNYRDKMNQOXLH-UHFFFAOYSA-N 1 1 433.556 2.813 50 0 IFAAMO CC[NH+]1CCN(C(=O)[C@@H]2COC3(CCC(C)CC3)N2C(=O)c2cccc(OC)c2)CC1 ZINC000034921083 555931470 /nfs/dbraw/zinc/93/14/70/555931470.db2.gz IGRWYZRWXUHDOD-VZQLXNMESA-N 1 1 429.561 2.607 50 0 IFAAMO NC(=O)C1([NH+]2CCCCC2)CCN(S(=O)(=O)c2cc(Cl)sc2Cl)CC1 ZINC000006156838 556078568 /nfs/dbraw/zinc/07/85/68/556078568.db2.gz FQLKXOKPFIFOSA-UHFFFAOYSA-N 1 1 426.391 2.549 50 0 IFAAMO COc1ccc(C)cc1C[NH+]1CCN(CN2C(=O)NC3(C2=O)[C@H](C)CCC[C@H]3C)CC1 ZINC000097601708 556274884 /nfs/dbraw/zinc/27/48/84/556274884.db2.gz XDFPZLPFHSBSES-RTBURBONSA-N 1 1 428.577 2.825 50 0 IFAAMO COc1ccc(CN(Cc2ccco2)C(=S)NCCC[NH+]2CCOCC2)cc1OC ZINC000013690681 556280068 /nfs/dbraw/zinc/28/00/68/556280068.db2.gz JSIDLDKYECARDC-UHFFFAOYSA-N 1 1 433.574 2.896 50 0 IFAAMO COC(=O)c1ccc(N2C(=O)C[C@H]([NH+]3CCC(c4nc5ccccc5[nH]4)CC3)C2=O)cc1 ZINC000009763268 556308651 /nfs/dbraw/zinc/30/86/51/556308651.db2.gz ZKKZXKNJTVJOEQ-FQEVSTJZSA-N 1 1 432.480 2.861 50 0 IFAAMO COc1ccc(CN2CCN(c3ccccc3)C(=O)C2)cc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000011873062 556369364 /nfs/dbraw/zinc/36/93/64/556369364.db2.gz ZSZVISHQZLECAT-JOCHJYFZSA-N 1 1 441.572 2.624 50 0 IFAAMO COCCC(=O)N[C@H](C)c1nnc2n1CC[N@H+](Cc1cnc(-c3ccccc3)s1)CC2 ZINC000011882332 556373716 /nfs/dbraw/zinc/37/37/16/556373716.db2.gz QMTYMBCWQGKURV-MRXNPFEDSA-N 1 1 440.573 2.674 50 0 IFAAMO O=C(CN1CCN(Cc2nc3ccccc3s2)CC1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000022930045 556403529 /nfs/dbraw/zinc/40/35/29/556403529.db2.gz IAHYMBCICRECRE-NRFANRHFSA-N 1 1 449.624 2.805 50 0 IFAAMO COc1ccc([C@@H]2N(C(=O)C[NH+]3CCCC3)CCCN2S(=O)(=O)c2ccccc2)cc1 ZINC000012420632 556404316 /nfs/dbraw/zinc/40/43/16/556404316.db2.gz NPGSJLDIAVZVJF-HSZRJFAPSA-N 1 1 443.569 2.713 50 0 IFAAMO CCCCn1c2ccc(S(=O)(=O)N(CC)CC)cc2nc1C[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000032836041 556418191 /nfs/dbraw/zinc/41/81/91/556418191.db2.gz QMSVLIUFCJGZPQ-QGZVFWFLSA-N 1 1 449.621 2.564 50 0 IFAAMO CCCCn1c2ccc(S(=O)(=O)N(CC)CC)cc2nc1C[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000032836041 556418194 /nfs/dbraw/zinc/41/81/94/556418194.db2.gz QMSVLIUFCJGZPQ-QGZVFWFLSA-N 1 1 449.621 2.564 50 0 IFAAMO C[C@H](NC(=O)c1nn(CCO)c2c1C[N@H+](Cc1ccc3c(c1)CCO3)CC2)c1ccccc1 ZINC000014532672 556421301 /nfs/dbraw/zinc/42/13/01/556421301.db2.gz NKUSLXJXJNSOEY-SFHVURJKSA-N 1 1 446.551 2.860 50 0 IFAAMO C[C@H](NC(=O)c1nn(CCO)c2c1C[N@@H+](Cc1ccc3c(c1)CCO3)CC2)c1ccccc1 ZINC000014532672 556421304 /nfs/dbraw/zinc/42/13/04/556421304.db2.gz NKUSLXJXJNSOEY-SFHVURJKSA-N 1 1 446.551 2.860 50 0 IFAAMO CC(C)CNc1cc(C(=O)NC[C@H]2CCC[N@@H+](C)C2)cc(S(=O)(=O)NC(C)(C)C)c1 ZINC000014732274 556437225 /nfs/dbraw/zinc/43/72/25/556437225.db2.gz UGXNBVNMMOLQDX-QGZVFWFLSA-N 1 1 438.638 2.903 50 0 IFAAMO CCCOc1c(Br)cc(C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)cc1OC ZINC000072272938 556445885 /nfs/dbraw/zinc/44/58/85/556445885.db2.gz RQXWKBYNOWRJHK-HNNXBMFYSA-N 1 1 442.398 2.860 50 0 IFAAMO CCCOc1c(Br)cc(C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)cc1OC ZINC000072272937 556445987 /nfs/dbraw/zinc/44/59/87/556445987.db2.gz RQXWKBYNOWRJHK-OAHLLOKOSA-N 1 1 442.398 2.860 50 0 IFAAMO C[N@H+](CCOc1ccc(Br)cc1)CC(=O)NC(=O)NCc1cccs1 ZINC000014926399 556459079 /nfs/dbraw/zinc/45/90/79/556459079.db2.gz ONRZVLIIGHLKLX-UHFFFAOYSA-N 1 1 426.336 2.847 50 0 IFAAMO C[N@@H+](CCOc1ccc(Br)cc1)CC(=O)NC(=O)NCc1cccs1 ZINC000014926399 556459081 /nfs/dbraw/zinc/45/90/81/556459081.db2.gz ONRZVLIIGHLKLX-UHFFFAOYSA-N 1 1 426.336 2.847 50 0 IFAAMO O=C1C[C@H]([N@@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)C(=O)N1Cc1ccccc1 ZINC000028741785 556460207 /nfs/dbraw/zinc/46/02/07/556460207.db2.gz SENLKCNRBXNDDM-SFHVURJKSA-N 1 1 432.446 2.940 50 0 IFAAMO O=C1C[C@H]([N@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)C(=O)N1Cc1ccccc1 ZINC000028741785 556460210 /nfs/dbraw/zinc/46/02/10/556460210.db2.gz SENLKCNRBXNDDM-SFHVURJKSA-N 1 1 432.446 2.940 50 0 IFAAMO CCC[NH+]1CCN(C(=O)[C@@H]2Cc3nc(NC(=O)c4cccs4)sc3C(=O)C2)CC1 ZINC000014987806 556473385 /nfs/dbraw/zinc/47/33/85/556473385.db2.gz CSDRDMCVWHHVSS-CYBMUJFWSA-N 1 1 432.571 2.756 50 0 IFAAMO O=S(=O)(c1ccc(Nc2ccc3c(c2)[nH+]c2n3CCCCC2)nc1)N1CCOCC1 ZINC000015115094 556504977 /nfs/dbraw/zinc/50/49/77/556504977.db2.gz VVMMJUAJMLEXTM-UHFFFAOYSA-N 1 1 427.530 2.922 50 0 IFAAMO Cn1c2ccccc2nc(N2CCC(C(=O)NCCC[N@@H+](C)C3CCCCC3)CC2)c1=O ZINC000064873857 556507581 /nfs/dbraw/zinc/50/75/81/556507581.db2.gz BMCPGAIDCJYWSE-UHFFFAOYSA-N 1 1 439.604 2.921 50 0 IFAAMO COCCC[N@H+]1CCCN([C@H](C)C(=O)Nc2cccc(I)c2)CC1 ZINC000072308504 556565315 /nfs/dbraw/zinc/56/53/15/556565315.db2.gz SQHUZJQTFZSKCA-OAHLLOKOSA-N 1 1 445.345 2.662 50 0 IFAAMO CCn1c2ccc(C(=O)NC[C@H](c3ccccc3Cl)[NH+]3CCCC3)cc2[nH]c(=O)c1=O ZINC000032988524 556608774 /nfs/dbraw/zinc/60/87/74/556608774.db2.gz FFVXQYGYDNDAJF-HXUWFJFHSA-N 1 1 440.931 2.930 50 0 IFAAMO O=C1C[C@@H](N2CC[NH+](Cc3ccccc3)CC2)C(=O)N1c1ccc(Br)cc1 ZINC000022972200 556610988 /nfs/dbraw/zinc/61/09/88/556610988.db2.gz MOWVSZAFYOSXCY-LJQANCHMSA-N 1 1 428.330 2.899 50 0 IFAAMO COCCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000409414598 556639815 /nfs/dbraw/zinc/63/98/15/556639815.db2.gz NEUDBCYODBUKHN-JAXLGGSGSA-N 1 1 431.577 2.758 50 0 IFAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)c1cc(-c2c(C)nn(C)c2C)n[nH]1 ZINC000409413040 556640134 /nfs/dbraw/zinc/64/01/34/556640134.db2.gz AHHVMYRUENLJJI-RXVVDRJESA-N 1 1 428.581 2.780 50 0 IFAAMO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)c1cc(-c2c(C)nn(C)c2C)[nH]n1 ZINC000409413040 556640136 /nfs/dbraw/zinc/64/01/36/556640136.db2.gz AHHVMYRUENLJJI-RXVVDRJESA-N 1 1 428.581 2.780 50 0 IFAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)c1cc(-c2c(C)nn(C)c2C)[nH]n1 ZINC000409413040 556640140 /nfs/dbraw/zinc/64/01/40/556640140.db2.gz AHHVMYRUENLJJI-RXVVDRJESA-N 1 1 428.581 2.780 50 0 IFAAMO CCOc1ccc([C@H](CNS(=O)(=O)c2ccc3c(c2)OCCO3)[NH+]2CCCC2)cc1 ZINC000011999593 556679876 /nfs/dbraw/zinc/67/98/76/556679876.db2.gz ZIHPQXYMCLQXHK-FQEVSTJZSA-N 1 1 432.542 2.972 50 0 IFAAMO Cc1sc2nc(CN3CCOCC3)nc(N3CCC[C@H]3C[N@H+]3CCC[C@@H]3CO)c2c1C ZINC000072313866 556694545 /nfs/dbraw/zinc/69/45/45/556694545.db2.gz WKNMYJDJDRXGTD-RBUKOAKNSA-N 1 1 445.633 2.566 50 0 IFAAMO COCCN(C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1)C(=O)c1cc2ncccn2n1 ZINC000019144612 556706744 /nfs/dbraw/zinc/70/67/44/556706744.db2.gz SFPZJOCIZLPZDT-LJQANCHMSA-N 1 1 433.556 2.697 50 0 IFAAMO O=C(Cc1cccc(F)c1)NCc1nnc2n1CC[N@H+](Cc1cccc3cccnc31)CC2 ZINC000019229549 556717985 /nfs/dbraw/zinc/71/79/85/556717985.db2.gz LSPAPBFQSRHODV-UHFFFAOYSA-N 1 1 444.514 2.883 50 0 IFAAMO COc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)c3cc(C(C)C)nc(N)n3)C2)CC1 ZINC000055166594 556736510 /nfs/dbraw/zinc/73/65/10/556736510.db2.gz NHKPOXNTKQTDLM-GOSISDBHSA-N 1 1 438.576 2.618 50 0 IFAAMO Cc1c(C(=O)N2CCC([N@@H+](C)C(C)C)CC2)sc2ncnc(N3CCN(C)CC3)c12 ZINC000033048306 556744313 /nfs/dbraw/zinc/74/43/13/556744313.db2.gz HYVDUWIMRPTZCH-UHFFFAOYSA-N 1 1 430.622 2.696 50 0 IFAAMO Cc1c(C(=O)N2CCC([N@H+](C)C(C)C)CC2)sc2ncnc(N3CCN(C)CC3)c12 ZINC000033048306 556744315 /nfs/dbraw/zinc/74/43/15/556744315.db2.gz HYVDUWIMRPTZCH-UHFFFAOYSA-N 1 1 430.622 2.696 50 0 IFAAMO C[C@@H]1C[N@H+](C2CCN(C(=O)[C@@H]3CCCN3C(=O)C34CC5CC(CC(C5)C3)C4)CC2)CCO1 ZINC000072013566 556747508 /nfs/dbraw/zinc/74/75/08/556747508.db2.gz PVWOENMPGHRDFU-MVBJRAQVSA-N 1 1 443.632 2.906 50 0 IFAAMO COc1ccc(NC(=O)NC[C@@H]([C@@H]2CCOC2)[NH+]2CCOCC2)cc1OC1CCCC1 ZINC000058175635 556769354 /nfs/dbraw/zinc/76/93/54/556769354.db2.gz KWRUZXOAEZMJFA-XLIONFOSSA-N 1 1 433.549 2.875 50 0 IFAAMO CCOC(=O)CCN(C[C@H]1CCC[N@H+]1CC)C(=O)CSc1ccc2c(c1)OCCO2 ZINC000058229454 556774067 /nfs/dbraw/zinc/77/40/67/556774067.db2.gz SGZZUVKLJNPPMB-QGZVFWFLSA-N 1 1 436.574 2.816 50 0 IFAAMO CC[NH+](CC)CC1CCN([C@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)CC1 ZINC000058296922 556778397 /nfs/dbraw/zinc/77/83/97/556778397.db2.gz LETBIPJPVKUOEO-CQSZACIVSA-N 1 1 428.499 2.601 50 0 IFAAMO CNS(=O)(=O)c1cccc(C(=O)N[C@@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)c1 ZINC000059332586 556797987 /nfs/dbraw/zinc/79/79/87/556797987.db2.gz WKDQTQJGMAYBJM-NRFANRHFSA-N 1 1 429.586 2.798 50 0 IFAAMO COC(=O)c1ccc(CNC(=O)[C@@H](C)N2CCC[N@H+](Cc3ccccc3F)CC2)cc1 ZINC000060378112 556807344 /nfs/dbraw/zinc/80/73/44/556807344.db2.gz LASWNUKUMMVAQT-GOSISDBHSA-N 1 1 427.520 2.825 50 0 IFAAMO COC(=O)c1ccc(CNC(=O)[C@@H](C)N2CCC[N@@H+](Cc3ccccc3F)CC2)cc1 ZINC000060378112 556807347 /nfs/dbraw/zinc/80/73/47/556807347.db2.gz LASWNUKUMMVAQT-GOSISDBHSA-N 1 1 427.520 2.825 50 0 IFAAMO COC(=O)c1ccc(CNC(=O)[C@@H](C)[N@@H+]2CCCN(Cc3ccccc3F)CC2)cc1 ZINC000060378112 556807352 /nfs/dbraw/zinc/80/73/52/556807352.db2.gz LASWNUKUMMVAQT-GOSISDBHSA-N 1 1 427.520 2.825 50 0 IFAAMO COC(=O)c1ccc(CNC(=O)[C@@H](C)[N@H+]2CCCN(Cc3ccccc3F)CC2)cc1 ZINC000060378112 556807354 /nfs/dbraw/zinc/80/73/54/556807354.db2.gz LASWNUKUMMVAQT-GOSISDBHSA-N 1 1 427.520 2.825 50 0 IFAAMO CCOc1ccc(CC(=O)N2CCC[N@@H+]([C@H]3CCN(Cc4ccccc4)C3=O)CC2)cc1 ZINC000097945169 556826394 /nfs/dbraw/zinc/82/63/94/556826394.db2.gz 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ZINC000065330092 569137061 /nfs/dbraw/zinc/13/70/61/569137061.db2.gz IDGKZVASFSSXDE-UHFFFAOYSA-N 1 1 444.535 2.899 50 0 IFAAMO Cn1ccnc1COc1ccc(C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C(N)=O)C3)cc2)cc1 ZINC000065604807 569140044 /nfs/dbraw/zinc/14/00/44/569140044.db2.gz PYBYPTCGFQKWOP-FQEVSTJZSA-N 1 1 447.539 2.949 50 0 IFAAMO COc1ccc(C(=O)N(C)CC[N@@H+](C)C2CC2)cc1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000170598371 569142293 /nfs/dbraw/zinc/14/22/93/569142293.db2.gz YTYHGMANRURMIF-IRXDYDNUSA-N 1 1 437.606 2.528 50 0 IFAAMO O=C(CN(C1CC1)S(=O)(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)Nc1ccc(F)c(F)c1 ZINC000089834897 569165341 /nfs/dbraw/zinc/16/53/41/569165341.db2.gz NEQWFULYNYFQCZ-IBGZPJMESA-N 1 1 449.523 2.972 50 0 IFAAMO O=C(NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1csc(I)c1 ZINC000089834868 569165350 /nfs/dbraw/zinc/16/53/50/569165350.db2.gz BWAAWVZMZQJGFK-CABCVRRESA-N 1 1 442.322 2.718 50 0 IFAAMO C[C@@H](O)C[N@@H+]1CCN(C(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)C[C@H]1C ZINC000089939152 569168200 /nfs/dbraw/zinc/16/82/00/569168200.db2.gz KMMNOWGASBKASI-ZIAGYGMSSA-N 1 1 448.917 2.884 50 0 IFAAMO C[C@@H](O)C[N@H+]1CCN(C(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)C[C@H]1C ZINC000089939152 569168201 /nfs/dbraw/zinc/16/82/01/569168201.db2.gz KMMNOWGASBKASI-ZIAGYGMSSA-N 1 1 448.917 2.884 50 0 IFAAMO CCN1C[C@@H](C[N@H+](C)C[C@H](O)COc2ccc(C(C)=O)cc2OC)Oc2ccccc21 ZINC000089977170 569169383 /nfs/dbraw/zinc/16/93/83/569169383.db2.gz QSGVEDDHVXAIEO-VQTJNVASSA-N 1 1 428.529 2.857 50 0 IFAAMO CCN1C[C@@H](C[N@@H+](C)C[C@H](O)COc2ccc(C(C)=O)cc2OC)Oc2ccccc21 ZINC000089977170 569169384 /nfs/dbraw/zinc/16/93/84/569169384.db2.gz QSGVEDDHVXAIEO-VQTJNVASSA-N 1 1 428.529 2.857 50 0 IFAAMO C[C@@H]1CN(c2ccc(NC(=O)NCCC[N@H+]3CCC[C@H]3C(=O)N(C)C)cc2F)C[C@H](C)O1 ZINC000252458402 569184414 /nfs/dbraw/zinc/18/44/14/569184414.db2.gz FLFBYGKGRXYZJP-FVJLSDCUSA-N 1 1 449.571 2.504 50 0 IFAAMO C[C@H](O)C[N@@H+]1CCN(C(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)C[C@H]1C ZINC000252477239 569185743 /nfs/dbraw/zinc/18/57/43/569185743.db2.gz KMMNOWGASBKASI-KGLIPLIRSA-N 1 1 448.917 2.884 50 0 IFAAMO C[C@H](O)C[N@H+]1CCN(C(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)C[C@H]1C ZINC000252477239 569185744 /nfs/dbraw/zinc/18/57/44/569185744.db2.gz KMMNOWGASBKASI-KGLIPLIRSA-N 1 1 448.917 2.884 50 0 IFAAMO C[N@H+](C[C@H](O)COc1ccc(Cl)cc1Br)[C@H]1CCC[C@@H]1S(C)(=O)=O ZINC000252675356 569210258 /nfs/dbraw/zinc/21/02/58/569210258.db2.gz TVOVFUMLBFCUFG-NOLJZWGESA-N 1 1 440.787 2.740 50 0 IFAAMO C[N@@H+](C[C@H](O)COc1ccc(Cl)cc1Br)[C@H]1CCC[C@@H]1S(C)(=O)=O ZINC000252675356 569210259 /nfs/dbraw/zinc/21/02/59/569210259.db2.gz TVOVFUMLBFCUFG-NOLJZWGESA-N 1 1 440.787 2.740 50 0 IFAAMO CC(C)C[NH+]1CCN([C@@H]2CCOC3(CCN(C(=O)COc4ccccc4)CC3)C2)CC1 ZINC000581820190 569211824 /nfs/dbraw/zinc/21/18/24/569211824.db2.gz XHYRVGUUVBWEFA-JOCHJYFZSA-N 1 1 429.605 2.879 50 0 IFAAMO COc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](C(=O)Nc4cc(C)on4)C3)n2)cc1OC ZINC000013367159 569314316 /nfs/dbraw/zinc/31/43/16/569314316.db2.gz VFTBRCDWOSYCBL-OAHLLOKOSA-N 1 1 427.461 2.901 50 0 IFAAMO COc1ccc(-c2noc(C[N@H+]3CCC[C@@H](C(=O)Nc4cc(C)on4)C3)n2)cc1OC ZINC000013367159 569314319 /nfs/dbraw/zinc/31/43/19/569314319.db2.gz VFTBRCDWOSYCBL-OAHLLOKOSA-N 1 1 427.461 2.901 50 0 IFAAMO O=C(CC[NH+]1CCN(CC(=O)N2CCCc3ccccc32)CC1)NCC1CCCCC1 ZINC000078802941 569319058 /nfs/dbraw/zinc/31/90/58/569319058.db2.gz OMAMQMMYSFHVAR-UHFFFAOYSA-N 1 1 426.605 2.670 50 0 IFAAMO COc1cc(NC2CC[NH+](CC(=O)NC(=O)N[C@H]3CCCC[C@H]3C)CC2)cc(OC)c1 ZINC000079025629 569322835 /nfs/dbraw/zinc/32/28/35/569322835.db2.gz OHIRDJRIRPLWGE-IERDGZPVSA-N 1 1 432.565 2.985 50 0 IFAAMO CCC(CC)[C@H](CNC(=O)c1ccc(CS(=O)(=O)C(F)F)cc1)[NH+]1CCOCC1 ZINC000079051543 569323426 /nfs/dbraw/zinc/32/34/26/569323426.db2.gz ISYUKOAQSKVSSN-SFHVURJKSA-N 1 1 432.533 2.691 50 0 IFAAMO COc1ccc(C[N@H+]2CC(=O)N(CCCN3CCCC3=O)C[C@H](OC)C2)c2ccccc12 ZINC000019939600 569332147 /nfs/dbraw/zinc/33/21/47/569332147.db2.gz GHFWHBNFJOMARG-HXUWFJFHSA-N 1 1 439.556 2.520 50 0 IFAAMO COc1ccc(C[N@@H+]2CC(=O)N(CCCN3CCCC3=O)C[C@H](OC)C2)c2ccccc12 ZINC000019939600 569332148 /nfs/dbraw/zinc/33/21/48/569332148.db2.gz GHFWHBNFJOMARG-HXUWFJFHSA-N 1 1 439.556 2.520 50 0 IFAAMO Cc1c(NC(=O)NCCC[NH+]2CCOCC2)sc2nc3n(c(=O)c12)CC[C@H](C)CC3 ZINC000020385525 569362971 /nfs/dbraw/zinc/36/29/71/569362971.db2.gz OVTVJQRGPAZMHO-CQSZACIVSA-N 1 1 433.578 2.583 50 0 IFAAMO COc1cccc(NC(=O)CN(C2CC2)S(=O)(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000095431833 569366271 /nfs/dbraw/zinc/36/62/71/569366271.db2.gz WDPYJDUQMFLYPJ-QFIPXVFZSA-N 1 1 443.569 2.702 50 0 IFAAMO O=C(CN(C1CC1)S(=O)(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)Nc1cccc(F)c1 ZINC000095431834 569366353 /nfs/dbraw/zinc/36/63/53/569366353.db2.gz CWSMNEYLLHLNEW-NRFANRHFSA-N 1 1 431.533 2.833 50 0 IFAAMO Cc1cccc(N2CCN(CC[N@@H+](CC(=O)Nc3ccccc3C(N)=O)CC3CC3)CC2)c1 ZINC000095456045 569368718 /nfs/dbraw/zinc/36/87/18/569368718.db2.gz CTGBEMAWMGWCGB-UHFFFAOYSA-N 1 1 449.599 2.567 50 0 IFAAMO Cc1cccc(N2CCN(CC[N@H+](CC(=O)Nc3ccccc3C(N)=O)CC3CC3)CC2)c1 ZINC000095456045 569368719 /nfs/dbraw/zinc/36/87/19/569368719.db2.gz CTGBEMAWMGWCGB-UHFFFAOYSA-N 1 1 449.599 2.567 50 0 IFAAMO Cc1cccc(N2CC[NH+](CCN(CC(=O)Nc3ccccc3C(N)=O)CC3CC3)CC2)c1 ZINC000095456045 569368720 /nfs/dbraw/zinc/36/87/20/569368720.db2.gz CTGBEMAWMGWCGB-UHFFFAOYSA-N 1 1 449.599 2.567 50 0 IFAAMO O=C([C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000095459230 569369384 /nfs/dbraw/zinc/36/93/84/569369384.db2.gz BCZWGPYRCXINJL-RBUKOAKNSA-N 1 1 435.446 2.981 50 0 IFAAMO O=C([C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000095459230 569369386 /nfs/dbraw/zinc/36/93/86/569369386.db2.gz BCZWGPYRCXINJL-RBUKOAKNSA-N 1 1 435.446 2.981 50 0 IFAAMO CC(=O)c1cc2c(cc1NC(=O)[C@@H]1C[C@H]3CCC[N@@H+]3[C@]13c1ccccc1NC3=O)OCO2 ZINC000020513303 569370318 /nfs/dbraw/zinc/37/03/18/569370318.db2.gz LXBLBBMTEWXEOZ-DJJPGOOVSA-N 1 1 433.464 2.888 50 0 IFAAMO CC(=O)c1cc2c(cc1NC(=O)[C@@H]1C[C@H]3CCC[N@H+]3[C@]13c1ccccc1NC3=O)OCO2 ZINC000020513303 569370319 /nfs/dbraw/zinc/37/03/19/569370319.db2.gz LXBLBBMTEWXEOZ-DJJPGOOVSA-N 1 1 433.464 2.888 50 0 IFAAMO CC[NH+](CC)CCNC(=O)CCCn1c(=O)c2cc(Br)ccc2[nH]c1=S ZINC000020644187 569374882 /nfs/dbraw/zinc/37/48/82/569374882.db2.gz CHEAHOBEUSXKFB-UHFFFAOYSA-N 1 1 441.395 2.686 50 0 IFAAMO COC(=O)c1cn(C2CC[NH+](Cc3ccc(OC)c(OC)c3Br)CC2)nn1 ZINC000095940225 569375252 /nfs/dbraw/zinc/37/52/52/569375252.db2.gz FJNKZLRAHCSVHZ-UHFFFAOYSA-N 1 1 439.310 2.682 50 0 IFAAMO CCCC[NH+]1CCN(C(=O)c2nc3nc(C)cc(C)c3c(N3CCSCC3)n2)CC1 ZINC000096396813 569399224 /nfs/dbraw/zinc/39/92/24/569399224.db2.gz XBIRWVSLUTYPFD-UHFFFAOYSA-N 1 1 428.606 2.753 50 0 IFAAMO Cc1nn(CC(=O)NCC[N@@H+]2CCCC[C@H]2C)c(=O)c2nc(-c3ccccc3)sc21 ZINC000096400181 569400344 /nfs/dbraw/zinc/40/03/44/569400344.db2.gz AOOLEIAQZGOAGI-OAHLLOKOSA-N 1 1 425.558 2.819 50 0 IFAAMO COc1cc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)cc(Cl)c1OCC(N)=O ZINC000029050377 569425106 /nfs/dbraw/zinc/42/51/06/569425106.db2.gz IIRHQKBBOLQDHG-INIZCTEOSA-N 1 1 440.327 2.899 50 0 IFAAMO CC(=O)c1cc2c(cc1NC(=O)[C@@H]1C[C@H]3CCC[N@@H+]3[C@@]13c1ccccc1NC3=O)OCO2 ZINC000057992201 569444267 /nfs/dbraw/zinc/44/42/67/569444267.db2.gz LXBLBBMTEWXEOZ-DOLBFCBYSA-N 1 1 433.464 2.888 50 0 IFAAMO CC(=O)c1cc2c(cc1NC(=O)[C@@H]1C[C@H]3CCC[N@H+]3[C@@]13c1ccccc1NC3=O)OCO2 ZINC000057992201 569444268 /nfs/dbraw/zinc/44/42/68/569444268.db2.gz LXBLBBMTEWXEOZ-DOLBFCBYSA-N 1 1 433.464 2.888 50 0 IFAAMO COc1ccc(-c2noc(C[NH+]3CCC(C(=O)NCc4cccnc4)CC3)n2)cc1OC ZINC000030981368 569452076 /nfs/dbraw/zinc/45/20/76/569452076.db2.gz BDIYHPODCSNKKY-UHFFFAOYSA-N 1 1 437.500 2.677 50 0 IFAAMO Cc1ncc(C(=O)N[C@H]2C3CN4CC2(c2ccccc2)C[N@@H+](C3)CC4)c(-c2ccccc2)n1 ZINC000670455614 569458103 /nfs/dbraw/zinc/45/81/03/569458103.db2.gz SHTPSZHKLBANIM-PIFVYSLYSA-N 1 1 439.563 2.749 50 0 IFAAMO CCN(CC)S(=O)(=O)c1ccc(C(=O)NCCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000032398981 569461543 /nfs/dbraw/zinc/46/15/43/569461543.db2.gz JHUUHBHIXJWPJS-UHFFFAOYSA-N 1 1 429.586 2.895 50 0 IFAAMO Cc1nc(NCCNS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc(N2CCCC2)[nH+]1 ZINC000038670703 569466486 /nfs/dbraw/zinc/46/64/86/569466486.db2.gz FNYKYRUAJDOJNH-UHFFFAOYSA-N 1 1 429.468 2.794 50 0 IFAAMO C[C@H]1C[C@H](C)C[NH+](Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2c(F)cccc2Cl)C1 ZINC000008724509 569472040 /nfs/dbraw/zinc/47/20/40/569472040.db2.gz LRLXPRDKLZVGOU-KBPBESRZSA-N 1 1 447.942 2.752 50 0 IFAAMO C[C@@H](Sc1nc(N)cc(N)[nH+]1)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000008747235 569473085 /nfs/dbraw/zinc/47/30/85/569473085.db2.gz WDXHAQJTSKDKOY-SNVBAGLBSA-N 1 1 442.467 2.616 50 0 IFAAMO O=C(C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000008860735 569479904 /nfs/dbraw/zinc/47/99/04/569479904.db2.gz YZKAPQGQJHTUJW-INIZCTEOSA-N 1 1 425.441 2.672 50 0 IFAAMO O=C(C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000008860735 569479905 /nfs/dbraw/zinc/47/99/05/569479905.db2.gz YZKAPQGQJHTUJW-INIZCTEOSA-N 1 1 425.441 2.672 50 0 IFAAMO O=C(NC[C@H]([C@@H]1CCOC1)[NH+]1CCOCC1)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000040104498 569488153 /nfs/dbraw/zinc/48/81/53/569488153.db2.gz RYTGADQRTKMXAL-VQIMIIECSA-N 1 1 444.557 2.859 50 0 IFAAMO C[C@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC(C(=O)Nc2cnccn2)CC1 ZINC000040151451 569493267 /nfs/dbraw/zinc/49/32/67/569493267.db2.gz FTZHELBJDKQHTL-CYBMUJFWSA-N 1 1 432.322 2.917 50 0 IFAAMO CCCC[N@@H+](CC)CCNS(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O ZINC000040450184 569506299 /nfs/dbraw/zinc/50/62/99/569506299.db2.gz KHFZNMCZSIQHCQ-UHFFFAOYSA-N 1 1 446.411 2.758 50 0 IFAAMO COC(=O)c1cccc(OC[C@H](O)C[N@@H+](C)Cc2ccc(OC(F)F)c(OC)c2)c1 ZINC000009126571 569505001 /nfs/dbraw/zinc/50/50/01/569505001.db2.gz KCAGYINEGRRXAN-MRXNPFEDSA-N 1 1 425.428 2.955 50 0 IFAAMO C[NH+]1CCN(CCc2ccc(NC(=O)CCC(=O)N3CCc4sccc4C3)cc2)CC1 ZINC000069950301 569525300 /nfs/dbraw/zinc/52/53/00/569525300.db2.gz XPAPMYCPDKOWEV-UHFFFAOYSA-N 1 1 440.613 2.842 50 0 IFAAMO C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000009499234 569541448 /nfs/dbraw/zinc/54/14/48/569541448.db2.gz VLYWEHNYYXRTLJ-MRXNPFEDSA-N 1 1 436.512 2.807 50 0 IFAAMO O=C(C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1)Nc1ccc2c(c1)OCCCO2 ZINC000009499243 569541472 /nfs/dbraw/zinc/54/14/72/569541472.db2.gz NJZBSCFNWDLKOH-UHFFFAOYSA-N 1 1 425.485 2.843 50 0 IFAAMO Cc1ccccc1CN1[NH+]=C(C)Cn2c1nc1c2c(=O)n(Cc2ccccc2C)c(=O)n1C ZINC000009707506 569561527 /nfs/dbraw/zinc/56/15/27/569561527.db2.gz GSRBRLFVWACOTA-UHFFFAOYSA-N 1 1 442.523 2.958 50 0 IFAAMO CC1=[NH+]N(CCc2ccccc2)c2nc3c(c(=O)n(CCc4ccccc4)c(=O)n3C)n2C1 ZINC000009707514 569561557 /nfs/dbraw/zinc/56/15/57/569561557.db2.gz AZUNZYRSNVHJJV-UHFFFAOYSA-N 1 1 442.523 2.578 50 0 IFAAMO Cc1cccc(CN2[NH+]=C(C)Cn3c2nc2c3c(=O)n(Cc3cccc(C)c3)c(=O)n2C)c1 ZINC000009707507 569561578 /nfs/dbraw/zinc/56/15/78/569561578.db2.gz BKADKNAZPGLWIH-UHFFFAOYSA-N 1 1 442.523 2.958 50 0 IFAAMO COc1ccc([C@H]2CCCCC[N@H+]2CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000009789205 569568043 /nfs/dbraw/zinc/56/80/43/569568043.db2.gz SQTKFTOKFRMNTM-JOCHJYFZSA-N 1 1 445.585 2.619 50 0 IFAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)C2CCC2)CC1 ZINC000036256826 569588021 /nfs/dbraw/zinc/58/80/21/569588021.db2.gz XBALYMARXGXHFW-NFBKMPQASA-N 1 1 432.653 2.870 50 0 IFAAMO CC(C)[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1)Cc1ccccc1 ZINC000022134703 519635435 /nfs/dbraw/zinc/63/54/35/519635435.db2.gz HIVQIKNKQDUTBM-UHFFFAOYSA-N 1 1 433.549 2.569 50 0 IFAAMO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@@H](C(=O)N1CCCC1)c1ccccc1 ZINC000012797768 519731741 /nfs/dbraw/zinc/73/17/41/519731741.db2.gz ZLTCJATXZHCMRX-JOCHJYFZSA-N 1 1 429.586 2.968 50 0 IFAAMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C[C@@]1(c2cccc(F)c2)CC(=O)N(C2CCCC2)C1=O ZINC000020776938 519826504 /nfs/dbraw/zinc/82/65/04/519826504.db2.gz QVHKVOHANPLPCO-BWKNWUBXSA-N 1 1 443.563 2.954 50 0 IFAAMO CCC[NH+]1CCN(C(=O)c2cc3c(ccn(Cc4ccc(OC)cc4)c3=O)nc2C)CC1 ZINC000035426905 519856831 /nfs/dbraw/zinc/85/68/31/519856831.db2.gz HIESZDZIDJNEDT-UHFFFAOYSA-N 1 1 434.540 2.930 50 0 IFAAMO CCC[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CC[NH+](C)CC1 ZINC000012553151 520614764 /nfs/dbraw/zinc/61/47/64/520614764.db2.gz IIECIOCCTRPKRR-GOSISDBHSA-N 1 1 436.622 2.988 50 0 IFAAMO CCOc1cc(C[N@@H+]2CCc3nnc([C@H](C)NC(=O)c4ccco4)n3CC2)ccc1OC ZINC000020906231 520700099 /nfs/dbraw/zinc/70/00/99/520700099.db2.gz HBRGXOJXNGBYBE-INIZCTEOSA-N 1 1 439.516 2.828 50 0 IFAAMO CCOc1ccc(-c2noc(N3CCC(C(=O)N4CC[NH+](CC)CC4)CC3)n2)cc1OC ZINC000035375189 520829312 /nfs/dbraw/zinc/82/93/12/520829312.db2.gz LSQMMNFXELTCHY-UHFFFAOYSA-N 1 1 443.548 2.524 50 0 IFAAMO CCOC(=O)N1CCC(NC(=O)C2CC[NH+](Cc3nc(-c4ccccc4)no3)CC2)CC1 ZINC000040930125 520925922 /nfs/dbraw/zinc/92/59/22/520925922.db2.gz YLCBLZLDVIMRJK-UHFFFAOYSA-N 1 1 441.532 2.686 50 0 IFAAMO CCOC(=O)N1CCC(NC(=O)[C@@H]2CC23CC[NH+](Cc2nc4ccccc4[nH]2)CC3)CC1 ZINC000012242510 520928006 /nfs/dbraw/zinc/92/80/06/520928006.db2.gz WCSPZNREZLYODX-SFHVURJKSA-N 1 1 439.560 2.902 50 0 IFAAMO CCN1C(=O)N(CC)C(=O)C2(Cc3ccccc3N3CC[N@@H+](Cc4ccccc4)C[C@H]32)C1=O ZINC000035877177 521525066 /nfs/dbraw/zinc/52/50/66/521525066.db2.gz GRTDGWSJUICEMG-QFIPXVFZSA-N 1 1 446.551 2.751 50 0 IFAAMO CC[N@@H+]1CCC[C@@H]1CNCc1ccc(OC[C@H](O)c2ccc3c(c2)n(C)c(=O)n3C)cc1 ZINC000035805165 521639623 /nfs/dbraw/zinc/63/96/23/521639623.db2.gz NOXHOOQXZOITKA-YKSBVNFPSA-N 1 1 438.572 2.563 50 0 IFAAMO CC[N@H+]1CCC[C@@H]1CNCc1ccc(OC[C@H](O)c2ccc3c(c2)n(C)c(=O)n3C)cc1 ZINC000035805165 521639624 /nfs/dbraw/zinc/63/96/24/521639624.db2.gz NOXHOOQXZOITKA-YKSBVNFPSA-N 1 1 438.572 2.563 50 0 IFAAMO CC[NH+]1CCN(C(=O)C2CCN(c3nnc(C)c4c(C)n(-c5ccccc5)nc43)CC2)CC1 ZINC000020564237 521662348 /nfs/dbraw/zinc/66/23/48/521662348.db2.gz CPXFGJCRGMAPNK-UHFFFAOYSA-N 1 1 447.587 2.813 50 0 IFAAMO CC[NH+]1CCN(c2nc3ncn(CC(=O)Nc4ccc(C)c(Cl)c4)c(=O)c3s2)CC1 ZINC000021886454 521702021 /nfs/dbraw/zinc/70/20/21/521702021.db2.gz LWIBJBAOBWJSGF-UHFFFAOYSA-N 1 1 446.964 2.595 50 0 IFAAMO CN(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@@H](C(=O)N1CCCC1)c1ccccc1 ZINC000012692168 522437994 /nfs/dbraw/zinc/43/79/94/522437994.db2.gz FYFNBSLVIJIBJI-RUZDIDTESA-N 1 1 434.584 2.626 50 0 IFAAMO COc1cc(NC(=O)N2CCN(c3cc(N4CCCC4)nc(C)[nH+]3)CC2)cc(OC)c1 ZINC000021795860 522685216 /nfs/dbraw/zinc/68/52/16/522685216.db2.gz YAAGSNQKDFLBMJ-UHFFFAOYSA-N 1 1 426.521 2.757 50 0 IFAAMO C[N@@H+](CCCNC(=O)c1cc(-c2ccccc2)nc2c(C(N)=O)ncn21)Cc1ccccc1 ZINC000012520114 522765186 /nfs/dbraw/zinc/76/51/86/522765186.db2.gz QOLIXUGJQOKELV-UHFFFAOYSA-N 1 1 442.523 2.747 50 0 IFAAMO COc1cc(OC)c(OC)cc1C[N@H+]1CCCC[C@@H]1CCn1cc(C(=O)NC(C)C)nn1 ZINC000012190289 522820324 /nfs/dbraw/zinc/82/03/24/522820324.db2.gz OTJLIYQDVVVOQG-GOSISDBHSA-N 1 1 445.564 2.887 50 0 IFAAMO COC(=O)C1=C(C[NH2+]CCc2ccc(OC)c(OC)c2)NC(=O)N[C@H]1c1ccccc1C ZINC000012463039 522889141 /nfs/dbraw/zinc/88/91/41/522889141.db2.gz UYJQNANPEPPCGH-QFIPXVFZSA-N 1 1 439.512 2.626 50 0 IFAAMO COC(=O)C1CCN(C[C@@H](O)COc2ccc(C[NH2+]CCc3ccccc3)cc2)CC1 ZINC000012835381 522917094 /nfs/dbraw/zinc/91/70/94/522917094.db2.gz NJFYINIUYJUJSA-HSZRJFAPSA-N 1 1 426.557 2.644 50 0 IFAAMO COc1cc([C@H]2NC(=[NH2+])Nc3nc4cc5c(cc4n32)OCCCO5)cc(Cl)c1OC ZINC000012506771 522962371 /nfs/dbraw/zinc/96/23/71/522962371.db2.gz SMOPPHJSUJGHKL-SFHVURJKSA-N 1 1 429.864 2.965 50 0 IFAAMO CN(C[C@@H]1CCC[N@@H+](CCc2ccccc2F)C1)C(=O)c1ccc(Cn2cnnn2)cc1 ZINC000012439631 523045338 /nfs/dbraw/zinc/04/53/38/523045338.db2.gz ZNHWEYPVNUKNFX-FQEVSTJZSA-N 1 1 436.535 2.887 50 0 IFAAMO COc1ccc(-c2nc3c4c(C)c(C)n(CC[NH+]5CCOCC5)c4ncn3n2)cc1OC ZINC000020624236 523226481 /nfs/dbraw/zinc/22/64/81/523226481.db2.gz VYLMBGUWRAJAKC-UHFFFAOYSA-N 1 1 436.516 2.712 50 0 IFAAMO COc1ccc(-c2noc(C[NH+]3CCC(C(=O)NCCCOC(C)C)CC3)n2)cc1OC ZINC000021880554 523286214 /nfs/dbraw/zinc/28/62/14/523286214.db2.gz ZEKQSJAENUNBFX-UHFFFAOYSA-N 1 1 446.548 2.897 50 0 IFAAMO CN(Cc1cnn(C)c1)Cc1ccc(OC2CCN(C(=O)C3CC[NH+](C)CC3)CC2)cc1 ZINC000012454818 523514186 /nfs/dbraw/zinc/51/41/86/523514186.db2.gz QNIUFPFXKIEFFG-UHFFFAOYSA-N 1 1 439.604 2.764 50 0 IFAAMO COc1ccc(C(=O)NCCc2nnc3n2CC[N@@H+](Cc2ccc(F)c(F)c2)CC3)cc1 ZINC000012184093 523703299 /nfs/dbraw/zinc/70/32/99/523703299.db2.gz JHMNHGHMPMHWOA-UHFFFAOYSA-N 1 1 441.482 2.596 50 0 IFAAMO COc1ccc(C(=O)NCCc2nnc3n2CC[N@H+](Cc2ccc(F)c(F)c2)CC3)cc1 ZINC000012184093 523703305 /nfs/dbraw/zinc/70/33/05/523703305.db2.gz JHMNHGHMPMHWOA-UHFFFAOYSA-N 1 1 441.482 2.596 50 0 IFAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccccc1 ZINC000263585423 523732207 /nfs/dbraw/zinc/73/22/07/523732207.db2.gz IJUXQFRPWFPVRR-NXYDZRKXSA-N 1 1 427.589 2.946 50 0 IFAAMO C[NH+]1CCN(C(=O)c2cn(Cc3ccccc3)cc3c(=O)n(-c4ccccc4)nc2-3)CC1 ZINC000022714602 523882554 /nfs/dbraw/zinc/88/25/54/523882554.db2.gz IZAOCTDRFNYWHH-UHFFFAOYSA-N 1 1 427.508 2.575 50 0 IFAAMO CN1CC[NH+](CCCNC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)CC1 ZINC000020985621 523896182 /nfs/dbraw/zinc/89/61/82/523896182.db2.gz AWZLTJVQOIHIDK-UHFFFAOYSA-N 1 1 428.602 2.619 50 0 IFAAMO COc1ccc(C[N@@H+]2CCc3nnc(CNC(=O)c4c(F)cccc4F)n3CC2)cc1 ZINC000020451475 524039518 /nfs/dbraw/zinc/03/95/18/524039518.db2.gz WASWVGQVHMDEHR-UHFFFAOYSA-N 1 1 427.455 2.553 50 0 IFAAMO COc1ccc(C[N@@H+]2CCc3nnc([C@@H](C)NC(=O)C4CCOCC4)n3CC2)c(C)c1C ZINC000020919317 524039878 /nfs/dbraw/zinc/03/98/78/524039878.db2.gz CIBXVBQCDJQJMS-GOSISDBHSA-N 1 1 441.576 2.566 50 0 IFAAMO COc1ccc(CNCc2c(F)cccc2F)cc1OC[C@@H](O)CN1CCC[N@@H+](C)CC1 ZINC000020999364 524072304 /nfs/dbraw/zinc/07/23/04/524072304.db2.gz HZZZUUSWEOBDGY-IBGZPJMESA-N 1 1 449.542 2.640 50 0 IFAAMO COc1ccc(CNCc2c(F)cccc2F)cc1OC[C@@H](O)C[N@@H+]1CCCN(C)CC1 ZINC000020999364 524072305 /nfs/dbraw/zinc/07/23/05/524072305.db2.gz HZZZUUSWEOBDGY-IBGZPJMESA-N 1 1 449.542 2.640 50 0 IFAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc2n(n1)CCN(Cc1cccc(F)c1)C2=O ZINC000034811172 524103443 /nfs/dbraw/zinc/10/34/43/524103443.db2.gz FKFDHHAVBNTIKL-QGZVFWFLSA-N 1 1 427.524 2.673 50 0 IFAAMO COc1cccc([C@H]2NC(=[NH2+])Nc3nc4cc5c(cc4n32)OCCCO5)c1OC(F)F ZINC000012506912 524186976 /nfs/dbraw/zinc/18/69/76/524186976.db2.gz ZOFZPDZVWMXHTG-KRWDZBQOSA-N 1 1 431.399 2.904 50 0 IFAAMO COc1ccccc1CN1CCC[C@H](CN(CC[NH+](C)C)C(=O)C(=O)c2ccco2)C1 ZINC000012585077 524448944 /nfs/dbraw/zinc/44/89/44/524448944.db2.gz JWAQVEQNJQXDRD-IBGZPJMESA-N 1 1 427.545 2.773 50 0 IFAAMO COc1ccc(NC(=O)Cn2c(C)nc3c(c2=O)CC[N@H+](Cc2ccccc2)C3)c(OC)c1 ZINC000035456048 524527794 /nfs/dbraw/zinc/52/77/94/524527794.db2.gz IRDQPOQCJVXGDI-UHFFFAOYSA-N 1 1 448.523 2.766 50 0 IFAAMO COc1ccc(NC(=O)Cn2c(C)nc3c(c2=O)CC[N@@H+](Cc2ccccc2)C3)c(OC)c1 ZINC000035456048 524527801 /nfs/dbraw/zinc/52/78/01/524527801.db2.gz IRDQPOQCJVXGDI-UHFFFAOYSA-N 1 1 448.523 2.766 50 0 IFAAMO COc1ccc(NC(C)=O)cc1S(=O)(=O)N1c2ccc(C)cc2[C@H]2C[N@H+](C)CC[C@H]21 ZINC000013128452 524672939 /nfs/dbraw/zinc/67/29/39/524672939.db2.gz IIALHVOAKODKED-UYAOXDASSA-N 1 1 429.542 2.959 50 0 IFAAMO COc1ccc(OC[C@@H](O)C[NH+]2CCN(CCc3ccccn3)CC2)c(C(C)(C)C)c1 ZINC000022036408 524968957 /nfs/dbraw/zinc/96/89/57/524968957.db2.gz LPXORTHSAYOOQS-NRFANRHFSA-N 1 1 427.589 2.988 50 0 IFAAMO COc1ccc(OC[C@@H](O)CN2CC[NH+](CCc3ccccn3)CC2)c(C(C)(C)C)c1 ZINC000022036408 524968967 /nfs/dbraw/zinc/96/89/67/524968967.db2.gz LPXORTHSAYOOQS-NRFANRHFSA-N 1 1 427.589 2.988 50 0 IFAAMO COc1ccc(OC[C@H](O)C[NH+]2CCC(O)CC2)c(CNC2(c3ccccc3)CC2)c1 ZINC000012386672 524972118 /nfs/dbraw/zinc/97/21/18/524972118.db2.gz BIRUAVNBOGNHHB-JOCHJYFZSA-N 1 1 426.557 2.671 50 0 IFAAMO Cc1ccc(N2C[C@@H](C(=O)NCc3ccc(C[NH+]4CCOCC4)cc3)CC2=O)cc1F ZINC000012919502 524979928 /nfs/dbraw/zinc/97/99/28/524979928.db2.gz VHLMGWIXUUURSM-FQEVSTJZSA-N 1 1 425.504 2.636 50 0 IFAAMO Cc1ccc(NC(=O)CN2CCN(C(=O)C[N@H+]3CCC[C@H]3c3cccs3)CC2)cc1 ZINC000035361552 525053271 /nfs/dbraw/zinc/05/32/71/525053271.db2.gz CXRMBOXVDCGMIY-FQEVSTJZSA-N 1 1 426.586 2.976 50 0 IFAAMO Cc1ccc(C(=O)N(CC(=O)N2CCNCC2)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000021535062 526069889 /nfs/dbraw/zinc/06/98/89/526069889.db2.gz WMOQPSMDLGYCAI-UHFFFAOYSA-N 1 1 434.584 2.534 50 0 IFAAMO Oc1ccc(N2CCN(Cc3ccc(OC[C@H](O)C[NH+]4CCCCC4)cc3)CC2)cc1 ZINC000012441811 526351140 /nfs/dbraw/zinc/35/11/40/526351140.db2.gz AZGHXIJECIWEPV-XMMPIXPASA-N 1 1 425.573 2.940 50 0 IFAAMO O=C(CCCN1c2ccccc2Sc2ncccc2C1=O)NCCC[NH+]1CCOCC1 ZINC000020993542 526434244 /nfs/dbraw/zinc/43/42/44/526434244.db2.gz WQDIHCMCCBUZTR-UHFFFAOYSA-N 1 1 440.569 2.812 50 0 IFAAMO Cn1cc2c(=O)n(-c3ccccc3)nc-2c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000022714535 527327458 /nfs/dbraw/zinc/32/74/58/527327458.db2.gz LLXWHNRRCLDOLU-UHFFFAOYSA-N 1 1 427.508 2.634 50 0 IFAAMO O=c1ccc2cc(S(=O)(=O)N3CCC[C@@H](C[N@H+]4CCc5ccccc5C4)C3)ccc2[nH]1 ZINC000021113504 527488385 /nfs/dbraw/zinc/48/83/85/527488385.db2.gz AEYLJXKIZHVCCT-SFHVURJKSA-N 1 1 437.565 2.987 50 0 IFAAMO O=C(NCCC[NH+]1CCOCC1)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2 ZINC000021915043 527672074 /nfs/dbraw/zinc/67/20/74/527672074.db2.gz 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NC(=O)[C@@H]1[C@@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000015974991 556570309 /nfs/dbraw/zinc/57/03/09/556570309.db2.gz NWANDGFJGLFONL-MLHJIOFPSA-N 1 1 428.275 2.994 50 0 IFAAMO Cc1c(CN2CC[N@@H+](Cc3cccs3)[C@H](CCO)C2)c(=O)n(-c2ccccc2)n1C ZINC000039405441 556628743 /nfs/dbraw/zinc/62/87/43/556628743.db2.gz PZPFVQZOCFSIJC-HXUWFJFHSA-N 1 1 426.586 2.615 50 0 IFAAMO CCN1CC[NH+](Cc2ccccc2CNC(=O)c2cccc(NS(=O)(=O)CC)c2)CC1 ZINC000032921828 556642461 /nfs/dbraw/zinc/64/24/61/556642461.db2.gz ZYVBUYBDUUQHMZ-UHFFFAOYSA-N 1 1 444.601 2.516 50 0 IFAAMO O=C(CCC1CCN(C(=O)C(=O)c2ccco2)CC1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000011753950 556651377 /nfs/dbraw/zinc/65/13/77/556651377.db2.gz XVJNSJNRIGVDLZ-NRFANRHFSA-N 1 1 437.540 2.872 50 0 IFAAMO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CC[N@@H+](C)C[C@H]3c3ccccc3)C2)s1 ZINC000248160334 556670073 /nfs/dbraw/zinc/67/00/73/556670073.db2.gz XDVVXMGOSHQEGQ-PMACEKPBSA-N 1 1 447.626 2.973 50 0 IFAAMO 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CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)CC1 ZINC000078680169 556735090 /nfs/dbraw/zinc/73/50/90/556735090.db2.gz CQJIGPOAHHTBDW-VXKWHMMOSA-N 1 1 428.621 2.545 50 0 IFAAMO CCN(CC)C(=O)[C@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)C1 ZINC000055190578 556737253 /nfs/dbraw/zinc/73/72/53/556737253.db2.gz MYIJCHMIRGSJHK-WMLDXEAASA-N 1 1 436.350 2.661 50 0 IFAAMO CCN(CC)C(=O)[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)C1 ZINC000055190578 556737256 /nfs/dbraw/zinc/73/72/56/556737256.db2.gz MYIJCHMIRGSJHK-WMLDXEAASA-N 1 1 436.350 2.661 50 0 IFAAMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)C1 ZINC000055190575 556737294 /nfs/dbraw/zinc/73/72/94/556737294.db2.gz MYIJCHMIRGSJHK-RHSMWYFYSA-N 1 1 436.350 2.661 50 0 IFAAMO CCN(CC)C(=O)[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)C1 ZINC000055190575 556737297 /nfs/dbraw/zinc/73/72/97/556737297.db2.gz MYIJCHMIRGSJHK-RHSMWYFYSA-N 1 1 436.350 2.661 50 0 IFAAMO Cc1cccc(C[NH+]2CCN(C(=O)CN(C)CC(=O)Nc3ccccc3Cl)CC2)c1 ZINC000024336063 556739296 /nfs/dbraw/zinc/73/92/96/556739296.db2.gz HFEKLNVOTBIWMH-UHFFFAOYSA-N 1 1 428.964 2.863 50 0 IFAAMO Cc1ccc(-c2nnc(S[C@H](C)C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)n2N)cc1 ZINC000058017863 556754283 /nfs/dbraw/zinc/75/42/83/556754283.db2.gz XCZHREQKUYQYLX-YLJYHZDGSA-N 1 1 436.585 2.839 50 0 IFAAMO O=C(Nc1ccc(N2CCOCC2)cc1)[C@H]1CCC[N@H+](Cc2nc(-c3cccnc3)no2)C1 ZINC000062022914 556766163 /nfs/dbraw/zinc/76/61/63/556766163.db2.gz NHJRNMQKXUMDIL-IBGZPJMESA-N 1 1 448.527 2.819 50 0 IFAAMO O=C(Nc1ccc(N2CCOCC2)cc1)[C@H]1CCC[N@@H+](Cc2nc(-c3cccnc3)no2)C1 ZINC000062022914 556766168 /nfs/dbraw/zinc/76/61/68/556766168.db2.gz NHJRNMQKXUMDIL-IBGZPJMESA-N 1 1 448.527 2.819 50 0 IFAAMO CC(C)C[C@H](CNC(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)c(F)c1)N1CCOCC1 ZINC000058265333 556776476 /nfs/dbraw/zinc/77/64/76/556776476.db2.gz BEFQYKLDDXKGGU-HXUWFJFHSA-N 1 1 435.588 2.836 50 0 IFAAMO 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Cc1ccc(C[N@H+]2CCCN(CC(=O)NCC(=O)Nc3ccc(F)c(F)c3)CC2)cc1 ZINC000022995637 556833500 /nfs/dbraw/zinc/83/35/00/556833500.db2.gz GMMLLNGKBKWWNH-UHFFFAOYSA-N 1 1 430.499 2.536 50 0 IFAAMO COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)NCCC[NH+]4CCOCC4)c3n2)cc1 ZINC000019643249 556838155 /nfs/dbraw/zinc/83/81/55/556838155.db2.gz IIJPKENTKDNLHX-UHFFFAOYSA-N 1 1 445.470 2.795 50 0 IFAAMO Cc1nc(N2CCN(C(=O)Nc3cccc(Cl)c3C)CC2)cc(N2CCOCC2)[nH+]1 ZINC000067603884 556843609 /nfs/dbraw/zinc/84/36/09/556843609.db2.gz DIHPMDKXPYCLCR-UHFFFAOYSA-N 1 1 430.940 2.938 50 0 IFAAMO Cc1nc(-n2ccnc2)cc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)[nH+]1 ZINC000067621547 556844875 /nfs/dbraw/zinc/84/48/75/556844875.db2.gz JDRGQBZELBZCIC-UHFFFAOYSA-N 1 1 434.525 2.635 50 0 IFAAMO C[N@@H+](CCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)Cc1ccccc1 ZINC000033131257 556871603 /nfs/dbraw/zinc/87/16/03/556871603.db2.gz CDEKXCQTFQQLCR-UHFFFAOYSA-N 1 1 435.977 2.986 50 0 IFAAMO O=C(CN1c2ccccc2CCCC1=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000033249597 556889543 /nfs/dbraw/zinc/88/95/43/556889543.db2.gz SZWMHXPNGOSAOB-UHFFFAOYSA-N 1 1 440.975 2.948 50 0 IFAAMO c1cc2nonc2c(C[N@@H+]2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)c1 ZINC000019790934 556914997 /nfs/dbraw/zinc/91/49/97/556914997.db2.gz JDLQKRVLWQNOBI-HXUWFJFHSA-N 1 1 435.528 2.734 50 0 IFAAMO COCC[NH+]1CCN(Cc2c(C(=O)N(C)CCc3ccccc3)nc3c(C)cccn23)CC1 ZINC000019838391 556928712 /nfs/dbraw/zinc/92/87/12/556928712.db2.gz RKQBWVFHOUHTGX-UHFFFAOYSA-N 1 1 449.599 2.721 50 0 IFAAMO O=C(CN1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc21)NCCC[NH+]1CCOCC1 ZINC000019938230 556952259 /nfs/dbraw/zinc/95/22/59/556952259.db2.gz SXUMOBNLHAUBPC-DEOSSOPVSA-N 1 1 432.524 2.552 50 0 IFAAMO COc1ccc(/C=C/C[N@@H+]2CCc3nnc(CNC(=O)Cc4cccc(F)c4)n3CC2)cc1 ZINC000020201163 556997584 /nfs/dbraw/zinc/99/75/84/556997584.db2.gz MZUBTKQYPAMZED-HWKANZROSA-N 1 1 449.530 2.856 50 0 IFAAMO CC(C)(C)c1ccc(S(=O)(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000020386465 557012344 /nfs/dbraw/zinc/01/23/44/557012344.db2.gz DGAQVWONZNMJCP-UHFFFAOYSA-N 1 1 429.586 2.607 50 0 IFAAMO O=C1C[C@H](NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000020437419 557016907 /nfs/dbraw/zinc/01/69/07/557016907.db2.gz INGHCKPFBGOOPN-NRFANRHFSA-N 1 1 444.938 2.913 50 0 IFAAMO C[C@H]1C[N@H+](C2CCN(C(=O)[C@@H]3CCCN3C(=O)C34CC5CC(CC(C5)C3)C4)CC2)CCO1 ZINC000072013567 557020572 /nfs/dbraw/zinc/02/05/72/557020572.db2.gz PVWOENMPGHRDFU-XIHFSLHRSA-N 1 1 443.632 2.906 50 0 IFAAMO Cc1ccc(C(=O)N(CCS(=O)(=O)N2CC[NH2+]CC2)Cc2ccccc2Cl)cc1 ZINC000046140766 557042291 /nfs/dbraw/zinc/04/22/91/557042291.db2.gz WKSUFFOKACILFB-UHFFFAOYSA-N 1 1 435.977 2.526 50 0 IFAAMO O=C(c1ccccc1Cl)N(CCS(=O)(=O)N1CC[NH2+]CC1)C1CCCCCC1 ZINC000046140777 557042313 /nfs/dbraw/zinc/04/23/13/557042313.db2.gz DCRBELJBHGWYDO-UHFFFAOYSA-N 1 1 427.998 2.740 50 0 IFAAMO COc1cc(C(=O)N[C@@H](C)[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc(OC)c1OC ZINC000023181024 557044912 /nfs/dbraw/zinc/04/49/12/557044912.db2.gz ZCMQJXCCVGNOGG-YWZLYKJASA-N 1 1 433.574 2.881 50 0 IFAAMO C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000048249140 557048313 /nfs/dbraw/zinc/04/83/13/557048313.db2.gz ZTJMUDXYRNBCGF-OXJNMPFZSA-N 1 1 449.598 2.933 50 0 IFAAMO C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000048249140 557048317 /nfs/dbraw/zinc/04/83/17/557048317.db2.gz ZTJMUDXYRNBCGF-OXJNMPFZSA-N 1 1 449.598 2.933 50 0 IFAAMO Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)[C@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000048262714 557049942 /nfs/dbraw/zinc/04/99/42/557049942.db2.gz QDBMTCJGDUIWFK-IMSXRSKXSA-N 1 1 444.620 2.520 50 0 IFAAMO Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)[C@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000048262714 557049943 /nfs/dbraw/zinc/04/99/43/557049943.db2.gz QDBMTCJGDUIWFK-IMSXRSKXSA-N 1 1 444.620 2.520 50 0 IFAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(Cn2c3ccccc3n(C)c(=O)c2=O)cc1 ZINC000033272694 557052463 /nfs/dbraw/zinc/05/24/63/557052463.db2.gz UIUUWHWRONCXEC-LJQANCHMSA-N 1 1 448.567 2.743 50 0 IFAAMO COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000022938452 557053386 /nfs/dbraw/zinc/05/33/86/557053386.db2.gz NOEONUVOWQKGGF-UHFFFAOYSA-N 1 1 436.512 2.719 50 0 IFAAMO COc1cccc(C[C@@H](C(=O)N2CCC[N@@H+](Cc3cccs3)CC2)n2nnnc2C)c1 ZINC000048276820 557056758 /nfs/dbraw/zinc/05/67/58/557056758.db2.gz RRTGCLFYAYFQOV-NRFANRHFSA-N 1 1 440.573 2.570 50 0 IFAAMO CCN(CC)CC[N@H+](CC)[C@@H]1CCc2c(c(C(=O)N3CCOCC3)nn2CC(C)C)C1 ZINC000023353621 557086704 /nfs/dbraw/zinc/08/67/04/557086704.db2.gz BDRAWSPWUHQZGT-HXUWFJFHSA-N 1 1 433.641 2.533 50 0 IFAAMO CCN(CC)CC[N@@H+](CC)[C@@H]1CCc2c(c(C(=O)N3CCOCC3)nn2CC(C)C)C1 ZINC000023353621 557086705 /nfs/dbraw/zinc/08/67/05/557086705.db2.gz BDRAWSPWUHQZGT-HXUWFJFHSA-N 1 1 433.641 2.533 50 0 IFAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)[C@@H]1CCC(=O)N(CCc2cccc(F)c2)C1 ZINC000023367016 557088359 /nfs/dbraw/zinc/08/83/59/557088359.db2.gz IBIQKFRBLUUYCY-OAQYLSRUSA-N 1 1 445.579 2.758 50 0 IFAAMO COc1ccc(NC(=O)Cn2c(C)nc3c(c2=O)C[N@@H+](Cc2ccccc2)CC3)cc1OC 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/nfs/dbraw/zinc/11/48/61/557114861.db2.gz PHSFHOUBZGUMHN-UHFFFAOYSA-N 1 1 425.504 2.863 50 0 IFAAMO O=C(C[N@H+](Cc1ccc(F)cc1)C1CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000023762404 557114862 /nfs/dbraw/zinc/11/48/62/557114862.db2.gz PHSFHOUBZGUMHN-UHFFFAOYSA-N 1 1 425.504 2.863 50 0 IFAAMO Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)c3cc4ccccc4oc3=O)CC2)[nH+]1 ZINC000015838322 557118642 /nfs/dbraw/zinc/11/86/42/557118642.db2.gz ZJORLTZWKVGZGZ-UHFFFAOYSA-N 1 1 433.512 2.844 50 0 IFAAMO CCOC(=O)c1cccc(OC[C@@H](O)C[N@H+]2CCCN(Cc3ccc(F)cc3)CC2)c1 ZINC000025306375 557203086 /nfs/dbraw/zinc/20/30/86/557203086.db2.gz SPEJKAUHWHEELZ-QFIPXVFZSA-N 1 1 430.520 2.950 50 0 IFAAMO CCOC(=O)c1cccc(OC[C@@H](O)CN2CCC[N@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000025306375 557203089 /nfs/dbraw/zinc/20/30/89/557203089.db2.gz SPEJKAUHWHEELZ-QFIPXVFZSA-N 1 1 430.520 2.950 50 0 IFAAMO CCOC(=O)c1cccc(OC[C@@H](O)CN2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000025306375 557203092 /nfs/dbraw/zinc/20/30/92/557203092.db2.gz SPEJKAUHWHEELZ-QFIPXVFZSA-N 1 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CC[NH+]1CCN(C(=O)[C@H]2c3cc(OC)c(OC)cc3C(=O)N3CCc4ccccc4[C@@H]23)CC1 ZINC000020208912 563024028 /nfs/dbraw/zinc/02/40/28/563024028.db2.gz XCRDAZGCMFSDHJ-ZEQRLZLVSA-N 1 1 449.551 2.705 50 0 IFAAMO CCC(=O)N1c2ccccc2C[C@H]1C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000059552637 563146622 /nfs/dbraw/zinc/14/66/22/563146622.db2.gz WYFUTFGOGUJQPL-QFIPXVFZSA-N 1 1 440.975 2.946 50 0 IFAAMO CCC(=O)N1c2ccccc2C[C@@H]1C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000059552635 563146636 /nfs/dbraw/zinc/14/66/36/563146636.db2.gz WYFUTFGOGUJQPL-JOCHJYFZSA-N 1 1 440.975 2.946 50 0 IFAAMO C[C@H](O)C[N@@H+]1CCN(C(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)C[C@@H]1C ZINC000107502263 568625427 /nfs/dbraw/zinc/62/54/27/568625427.db2.gz KMMNOWGASBKASI-KBPBESRZSA-N 1 1 448.917 2.884 50 0 IFAAMO C[C@H](O)C[N@H+]1CCN(C(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)C[C@@H]1C ZINC000107502263 568625428 /nfs/dbraw/zinc/62/54/28/568625428.db2.gz KMMNOWGASBKASI-KBPBESRZSA-N 1 1 448.917 2.884 50 0 IFAAMO 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CC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC)C[C@@H](O)COC ZINC000169680137 568990780 /nfs/dbraw/zinc/99/07/80/568990780.db2.gz JBOYQRAGXJTKHU-IEBWSBKVSA-N 1 1 448.585 2.591 50 0 IFAAMO CC[NH+]1CCN(C(=O)c2ccc3c(c2)n(Cc2cccc(F)c2)c(=O)c2ccnn23)CC1 ZINC000169681208 568992821 /nfs/dbraw/zinc/99/28/21/568992821.db2.gz ZQWRPAIBDHXGJK-UHFFFAOYSA-N 1 1 433.487 2.614 50 0 IFAAMO COC[C@@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)CC1CC1 ZINC000036309092 568995942 /nfs/dbraw/zinc/99/59/42/568995942.db2.gz YEMPDFJQTXLDKH-UGKGYDQZSA-N 1 1 444.597 2.972 50 0 IFAAMO CC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)C[C@@H](O)COC ZINC000036310027 568996419 /nfs/dbraw/zinc/99/64/19/568996419.db2.gz JBOYQRAGXJTKHU-MJGOQNOKSA-N 1 1 448.585 2.591 50 0 IFAAMO O=C(Nc1cccc(Cl)c1)N1CC[NH+]([C@@H](C(=O)N2CCOCC2)C2CCCC2)CC1 ZINC000036310722 568996696 /nfs/dbraw/zinc/99/66/96/568996696.db2.gz GFJMOYMLAJAEGW-HXUWFJFHSA-N 1 1 434.968 2.907 50 0 IFAAMO COc1ccc([C@@H]2CC(c3ccccc3F)=NN2C(=O)CN2CC[NH+](C)CC2)c(OC)c1 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Cc1ccc(-c2noc(CN3CC[NH+](C[C@H](O)COCc4ccccc4F)CC3)n2)cc1 ZINC000040039715 569483305 /nfs/dbraw/zinc/48/33/05/569483305.db2.gz RLCCQKPMLHRINE-NRFANRHFSA-N 1 1 440.519 2.879 50 0 IFAAMO Cc1c(C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000040092011 569487513 /nfs/dbraw/zinc/48/75/13/569487513.db2.gz ZBUIFJOOAUCWLB-KRWDZBQOSA-N 1 1 437.466 2.921 50 0 IFAAMO O=C(NC[C@@H]([C@H]1CCOC1)[NH+]1CCOCC1)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000040104499 569488155 /nfs/dbraw/zinc/48/81/55/569488155.db2.gz RYTGADQRTKMXAL-LPHOPBHVSA-N 1 1 444.557 2.859 50 0 IFAAMO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[NH+]1CCC(C(=O)NCCc2ccccc2F)CC1 ZINC000040120651 569489497 /nfs/dbraw/zinc/48/94/97/569489497.db2.gz SZEIGNZKCCBBLY-QGZVFWFLSA-N 1 1 429.540 2.574 50 0 IFAAMO COc1ccc([C@H](NC(=O)C[N@@H+]2CCC[C@H](C(=O)Nc3nncs3)C2)C(C)C)cc1 ZINC000040151469 569493274 /nfs/dbraw/zinc/49/32/74/569493274.db2.gz VHXJWKDCFUNQIT-QFBILLFUSA-N 1 1 431.562 2.711 50 0 IFAAMO 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Cc1cc(C)n(CC[N@H+]2CCCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000077196867 569586186 /nfs/dbraw/zinc/58/61/86/569586186.db2.gz NXZZKLPJCZUNNE-UHFFFAOYSA-N 1 1 430.496 2.915 50 0 IFAAMO CCNC(=S)N(CCCOC)Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1 ZINC000036312899 569587991 /nfs/dbraw/zinc/58/79/91/569587991.db2.gz VSKYHIYKEYJHFK-UHFFFAOYSA-N 1 1 449.596 2.965 50 0 IFAAMO CCCC[N@@H+](C)CCNC(=O)[C@@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 ZINC000006936249 132280002 /nfs/dbraw/zinc/28/00/02/132280002.db2.gz QTEXHRBSNBCQPH-GOSISDBHSA-N 1 1 427.597 2.617 50 0 IFAAMO Cc1cc(=O)n2c(n1)NC(N1CCN(c3cccc(Cl)c3)CC1)=[NH+][C@@H]2c1cccnc1 ZINC000009422486 132316528 /nfs/dbraw/zinc/31/65/28/132316528.db2.gz UPVFYRHVRHXCBE-FQEVSTJZSA-N 1 1 435.919 2.751 50 0 IFAAMO C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000009836867 132329852 /nfs/dbraw/zinc/32/98/52/132329852.db2.gz GNPDIEKQEPJICZ-HXUWFJFHSA-N 1 1 442.604 2.965 50 0 IFAAMO C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[NH+]1CCC(C(=O)N2CCCCCC2)CC1 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/nfs/dbraw/zinc/52/47/64/521524764.db2.gz GRTDGWSJUICEMG-JOCHJYFZSA-N 1 1 446.551 2.751 50 0 IFAAMO CC[NH+]1CCN(C(=O)CCCN2c3c(C)nn(-c4ccccc4)c3SCC2=O)CC1 ZINC000021154668 521661889 /nfs/dbraw/zinc/66/18/89/521661889.db2.gz BASJOWQWQZLQHV-UHFFFAOYSA-N 1 1 427.574 2.564 50 0 IFAAMO CC[NH+]1CCN(c2nnc(-n3cccc3C(=O)Nc3cc(OC)cc(OC)c3)s2)CC1 ZINC000021535333 521701466 /nfs/dbraw/zinc/70/14/66/521701466.db2.gz LODUPJCAVBCXAK-UHFFFAOYSA-N 1 1 442.545 2.740 50 0 IFAAMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(N2CCCCC2=O)cc1)c1ccc2c(c1)OCO2 ZINC000012196761 522031786 /nfs/dbraw/zinc/03/17/86/522031786.db2.gz VALOGFLROHNMQX-IBGZPJMESA-N 1 1 445.541 2.513 50 0 IFAAMO COc1cc(C[N@@H+]2CCc3nnc([C@@H](C)NC(=O)CCc4ccccc4)n3CC2)ccc1O ZINC000012162602 522396558 /nfs/dbraw/zinc/39/65/58/522396558.db2.gz IOYHZNFMDKPNCH-GOSISDBHSA-N 1 1 449.555 2.861 50 0 IFAAMO COC(=O)C1CCN(C[C@@H](O)COc2ccc(C[N@H+](C)Cc3ccccc3)cc2)CC1 ZINC000012439343 522916066 /nfs/dbraw/zinc/91/60/66/522916066.db2.gz LWUFDPUATYKFCD-HSZRJFAPSA-N 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C[NH+]1CCN(C(=O)C2CCN(c3nn4cc(-c5ccc(F)cc5)nc4s3)CC2)CC1 ZINC000020531924 523867156 /nfs/dbraw/zinc/86/71/56/523867156.db2.gz FVHFASPXLVYVHA-UHFFFAOYSA-N 1 1 428.537 2.587 50 0 IFAAMO COc1ccc(C[N@@H+]2CCc3nnc([C@@H](C)NC(=O)c4cccnc4)n3CC2)c(C)c1C ZINC000020912940 524039764 /nfs/dbraw/zinc/03/97/64/524039764.db2.gz RKTYCODTUIGACX-GOSISDBHSA-N 1 1 434.544 2.848 50 0 IFAAMO C[C@@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000012380425 524125929 /nfs/dbraw/zinc/12/59/29/524125929.db2.gz YMINRELBLAEXJF-KRWDZBQOSA-N 1 1 435.977 2.839 50 0 IFAAMO Cc1cc(C)cc(N([C@@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)S(C)(=O)=O)c1 ZINC000020482069 524409066 /nfs/dbraw/zinc/40/90/66/524409066.db2.gz BENLWLVDZRKLRO-FQEVSTJZSA-N 1 1 429.586 2.802 50 0 IFAAMO Cc1ccc(C[N@@H+]2CCc3nnc(CCNC(=O)COc4ccccc4)n3CC2)cc1C ZINC000020455285 524476462 /nfs/dbraw/zinc/47/64/62/524476462.db2.gz ZQVSBWUEWMCMKV-UHFFFAOYSA-N 1 1 433.556 2.691 50 0 IFAAMO COc1ccc(OC[C@@H](O)C[NH+]2CCC(O)CC2)c(CNC2(c3ccccc3)CC2)c1 ZINC000012386671 524968679 /nfs/dbraw/zinc/96/86/79/524968679.db2.gz BIRUAVNBOGNHHB-QFIPXVFZSA-N 1 1 426.557 2.671 50 0 IFAAMO COc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)OCO3)[NH+]2CCCC2)cc1OC ZINC000012197430 525061364 /nfs/dbraw/zinc/06/13/64/525061364.db2.gz PNUZHDMHKUQOIT-KRWDZBQOSA-N 1 1 434.514 2.548 50 0 IFAAMO COc1ccc([C@@H]2N(C(=O)C[NH+]3CCCC3)CCN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000012867462 525265737 /nfs/dbraw/zinc/26/57/37/525265737.db2.gz GDGQPSDKTDWXQH-HSZRJFAPSA-N 1 1 443.569 2.631 50 0 IFAAMO COc1cccc(C[N@@H+]2CCc3nnc([C@@H](C)NC(=O)c4cccc(OC)c4)n3CC2)c1 ZINC000012283340 525954826 /nfs/dbraw/zinc/95/48/26/525954826.db2.gz AWRQAAITSNCDNS-QGZVFWFLSA-N 1 1 435.528 2.845 50 0 IFAAMO COc1cccc(C[N@@H+]2CCc3nnc([C@H](C)NC(=O)c4cccc(OC)c4)n3CC2)c1 ZINC000012283343 525955306 /nfs/dbraw/zinc/95/53/06/525955306.db2.gz AWRQAAITSNCDNS-KRWDZBQOSA-N 1 1 435.528 2.845 50 0 IFAAMO O=C(NCCc1nnc2n1CC[N@H+](Cc1cccc3ccccc31)CC2)c1cccnc1 ZINC000020598547 526465340 /nfs/dbraw/zinc/46/53/40/526465340.db2.gz RDAUNYSFQZVSAY-UHFFFAOYSA-N 1 1 426.524 2.857 50 0 IFAAMO O=C(N[C@@H](Cc1ccccc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1)c1cccnc1 ZINC000020713883 526863381 /nfs/dbraw/zinc/86/33/81/526863381.db2.gz JQHKVNKETXJBOQ-DEOSSOPVSA-N 1 1 428.536 2.767 50 0 IFAAMO O=C(COc1ccccc1)NCCc1nnc2n1CC[N@H+](Cc1cc3ccccc3[nH]1)CC2 ZINC000012338183 526984048 /nfs/dbraw/zinc/98/40/48/526984048.db2.gz FPJBRDGHMNCPMH-UHFFFAOYSA-N 1 1 444.539 2.555 50 0 IFAAMO O=C(Nc1c2c([nH+]c3c1CCCC3)CCC2)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000012524305 527094518 /nfs/dbraw/zinc/09/45/18/527094518.db2.gz LOHUAWFZLUYCQP-UHFFFAOYSA-N 1 1 441.553 2.722 50 0 IFAAMO O=S(=O)(c1cccc(CN2CC[NH+](C/C=C/c3ccccc3)CC2)c1)N1CCOCC1 ZINC000022793919 527282962 /nfs/dbraw/zinc/28/29/62/527282962.db2.gz JYSQLJDIZOEZRM-WEVVVXLNSA-N 1 1 441.597 2.539 50 0 IFAAMO O=C(NCCC[NH+]1CCOCC1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccccc1)N2 ZINC000020509975 527672381 /nfs/dbraw/zinc/67/23/81/527672381.db2.gz ZLKUCZBZKHGTJH-WMZOPIPTSA-N 1 1 437.466 2.996 50 0 IFAAMO C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)NN1CC[NH+](C)CC1 ZINC000000901112 555581083 /nfs/dbraw/zinc/58/10/83/555581083.db2.gz OODAYXXSUSUCJW-ZDUSSCGKSA-N 1 1 425.480 2.922 50 0 IFAAMO Cc1c(C(=O)N2CCOCC2)nnn1-c1cccc2c1CC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000071889510 555725287 /nfs/dbraw/zinc/72/52/87/555725287.db2.gz DGVXQTULXUMZTO-UHFFFAOYSA-N 1 1 435.503 2.746 50 0 IFAAMO CC1CCN(c2nc3c(c(N4CC[NH+](C)CC4)n2)CN(C(=O)c2ccccc2)CC3)CC1 ZINC000034676677 555794630 /nfs/dbraw/zinc/79/46/30/555794630.db2.gz GNVAPMDVSHZTGG-UHFFFAOYSA-N 1 1 434.588 2.663 50 0 IFAAMO COCCN(C[C@@H]1C[N@H+](C[C@@H](O)C(C)C)CCO1)C(=O)c1cccc(C(F)(F)F)c1 ZINC000034691453 555804171 /nfs/dbraw/zinc/80/41/71/555804171.db2.gz LFWWSUFYDGEFMG-RBUKOAKNSA-N 1 1 432.483 2.512 50 0 IFAAMO COCCN(C[C@@H]1C[N@@H+](C[C@@H](O)C(C)C)CCO1)C(=O)c1cccc(C(F)(F)F)c1 ZINC000034691453 555804176 /nfs/dbraw/zinc/80/41/76/555804176.db2.gz LFWWSUFYDGEFMG-RBUKOAKNSA-N 1 1 432.483 2.512 50 0 IFAAMO COc1ccc(-c2cc3ccc(OCC(=O)N4CC[NH+](C)CC4)cc3oc2=O)cc1OC ZINC000013693238 556282652 /nfs/dbraw/zinc/28/26/52/556282652.db2.gz AKMDDGDOJQAPCJ-UHFFFAOYSA-N 1 1 438.480 2.630 50 0 IFAAMO NC(=O)CCN(C(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)c1ccc(F)cc1 ZINC000032769001 556333865 /nfs/dbraw/zinc/33/38/65/556333865.db2.gz BNQYUJYRSSKKBJ-IBGZPJMESA-N 1 1 427.476 2.642 50 0 IFAAMO NC(=O)CCN(C(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)c1ccc(F)cc1 ZINC000032769001 556333868 /nfs/dbraw/zinc/33/38/68/556333868.db2.gz BNQYUJYRSSKKBJ-IBGZPJMESA-N 1 1 427.476 2.642 50 0 IFAAMO COc1ccc(OCC[NH+]2CCN([C@@H](C)C(=O)Nc3ccc(N(C)C)cc3)CC2)cc1 ZINC000022925592 556348069 /nfs/dbraw/zinc/34/80/69/556348069.db2.gz SLOBZAPJIMIKRU-IBGZPJMESA-N 1 1 426.561 2.785 50 0 IFAAMO COCCN(C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1)C(=O)Cn1nc2ccccc2n1 ZINC000011767930 556349757 /nfs/dbraw/zinc/34/97/57/556349757.db2.gz LIRZYXDCLOCGRY-HXUWFJFHSA-N 1 1 447.583 2.786 50 0 IFAAMO COCC(=O)N[C@H](CC(C)C)c1nnc2n1CC[N@H+](Cc1ccc3ncccc3c1)CC2 ZINC000011786989 556353811 /nfs/dbraw/zinc/35/38/11/556353811.db2.gz JVQXWUFRTKCKGY-OAQYLSRUSA-N 1 1 436.560 2.734 50 0 IFAAMO CC[NH+]1CCN(C(=O)c2cc(NC(=O)COC)cc3ncn(CCc4ccccc4)c32)CC1 ZINC000011789079 556354520 /nfs/dbraw/zinc/35/45/20/556354520.db2.gz XQSQZJUWKIHWCJ-UHFFFAOYSA-N 1 1 449.555 2.642 50 0 IFAAMO O=C(CCC1CCN(C(=O)c2n[nH]c3c2CCC3)CC1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000011820347 556362414 /nfs/dbraw/zinc/36/24/14/556362414.db2.gz WORYKARJQBKPCQ-NRFANRHFSA-N 1 1 449.599 2.922 50 0 IFAAMO C[C@@H]1C[C@@H](CC(=O)N2CCC[C@@H]3C[N@@H+](CCCc4ccccc4)CC[C@@H]32)NC(=S)N1 ZINC000011966021 556381808 /nfs/dbraw/zinc/38/18/08/556381808.db2.gz RVZQUQBVFJDXBU-YJMBLLCNSA-N 1 1 428.646 2.947 50 0 IFAAMO O=C(Cc1ccc(F)cc1)NCCc1nnc2n1CC[N@H+](CCCc1ccccc1)CC2 ZINC000012037373 556390181 /nfs/dbraw/zinc/39/01/81/556390181.db2.gz XXLLUHHJKUKYQG-UHFFFAOYSA-N 1 1 435.547 2.810 50 0 IFAAMO CC(C)[C@@H](NC(=O)c1ccccn1)c1nnc2n1CC[N@H+](Cc1ccc3c(c1)OCO3)CC2 ZINC000012039026 556390459 /nfs/dbraw/zinc/39/04/59/556390459.db2.gz CRXCOSTXDODVHR-JOCHJYFZSA-N 1 1 448.527 2.587 50 0 IFAAMO O=C(CCC1CCN(C(=O)C2CCOCC2)CC1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012076778 556397941 /nfs/dbraw/zinc/39/79/41/556397941.db2.gz GWZBBQCBAQCWRK-QHCPKHFHSA-N 1 1 427.589 2.823 50 0 IFAAMO C[N@@H+](CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)Cc1ccccc1C(F)(F)F ZINC000013010314 556435705 /nfs/dbraw/zinc/43/57/05/556435705.db2.gz QVLLOXMHRPEQQV-UHFFFAOYSA-N 1 1 426.439 2.813 50 0 IFAAMO CCN(CC)C(=O)CO[C@@H]1CN(Cc2ccc(OC)cc2)C(=O)C[N@H+](C2CCCC2)C1 ZINC000014744268 556440062 /nfs/dbraw/zinc/44/00/62/556440062.db2.gz YEZIKEHPHUKPLC-QFIPXVFZSA-N 1 1 431.577 2.536 50 0 IFAAMO Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCCc3c[nH]cn3)C[N@@H+](Cc3ccccc3)C2)cn1 ZINC000014751522 556443733 /nfs/dbraw/zinc/44/37/33/556443733.db2.gz QGTGIWUTJBFBRH-FCHUYYIVSA-N 1 1 433.556 2.989 50 0 IFAAMO Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCCc3cnc[nH]3)C[N@H+](Cc3ccccc3)C2)cn1 ZINC000014751522 556443734 /nfs/dbraw/zinc/44/37/34/556443734.db2.gz QGTGIWUTJBFBRH-FCHUYYIVSA-N 1 1 433.556 2.989 50 0 IFAAMO Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCCc3cnc[nH]3)C[N@@H+](Cc3ccccc3)C2)cn1 ZINC000014751522 556443736 /nfs/dbraw/zinc/44/37/36/556443736.db2.gz QGTGIWUTJBFBRH-FCHUYYIVSA-N 1 1 433.556 2.989 50 0 IFAAMO C[C@H]1Oc2ccccc2N(CCC(=O)NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)C1=O ZINC000072273227 556446613 /nfs/dbraw/zinc/44/66/13/556446613.db2.gz YCQBONVKNRSCMH-RBUKOAKNSA-N 1 1 437.540 2.728 50 0 IFAAMO C[C@H]1Oc2ccccc2N(CCC(=O)NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)C1=O ZINC000072273227 556446616 /nfs/dbraw/zinc/44/66/16/556446616.db2.gz YCQBONVKNRSCMH-RBUKOAKNSA-N 1 1 437.540 2.728 50 0 IFAAMO COCCC(=O)N[C@H](C)c1nnc2n1CC[N@@H+](Cc1cccc(C(F)(F)F)c1)CC2 ZINC000014882747 556454475 /nfs/dbraw/zinc/45/44/75/556454475.db2.gz BQRQKMYVTNXGHL-CQSZACIVSA-N 1 1 425.455 2.569 50 0 IFAAMO COCCC(=O)N[C@H](C)c1nnc2n1CC[N@H+](Cc1cccc(C(F)(F)F)c1)CC2 ZINC000014882747 556454476 /nfs/dbraw/zinc/45/44/76/556454476.db2.gz BQRQKMYVTNXGHL-CQSZACIVSA-N 1 1 425.455 2.569 50 0 IFAAMO Cc1ccc(C)c(C[N@@H+]2CCc3nnc(CCNC(=O)COc4ccccc4)n3CC2)c1 ZINC000014884604 556454689 /nfs/dbraw/zinc/45/46/89/556454689.db2.gz ARXPSUKZKSTLHD-UHFFFAOYSA-N 1 1 433.556 2.691 50 0 IFAAMO Cc1cc(C)cc(C[N@@H+]2CCc3nnc(CCNC(=O)Cc4ccc(F)cc4)n3CC2)c1 ZINC000014961456 556464242 /nfs/dbraw/zinc/46/42/42/556464242.db2.gz SYFFXSMEESGNKJ-UHFFFAOYSA-N 1 1 435.547 2.994 50 0 IFAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(OC)ccc1OC1CCN(C(=O)C2CC2)CC1 ZINC000014978417 556469655 /nfs/dbraw/zinc/46/96/55/556469655.db2.gz WKBKZFFMNSTCKU-GOSISDBHSA-N 1 1 429.561 2.689 50 0 IFAAMO C/C=C(\C)C[N@@H+]1C[C@H](n2cc(C(=O)OC)nn2)C[C@H]1C(=O)NCCc1cccc(Cl)c1 ZINC000014983557 556471701 /nfs/dbraw/zinc/47/17/01/556471701.db2.gz QYSHFGQRIAGUIM-GTWHDPJTSA-N 1 1 445.951 2.659 50 0 IFAAMO C/C=C(\C)C[N@H+]1C[C@H](n2cc(C(=O)OC)nn2)C[C@H]1C(=O)NCCc1cccc(Cl)c1 ZINC000014983557 556471705 /nfs/dbraw/zinc/47/17/05/556471705.db2.gz QYSHFGQRIAGUIM-GTWHDPJTSA-N 1 1 445.951 2.659 50 0 IFAAMO COc1cccc(C(=O)N[C@@H](C)c2nnc3n2CC[N@H+](Cc2ccccc2OC)CC3)c1 ZINC000014989814 556474376 /nfs/dbraw/zinc/47/43/76/556474376.db2.gz MQLFKJANWXOHEU-KRWDZBQOSA-N 1 1 435.528 2.845 50 0 IFAAMO O=C(c1cn([C@@H]2CCC[N@@H+](C3CCN(CCc4ccccc4)CC3)C2)nn1)N1CCCC1 ZINC000014990943 556475091 /nfs/dbraw/zinc/47/50/91/556475091.db2.gz KDXYJWDBCVIYHJ-HSZRJFAPSA-N 1 1 436.604 2.858 50 0 IFAAMO O=C(c1cn([C@@H]2CCC[N@H+](C3CCN(CCc4ccccc4)CC3)C2)nn1)N1CCCC1 ZINC000014990943 556475095 /nfs/dbraw/zinc/47/50/95/556475095.db2.gz KDXYJWDBCVIYHJ-HSZRJFAPSA-N 1 1 436.604 2.858 50 0 IFAAMO COC(=O)c1cn([C@H]2C[C@@H](C(=O)NC3CCCCCC3)[N@H+](Cc3ccccc3)C2)nn1 ZINC000014993827 556476513 /nfs/dbraw/zinc/47/65/13/556476513.db2.gz DHMOENBPLGSFFH-FPOVZHCZSA-N 1 1 425.533 2.719 50 0 IFAAMO COC(=O)c1cn([C@H]2C[C@@H](C(=O)NC3CCCCCC3)[N@@H+](Cc3ccccc3)C2)nn1 ZINC000014993827 556476516 /nfs/dbraw/zinc/47/65/16/556476516.db2.gz DHMOENBPLGSFFH-FPOVZHCZSA-N 1 1 425.533 2.719 50 0 IFAAMO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1 ZINC000072286674 556478680 /nfs/dbraw/zinc/47/86/80/556478680.db2.gz GUJXRCHJXAGPQO-WWOZWPLTSA-N 1 1 428.602 2.893 50 0 IFAAMO O=C(NCc1ccc2c(c1)OCO2)c1ccc(N2CCC([N@H+]3CCC[C@@H](O)C3)CC2)cc1 ZINC000015004569 556481250 /nfs/dbraw/zinc/48/12/50/556481250.db2.gz GCAMTECWBGQFFQ-JOCHJYFZSA-N 1 1 437.540 2.771 50 0 IFAAMO Cc1ccccc1C[NH+]1CCN(C(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)CC1 ZINC000029760371 556481890 /nfs/dbraw/zinc/48/18/90/556481890.db2.gz QJCMVXVWOKMZSX-UHFFFAOYSA-N 1 1 427.570 2.641 50 0 IFAAMO Cn1cccc1[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000015521771 556533138 /nfs/dbraw/zinc/53/31/38/556533138.db2.gz UZOOITTXBNBUIO-NRFANRHFSA-N 1 1 430.574 2.975 50 0 IFAAMO Cn1cccc1[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000015521771 556533142 /nfs/dbraw/zinc/53/31/42/556533142.db2.gz UZOOITTXBNBUIO-NRFANRHFSA-N 1 1 430.574 2.975 50 0 IFAAMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cc1csc(N2CCCNC2=O)n1 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/nfs/dbraw/zinc/60/60/87/556606087.db2.gz NEBZSJIUDGVDKL-REWPJTCUSA-N 1 1 439.556 2.849 50 0 IFAAMO COCCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000409414600 556639780 /nfs/dbraw/zinc/63/97/80/556639780.db2.gz NEUDBCYODBUKHN-TUNNFDKTSA-N 1 1 431.577 2.758 50 0 IFAAMO COc1ccc(C[N@H+]2CCCC[C@H]2CCn2cc(C(=O)NC3CC3)nn2)c(OC)c1C ZINC000011880827 556668283 /nfs/dbraw/zinc/66/82/83/556668283.db2.gz VCLQAWRPGWRFJO-IBGZPJMESA-N 1 1 427.549 2.941 50 0 IFAAMO C[C@@H]1CCC[N@@H+](CCNC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)C1 ZINC000032931453 556675463 /nfs/dbraw/zinc/67/54/63/556675463.db2.gz RHJPCVMXCZWSIB-LJQANCHMSA-N 1 1 441.597 2.895 50 0 IFAAMO Cc1cccc(C[NH+]2CCN(C(=O)COC(=O)c3cc4c(c(Cl)c3)OCO4)CC2)c1 ZINC000024223389 556694528 /nfs/dbraw/zinc/69/45/28/556694528.db2.gz VDNWWHYQWRIQAU-UHFFFAOYSA-N 1 1 430.888 2.878 50 0 IFAAMO COc1ccc(C[N@H+](C)Cc2ccc(C)cc2)cc1OC[C@@H](O)CN1CCN(C)CC1 ZINC000019223823 556716289 /nfs/dbraw/zinc/71/62/89/556716289.db2.gz 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/nfs/dbraw/zinc/58/20/99/569582099.db2.gz BJJGGWIDCVGKOP-IEZKXTBUSA-N 1 1 448.567 2.848 50 0 IFAAMO Cc1nc2c(c(=O)n1CC(=O)N1CCc3ccccc3C1)CC[N@H+](Cc1ccccc1)C2 ZINC000035456238 569587679 /nfs/dbraw/zinc/58/76/79/569587679.db2.gz DDSHTEGFKMUGAW-UHFFFAOYSA-N 1 1 428.536 2.695 50 0 IFAAMO Cc1nc2c(c(=O)n1CC(=O)N1CCc3ccccc3C1)CC[N@@H+](Cc1ccccc1)C2 ZINC000035456238 569587680 /nfs/dbraw/zinc/58/76/80/569587680.db2.gz DDSHTEGFKMUGAW-UHFFFAOYSA-N 1 1 428.536 2.695 50 0 IFAAMO CCCC[N@@H+](CCNC(=O)c1c(C)oc2ncnc(N3CCOCC3)c21)Cc1ccco1 ZINC000009227708 132309937 /nfs/dbraw/zinc/30/99/37/132309937.db2.gz BPMOPAAEXRZRRI-UHFFFAOYSA-N 1 1 441.532 2.993 50 0 IFAAMO CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)c2ccccc2F)c1 ZINC000009583900 132322437 /nfs/dbraw/zinc/32/24/37/132322437.db2.gz NCPVVXKZBIPCDP-UHFFFAOYSA-N 1 1 448.564 2.860 50 0 IFAAMO C/C(=C\c1ccccc1)C[N@@H+]1CCc2nnc(CCNC(=O)COc3ccccc3)n2CC1 ZINC000012125487 518444412 /nfs/dbraw/zinc/44/44/12/518444412.db2.gz UXCWHQAMHRECCJ-DYTRJAOYSA-N 1 1 445.567 2.977 50 0 IFAAMO C/C=C(\C)C[N@H+]1CCc2c(C(=O)OC)c(OCCCc3cccnc3)cc(=O)n2CC1 ZINC000012152075 518483928 /nfs/dbraw/zinc/48/39/28/518483928.db2.gz CTTPSSYXPIRJGN-JJPRUIFNSA-N 1 1 425.529 2.866 50 0 IFAAMO C/C=C(\C)C[N@@H+]1CCc2c(C(=O)OC)c(OCCCc3cccnc3)cc(=O)n2CC1 ZINC000012152075 518483935 /nfs/dbraw/zinc/48/39/35/518483935.db2.gz CTTPSSYXPIRJGN-JJPRUIFNSA-N 1 1 425.529 2.866 50 0 IFAAMO CC(C)(C)c1ccc(C(=O)N(CCC(=O)N2CCNCC2)CC[NH+]2CCCCC2)cc1 ZINC000035422053 519012605 /nfs/dbraw/zinc/01/26/05/519012605.db2.gz OLNZSAPJFWBPJH-UHFFFAOYSA-N 1 1 428.621 2.734 50 0 IFAAMO CC(C)Cc1nc2oc3c(ncnc3N3CC[NH+](CCO)CC3)c2c2c1COC(C)(C)C2 ZINC000020519385 519461050 /nfs/dbraw/zinc/46/10/50/519461050.db2.gz VHJNGZPFUXRZAL-UHFFFAOYSA-N 1 1 439.560 2.935 50 0 IFAAMO CC(C)CCNC(=O)[C@@]1(C)CCC(=O)N1CCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000021776479 519659786 /nfs/dbraw/zinc/65/97/86/519659786.db2.gz YCXBCBSKVMBBSM-XMMPIXPASA-N 1 1 432.584 2.881 50 0 IFAAMO 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428.558 2.709 50 0 IFAAMO C[N@H+]1CCC[C@@H](CNC(=O)c2cn(C3CC3)cc(C(=O)NCC3CCCCC3)c2=O)C1 ZINC000012282449 523814896 /nfs/dbraw/zinc/81/48/96/523814896.db2.gz FOUDMGDPYKSYQY-SFHVURJKSA-N 1 1 428.577 2.565 50 0 IFAAMO COCCNC(=O)CN1CC[NH+](Cc2cc(C)n(CCc3ccc(Cl)cc3)c2C)CC1 ZINC000022791495 523893109 /nfs/dbraw/zinc/89/31/09/523893109.db2.gz FOBCWKILPZCDFS-UHFFFAOYSA-N 1 1 447.023 2.881 50 0 IFAAMO COCCNC(=O)c1ccc(OC)cc1OC1CC[NH+](Cc2ccc(COC)o2)CC1 ZINC000012592878 523926175 /nfs/dbraw/zinc/92/61/75/523926175.db2.gz CLZCVANUXJNRDZ-UHFFFAOYSA-N 1 1 432.517 2.854 50 0 IFAAMO CCc1ccc(C[N@@H+]2CCc3nnc(CCNC(=O)Cc4ccc(F)cc4)n3CC2)o1 ZINC000020598355 523928865 /nfs/dbraw/zinc/92/88/65/523928865.db2.gz DUESPPRGAXAUDZ-UHFFFAOYSA-N 1 1 425.508 2.532 50 0 IFAAMO COc1ccc(CN(C)Cc2nnc(C)o2)cc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000012588144 524008902 /nfs/dbraw/zinc/00/89/02/524008902.db2.gz LMFZCJNTIZKKBH-OAQYLSRUSA-N 1 1 440.544 2.890 50 0 IFAAMO COc1ccc(C[NH2+]CCc2cccc(Cl)c2)cc1OC[C@H](O)CN1CCN(C)CC1 ZINC000020539447 524070805 /nfs/dbraw/zinc/07/08/05/524070805.db2.gz KYICKYOTQGWMLK-JOCHJYFZSA-N 1 1 448.007 2.668 50 0 IFAAMO C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000012795366 524262991 /nfs/dbraw/zinc/26/29/91/524262991.db2.gz ZMELIPNNXNVEGI-HNNXBMFYSA-N 1 1 425.485 2.841 50 0 IFAAMO Cc1ccc(C[N@@H+]2CCc3nnc([C@H](C)NC(=O)COc4ccccc4)n3CC2)s1 ZINC000020600674 524475933 /nfs/dbraw/zinc/47/59/33/524475933.db2.gz JCWJBFIFIDTAIE-KRWDZBQOSA-N 1 1 425.558 2.963 50 0 IFAAMO COc1ccc(S(N)(=O)=O)cc1C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000012747226 525095996 /nfs/dbraw/zinc/09/59/96/525095996.db2.gz MKEXCQQGZZJVIX-SFHVURJKSA-N 1 1 437.949 2.563 50 0 IFAAMO COc1ccc([C@H]2N(C(=O)C[NH+]3CCCC3)CCN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000012867471 525427404 /nfs/dbraw/zinc/42/74/04/525427404.db2.gz GDGQPSDKTDWXQH-QHCPKHFHSA-N 1 1 443.569 2.631 50 0 IFAAMO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C)CC2)c2cccc(Cl)c2C)cc1 ZINC000022238506 525503983 /nfs/dbraw/zinc/50/39/83/525503983.db2.gz MWKSJJJCZDXULZ-UHFFFAOYSA-N 1 1 435.977 2.926 50 0 IFAAMO COc1ccc2c(c1)N1CC[N@H+](Cc3ccc(F)cc3)C[C@@H]1[C@H](C(=O)N1CCOCC1)C2 ZINC000035872078 525551705 /nfs/dbraw/zinc/55/17/05/525551705.db2.gz AXDSFLYXYQDUEG-ISKFKSNPSA-N 1 1 439.531 2.556 50 0 IFAAMO Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCCC[NH+]1CCOCC1)OC(C)(C)CC3 ZINC000020756826 525961522 /nfs/dbraw/zinc/96/15/22/525961522.db2.gz ZGDFZFFBGLHSCI-UHFFFAOYSA-N 1 1 428.529 2.586 50 0 IFAAMO C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000012795363 526148702 /nfs/dbraw/zinc/14/87/02/526148702.db2.gz ZMELIPNNXNVEGI-OAHLLOKOSA-N 1 1 425.485 2.841 50 0 IFAAMO C[C@H](c1nc2ccccc2s1)N(C)C(=O)CN1CCC[N@H+](CC(=O)NC(C)(C)C)CC1 ZINC000022799576 526180108 /nfs/dbraw/zinc/18/01/08/526180108.db2.gz LLZYFHLYTCGFCH-QGZVFWFLSA-N 1 1 445.633 2.738 50 0 IFAAMO C[C@H](c1nc2ccccc2s1)N(C)C(=O)CN1CCC[N@@H+](CC(=O)NC(C)(C)C)CC1 ZINC000022799576 526180118 /nfs/dbraw/zinc/18/01/18/526180118.db2.gz 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O=C(NCCC[NH+]1CCOCC1)c1ccc2c(c1)N(Cc1ccccc1)C(=O)CS2 ZINC000021146036 527672636 /nfs/dbraw/zinc/67/26/36/527672636.db2.gz TVLUCWCMXHNMHM-UHFFFAOYSA-N 1 1 425.554 2.778 50 0 IFAAMO Cc1ccc(F)c(NC(=O)c2coc(CN3CC[NH+](C[C@H](O)COC(C)(C)C)CC3)n2)c1 ZINC000034677338 555795823 /nfs/dbraw/zinc/79/58/23/555795823.db2.gz ZSBQEWIKRSHMAP-KRWDZBQOSA-N 1 1 448.539 2.668 50 0 IFAAMO COCCN(C[C@@H]1C[N@H+](C[C@H](O)C(C)C)CCO1)C(=O)c1cccc(C(F)(F)F)c1 ZINC000034691454 555804068 /nfs/dbraw/zinc/80/40/68/555804068.db2.gz LFWWSUFYDGEFMG-OALUTQOASA-N 1 1 432.483 2.512 50 0 IFAAMO COCCN(C[C@@H]1C[N@@H+](C[C@H](O)C(C)C)CCO1)C(=O)c1cccc(C(F)(F)F)c1 ZINC000034691454 555804070 /nfs/dbraw/zinc/80/40/70/555804070.db2.gz LFWWSUFYDGEFMG-OALUTQOASA-N 1 1 432.483 2.512 50 0 IFAAMO COCC[N@H+](Cc1ccc(OC)c(OC)c1)C[C@H](Oc1ccccc1)C(=O)NC1CC1 ZINC000034708054 555822419 /nfs/dbraw/zinc/82/24/19/555822419.db2.gz DMMKQBOZBSEHCD-QHCPKHFHSA-N 1 1 428.529 2.878 50 0 IFAAMO O=C(COc1ccc2nc3n(c(=O)c2c1)CCCCC3)N1CC[NH+](Cc2ccccc2)CC1 ZINC000013691173 556280706 /nfs/dbraw/zinc/28/07/06/556280706.db2.gz CLWNDWNQJPQXRJ-UHFFFAOYSA-N 1 1 446.551 2.846 50 0 IFAAMO C[C@@H]([NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccccc1Cl ZINC000032759348 556319106 /nfs/dbraw/zinc/31/91/06/556319106.db2.gz GPZYNFKEXAJXFN-OAHLLOKOSA-N 1 1 439.940 2.663 50 0 IFAAMO O=C(COc1ccccc1)NCCc1nnc2n1CC[N@H+](C/C=C/c1ccccc1)CC2 ZINC000011841529 556365401 /nfs/dbraw/zinc/36/54/01/556365401.db2.gz VEISISKXBNQIDG-JXMROGBWSA-N 1 1 431.540 2.587 50 0 IFAAMO CC[N@H+](CCC(=O)Nc1ccc(N2CCCC2=O)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000014122908 556372492 /nfs/dbraw/zinc/37/24/92/556372492.db2.gz JHMZTYPDXVJCMH-UHFFFAOYSA-N 1 1 433.512 2.901 50 0 IFAAMO CC[N@@H+](CCC(=O)Nc1ccc(N2CCCC2=O)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000014122908 556372494 /nfs/dbraw/zinc/37/24/94/556372494.db2.gz JHMZTYPDXVJCMH-UHFFFAOYSA-N 1 1 433.512 2.901 50 0 IFAAMO COc1cccc(C[N@@H+]2CCc3nnc([C@@H](C)NC(=O)COc4ccccc4)n3CC2)c1 ZINC000011881932 556373242 /nfs/dbraw/zinc/37/32/42/556373242.db2.gz NEQGEYPRCYACMP-GOSISDBHSA-N 1 1 435.528 2.601 50 0 IFAAMO COCCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)C[N@H+](Cc1ccccc1)C(C)C ZINC000014129414 556374552 /nfs/dbraw/zinc/37/45/52/556374552.db2.gz MTRYYOABXWHNIV-UHFFFAOYSA-N 1 1 447.557 2.808 50 0 IFAAMO COCCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)C[N@@H+](Cc1ccccc1)C(C)C ZINC000014129414 556374556 /nfs/dbraw/zinc/37/45/56/556374556.db2.gz MTRYYOABXWHNIV-UHFFFAOYSA-N 1 1 447.557 2.808 50 0 IFAAMO O=C(NCc1nnc2n1CC[N@H+](CC(c1ccccc1)c1ccccc1)CC2)[C@@H]1CCOC1 ZINC000012035518 556389572 /nfs/dbraw/zinc/38/95/72/556389572.db2.gz XIYDTSXJSWISKU-JOCHJYFZSA-N 1 1 445.567 2.621 50 0 IFAAMO Cc1cccc(C(=O)Nc2nc3c(s2)C(=O)C[C@H](C(=O)N2CCC[N@@H+](C)CC2)C3)c1C ZINC000012035111 556389576 /nfs/dbraw/zinc/38/95/76/556389576.db2.gz SVCMWQNBVZTMQD-MRXNPFEDSA-N 1 1 440.569 2.921 50 0 IFAAMO Cc1cccc(C(=O)Nc2nc3c(s2)C(=O)C[C@H](C(=O)N2CCC[N@H+](C)CC2)C3)c1C ZINC000012035111 556389578 /nfs/dbraw/zinc/38/95/78/556389578.db2.gz SVCMWQNBVZTMQD-MRXNPFEDSA-N 1 1 440.569 2.921 50 0 IFAAMO COC(=O)C1CCN(C[C@H](O)COc2ccc(C[NH2+]Cc3cccc(C)c3)cc2)CC1 ZINC000012058084 556394955 /nfs/dbraw/zinc/39/49/55/556394955.db2.gz NNMBOJWKOHSTOR-QHCPKHFHSA-N 1 1 426.557 2.910 50 0 IFAAMO Cn1c(SCC(=O)NCC2([NH+]3CCOCC3)CCCCC2)nnc1-c1ccc(F)cc1 ZINC000014639178 556430773 /nfs/dbraw/zinc/43/07/73/556430773.db2.gz OHUHFZDVYKHHPJ-UHFFFAOYSA-N 1 1 447.580 2.865 50 0 IFAAMO O=C1C[N@H+](C2Cc3ccccc3C2)C[C@@H](OCc2ccccn2)CN1CC1CCOCC1 ZINC000014745749 556441137 /nfs/dbraw/zinc/44/11/37/556441137.db2.gz PORQEKLWYSNXIV-RUZDIDTESA-N 1 1 435.568 2.705 50 0 IFAAMO COCc1ccc(CN2CCC3(CC2)C(=O)N(CC[NH+](C)C)C(=O)N3CCC(C)C)o1 ZINC000014747704 556441991 /nfs/dbraw/zinc/44/19/91/556441991.db2.gz AYAPWQBTYRRIII-UHFFFAOYSA-N 1 1 434.581 2.633 50 0 IFAAMO C[NH+](C)CCNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C[N@@H+](Cc2ccccc2)C1 ZINC000014749237 556442635 /nfs/dbraw/zinc/44/26/35/556442635.db2.gz MRLAHQUFCRKXSG-BJKOFHAPSA-N 1 1 448.611 2.930 50 0 IFAAMO CCOC(=O)c1cnn(-c2cc(=O)n(C)c3ccccc23)c1C[NH2+]CCn1nc(C)cc1C ZINC000014882041 556454033 /nfs/dbraw/zinc/45/40/33/556454033.db2.gz IPSFFIZHTJOIGW-UHFFFAOYSA-N 1 1 448.527 2.504 50 0 IFAAMO O=C(CSc1nncn1CCc1cccs1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000028842244 556462412 /nfs/dbraw/zinc/46/24/12/556462412.db2.gz UOOJIQJCHURGAF-UHFFFAOYSA-N 1 1 449.646 2.826 50 0 IFAAMO CC(C)[C@H](CNC(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1)[NH+]1CCN(C)CC1 ZINC000072281864 556463176 /nfs/dbraw/zinc/46/31/76/556463176.db2.gz DPJOVLJXDKVDAV-IBGZPJMESA-N 1 1 438.601 2.998 50 0 IFAAMO COCc1c(C(=O)NCC[C@@H]2CCC[N@H+]2C)cnn1-c1nccc(-c2cccs2)n1 ZINC000014982341 556471342 /nfs/dbraw/zinc/47/13/42/556471342.db2.gz YDCRZRKRFJAGNR-HNNXBMFYSA-N 1 1 426.546 2.751 50 0 IFAAMO COCc1c(C(=O)NCC[C@H]2CCC[N@H+]2C)cnn1-c1nccc(-c2cccs2)n1 ZINC000014982343 556471771 /nfs/dbraw/zinc/47/17/71/556471771.db2.gz YDCRZRKRFJAGNR-OAHLLOKOSA-N 1 1 426.546 2.751 50 0 IFAAMO COc1cc(OC)c(C[N@H+]2CCc3nnc([C@H](CC(C)C)NC(C)=O)n3CC2)c(OC)c1 ZINC000014993638 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2.757 50 0 IFAAMO CC[NH+]1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)CC1 ZINC000015919208 556563635 /nfs/dbraw/zinc/56/36/35/556563635.db2.gz RKNJENQBPATLNV-UHFFFAOYSA-N 1 1 437.949 2.684 50 0 IFAAMO CCc1cc2c(cc3c(=O)n(CC(=O)NCCC[N@@H+]4C[C@H](C)C[C@H](C)C4)ncn23)s1 ZINC000005131632 556639135 /nfs/dbraw/zinc/63/91/35/556639135.db2.gz DBXRBZHNQFLVLG-IYBDPMFKSA-N 1 1 429.590 2.757 50 0 IFAAMO CC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1C)C[C@H](O)COC ZINC000248012900 556655803 /nfs/dbraw/zinc/65/58/03/556655803.db2.gz JQDYTOHLOJDEGP-AZUAARDMSA-N 1 1 432.586 2.891 50 0 IFAAMO C[C@H]1C[N@H+](C2CCN(C(=O)[C@H]3CCCN3C(=O)C34CC5CC(CC(C5)C3)C4)CC2)CCO1 ZINC000251834627 556688993 /nfs/dbraw/zinc/68/89/93/556688993.db2.gz PVWOENMPGHRDFU-URZWWHBSSA-N 1 1 443.632 2.906 50 0 IFAAMO CC[N@@H+]1CCC[C@H]1CN(CCC(=O)N1CCNCC1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000045966763 556689043 /nfs/dbraw/zinc/68/90/43/556689043.db2.gz YLYCTLOSBIRFDM-QFIPXVFZSA-N 1 1 428.621 2.733 50 0 IFAAMO CC[N@H+]1CCC[C@H]1CN(CCC(=O)N1CCNCC1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000045966763 556689046 /nfs/dbraw/zinc/68/90/46/556689046.db2.gz YLYCTLOSBIRFDM-QFIPXVFZSA-N 1 1 428.621 2.733 50 0 IFAAMO O=C(c1csnn1)N1CCC[C@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000055042106 556732357 /nfs/dbraw/zinc/73/23/57/556732357.db2.gz CSNQLPRZLQONKP-INIZCTEOSA-N 1 1 425.480 2.984 50 0 IFAAMO O=C(NCCc1nnc2n1CC[N@H+](Cc1ccc(OC(F)(F)F)cc1)CC2)c1ccoc1 ZINC000019300048 556734969 /nfs/dbraw/zinc/73/49/69/556734969.db2.gz RNBRKYWJKVJLTB-UHFFFAOYSA-N 1 1 449.433 2.801 50 0 IFAAMO O=C(CN1CCOCC1)Nc1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000078985032 556737343 /nfs/dbraw/zinc/73/73/43/556737343.db2.gz BPIDWRKLBUXXAI-JOCHJYFZSA-N 1 1 440.519 2.700 50 0 IFAAMO O=C(CN1CCOCC1)Nc1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000078985032 556737344 /nfs/dbraw/zinc/73/73/44/556737344.db2.gz BPIDWRKLBUXXAI-JOCHJYFZSA-N 1 1 440.519 2.700 50 0 IFAAMO Cn1nc2c(c1C(=O)N1CCC[C@H]([NH+]3CCN(c4ccccc4F)CC3)C1)CCCC2 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ZINC000022942667 557053818 /nfs/dbraw/zinc/05/38/18/557053818.db2.gz BOLVXGMIEUNXPG-DNQXCXABSA-N 1 1 442.600 2.609 50 0 IFAAMO Cc1ccc(C)c(OC[C@H](O)CN2CC[NH+](C[C@H](O)COc3cc(C)ccc3C)CC2)c1 ZINC000022942635 557053903 /nfs/dbraw/zinc/05/39/03/557053903.db2.gz JBTLCKCVJHHEIW-PSWAGMNNSA-N 1 1 442.600 2.717 50 0 IFAAMO Cc1ccc(C)c(OC[C@H](O)C[NH+]2CCN(C[C@H](O)COc3cc(C)ccc3C)CC2)c1 ZINC000022942635 557053907 /nfs/dbraw/zinc/05/39/07/557053907.db2.gz JBTLCKCVJHHEIW-PSWAGMNNSA-N 1 1 442.600 2.717 50 0 IFAAMO CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000017357990 557063782 /nfs/dbraw/zinc/06/37/82/557063782.db2.gz WZTRSNCKIUEUQK-UHFFFAOYSA-N 1 1 443.613 2.994 50 0 IFAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)CN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000048375021 557076381 /nfs/dbraw/zinc/07/63/81/557076381.db2.gz MNYWZSXBBHNLQT-HDICACEKSA-N 1 1 426.561 2.645 50 0 IFAAMO O=C(c1ccc(F)cc1)N1CCC[C@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000023359271 557087339 /nfs/dbraw/zinc/08/73/39/557087339.db2.gz GTJHWDBIRDXEQZ-NRFANRHFSA-N 1 1 425.504 2.977 50 0 IFAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)[C@H]1CCC(=O)N(CCc2cccc(F)c2)C1 ZINC000023367012 557088378 /nfs/dbraw/zinc/08/83/78/557088378.db2.gz IBIQKFRBLUUYCY-NRFANRHFSA-N 1 1 445.579 2.758 50 0 IFAAMO CN(C)c1ncc(C[N@H+]2CCC[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)s1 ZINC000023375081 557088622 /nfs/dbraw/zinc/08/86/22/557088622.db2.gz KYGROXJYROIEMT-IBGZPJMESA-N 1 1 443.617 2.720 50 0 IFAAMO Cc1cccc(C[N@H+]2CCc3nc(C)n(CC(=O)Nc4ccc5c(c4)OCO5)c(=O)c3C2)c1 ZINC000049400941 557096667 /nfs/dbraw/zinc/09/66/67/557096667.db2.gz KFTNYUMOJDAUJI-UHFFFAOYSA-N 1 1 446.507 2.786 50 0 IFAAMO COc1ccc([C@@H](C)NC(=O)Cn2c(C)nc3c(c2=O)C[N@@H+](Cc2ccccc2)CC3)cc1 ZINC000049400893 557096696 /nfs/dbraw/zinc/09/66/96/557096696.db2.gz IOZZBKVOHKDJOZ-GOSISDBHSA-N 1 1 446.551 2.996 50 0 IFAAMO COc1ccccc1[C@@H](CNC(=O)CCc1c(C)nc2nc(SC)nn2c1C)[NH+](C)C ZINC000023737051 557112047 /nfs/dbraw/zinc/11/20/47/557112047.db2.gz XJXUJMXRHAIUOJ-GOSISDBHSA-N 1 1 442.589 2.823 50 0 IFAAMO O=C(CCC1CCN(C(=O)c2csnn2)CC1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000023232077 557119596 /nfs/dbraw/zinc/11/95/96/557119596.db2.gz HHQCRUZCPDPQCK-IBGZPJMESA-N 1 1 427.574 2.561 50 0 IFAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2c(c1)[nH]c(=O)n(CCc1ccccc1)c2=O ZINC000004791845 557125398 /nfs/dbraw/zinc/12/53/98/557125398.db2.gz MZDHPJAHNFASNQ-IBGZPJMESA-N 1 1 448.567 2.927 50 0 IFAAMO C[C@H](C(=O)N1CCC(Cc2ccccc2)CC1)[N@@H+]1CCCN(CC(=O)NC(C)(C)C)CC1 ZINC000024746797 557161318 /nfs/dbraw/zinc/16/13/18/557161318.db2.gz DBVLTJXOHYJYEA-OAQYLSRUSA-N 1 1 442.648 2.779 50 0 IFAAMO C[C@H](C(=O)N1CCC(Cc2ccccc2)CC1)[N@H+]1CCCN(CC(=O)NC(C)(C)C)CC1 ZINC000024746797 557161322 /nfs/dbraw/zinc/16/13/22/557161322.db2.gz DBVLTJXOHYJYEA-OAQYLSRUSA-N 1 1 442.648 2.779 50 0 IFAAMO Cc1ccc(S(=O)(=O)N2CCC[N@H+](CCC(=O)N[C@@H](C)c3ccccc3)CC2)cc1 ZINC000024954798 557182417 /nfs/dbraw/zinc/18/24/17/557182417.db2.gz QYYCGFMITJNPFQ-FQEVSTJZSA-N 1 1 429.586 2.959 50 0 IFAAMO COc1cccc(-c2cc(C(=O)N(CCC(=O)N3CC[NH+](C)CC3)CC(C)C)no2)c1 ZINC000096210473 557183300 /nfs/dbraw/zinc/18/33/00/557183300.db2.gz ZOFQXQUNIFMQSC-UHFFFAOYSA-N 1 1 428.533 2.613 50 0 IFAAMO O=C(CN1CC[NH+](CCO)CC1)N[C@@H]1Cc2cc(Cl)ccc2Sc2ccccc21 ZINC000096235385 557185332 /nfs/dbraw/zinc/18/53/32/557185332.db2.gz NNBUVIDQCALOBO-LJQANCHMSA-N 1 1 431.989 2.815 50 0 IFAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000583648146 557241160 /nfs/dbraw/zinc/24/11/60/557241160.db2.gz IBJUFGNQYYAZML-VABKMULXSA-N 1 1 427.589 2.775 50 0 IFAAMO C[NH+](C)[C@H](CNc1c(=O)c(=O)c1N1CCN(c2cccc(Cl)c2)CC1)c1ccccc1 ZINC000101703659 557294267 /nfs/dbraw/zinc/29/42/67/557294267.db2.gz TVSMCRVHIJCDOC-HXUWFJFHSA-N 1 1 438.959 2.977 50 0 IFAAMO O=C(C[C@H]1N[C@@H]2CCCC[C@H]2NC1=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000101961982 557297366 /nfs/dbraw/zinc/29/73/66/557297366.db2.gz CXEOPBGOOGVGNI-WXFUMESZSA-N 1 1 446.595 2.710 50 0 IFAAMO Cc1ccc(CNc2nn3c(nc(C[NH+]4CCN(c5ccccc5)CC4)cc3=O)[nH]2)cc1 ZINC000101795992 557298673 /nfs/dbraw/zinc/29/86/73/557298673.db2.gz NHLYPJVRBHCDBV-UHFFFAOYSA-N 1 1 429.528 2.660 50 0 IFAAMO O=C(NCCCN1CCN(c2ccc(F)cc2)CC1)[C@@H]1CCCN(c2cc[nH+]cc2)C1 ZINC000033128875 557324894 /nfs/dbraw/zinc/32/48/94/557324894.db2.gz NAWKGNYKJBIAIU-HXUWFJFHSA-N 1 1 425.552 2.766 50 0 IFAAMO COc1ccc(-c2cc(N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)n3ncnc3n2)cc1 ZINC000023460312 557360260 /nfs/dbraw/zinc/36/02/60/557360260.db2.gz WRLPGHDGPWHLGL-UHFFFAOYSA-N 1 1 444.495 2.851 50 0 IFAAMO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000033487597 557401767 /nfs/dbraw/zinc/40/17/67/557401767.db2.gz BAXNPHCJDDZYGS-QHCPKHFHSA-N 1 1 441.597 2.883 50 0 IFAAMO CCC1=C(C(=O)OC)[C@@H](c2ccccc2)N2C(CC(=O)N3CC[NH+](C)CC3)=CSC2=N1 ZINC000103297000 557433784 /nfs/dbraw/zinc/43/37/84/557433784.db2.gz VGOBPUPRQQPPBR-OAQYLSRUSA-N 1 1 440.569 2.989 50 0 IFAAMO O=C(C[NH+]1CCC(C(=O)N2CCCCCC2)CC1)Nc1ccc(CN2CCOCC2)cc1 ZINC000024572541 557459541 /nfs/dbraw/zinc/45/95/41/557459541.db2.gz SNVGSJUJHJHYCI-UHFFFAOYSA-N 1 1 442.604 2.572 50 0 IFAAMO CN(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000024574588 557459550 /nfs/dbraw/zinc/45/95/50/557459550.db2.gz JWUDIHVFZJRIKT-UHFFFAOYSA-N 1 1 441.597 2.530 50 0 IFAAMO CCOC(=O)C1=C(C[N@H+]2CCC[C@@H](C(=O)OCC)C2)N(C)C(=O)N[C@@H]1c1cccc(C)c1 ZINC000104938642 557466177 /nfs/dbraw/zinc/46/61/77/557466177.db2.gz YDBZETRABPAECM-WIYYLYMNSA-N 1 1 443.544 2.783 50 0 IFAAMO CCOC(=O)C1=C(C[N@@H+]2CCC[C@@H](C(=O)OCC)C2)N(C)C(=O)N[C@@H]1c1cccc(C)c1 ZINC000104938642 557466179 /nfs/dbraw/zinc/46/61/79/557466179.db2.gz YDBZETRABPAECM-WIYYLYMNSA-N 1 1 443.544 2.783 50 0 IFAAMO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CC[N@@H+](C)C[C@H]3c3ccccc3)C2)s1 ZINC000105667670 557509724 /nfs/dbraw/zinc/50/97/24/557509724.db2.gz XDVVXMGOSHQEGQ-UXHICEINSA-N 1 1 447.626 2.973 50 0 IFAAMO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CC[N@H+](C)C[C@H]3c3ccccc3)C2)s1 ZINC000105667670 557509727 /nfs/dbraw/zinc/50/97/27/557509727.db2.gz XDVVXMGOSHQEGQ-UXHICEINSA-N 1 1 447.626 2.973 50 0 IFAAMO O=C1C[C@@H]([NH+]2CCC(n3nnc(-c4cccs4)n3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000025174444 557528831 /nfs/dbraw/zinc/52/88/31/557528831.db2.gz OOZLTEIVRDKUQV-MRXNPFEDSA-N 1 1 426.477 2.510 50 0 IFAAMO C[C@H](C(=O)NCCN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000106637485 557531094 /nfs/dbraw/zinc/53/10/94/557531094.db2.gz KCGHMMOJZYXEQA-NZHPJOHYSA-N 1 1 445.541 2.829 50 0 IFAAMO C[C@@H]1C[N@H+](CCCNC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2O)C[C@H](C)O1 ZINC000106928624 557533620 /nfs/dbraw/zinc/53/36/20/557533620.db2.gz XIPZRANJHIAQPA-KGVIQGDOSA-N 1 1 439.556 2.766 50 0 IFAAMO Cn1ncc2c1ncnc2SCC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000025000629 557830990 /nfs/dbraw/zinc/83/09/90/557830990.db2.gz PRGDCWAFRBIZGU-UHFFFAOYSA-N 1 1 432.553 2.953 50 0 IFAAMO C[C@H]1C[C@H](C)C[NH+](Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2Cl)C1 ZINC000006531074 562947191 /nfs/dbraw/zinc/94/71/91/562947191.db2.gz JBFWJJPWKGSFID-GJZGRUSLSA-N 1 1 429.952 2.613 50 0 IFAAMO C[NH+](C)[C@H](CNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)c1ccco1 ZINC000013011286 562984096 /nfs/dbraw/zinc/98/40/96/562984096.db2.gz QEHUFKSOFSGAJV-HXUWFJFHSA-N 1 1 427.526 2.791 50 0 IFAAMO COc1ccc(NC(=S)N2CCC([N@@H+](C)CCN3CCOCC3)CC2)cc1Cl ZINC000019360109 563022569 /nfs/dbraw/zinc/02/25/69/563022569.db2.gz UXESFSIBJIJWNX-UHFFFAOYSA-N 1 1 427.014 2.774 50 0 IFAAMO CCN1CC[NH+](CCCNC(=O)c2cc3c(s2)c2ccccc2n(CC)c3=O)CC1 ZINC000020286323 563024356 /nfs/dbraw/zinc/02/43/56/563024356.db2.gz RONLMBSAVQKFDD-UHFFFAOYSA-N 1 1 426.586 2.994 50 0 IFAAMO CCOC(=O)N1CCC([N@H+]2CCC[C@H](N3CCN(c4ccccc4OC)CC3)C2)CC1 ZINC000023373517 568613727 /nfs/dbraw/zinc/61/37/27/568613727.db2.gz MMJNFGBDIGEEEV-NRFANRHFSA-N 1 1 430.593 2.903 50 0 IFAAMO Cn1c(C[NH+]2CCC(C(=O)N3CCN(C(=O)c4ccccc4)CC3)CC2)nc2ccccc21 ZINC000247721613 568632060 /nfs/dbraw/zinc/63/20/60/568632060.db2.gz BBHUWXJLXOIGNR-UHFFFAOYSA-N 1 1 445.567 2.770 50 0 IFAAMO COc1ccc(C(=O)N2CC[NH+](CCC(=O)NCc3ccccc3Cl)CC2)cc1OC ZINC000025338663 568653915 /nfs/dbraw/zinc/65/39/15/568653915.db2.gz NZKRFOCDTOEXJO-UHFFFAOYSA-N 1 1 445.947 2.822 50 0 IFAAMO CN(C[C@@H]1CCCC[N@H+]1C)C(=O)C[C@]1(c2ccccc2)CC(=O)N(Cc2ccncc2)C1=O ZINC000299762055 568755878 /nfs/dbraw/zinc/75/58/78/568755878.db2.gz RALZBRCSGHYPSD-BKMJKUGQSA-N 1 1 448.567 2.611 50 0 IFAAMO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1Cc2cccc(-c3ccc(S(C)(=O)=O)cc3)c2O1 ZINC000299762088 568756019 /nfs/dbraw/zinc/75/60/19/568756019.db2.gz RHVQUPIUFCVEJG-GHTZIAJQSA-N 1 1 428.554 2.661 50 0 IFAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccccc1 ZINC000263585424 568759150 /nfs/dbraw/zinc/75/91/50/568759150.db2.gz IJUXQFRPWFPVRR-YCSHWKNNSA-N 1 1 427.589 2.946 50 0 IFAAMO COc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(C(=O)Nc4ccccc4)CC3)C2=O)cc1OC ZINC000015470114 568784491 /nfs/dbraw/zinc/78/44/91/568784491.db2.gz DCFRMWMLSMFAJU-LJQANCHMSA-N 1 1 437.496 2.686 50 0 IFAAMO Cc1ccccc1C[NH+]1CCN(C(=O)CN(C)CC(=O)Nc2ccc(F)c(F)c2F)CC1 ZINC000015479983 568787141 /nfs/dbraw/zinc/78/71/41/568787141.db2.gz FUSYPKKLHBJMFJ-UHFFFAOYSA-N 1 1 448.489 2.627 50 0 IFAAMO C[C@H](CCN1CCN(C(=O)c2cccs2)CC1)[NH+]1CCN(C(=O)c2cccs2)CC1 ZINC000084637247 568799394 /nfs/dbraw/zinc/79/93/94/568799394.db2.gz PPRQEODLOQWFPL-GOSISDBHSA-N 1 1 446.642 2.804 50 0 IFAAMO C[C@H](CC[NH+]1CCN(C(=O)c2cccs2)CC1)N1CCN(C(=O)c2cccs2)CC1 ZINC000084637247 568799397 /nfs/dbraw/zinc/79/93/97/568799397.db2.gz PPRQEODLOQWFPL-GOSISDBHSA-N 1 1 446.642 2.804 50 0 IFAAMO CCn1ccc2cc(S(=O)(=O)N3CCC(C(=O)NC[C@H]4CCC[N@H+]4CC)CC3)ccc21 ZINC000015784260 568827089 /nfs/dbraw/zinc/82/70/89/568827089.db2.gz KGELEVYYRWMHMO-HXUWFJFHSA-N 1 1 446.617 2.662 50 0 IFAAMO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1)c1cc2ccccc2o1 ZINC000575621715 568883087 /nfs/dbraw/zinc/88/30/87/568883087.db2.gz RQMUBFYHAAUVMO-GOSISDBHSA-N 1 1 441.509 2.667 50 0 IFAAMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)C1 ZINC000239164807 568910620 /nfs/dbraw/zinc/91/06/20/568910620.db2.gz MYIJCHMIRGSJHK-PBHICJAKSA-N 1 1 436.350 2.661 50 0 IFAAMO CCN(CC)C(=O)[C@@H]1CCC[N@H+]([C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)C1 ZINC000239164807 568910621 /nfs/dbraw/zinc/91/06/21/568910621.db2.gz MYIJCHMIRGSJHK-PBHICJAKSA-N 1 1 436.350 2.661 50 0 IFAAMO COc1ccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@@H+]4[C@]4(C(=O)Nc5c4cccc5Cl)[C@H]3C2=O)cc1 ZINC000245246503 568913494 /nfs/dbraw/zinc/91/34/94/568913494.db2.gz NBEZVFUWBMAGIP-JFNLIGNMSA-N 1 1 437.883 2.780 50 0 IFAAMO COc1ccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@H+]4[C@]4(C(=O)Nc5c4cccc5Cl)[C@H]3C2=O)cc1 ZINC000245246503 568913496 /nfs/dbraw/zinc/91/34/96/568913496.db2.gz NBEZVFUWBMAGIP-JFNLIGNMSA-N 1 1 437.883 2.780 50 0 IFAAMO C[C@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064775965 568954918 /nfs/dbraw/zinc/95/49/18/568954918.db2.gz PLKCRDVLLYZKTF-GOSISDBHSA-N 1 1 429.524 2.794 50 0 IFAAMO O[C@H](CN1CCOCC1)C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036147108 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/nfs/dbraw/zinc/07/94/90/569079490.db2.gz HOMAKEKWZQNOIW-NRFANRHFSA-N 1 1 449.507 2.932 50 0 IFAAMO Cc1ccc(C2=NN(C(=O)C[NH+]3CCC(C(N)=O)CC3)[C@H](c3ccc4c(c3)OCO4)C2)cc1 ZINC000036342644 569079519 /nfs/dbraw/zinc/07/95/19/569079519.db2.gz BSTRGAWOOJDNGY-NRFANRHFSA-N 1 1 448.523 2.599 50 0 IFAAMO CC[NH+]1CCN(c2cc3c(cc2S(=O)(=O)N(C)C)C(=O)Nc2cc(C)ccc2O3)CC1 ZINC000064986704 569082184 /nfs/dbraw/zinc/08/21/84/569082184.db2.gz VLMQVZKDIJAKKN-UHFFFAOYSA-N 1 1 444.557 2.745 50 0 IFAAMO O=C(NCCC[NH+]1CCOCC1)[C@@H]1CCc2sc(C(=O)N3CCCCCC3)cc2C1 ZINC000065273125 569129277 /nfs/dbraw/zinc/12/92/77/569129277.db2.gz NZZCJDIDSFPFNW-GOSISDBHSA-N 1 1 433.618 2.708 50 0 IFAAMO COc1cccc(CC(=O)N2CCC[N@@H+]([C@@H]3CCN(Cc4ccc(F)cc4)C3=O)CC2)c1 ZINC000065293281 569130900 /nfs/dbraw/zinc/13/09/00/569130900.db2.gz ZEWFTESVIHIOGT-HSZRJFAPSA-N 1 1 439.531 2.712 50 0 IFAAMO COc1cccc(CC(=O)N2CCC[N@H+]([C@@H]3CCN(Cc4ccc(F)cc4)C3=O)CC2)c1 ZINC000065293281 569130902 /nfs/dbraw/zinc/13/09/02/569130902.db2.gz 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O=C(C1CCC(Cn2nnc3ccccc3c2=O)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020412050 569364178 /nfs/dbraw/zinc/36/41/78/569364178.db2.gz ZZICPWHSWMHUCI-UHFFFAOYSA-N 1 1 445.567 2.942 50 0 IFAAMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Nc3ccc(C[C@H]4NC(=O)NC4=O)cc3)cc2)C1 ZINC000095456112 569368700 /nfs/dbraw/zinc/36/87/00/569368700.db2.gz ALBLZTDCLVJBTB-HTAPYJJXSA-N 1 1 449.555 2.991 50 0 IFAAMO O=C([C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCc2c(ncn2CCc2ccccc2)C1 ZINC000095456440 569368862 /nfs/dbraw/zinc/36/88/62/569368862.db2.gz WATFFVFYPJIFJR-RUZDIDTESA-N 1 1 430.552 2.912 50 0 IFAAMO O=C([C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCc2c(ncn2CCc2ccccc2)C1 ZINC000095456440 569368863 /nfs/dbraw/zinc/36/88/63/569368863.db2.gz WATFFVFYPJIFJR-RUZDIDTESA-N 1 1 430.552 2.912 50 0 IFAAMO COc1ccc(S(=O)(=O)N2CC(N[C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]34)C2)cc1 ZINC000095945441 569375965 /nfs/dbraw/zinc/37/59/65/569375965.db2.gz ZSWVYSLTRKUOJU-VEXUSMLFSA-N 1 1 441.597 2.568 50 0 IFAAMO 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/nfs/dbraw/zinc/56/11/21/569561121.db2.gz FCIYPIXHLMWPSM-KRWDZBQOSA-N 1 1 429.952 2.900 50 0 IFAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)Cn2nc(Cc3ccncc3)c3ccccc3c2=O)C1 ZINC000009860828 569571922 /nfs/dbraw/zinc/57/19/22/569571922.db2.gz UDOGNDZKYGLRSR-LJQANCHMSA-N 1 1 433.556 2.621 50 0 IFAAMO CCCCn1c(N)c(N(C(=O)C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)C2CCCC2)c(=O)[nH]c1=O ZINC000009949542 569574245 /nfs/dbraw/zinc/57/42/45/569574245.db2.gz KNQIJHJGMGDGQA-HKUYNNGSSA-N 1 1 445.608 2.849 50 0 IFAAMO CC[N@@H+]1CCN2c3cccc(Cl)c3C[C@]3(C(=O)NC(=O)N(c4ccccc4)C3=O)[C@@H]2C1 ZINC000009215808 132309412 /nfs/dbraw/zinc/30/94/12/132309412.db2.gz IIWDOUYSHMKYQW-WMZHIEFXSA-N 1 1 438.915 2.676 50 0 IFAAMO CC[N@H+]1CCN2c3cccc(Cl)c3C[C@]3(C(=O)NC(=O)N(c4ccccc4)C3=O)[C@@H]2C1 ZINC000009215808 132309413 /nfs/dbraw/zinc/30/94/13/132309413.db2.gz IIWDOUYSHMKYQW-WMZHIEFXSA-N 1 1 438.915 2.676 50 0 IFAAMO CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)Cc2ccccc2)c1 ZINC000009285743 132312482 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CCc1ccccc1N(CC(=O)N1CC[NH+](CC)CC1)S(=O)(=O)c1ccc(C)cc1 ZINC000020363217 557011899 /nfs/dbraw/zinc/01/18/99/557011899.db2.gz HSLCIPJCJUAPDK-UHFFFAOYSA-N 1 1 429.586 2.917 50 0 IFAAMO COc1cc(C(=O)N[C@@H](C)[C@H](c2cccs2)N2CC[NH+](C)CC2)cc(OC)c1OC ZINC000023181018 557045004 /nfs/dbraw/zinc/04/50/04/557045004.db2.gz ZCMQJXCCVGNOGG-MGPUTAFESA-N 1 1 433.574 2.881 50 0 IFAAMO CCc1ccc(OC[C@H](O)C[NH+]2CCN(C[C@H](O)COc3ccc(CC)cc3)CC2)cc1 ZINC000022942674 557054389 /nfs/dbraw/zinc/05/43/89/557054389.db2.gz BOLVXGMIEUNXPG-PSWAGMNNSA-N 1 1 442.600 2.609 50 0 IFAAMO CCc1ccc(OC[C@H](O)CN2CC[NH+](C[C@H](O)COc3ccc(CC)cc3)CC2)cc1 ZINC000022942674 557054392 /nfs/dbraw/zinc/05/43/92/557054392.db2.gz BOLVXGMIEUNXPG-PSWAGMNNSA-N 1 1 442.600 2.609 50 0 IFAAMO Cc1cccc(C[NH+]2CCN(C(=O)NC[C@@H](c3cccs3)N3CCOCC3)CC2)c1 ZINC000023105569 557063371 /nfs/dbraw/zinc/06/33/71/557063371.db2.gz KTKUNOKUGJUQJJ-NRFANRHFSA-N 1 1 428.602 2.957 50 0 IFAAMO CCC1(CC)NC(=O)N(CC(=O)NCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)C1=O ZINC000048361823 557073258 /nfs/dbraw/zinc/07/32/58/557073258.db2.gz RZABDNFLVJVIAW-HDICACEKSA-N 1 1 428.577 2.891 50 0 IFAAMO CCCCN(C(=O)C[N@H+]1CCC[C@@H]2CCC[C@@H](C)[C@@H]21)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000048361662 557073637 /nfs/dbraw/zinc/07/36/37/557073637.db2.gz WFTCTBMYTZPMNR-AOIWGVFYSA-N 1 1 433.597 2.563 50 0 IFAAMO Cc1ccc(S(=O)(=O)c2cnc(N3CC[NH+](C4CCCCC4)CC3)nc2N)cc1C ZINC000033301927 557083574 /nfs/dbraw/zinc/08/35/74/557083574.db2.gz NKJPZLLTFWHPFV-UHFFFAOYSA-N 1 1 429.590 2.963 50 0 IFAAMO COc1ccccc1[C@H](CNC(=O)CCc1c(C)nc2nc(SC)nn2c1C)[NH+](C)C ZINC000023737054 557112278 /nfs/dbraw/zinc/11/22/78/557112278.db2.gz XJXUJMXRHAIUOJ-SFHVURJKSA-N 1 1 442.589 2.823 50 0 IFAAMO C[C@@H]([NH2+]CC(=O)NCCSc1ccc(Cl)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000049609535 557115564 /nfs/dbraw/zinc/11/55/64/557115564.db2.gz RAFQSOHWNCEOLP-CYBMUJFWSA-N 1 1 427.979 2.547 50 0 IFAAMO Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NCC(C)(C)N2CCOCC2)cc1 ZINC000017854340 557126186 /nfs/dbraw/zinc/12/61/86/557126186.db2.gz JOFHUQIERCCPPU-UHFFFAOYSA-N 1 1 431.558 2.636 50 0 IFAAMO NC(=O)c1ccc(OCC(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1 ZINC000089787639 557127438 /nfs/dbraw/zinc/12/74/38/557127438.db2.gz CVJYDLCZCAYBNP-UHFFFAOYSA-N 1 1 446.345 2.708 50 0 IFAAMO CC(C)[C@@H](CNC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1)[NH+]1CCOCC1 ZINC000024758411 557163624 /nfs/dbraw/zinc/16/36/24/557163624.db2.gz QYPDCIZKPHNWTB-JOCHJYFZSA-N 1 1 425.529 2.682 50 0 IFAAMO NC(=O)[C@@H]1[C@@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000247716887 557208338 /nfs/dbraw/zinc/20/83/38/557208338.db2.gz NWANDGFJGLFONL-BDXSIMOUSA-N 1 1 428.275 2.994 50 0 IFAAMO NC(=O)[C@@H]1[C@@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000247716887 557208343 /nfs/dbraw/zinc/20/83/43/557208343.db2.gz NWANDGFJGLFONL-BDXSIMOUSA-N 1 1 428.275 2.994 50 0 IFAAMO 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448.523 2.871 50 0 IFAAMO CC(C)[N@@H+](CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)Cc1ccccc1 ZINC000014129412 557308210 /nfs/dbraw/zinc/30/82/10/557308210.db2.gz UGNVCKCGURHLAP-UHFFFAOYSA-N 1 1 431.558 2.557 50 0 IFAAMO CCOC(=O)C1=C(C[N@H+]2CCC[C@@H](C(=O)OCC)C2)N(CC)C(=O)N[C@@H]1c1ccccc1 ZINC000104939573 557466032 /nfs/dbraw/zinc/46/60/32/557466032.db2.gz SWAYBVRZRWRULQ-WIYYLYMNSA-N 1 1 443.544 2.865 50 0 IFAAMO CCOC(=O)C1=C(C[N@@H+]2CCC[C@@H](C(=O)OCC)C2)N(CC)C(=O)N[C@@H]1c1ccccc1 ZINC000104939573 557466035 /nfs/dbraw/zinc/46/60/35/557466035.db2.gz SWAYBVRZRWRULQ-WIYYLYMNSA-N 1 1 443.544 2.865 50 0 IFAAMO COc1ccc([C@H](CNC(=O)C[N@H+]2CCC[C@@H](C(N)=O)C2)c2c[nH]c3ccccc32)cc1 ZINC000013128794 557521362 /nfs/dbraw/zinc/52/13/62/557521362.db2.gz SOWFAYDYJAUDDB-NQIIRXRSSA-N 1 1 434.540 2.622 50 0 IFAAMO O=C(c1ccc(Cn2nnc3ccccc3c2=O)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000149803799 557522885 /nfs/dbraw/zinc/52/28/85/557522885.db2.gz TWFMDTXMBPQUAR-UHFFFAOYSA-N 1 1 439.519 2.798 50 0 IFAAMO CCc1ccc(N2C(=O)C[C@H]([NH+]3CCC(n4nnc(-c5cccs5)n4)CC3)C2=O)cc1 ZINC000025174510 557528742 /nfs/dbraw/zinc/52/87/42/557528742.db2.gz GJQADHRXOFQAMQ-SFHVURJKSA-N 1 1 436.541 2.933 50 0 IFAAMO C[C@H](C(=O)NCCN1C(=O)S/C(=C\c2ccc3c(c2)OCO3)C1=O)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000106637482 557531026 /nfs/dbraw/zinc/53/10/26/557531026.db2.gz KCGHMMOJZYXEQA-QFAYOBOISA-N 1 1 445.541 2.829 50 0 IFAAMO Cc1sc2nc(CN3CCOCC3)nc(N3CCC[C@H]3C[N@H+]3CCC[C@H]3CO)c2c1C ZINC000106924729 557533638 /nfs/dbraw/zinc/53/36/38/557533638.db2.gz WKNMYJDJDRXGTD-OALUTQOASA-N 1 1 445.633 2.566 50 0 IFAAMO C[N@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)C2CCOCC2)C1 ZINC000225767931 557774948 /nfs/dbraw/zinc/77/49/48/557774948.db2.gz SWQLGKBVXBXXBE-TZIWHRDSSA-N 1 1 446.592 2.682 50 0 IFAAMO CCCCn1c(N)c(N(C(=O)C[N@H+]2CCC[C@@H]3CCCC[C@H]32)C2CCCC2)c(=O)[nH]c1=O ZINC000229980119 557834669 /nfs/dbraw/zinc/83/46/69/557834669.db2.gz KNQIJHJGMGDGQA-PKOBYXMFSA-N 1 1 445.608 2.849 50 0 IFAAMO CC[NH+]1CCN(C(=O)c2cc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)ccc2Cl)CC1 ZINC000008315688 562949154 /nfs/dbraw/zinc/94/91/54/562949154.db2.gz FVXFWTLQBCZYEH-HOTGVXAUSA-N 1 1 427.998 2.784 50 0 IFAAMO COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)O[C@H]2CCC[N@H+](C)C2)cc1OC ZINC000036383627 563094238 /nfs/dbraw/zinc/09/42/38/563094238.db2.gz KCYGLJHIQOKFQT-HNNXBMFYSA-N 1 1 434.514 2.756 50 0 IFAAMO COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)O[C@H]2CCC[N@@H+](C)C2)cc1OC ZINC000036383627 563094239 /nfs/dbraw/zinc/09/42/39/563094239.db2.gz KCYGLJHIQOKFQT-HNNXBMFYSA-N 1 1 434.514 2.756 50 0 IFAAMO CCC(=O)N1c2ccccc2C[C@@H]1C(=O)NCC[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000059552641 563146615 /nfs/dbraw/zinc/14/66/15/563146615.db2.gz UQZAONGDGGVXQY-XMMPIXPASA-N 1 1 434.584 2.910 50 0 IFAAMO CCC(=O)N1c2ccccc2C[C@H]1C(=O)NCC[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000059552643 563146624 /nfs/dbraw/zinc/14/66/24/563146624.db2.gz UQZAONGDGGVXQY-DEOSSOPVSA-N 1 1 434.584 2.910 50 0 IFAAMO Cc1ccc(N(CC(=O)N2CC[NH+](C)CC2)S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000032121420 568781683 /nfs/dbraw/zinc/78/16/83/568781683.db2.gz OQQWSKHHUJMUJI-UHFFFAOYSA-N 1 1 435.977 2.926 50 0 IFAAMO CC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@@H+]4[C@@]4(c5ccc(C)c(C)c5NC4=O)[C@H]3C2=O)cc1 ZINC000248378747 568782342 /nfs/dbraw/zinc/78/23/42/568782342.db2.gz KLOXZHXCWFWBAU-BPUGDSSMSA-N 1 1 443.503 2.937 50 0 IFAAMO CC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@H+]4[C@@]4(c5ccc(C)c(C)c5NC4=O)[C@H]3C2=O)cc1 ZINC000248378747 568782343 /nfs/dbraw/zinc/78/23/43/568782343.db2.gz KLOXZHXCWFWBAU-BPUGDSSMSA-N 1 1 443.503 2.937 50 0 IFAAMO C[C@H]1C[C@H](CCNC(=O)c2ccccc2CN2C(=O)CNC2=O)C[N@H+]1Cc1ccccc1 ZINC000084686445 568799790 /nfs/dbraw/zinc/79/97/90/568799790.db2.gz ZJZMXILVFRBZTR-ICSRJNTNSA-N 1 1 434.540 2.769 50 0 IFAAMO CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2cc(C3CC3)nn2[C@H]2CCS(=O)(=O)C2)c1 ZINC000084760880 568801057 /nfs/dbraw/zinc/80/10/57/568801057.db2.gz FSRWKVMOAWPLPH-IBGZPJMESA-N 1 1 445.589 2.894 50 0 IFAAMO C[NH+](C)CCNc1nc2c(S(=O)(=O)c3cccc(Cl)c3)nnn2c2ccsc21 ZINC000085393419 568817294 /nfs/dbraw/zinc/81/72/94/568817294.db2.gz OPCORIDDPHJQCD-UHFFFAOYSA-N 1 1 436.950 2.799 50 0 IFAAMO CCOc1ccccc1CN1CC[N@H+](Cc2ccc(N3CCNC3=O)cc2)C[C@H]1CCO ZINC000107100178 568837451 /nfs/dbraw/zinc/83/74/51/568837451.db2.gz XZVGROKWGSROOG-HSZRJFAPSA-N 1 1 438.572 2.684 50 0 IFAAMO CCOc1ccccc1CN1CC[N@@H+](Cc2ccc(N3CCNC3=O)cc2)C[C@H]1CCO ZINC000107100178 568837453 /nfs/dbraw/zinc/83/74/53/568837453.db2.gz XZVGROKWGSROOG-HSZRJFAPSA-N 1 1 438.572 2.684 50 0 IFAAMO C[NH+]1CCN(C(=O)CCn2c3ccccc3c3c2-c2nc4ccccc4c(=O)n2CC3)CC1 ZINC000085875997 568838192 /nfs/dbraw/zinc/83/81/92/568838192.db2.gz KYLFKXRYNOYVHL-UHFFFAOYSA-N 1 1 441.535 2.738 50 0 IFAAMO Cc1cccc(NC(=O)C[NH+]2CCC(N3c4ccccc4N(C)S3(=O)=O)CC2)c1C ZINC000575414225 568860992 /nfs/dbraw/zinc/86/09/92/568860992.db2.gz ZXEKMKSWIDLXLU-UHFFFAOYSA-N 1 1 428.558 2.908 50 0 IFAAMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)CCN3c4ccccc4O[C@@H](C)C3=O)c2)CCO1 ZINC000227618612 568886315 /nfs/dbraw/zinc/88/63/15/568886315.db2.gz 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/nfs/dbraw/zinc/36/37/29/569363729.db2.gz OJBZUOMBHSYDSV-NRFANRHFSA-N 1 1 431.558 2.975 50 0 IFAAMO CC[NH+]1CCN(C(=O)Cn2ncc3c(C)n(Cc4ccc(Cl)cc4)c(C)c3c2=O)CC1 ZINC000020417198 569364916 /nfs/dbraw/zinc/36/49/16/569364916.db2.gz UDNUHRZPDNXOCC-UHFFFAOYSA-N 1 1 441.963 2.681 50 0 IFAAMO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000095430481 569366077 /nfs/dbraw/zinc/36/60/77/569366077.db2.gz NCSHHLFIFHJFRV-NQIIRXRSSA-N 1 1 430.593 2.952 50 0 IFAAMO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000095440472 569366534 /nfs/dbraw/zinc/36/65/34/569366534.db2.gz JMTUGGAQWNWTJQ-TXEJJXNPSA-N 1 1 441.903 2.578 50 0 IFAAMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Nc3ccc(C[C@H]4NC(=O)NC4=O)cc3)cc2)C1 ZINC000095456111 569368666 /nfs/dbraw/zinc/36/86/66/569368666.db2.gz ALBLZTDCLVJBTB-VGOFRKELSA-N 1 1 449.555 2.991 50 0 IFAAMO Cc1ccc(C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1S(=O)(=O)NCc1ccccc1 ZINC000095466515 569370954 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O=C(NCCc1nnc2n1CC[N@H+](Cc1ccc(C(F)(F)F)cc1)CC2)c1ccco1 ZINC000020999393 526464790 /nfs/dbraw/zinc/46/47/90/526464790.db2.gz MDGFHGIJMQOSSH-UHFFFAOYSA-N 1 1 433.434 2.921 50 0 IFAAMO O=C(NCCc1nnc2n1CC[N@H+](Cc1ccc3ccccc3c1)CC2)C1CCOCC1 ZINC000020774368 526465600 /nfs/dbraw/zinc/46/56/00/526465600.db2.gz LSOXIIJEPFFBSO-UHFFFAOYSA-N 1 1 433.556 2.575 50 0 IFAAMO O=C(C[N@H+]1CCC[C@H]1c1cccs1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000012686918 526760754 /nfs/dbraw/zinc/76/07/54/526760754.db2.gz NKFPTUPIGVBLKN-IBGZPJMESA-N 1 1 433.599 2.559 50 0 IFAAMO O=C(c1cn(Cc2ccc(F)cc2Cl)nn1)N1CCCC[C@@H]1CC[NH+]1CCOCC1 ZINC000020453684 526865394 /nfs/dbraw/zinc/86/53/94/526865394.db2.gz FUUMNESYRUQOKS-GOSISDBHSA-N 1 1 435.931 2.836 50 0 IFAAMO CN1CCc2c(sc3nc(N4CC[NH+](C)CC4)n(-c4ccc(Cl)cc4)c(=O)c23)C1 ZINC000002429170 536426120 /nfs/dbraw/zinc/42/61/20/536426120.db2.gz OPWNSIFFKPUVMZ-UHFFFAOYSA-N 1 1 429.977 2.840 50 0 IFAAMO CN(C)c1nc(N2CC[NH+](C)CC2)nc2c1CN(C(=O)c1ccc(C(F)(F)F)cc1)CC2 ZINC000034676730 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50 0 IFAAMO COCC(=O)N[C@@H](CC(C)C)c1nnc2n1CC[N@H+](C/C=C/c1ccc(OC)cc1)CC2 ZINC000012034467 556389224 /nfs/dbraw/zinc/38/92/24/556389224.db2.gz TWKDMDRFLQEBCD-LYSGITKLSA-N 1 1 441.576 2.708 50 0 IFAAMO O=C(NCCc1c[nH]cn1)[C@@H]1C[C@H](COc2cccc(F)c2)C[N@H+](Cc2ccncc2)C1 ZINC000014731489 556436779 /nfs/dbraw/zinc/43/67/79/556436779.db2.gz NFKGUNYLCMLCRM-VQTJNVASSA-N 1 1 437.519 2.820 50 0 IFAAMO O=C(NCCc1cnc[nH]1)[C@@H]1C[C@H](COc2cccc(F)c2)C[N@@H+](Cc2ccncc2)C1 ZINC000014731489 556436783 /nfs/dbraw/zinc/43/67/83/556436783.db2.gz NFKGUNYLCMLCRM-VQTJNVASSA-N 1 1 437.519 2.820 50 0 IFAAMO O=C(NCCc1cnc[nH]1)[C@@H]1C[C@H](COc2cccc(F)c2)C[N@H+](Cc2ccncc2)C1 ZINC000014731489 556436785 /nfs/dbraw/zinc/43/67/85/556436785.db2.gz NFKGUNYLCMLCRM-VQTJNVASSA-N 1 1 437.519 2.820 50 0 IFAAMO CCN(CC)C(=O)CO[C@H]1CN(Cc2ccc(OC)cc2)C(=O)C[N@H+](C2CCCC2)C1 ZINC000014744267 556439943 /nfs/dbraw/zinc/43/99/43/556439943.db2.gz YEZIKEHPHUKPLC-JOCHJYFZSA-N 1 1 431.577 2.536 50 0 IFAAMO 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556479417 /nfs/dbraw/zinc/47/94/17/556479417.db2.gz CHESJNXBFMHMAB-UHFFFAOYSA-N 1 1 446.511 2.554 50 0 IFAAMO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CC[N@@H+](C)C[C@@H]3c3ccccc3)C2)s1 ZINC000030030737 556489842 /nfs/dbraw/zinc/48/98/42/556489842.db2.gz XDVVXMGOSHQEGQ-WOJBJXKFSA-N 1 1 447.626 2.973 50 0 IFAAMO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CC[N@H+](C)C[C@@H]3c3ccccc3)C2)s1 ZINC000030030737 556489845 /nfs/dbraw/zinc/48/98/45/556489845.db2.gz XDVVXMGOSHQEGQ-WOJBJXKFSA-N 1 1 447.626 2.973 50 0 IFAAMO O[C@@H](COCc1ccco1)C[N@H+](Cc1ccc(F)cc1)C[C@H](O)COCc1ccco1 ZINC000013149396 556491009 /nfs/dbraw/zinc/49/10/09/556491009.db2.gz UCWAFPKSDIPGHA-OYRHEFFESA-N 1 1 433.476 2.969 50 0 IFAAMO COc1cc(CN2CCCN(C(C)=O)CC2)ccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000015070256 556495319 /nfs/dbraw/zinc/49/53/19/556495319.db2.gz SSFOGFHGCHOPNK-QHCPKHFHSA-N 1 1 447.620 2.754 50 0 IFAAMO COc1ccc(C(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1S(=O)(=O)NC1CCCC1 ZINC000013165034 556497736 /nfs/dbraw/zinc/49/77/36/556497736.db2.gz RNFCQZZUFREQQI-QGZVFWFLSA-N 1 1 435.546 2.542 50 0 IFAAMO COc1ccc(C[N@H+](C)[C@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc1OC ZINC000015298090 556516450 /nfs/dbraw/zinc/51/64/50/556516450.db2.gz LTTBTXVKVDATDH-GFCCVEGCSA-N 1 1 439.434 2.696 50 0 IFAAMO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc1OC ZINC000015298090 556516453 /nfs/dbraw/zinc/51/64/53/556516453.db2.gz LTTBTXVKVDATDH-GFCCVEGCSA-N 1 1 439.434 2.696 50 0 IFAAMO C[C@](O)(CNC(=O)c1cc2ccccc2n1Cc1ccccc1F)C[NH+]1CCOCC1 ZINC000072306610 556557949 /nfs/dbraw/zinc/55/79/49/556557949.db2.gz XCIJVHLQCPPDCN-DEOSSOPVSA-N 1 1 425.504 2.642 50 0 IFAAMO Cc1nc(N2CCCCC2)cc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)[nH+]1 ZINC000033318394 556560823 /nfs/dbraw/zinc/56/08/23/556560823.db2.gz MRSDCCWSNYPFKY-UHFFFAOYSA-N 1 1 435.981 2.940 50 0 IFAAMO C[C@H](C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)N1CCN(c2[nH+]ccn2C)CC1 ZINC000072308100 556563679 /nfs/dbraw/zinc/56/36/79/556563679.db2.gz CNRLAVPQHBGYAO-CYBMUJFWSA-N 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CC[NH+]1CCN(C(=O)[C@H]2c3cc(OC)c(OC)cc3C(=O)N3CCc4ccccc4[C@H]23)CC1 ZINC000020208905 563024024 /nfs/dbraw/zinc/02/40/24/563024024.db2.gz XCRDAZGCMFSDHJ-BJKOFHAPSA-N 1 1 449.551 2.705 50 0 IFAAMO COc1ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)c(OC[C@H](O)CN2CCN(C)CC2)c1 ZINC000023374183 568613905 /nfs/dbraw/zinc/61/39/05/568613905.db2.gz ARAJWOQHCJQICH-OJNXCIKNSA-N 1 1 443.632 2.741 50 0 IFAAMO CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000025407376 568657695 /nfs/dbraw/zinc/65/76/95/568657695.db2.gz HQFJQXMCDAKBOI-KHYOSLBOSA-N 1 1 425.520 2.723 50 0 IFAAMO CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000025407376 568657698 /nfs/dbraw/zinc/65/76/98/568657698.db2.gz HQFJQXMCDAKBOI-KHYOSLBOSA-N 1 1 425.520 2.723 50 0 IFAAMO CN(C[C@H]1CCCC[N@H+]1C)C(=O)C[C@]1(c2ccccc2)CC(=O)N(Cc2ccncc2)C1=O ZINC000299761086 568755671 /nfs/dbraw/zinc/75/56/71/568755671.db2.gz RALZBRCSGHYPSD-ATIYNZHBSA-N 1 1 448.567 2.611 50 0 IFAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccccc1 ZINC000263585425 568759099 /nfs/dbraw/zinc/75/90/99/568759099.db2.gz IJUXQFRPWFPVRR-ZPFZUWPUSA-N 1 1 427.589 2.946 50 0 IFAAMO O=C(CCc1nnc(-c2ccsc2)o1)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000084535864 568798612 /nfs/dbraw/zinc/79/86/12/568798612.db2.gz ALVCIIDTNGGTRL-IEBWSBKVSA-N 1 1 426.542 2.730 50 0 IFAAMO COCCCN(C[C@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)C1CCC(Cn2cnnn2)CC1 ZINC000583652737 568837749 /nfs/dbraw/zinc/83/77/49/568837749.db2.gz JMSFYYLVOKFYCM-XABBQPORSA-N 1 1 432.613 2.609 50 0 IFAAMO COC(=O)c1ccc(OC)c(S(=O)(=O)NC[C@@H](c2cc3ccccc3o2)[NH+](C)C)c1 ZINC000575618735 568882135 /nfs/dbraw/zinc/88/21/35/568882135.db2.gz BYLKSJAYBYEZHI-INIZCTEOSA-N 1 1 432.498 2.809 50 0 IFAAMO COCCN(C[C@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)CCn1cnc2ccccc2c1=O ZINC000583652712 568889576 /nfs/dbraw/zinc/88/95/76/568889576.db2.gz RBJPGCBXVMWHJB-DENIHFKCSA-N 1 1 426.561 2.526 50 0 IFAAMO CC1CCN(C2=CC(=O)N(c3ccc(C(=O)NCC[N@H+]4CCCC[C@H]4C)cc3)C2=O)CC1 ZINC000064567214 568933408 /nfs/dbraw/zinc/93/34/08/568933408.db2.gz AEERFANHNQXOAF-LJQANCHMSA-N 1 1 438.572 2.780 50 0 IFAAMO COc1ccc(OC[C@H](O)C[N@H+](CCN2CCOCC2)Cc2ccc(F)cc2F)cc1 ZINC000036104016 568952882 /nfs/dbraw/zinc/95/28/82/568952882.db2.gz UIZWNMWNYUJZQP-HXUWFJFHSA-N 1 1 436.499 2.548 50 0 IFAAMO COc1ccc(OC[C@H](O)C[N@@H+](CCN2CCOCC2)Cc2ccc(F)cc2F)cc1 ZINC000036104016 568952884 /nfs/dbraw/zinc/95/28/84/568952884.db2.gz UIZWNMWNYUJZQP-HXUWFJFHSA-N 1 1 436.499 2.548 50 0 IFAAMO CCC[N@@H+](Cc1nc(=O)c2c(C)c(C(=O)OCC)sc2[nH]1)C[C@H](O)COC(C)(C)C ZINC000036206689 568972871 /nfs/dbraw/zinc/97/28/71/568972871.db2.gz DGOHFRKDDOKUIM-AWEZNQCLSA-N 1 1 439.578 2.858 50 0 IFAAMO CCC[N@H+](Cc1nc(=O)c2c(C)c(C(=O)OCC)sc2[nH]1)C[C@H](O)COC(C)(C)C ZINC000036206689 568972873 /nfs/dbraw/zinc/97/28/73/568972873.db2.gz DGOHFRKDDOKUIM-AWEZNQCLSA-N 1 1 439.578 2.858 50 0 IFAAMO CC(C)[NH+]1CCN(C(=O)c2ccc3c(c2)n(Cc2ccccc2)c(=O)c2ccnn23)CC1 ZINC000169681192 568991787 /nfs/dbraw/zinc/99/17/87/568991787.db2.gz SDMNKMNJQJPEDZ-UHFFFAOYSA-N 1 1 429.524 2.864 50 0 IFAAMO COc1ccc(C2=NN(C(=O)C[NH+]3CCC(C(N)=O)CC3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000036342316 569079279 /nfs/dbraw/zinc/07/92/79/569079279.db2.gz IQCYQYZETSXYPC-QFIPXVFZSA-N 1 1 438.503 2.709 50 0 IFAAMO COc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2C(=O)CN2CC[NH+](C)CC2)c(OC)c1 ZINC000036344193 569080030 /nfs/dbraw/zinc/08/00/30/569080030.db2.gz ZVHILCKGTRMXLW-JOCHJYFZSA-N 1 1 440.519 2.768 50 0 IFAAMO COC(=O)c1ccc(COc2coc(CN3CC[NH+](Cc4ccccc4)CC3)cc2=O)o1 ZINC000036357719 569085169 /nfs/dbraw/zinc/08/51/69/569085169.db2.gz ZNUPAUUMMDIYNJ-UHFFFAOYSA-N 1 1 438.480 2.916 50 0 IFAAMO COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000036390162 569096531 /nfs/dbraw/zinc/09/65/31/569096531.db2.gz QSWNRXUFUBCOEN-LEWJYISDSA-N 1 1 433.508 2.848 50 0 IFAAMO CC1CCN(C(=O)c2cc3c(s2)CC[C@H](C(=O)NCCC[NH+]2CCOCC2)C3)CC1 ZINC000065272612 569129098 /nfs/dbraw/zinc/12/90/98/569129098.db2.gz ZWAIFACWKNHSNJ-SFHVURJKSA-N 1 1 433.618 2.564 50 0 IFAAMO O=C(NCCC[NH+]1CCOCC1)[C@H]1CCc2sc(C(=O)N3CCCCCC3)cc2C1 ZINC000065273124 569129216 /nfs/dbraw/zinc/12/92/16/569129216.db2.gz NZZCJDIDSFPFNW-SFHVURJKSA-N 1 1 433.618 2.708 50 0 IFAAMO OCC[NH+]1CCN(c2nc3c(cnn3-c3ccc(Cl)cc3)c(N3CCCCC3)n2)CC1 ZINC000036656938 569130228 /nfs/dbraw/zinc/13/02/28/569130228.db2.gz AFHWPVIQSITAOV-UHFFFAOYSA-N 1 1 441.967 2.574 50 0 IFAAMO CC[C@H]1CN(C(=O)CNC(=O)c2ccc(Br)o2)CC[N@H+]1Cc1ccccc1 ZINC000170595195 569141407 /nfs/dbraw/zinc/14/14/07/569141407.db2.gz AJNYFPKKAZQJMR-INIZCTEOSA-N 1 1 434.334 2.895 50 0 IFAAMO COc1ccc(C(=O)N(C)CC[N@@H+](C)C2CC2)cc1S(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000170598370 569142252 /nfs/dbraw/zinc/14/22/52/569142252.db2.gz YTYHGMANRURMIF-CALCHBBNSA-N 1 1 437.606 2.528 50 0 IFAAMO Cc1ccc(CNC(=O)c2nnc(C[NH2+][C@H]3CCCC[C@H]3N3CCOCC3)s2)cc1 ZINC000170607323 569144147 /nfs/dbraw/zinc/14/41/47/569144147.db2.gz CANHCYARAAUXHR-RBUKOAKNSA-N 1 1 429.590 2.510 50 0 IFAAMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000250641347 569157247 /nfs/dbraw/zinc/15/72/47/569157247.db2.gz FGBQNOJFUILOMV-FPOVZHCZSA-N 1 1 445.560 2.617 50 0 IFAAMO O=C(Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)N1CCN(Cc2cccnc2)CC1 ZINC000089794014 569164035 /nfs/dbraw/zinc/16/40/35/569164035.db2.gz URDOWNLOFGYSBT-UHFFFAOYSA-N 1 1 448.571 2.718 50 0 IFAAMO C[C@@H](O)C[N@@H+]1CCN(C(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)C[C@@H]1C ZINC000089939154 569168286 /nfs/dbraw/zinc/16/82/86/569168286.db2.gz KMMNOWGASBKASI-UONOGXRCSA-N 1 1 448.917 2.884 50 0 IFAAMO C[C@@H](O)C[N@H+]1CCN(C(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)C[C@@H]1C ZINC000089939154 569168288 /nfs/dbraw/zinc/16/82/88/569168288.db2.gz KMMNOWGASBKASI-UONOGXRCSA-N 1 1 448.917 2.884 50 0 IFAAMO CCC[C@H](C(=O)OCC)[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000089949428 569168697 /nfs/dbraw/zinc/16/86/97/569168697.db2.gz GCGFHEPKAAPXBJ-CEXWTWQISA-N 1 1 439.597 2.946 50 0 IFAAMO COCC[N@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H]2CCCO2)C[C@H]1C ZINC000252503483 569188127 /nfs/dbraw/zinc/18/81/27/569188127.db2.gz VDKDZQUEIAPUKF-IRLDBZIGSA-N 1 1 443.592 2.810 50 0 IFAAMO C[N@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C2CCOCC2)C1 ZINC000252550654 569191078 /nfs/dbraw/zinc/19/10/78/569191078.db2.gz SWQLGKBVXBXXBE-CTNGQTDRSA-N 1 1 446.592 2.682 50 0 IFAAMO C[N@H+](C[C@H](O)COc1ccc(Cl)cc1Br)[C@H]1CCC[C@H]1S(C)(=O)=O ZINC000252675354 569210295 /nfs/dbraw/zinc/21/02/95/569210295.db2.gz TVOVFUMLBFCUFG-DUVNUKRYSA-N 1 1 440.787 2.740 50 0 IFAAMO C[N@@H+](C[C@H](O)COc1ccc(Cl)cc1Br)[C@H]1CCC[C@H]1S(C)(=O)=O ZINC000252675354 569210296 /nfs/dbraw/zinc/21/02/96/569210296.db2.gz TVOVFUMLBFCUFG-DUVNUKRYSA-N 1 1 440.787 2.740 50 0 IFAAMO O=C(CSc1nnnn1-c1cccc(Cl)c1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012980157 569305822 /nfs/dbraw/zinc/30/58/22/569305822.db2.gz BGKMWDXXVUXLJG-QGZVFWFLSA-N 1 1 428.949 2.799 50 0 IFAAMO CNS(=O)(=O)c1cc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1F ZINC000079054124 569323493 /nfs/dbraw/zinc/32/34/93/569323493.db2.gz WGXOMGVFFROYDG-JXFKEZNVSA-N 1 1 433.549 2.716 50 0 IFAAMO CC[NH+]1CCN(C(=O)[C@H]2c3ccccc3C(=O)N3CCc4cc(OC)c(OC)cc4[C@@H]23)CC1 ZINC000020153414 569353533 /nfs/dbraw/zinc/35/35/33/569353533.db2.gz SZHJEXUDCQAYQR-ZEQRLZLVSA-N 1 1 449.551 2.705 50 0 IFAAMO Cc1c(NC(=O)NCCC[NH+]2CCOCC2)sc2nc3n(c(=O)c12)CC[C@@H](C)CC3 ZINC000020385530 569363005 /nfs/dbraw/zinc/36/30/05/569363005.db2.gz OVTVJQRGPAZMHO-AWEZNQCLSA-N 1 1 433.578 2.583 50 0 IFAAMO CC[N@H+]1CCC[C@H]1CNC(=O)Cn1ncc2c(C)n(Cc3ccccc3F)c(C)c2c1=O ZINC000020417523 569365040 /nfs/dbraw/zinc/36/50/40/569365040.db2.gz KEVUAKOVBPWMON-IBGZPJMESA-N 1 1 439.535 2.603 50 0 IFAAMO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000095430480 569366189 /nfs/dbraw/zinc/36/61/89/569366189.db2.gz NCSHHLFIFHJFRV-GHTZIAJQSA-N 1 1 430.593 2.952 50 0 IFAAMO CC(=O)c1cc2c(cc1NC(=O)[C@@H]1C[C@@H]3CCC[N@@H+]3[C@]13c1ccccc1NC3=O)OCO2 ZINC000020513298 569370312 /nfs/dbraw/zinc/37/03/12/569370312.db2.gz LXBLBBMTEWXEOZ-ZSCHSRKISA-N 1 1 433.464 2.888 50 0 IFAAMO CC(=O)c1cc2c(cc1NC(=O)[C@@H]1C[C@@H]3CCC[N@H+]3[C@]13c1ccccc1NC3=O)OCO2 ZINC000020513298 569370313 /nfs/dbraw/zinc/37/03/13/569370313.db2.gz LXBLBBMTEWXEOZ-ZSCHSRKISA-N 1 1 433.464 2.888 50 0 IFAAMO Cc1ccc(Cl)cc1N(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)S(C)(=O)=O ZINC000095481501 569374044 /nfs/dbraw/zinc/37/40/44/569374044.db2.gz KXQGADCIKNZSHN-UHFFFAOYSA-N 1 1 435.977 2.759 50 0 IFAAMO O=S(=O)(c1cccc(C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)c1)N1CCOCC1 ZINC000095966259 569377378 /nfs/dbraw/zinc/37/73/78/569377378.db2.gz BIHCYRFBVILJSU-IBGZPJMESA-N 1 1 436.599 2.950 50 0 IFAAMO O=S(=O)(c1cccc(C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)c1)N1CCOCC1 ZINC000095966259 569377380 /nfs/dbraw/zinc/37/73/80/569377380.db2.gz BIHCYRFBVILJSU-IBGZPJMESA-N 1 1 436.599 2.950 50 0 IFAAMO 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Cc1c(O[C@H](C)C(=O)NCCC[NH+]2CCOCC2)ccc2c3c(c(=O)oc12)CCCC3 ZINC000020548039 525882489 /nfs/dbraw/zinc/88/24/89/525882489.db2.gz AZOVYCDVNXOSLN-QGZVFWFLSA-N 1 1 428.529 2.586 50 0 IFAAMO C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CN1CCC[N@H+](CC(=O)NC(C)(C)C)CC1 ZINC000022799569 526177059 /nfs/dbraw/zinc/17/70/59/526177059.db2.gz LLZYFHLYTCGFCH-KRWDZBQOSA-N 1 1 445.633 2.738 50 0 IFAAMO C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CN1CCC[N@@H+](CC(=O)NC(C)(C)C)CC1 ZINC000022799569 526177067 /nfs/dbraw/zinc/17/70/67/526177067.db2.gz LLZYFHLYTCGFCH-KRWDZBQOSA-N 1 1 445.633 2.738 50 0 IFAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)o1 ZINC000035423399 526250002 /nfs/dbraw/zinc/25/00/02/526250002.db2.gz KXXLUSIGEGLTKZ-KRWDZBQOSA-N 1 1 433.512 2.895 50 0 IFAAMO O=C(C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1)N1CCN(c2ccccn2)CC1 ZINC000040926776 526305629 /nfs/dbraw/zinc/30/56/29/526305629.db2.gz AHBSZOHIKPZVBJ-UHFFFAOYSA-N 1 1 432.528 2.692 50 0 IFAAMO O=C(CCCn1c(=O)c2cccn2c2cccnc21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020512811 526469939 /nfs/dbraw/zinc/46/99/39/526469939.db2.gz UTJWTEBDWLNJOC-UHFFFAOYSA-N 1 1 429.524 2.774 50 0 IFAAMO O=C([C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000021554699 526472448 /nfs/dbraw/zinc/47/24/48/526472448.db2.gz JLZBSOJZQWDVQD-NRFANRHFSA-N 1 1 447.988 2.838 50 0 IFAAMO O=C(CCc1nnc(Cc2ccc3c(c2)OCO3)o1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020601060 526666055 /nfs/dbraw/zinc/66/60/55/526666055.db2.gz DEWJSYBWKMEQEC-UHFFFAOYSA-N 1 1 434.496 2.666 50 0 IFAAMO O=C(c1ccc2[nH]c(=O)c(=O)[nH]c2c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020573549 526717474 /nfs/dbraw/zinc/71/74/74/526717474.db2.gz IIOISWUYQUPOOW-UHFFFAOYSA-N 1 1 440.503 2.764 50 0 IFAAMO O=C(COC(=O)c1ccc(-n2cccc2)cc1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000023732120 526913332 /nfs/dbraw/zinc/91/33/32/526913332.db2.gz VGCDCSQXYJROCV-UHFFFAOYSA-N 1 1 425.529 2.785 50 0 IFAAMO Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)Nc3ccc4c(c3)OCCO4)CC2)[nH+]1 ZINC000021795876 526964443 /nfs/dbraw/zinc/96/44/43/526964443.db2.gz KOBHSKCUVJRTLR-UHFFFAOYSA-N 1 1 438.532 2.901 50 0 IFAAMO O=C1C[C@@H](N2CC[NH+](Cc3cccs3)CC2)C(=O)N1c1ccccc1Br ZINC000022848403 527017726 /nfs/dbraw/zinc/01/77/26/527017726.db2.gz AOXGWTMOOFRERN-QGZVFWFLSA-N 1 1 434.359 2.960 50 0 IFAAMO NC(=O)c1ccc(N2CCC(CCC(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)nc1 ZINC000012386425 527055895 /nfs/dbraw/zinc/05/58/95/527055895.db2.gz ZCSLFOKWWZIWIZ-QFIPXVFZSA-N 1 1 435.572 2.568 50 0 IFAAMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)c1nnc(Cc2ccc(F)cc2)o1 ZINC000020488607 527668107 /nfs/dbraw/zinc/66/81/07/527668107.db2.gz CMMXPXJXCHITMK-UHFFFAOYSA-N 1 1 437.519 2.737 50 0 IFAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc(NC(=O)N2CCSc3ncccc32)cc1 ZINC000020565044 527671993 /nfs/dbraw/zinc/67/19/93/527671993.db2.gz KCWARGAVIIDZAT-UHFFFAOYSA-N 1 1 441.557 2.678 50 0 IFAAMO CCCC[N@@H+](C)CCNC(=O)[C@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 ZINC000006936252 535223868 /nfs/dbraw/zinc/22/38/68/535223868.db2.gz QTEXHRBSNBCQPH-SFHVURJKSA-N 1 1 427.597 2.617 50 0 IFAAMO Cc1c(C(=O)Nc2ccccc2F)nnn1-c1cccc2c1CCN(c1nc(N)cc[nH+]1)C2 ZINC000071890374 555744165 /nfs/dbraw/zinc/74/41/65/555744165.db2.gz WDNKERRWSQHEQQ-UHFFFAOYSA-N 1 1 444.474 2.902 50 0 IFAAMO O=C(COc1ccc(Cl)cc1)N1CCO[C@H](C[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000034667059 555791319 /nfs/dbraw/zinc/79/13/19/555791319.db2.gz CXVJDXBOKUUQRB-JOCHJYFZSA-N 1 1 429.948 2.768 50 0 IFAAMO C[NH+]1CCN(c2nc(N3CCCC3)nc3c2CN(C(=O)c2ccccc2Cl)CC3)CC1 ZINC000034676925 555794975 /nfs/dbraw/zinc/79/49/75/555794975.db2.gz OKRMWKXJECHAKT-UHFFFAOYSA-N 1 1 440.979 2.681 50 0 IFAAMO Cc1ccc(F)c(NC(=O)c2coc(CN3CC[NH+](C[C@@H](O)COC(C)(C)C)CC3)n2)c1 ZINC000034677339 555795628 /nfs/dbraw/zinc/79/56/28/555795628.db2.gz ZSBQEWIKRSHMAP-QGZVFWFLSA-N 1 1 448.539 2.668 50 0 IFAAMO CC(C)OC[C@H](O)C[N@H+]1CCCN(c2ccc(NC(=O)c3cc(F)cc(F)c3)cn2)CC1 ZINC000034682313 555816071 /nfs/dbraw/zinc/81/60/71/555816071.db2.gz WGIYNCYLCDMSNZ-OAQYLSRUSA-N 1 1 448.514 2.910 50 0 IFAAMO COCC[N@H+](Cc1ccc(OC)c(OC)c1)C[C@@H](Oc1ccccc1)C(=O)NC1CC1 ZINC000034708055 555822460 /nfs/dbraw/zinc/82/24/60/555822460.db2.gz DMMKQBOZBSEHCD-HSZRJFAPSA-N 1 1 428.529 2.878 50 0 IFAAMO COc1cccc(Oc2nc(N3CC[NH+](C)CC3)nc3c2CN(Cc2ccncc2)CC3)c1 ZINC000034755571 555900511 /nfs/dbraw/zinc/90/05/11/555900511.db2.gz MBUYFHUEBLVHCT-UHFFFAOYSA-N 1 1 446.555 2.983 50 0 IFAAMO COc1ccc(C)cc1C[NH+]1CCN(CN2C(=O)NC3(C2=O)[C@@H](C)CCC[C@@H]3C)CC1 ZINC000097601707 556274833 /nfs/dbraw/zinc/27/48/33/556274833.db2.gz XDFPZLPFHSBSES-OALUTQOASA-N 1 1 428.577 2.825 50 0 IFAAMO NC(=O)C1CCN(C(=O)C2CC[NH+](Cc3c(F)cccc3Br)CC2)CC1 ZINC000013880108 556325385 /nfs/dbraw/zinc/32/53/85/556325385.db2.gz ALIPJFWNSADIIL-UHFFFAOYSA-N 1 1 426.330 2.524 50 0 IFAAMO C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000022919930 556340182 /nfs/dbraw/zinc/34/01/82/556340182.db2.gz JQBGZHXHXXLVKY-OAQYLSRUSA-N 1 1 438.572 2.547 50 0 IFAAMO CCn1nc(C)c(C[NH2+]Cc2c(C(=O)N3C[C@@H](C)O[C@@H](C)C3)nc3sccn23)c1C ZINC000011753555 556348852 /nfs/dbraw/zinc/34/88/52/556348852.db2.gz ZXUGUTXRCVQDCK-OKILXGFUSA-N 1 1 430.578 2.768 50 0 IFAAMO COC(=O)C1CCN(C[C@@H](O)COc2cccc(C[NH2+]Cc3ccc(F)cc3)c2)CC1 ZINC000011841832 556365552 /nfs/dbraw/zinc/36/55/52/556365552.db2.gz OKZGPYIBFGQNHM-JOCHJYFZSA-N 1 1 430.520 2.740 50 0 IFAAMO C/C=C(\C)C[N@@H+]1C[C@@H](n2cc(C(=O)OC)nn2)C[C@H]1C(=O)NCCc1cccc(Cl)c1 ZINC000011967342 556382183 /nfs/dbraw/zinc/38/21/83/556382183.db2.gz QYSHFGQRIAGUIM-KHYDFDAGSA-N 1 1 445.951 2.659 50 0 IFAAMO C/C=C(\C)C[N@H+]1C[C@@H](n2cc(C(=O)OC)nn2)C[C@H]1C(=O)NCCc1cccc(Cl)c1 ZINC000011967342 556382187 /nfs/dbraw/zinc/38/21/87/556382187.db2.gz QYSHFGQRIAGUIM-KHYDFDAGSA-N 1 1 445.951 2.659 50 0 IFAAMO CC(C)[C@@H](NS(C)(=O)=O)c1nnc2n1CC[N@H+](Cc1ccccc1-c1ccco1)CC2 ZINC000011995393 556383833 /nfs/dbraw/zinc/38/38/33/556383833.db2.gz GKBQCBHVPJENBP-OAQYLSRUSA-N 1 1 443.573 2.843 50 0 IFAAMO O=C([C@@H]1CCC[N@@H+](Cc2nc(Cc3cccc(C(F)(F)F)c3)no2)C1)N1CCOCC1 ZINC000012031288 556388943 /nfs/dbraw/zinc/38/89/43/556388943.db2.gz CRIJXQYTOBDCGW-MRXNPFEDSA-N 1 1 438.450 2.750 50 0 IFAAMO O=C([C@@H]1CCC[N@H+](Cc2nc(Cc3cccc(C(F)(F)F)c3)no2)C1)N1CCOCC1 ZINC000012031288 556388945 /nfs/dbraw/zinc/38/89/45/556388945.db2.gz CRIJXQYTOBDCGW-MRXNPFEDSA-N 1 1 438.450 2.750 50 0 IFAAMO O=C(NCc1nnc2n1CC[N@H+](CC(c1ccccc1)c1ccccc1)CC2)[C@H]1CCOC1 ZINC000012035523 556389585 /nfs/dbraw/zinc/38/95/85/556389585.db2.gz XIYDTSXJSWISKU-QFIPXVFZSA-N 1 1 445.567 2.621 50 0 IFAAMO COc1ccc(OC)c([C@H](C)[NH2+][C@H](C)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)c1 ZINC000014244247 556403886 /nfs/dbraw/zinc/40/38/86/556403886.db2.gz PBBWDCYHFZPDJP-JKSUJKDBSA-N 1 1 449.573 2.940 50 0 IFAAMO COc1ccc(OC)c([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)c1 ZINC000014244245 556403901 /nfs/dbraw/zinc/40/39/01/556403901.db2.gz PBBWDCYHFZPDJP-HOTGVXAUSA-N 1 1 449.573 2.940 50 0 IFAAMO C[N@@H+](CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)Cc1ccccc1OC(F)(F)F ZINC000013013331 556436368 /nfs/dbraw/zinc/43/63/68/556436368.db2.gz 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HLPUUMUSTBRQAE-UHFFFAOYSA-N 1 1 434.565 2.977 50 0 IFAAMO CC[NH+]1CCN(C(=O)c2cnn(-c3nccc(-c4ccc5c(c4)OCO5)n3)c2C2CC2)CC1 ZINC000064053594 556822324 /nfs/dbraw/zinc/82/23/24/556822324.db2.gz JZWTUIDMTIOLEZ-UHFFFAOYSA-N 1 1 446.511 2.713 50 0 IFAAMO CCC[NH+]1CCN(C(=O)c2cnn(-c3ncc4c(n3)-c3ccccc3CC4)c2COC)CC1 ZINC000064074197 556822848 /nfs/dbraw/zinc/82/28/48/556822848.db2.gz CBXCRGZOZTWIQI-UHFFFAOYSA-N 1 1 446.555 2.742 50 0 IFAAMO COc1cc([C@@H](c2nnnn2C2CCCCC2)N2CC[NH+](C)CC2)cc(OC)c1OC ZINC000019589814 556824998 /nfs/dbraw/zinc/82/49/98/556824998.db2.gz OFOWWZVVCXWPFT-FQEVSTJZSA-N 1 1 430.553 2.541 50 0 IFAAMO Cc1ccnc(N2CCC(C(=O)NCC[NH+]3CCN(c4cccc(C)c4C)CC3)CC2)n1 ZINC000065001813 556830424 /nfs/dbraw/zinc/83/04/24/556830424.db2.gz DQKBGHUECVOYCO-UHFFFAOYSA-N 1 1 436.604 2.557 50 0 IFAAMO O=C(OCCCNC1=NS(=O)(=O)c2ccccc21)[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000019634550 556834453 /nfs/dbraw/zinc/83/44/53/556834453.db2.gz VCXKDZLDDHHOFA-OAQYLSRUSA-N 1 1 441.553 2.886 50 0 IFAAMO COc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2ccn(CC[NH+](C)C)n2)c1 ZINC000062581769 556837902 /nfs/dbraw/zinc/83/79/02/556837902.db2.gz FWTYHJLMJQKXQW-UHFFFAOYSA-N 1 1 443.529 2.506 50 0 IFAAMO O=C(C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019643760 556838537 /nfs/dbraw/zinc/83/85/37/556838537.db2.gz CMTNIUMECFBOSR-UHFFFAOYSA-N 1 1 445.560 2.571 50 0 IFAAMO O=C(NCCc1ccccc1)[C@H]1CCC[N@H+](C2CCN(c3ncnc4[nH]ccc43)CC2)C1 ZINC000071614947 556887116 /nfs/dbraw/zinc/88/71/16/556887116.db2.gz JIQVPHZHTUUHPS-FQEVSTJZSA-N 1 1 432.572 2.998 50 0 IFAAMO O=C(Cc1ccc(F)cc1)NCCc1nnc2n1CC[N@H+](Cc1cc3ccccc3[nH]1)CC2 ZINC000019745475 556892023 /nfs/dbraw/zinc/89/20/23/556892023.db2.gz ZFHYYBGQFYMYDO-UHFFFAOYSA-N 1 1 446.530 2.858 50 0 IFAAMO CCN1CCN(C[C@@H](O)COc2ccc(C[NH2+]CCc3cccc(F)c3)cc2OC)CC1 ZINC000019770972 556913075 /nfs/dbraw/zinc/91/30/75/556913075.db2.gz SYHOMYXMXPXXEA-HSZRJFAPSA-N 1 1 445.579 2.544 50 0 IFAAMO CSc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C)CC2)c2ccc(C)cc2)cc1 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CC1CCN(C(=O)c2cc3c(s2)CC[C@@H](C(=O)NCCC[NH+]2CCOCC2)C3)CC1 ZINC000065272613 569129066 /nfs/dbraw/zinc/12/90/66/569129066.db2.gz ZWAIFACWKNHSNJ-GOSISDBHSA-N 1 1 433.618 2.564 50 0 IFAAMO COC(=O)c1ccc2c(c1)nc(N1CCC[N@@H+](C)CC1)n(-c1ccc(Cl)cc1)c2=O ZINC000065306573 569133361 /nfs/dbraw/zinc/13/33/61/569133361.db2.gz DLLUHDQQYYJTAY-UHFFFAOYSA-N 1 1 426.904 2.968 50 0 IFAAMO Cc1ccc(NC(=O)C[NH+]2CCC(C(=O)Nc3ccc(-n4cnnn4)cc3)CC2)c(C)c1 ZINC000036709253 569136244 /nfs/dbraw/zinc/13/62/44/569136244.db2.gz KXMWVEIQOHNBGM-UHFFFAOYSA-N 1 1 433.516 2.568 50 0 IFAAMO C[C@@H](O)C[NH+]1CCN(C(=O)c2cc(-c3ccc4c(c3)OCCO4)nc3ccccc32)CC1 ZINC000170602434 569143293 /nfs/dbraw/zinc/14/32/93/569143293.db2.gz CQECTQIYTNHNNJ-QGZVFWFLSA-N 1 1 433.508 2.812 50 0 IFAAMO CCOc1ccc(-c2cc(=O)n(CC(=O)N3CC[NH+](Cc4ccccc4)CC3)cn2)cc1 ZINC000013809113 569157180 /nfs/dbraw/zinc/15/71/80/569157180.db2.gz QVEVFDQEJVJJCJ-UHFFFAOYSA-N 1 1 432.524 2.653 50 0 IFAAMO Cc1cccc(N2CCN(C(=O)C[N@@H+]3C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]3C)CC2)c1 ZINC000089672723 569161160 /nfs/dbraw/zinc/16/11/60/569161160.db2.gz CNXCVJQZDWAQGF-VQTJNVASSA-N 1 1 430.593 2.879 50 0 IFAAMO C[C@@H]1C[N@H+](C2CCN(C(=O)[C@H]3CCCN3C(=O)C34CC5CC(CC(C5)C3)C4)CC2)CCO1 ZINC000251834623 569162038 /nfs/dbraw/zinc/16/20/38/569162038.db2.gz PVWOENMPGHRDFU-QCQOOAGBSA-N 1 1 443.632 2.906 50 0 IFAAMO CCOC(=O)C1=C(C[N@@H+](Cc2ccccc2)[C@@H](CO)C2CC2)NC(=O)N[C@@H]1c1ccco1 ZINC000089978335 569169501 /nfs/dbraw/zinc/16/95/01/569169501.db2.gz CHOYRQQNFAAZKE-SIKLNZKXSA-N 1 1 439.512 2.724 50 0 IFAAMO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C2CCOCC2)C1 ZINC000252550658 569191028 /nfs/dbraw/zinc/19/10/28/569191028.db2.gz SWQLGKBVXBXXBE-FPOVZHCZSA-N 1 1 446.592 2.682 50 0 IFAAMO CCOC(=O)c1ccc(N2C[C@@H](C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)CC2=O)cc1 ZINC000253412406 569265863 /nfs/dbraw/zinc/26/58/63/569265863.db2.gz QXTHXPYIMNKLNG-IRFCIJBXSA-N 1 1 427.545 2.597 50 0 IFAAMO C[C@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)N(C)CC(=O)Nc1ccc(Cl)cc1 ZINC000012992672 569305974 /nfs/dbraw/zinc/30/59/74/569305974.db2.gz MFBZTXWNMAIUQQ-GOSISDBHSA-N 1 1 428.964 2.943 50 0 IFAAMO Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000013038295 569307700 /nfs/dbraw/zinc/30/77/00/569307700.db2.gz BSPWCBQPCZUDEB-UHFFFAOYSA-N 1 1 441.500 2.917 50 0 IFAAMO Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000013038295 569307701 /nfs/dbraw/zinc/30/77/01/569307701.db2.gz BSPWCBQPCZUDEB-UHFFFAOYSA-N 1 1 441.500 2.917 50 0 IFAAMO CCOc1ccc(C[N@H+](C)CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000013063514 569308763 /nfs/dbraw/zinc/30/87/63/569308763.db2.gz KJYJVLLCLRBHFF-UHFFFAOYSA-N 1 1 431.558 2.940 50 0 IFAAMO CCOc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000013063514 569308764 /nfs/dbraw/zinc/30/87/64/569308764.db2.gz KJYJVLLCLRBHFF-UHFFFAOYSA-N 1 1 431.558 2.940 50 0 IFAAMO CCO[C@H](C)c1noc(CN2CCC[N@@H+]([C@@H](C)C(=O)N(C)Cc3ccccc3)CC2)n1 ZINC000078950339 569320526 /nfs/dbraw/zinc/32/05/26/569320526.db2.gz HGCNSMNQQXXFPJ-RBUKOAKNSA-N 1 1 429.565 2.722 50 0 IFAAMO CCO[C@H](C)c1noc(CN2CCC[N@H+]([C@@H](C)C(=O)N(C)Cc3ccccc3)CC2)n1 ZINC000078950339 569320528 /nfs/dbraw/zinc/32/05/28/569320528.db2.gz HGCNSMNQQXXFPJ-RBUKOAKNSA-N 1 1 429.565 2.722 50 0 IFAAMO Cc1[nH]c2ccc(N3CCOCC3)cc2c(=O)c1C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000019793577 569329425 /nfs/dbraw/zinc/32/94/25/569329425.db2.gz LULZEWZRKWZSRD-UHFFFAOYSA-N 1 1 432.568 2.991 50 0 IFAAMO Cc1[nH]c2ccc(N3CCOCC3)cc2c(=O)c1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000019793577 569329426 /nfs/dbraw/zinc/32/94/26/569329426.db2.gz LULZEWZRKWZSRD-UHFFFAOYSA-N 1 1 432.568 2.991 50 0 IFAAMO Cc1[nH]c2ccc(N(C)C)cc2c(=O)c1C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019793667 569329428 /nfs/dbraw/zinc/32/94/28/569329428.db2.gz GUNDOCKFAJIUFV-UHFFFAOYSA-N 1 1 434.540 2.949 50 0 IFAAMO COc1ccc(C[N@H+]2CC(=O)N(CCCN3CCCC3=O)C[C@@H](OC)C2)c2ccccc12 ZINC000019939603 569332186 /nfs/dbraw/zinc/33/21/86/569332186.db2.gz GHFWHBNFJOMARG-FQEVSTJZSA-N 1 1 439.556 2.520 50 0 IFAAMO COc1ccc(C[N@@H+]2CC(=O)N(CCCN3CCCC3=O)C[C@@H](OC)C2)c2ccccc12 ZINC000019939603 569332187 /nfs/dbraw/zinc/33/21/87/569332187.db2.gz GHFWHBNFJOMARG-FQEVSTJZSA-N 1 1 439.556 2.520 50 0 IFAAMO COc1ccc([C@@H]2[C@@H](C(=O)N3CC[NH+](C)CC3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000020104394 569334178 /nfs/dbraw/zinc/33/41/78/569334178.db2.gz LGYXRJGYTPHVFD-LADGPHEKSA-N 1 1 437.540 2.962 50 0 IFAAMO COc1ccc(-c2nc(CSCC(=O)NCCC[NH+]3CCOCC3)c(C)o2)cc1OC ZINC000020241090 569357891 /nfs/dbraw/zinc/35/78/91/569357891.db2.gz MDRWXVUDRGBZLE-UHFFFAOYSA-N 1 1 449.573 2.739 50 0 IFAAMO O=C(CN1CC[NH+](Cc2cccc3cccnc32)CC1)NC[C@H]1CCN(c2ccccc2)C1 ZINC000095356531 569362123 /nfs/dbraw/zinc/36/21/23/569362123.db2.gz FEINJHGLNAJBMO-JOCHJYFZSA-N 1 1 443.595 2.995 50 0 IFAAMO CCOc1ccc2nc(N3CCC[C@@H](C(=O)NCCC[NH+]4CCN(C)CC4)C3)sc2c1 ZINC000020383551 569362716 /nfs/dbraw/zinc/36/27/16/569362716.db2.gz 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C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1ccc(Br)cc1 ZINC000003540540 569453621 /nfs/dbraw/zinc/45/36/21/569453621.db2.gz NXFMTIXZXZXGLL-GFCCVEGCSA-N 1 1 426.336 2.556 50 0 IFAAMO C[NH2+][C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(NCCN(C)C)c(=O)cc21 ZINC000004064574 569458540 /nfs/dbraw/zinc/45/85/40/569458540.db2.gz YWNNDKJOVDQFLD-SFHVURJKSA-N 1 1 427.545 2.920 50 0 IFAAMO Cn1c(C(=O)N[C@@H]2C3CN4CC2(c2ccccc2)C[N@@H+](C3)CC4)ccc1-c1ccccc1 ZINC000670457524 569458825 /nfs/dbraw/zinc/45/88/25/569458825.db2.gz QDCKBTNSKAVFMP-PYLWXJQRSA-N 1 1 426.564 2.990 50 0 IFAAMO O=S(=O)(NCC[N@H+]1CCC[C@@H](CO)C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000670461262 569460831 /nfs/dbraw/zinc/46/08/31/569460831.db2.gz RBOJNFWSVOWZNV-LLVKDONJSA-N 1 1 434.402 2.707 50 0 IFAAMO O=S(=O)(NCC[N@@H+]1CCC[C@@H](CO)C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000670461262 569460832 /nfs/dbraw/zinc/46/08/32/569460832.db2.gz RBOJNFWSVOWZNV-LLVKDONJSA-N 1 1 434.402 2.707 50 0 IFAAMO Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000032369154 569461387 /nfs/dbraw/zinc/46/13/87/569461387.db2.gz FDUAKCIKOGHYFJ-SFHVURJKSA-N 1 1 429.586 2.615 50 0 IFAAMO CC1=[NH+]N(Cc2ccccc2)c2nc3c(c(=O)n(Cc4ccccc4)c(=O)n3C)n2[C@@H]1C ZINC000008706121 569470507 /nfs/dbraw/zinc/47/05/07/569470507.db2.gz VKQFWQVTWYTRMY-QGZVFWFLSA-N 1 1 428.496 2.902 50 0 IFAAMO O=C(C[N@@H+]1CCc2sccc2[C@@H]1C1CC1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000008747950 569473166 /nfs/dbraw/zinc/47/31/66/569473166.db2.gz XGLQNXSWLWHGFO-QFIPXVFZSA-N 1 1 445.610 2.590 50 0 IFAAMO O=C(C[N@H+]1CCc2sccc2[C@@H]1C1CC1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000008747950 569473167 /nfs/dbraw/zinc/47/31/67/569473167.db2.gz XGLQNXSWLWHGFO-QFIPXVFZSA-N 1 1 445.610 2.590 50 0 IFAAMO CC[N@@H+](CCCNC(=O)Cn1c2ccccc2c2nc(=O)cc(C)n21)Cc1ccccc1 ZINC000008911550 569484841 /nfs/dbraw/zinc/48/48/41/569484841.db2.gz GPMYIJGGORUGRT-UHFFFAOYSA-N 1 1 431.540 2.986 50 0 IFAAMO 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/nfs/dbraw/zinc/55/34/10/569553410.db2.gz SOWFAYDYJAUDDB-RXVVDRJESA-N 1 1 434.540 2.622 50 0 IFAAMO Cc1ccc(CN2[NH+]=C(C)Cn3c2nc2c3c(=O)n(Cc3ccc(C)cc3)c(=O)n2C)cc1 ZINC000009707508 569561516 /nfs/dbraw/zinc/56/15/16/569561516.db2.gz KMOAZVDLGDCSGQ-UHFFFAOYSA-N 1 1 442.523 2.958 50 0 IFAAMO CCCCn1c(N)c(N(C(=O)C[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)C2CCCC2)c(=O)[nH]c1=O ZINC000009723395 569563581 /nfs/dbraw/zinc/56/35/81/569563581.db2.gz TYCUCMYWALTASJ-ZWKOTPCHSA-N 1 1 445.608 2.707 50 0 IFAAMO O=C(C[NH+]1CCC(C(=O)N2CCCCCC2)CC1)Nc1ccc(N2CCCC2=O)cc1 ZINC000009835191 569570636 /nfs/dbraw/zinc/57/06/36/569570636.db2.gz NCGRSEPYBZABSM-UHFFFAOYSA-N 1 1 426.561 2.867 50 0 IFAAMO C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000009876744 569572673 /nfs/dbraw/zinc/57/26/73/569572673.db2.gz AHVIBUQQKQHFIA-MRXNPFEDSA-N 1 1 445.541 2.659 50 0 IFAAMO C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000009876744 569572674 /nfs/dbraw/zinc/57/26/74/569572674.db2.gz 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CC(C)(C)c1ccc(C(=O)N(CCC[NH+]2CCCC2)CCC(=O)N2CCNCC2)cc1 ZINC000035422013 519013140 /nfs/dbraw/zinc/01/31/40/519013140.db2.gz HEECHKQKOVQHLO-UHFFFAOYSA-N 1 1 428.621 2.734 50 0 IFAAMO CC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCC[N@@H+](Cc1ccccc1)C(C)C ZINC000020531865 519520220 /nfs/dbraw/zinc/52/02/20/519520220.db2.gz KGMPXDILIMGLKO-UHFFFAOYSA-N 1 1 441.572 2.658 50 0 IFAAMO CC(C)[C@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)N1CC[NH+](C)CC1 ZINC000020676065 519820003 /nfs/dbraw/zinc/82/00/03/519820003.db2.gz HTCWSXRPGXUFAC-IBGZPJMESA-N 1 1 425.558 2.615 50 0 IFAAMO CC(C)c1nnc2ccc(N3CCC(C(=O)N4CC[NH+](Cc5ccccc5)CC4)CC3)nn21 ZINC000020723768 519893369 /nfs/dbraw/zinc/89/33/69/519893369.db2.gz SSRCOIBJRJHAHJ-UHFFFAOYSA-N 1 1 447.587 2.809 50 0 IFAAMO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3OC)cc2)C1 ZINC000078935313 520244229 /nfs/dbraw/zinc/24/42/29/520244229.db2.gz LUOYEZYNERNJAV-KRWDZBQOSA-N 1 1 431.558 2.910 50 0 IFAAMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3OC)cc2)C1 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Cc1ccc(S(=O)(=O)NCCN2CC[NH+](CCOc3ccc(Cl)cc3)CC2)cc1 ZINC000022789914 525568044 /nfs/dbraw/zinc/56/80/44/525568044.db2.gz JCEWTZWAOXZNIH-UHFFFAOYSA-N 1 1 437.993 2.623 50 0 IFAAMO Cc1ccc(C(=O)N(CCC(=O)N2CCNCC2)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000035421920 526071236 /nfs/dbraw/zinc/07/12/36/526071236.db2.gz SBIDYNWSOIZOHD-UHFFFAOYSA-N 1 1 448.611 2.924 50 0 IFAAMO Cc1nn(CCCC(=O)NCCC[NH+]2CCOCC2)c(=O)c2c3ccccc3sc21 ZINC000020467120 526279340 /nfs/dbraw/zinc/27/93/40/526279340.db2.gz JFMBMKRFWTVGGE-UHFFFAOYSA-N 1 1 428.558 2.538 50 0 IFAAMO Cc1csc2ncc(C(=O)NCC[NH+]3CCN(c4cc(Cl)ccc4C)CC3)c(=O)n12 ZINC000021717173 526457012 /nfs/dbraw/zinc/45/70/12/526457012.db2.gz VWGSJFRCYNDTLQ-UHFFFAOYSA-N 1 1 445.976 2.578 50 0 IFAAMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc(N3CCNC3=O)cc2)C1)c1ccc2c(c1)OCO2 ZINC000012701347 526513981 /nfs/dbraw/zinc/51/39/81/526513981.db2.gz DLDBIPUTIOBDNE-SFHVURJKSA-N 1 1 436.512 2.587 50 0 IFAAMO O=C(CCc1ccccc1)NC(NCCC[NH+]1CCOCC1)(C(F)(F)F)C(F)(F)F ZINC000012376257 526609097 /nfs/dbraw/zinc/60/90/97/526609097.db2.gz KVKUWBSAIVBKFI-UHFFFAOYSA-N 1 1 441.416 2.868 50 0 IFAAMO O=C(C[NH+]1CCCCCCC1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000012586574 526740073 /nfs/dbraw/zinc/74/00/73/526740073.db2.gz OZNCVAWQAVYDLB-UHFFFAOYSA-N 1 1 429.970 2.566 50 0 IFAAMO O=C(CN1CCN(C(=O)C[N@@H+](Cc2ccc(F)cc2)C2CC2)CC1)Nc1cccc(F)c1 ZINC000012918623 526761819 /nfs/dbraw/zinc/76/18/19/526761819.db2.gz OILKXTKOCBXFIF-UHFFFAOYSA-N 1 1 442.510 2.712 50 0 IFAAMO O=C(CN1CCN(C(=O)C[N@H+](Cc2ccc(F)cc2)C2CC2)CC1)Nc1cccc(F)c1 ZINC000012918623 526761821 /nfs/dbraw/zinc/76/18/21/526761821.db2.gz OILKXTKOCBXFIF-UHFFFAOYSA-N 1 1 442.510 2.712 50 0 IFAAMO O=C(CN1CCN(C(=O)C[N@H+]2CCC[C@H]2c2cccs2)CC1)Nc1cccc(F)c1 ZINC000035392797 526762059 /nfs/dbraw/zinc/76/20/59/526762059.db2.gz CIXHQNPFPAFECA-IBGZPJMESA-N 1 1 430.549 2.807 50 0 IFAAMO NC(=O)Cn1c(=O)c2c(nc1-c1ccc(C(F)(F)F)cc1)C[N@H+](Cc1ccccc1)CC2 ZINC000035456609 526912859 /nfs/dbraw/zinc/91/28/59/526912859.db2.gz OYTBULXCVUBZJU-UHFFFAOYSA-N 1 1 442.441 2.973 50 0 IFAAMO NC(=O)Cn1c(=O)c2c(nc1-c1ccc(C(F)(F)F)cc1)C[N@@H+](Cc1ccccc1)CC2 ZINC000035456609 526912861 /nfs/dbraw/zinc/91/28/61/526912861.db2.gz OYTBULXCVUBZJU-UHFFFAOYSA-N 1 1 442.441 2.973 50 0 IFAAMO O=C(Cc1ccccc1)NCc1nnc2n1CC[N@H+](Cc1ccc3ncccc3c1)CC2 ZINC000012149624 527282108 /nfs/dbraw/zinc/28/21/08/527282108.db2.gz XIFQYETUVDBVAD-UHFFFAOYSA-N 1 1 426.524 2.744 50 0 IFAAMO O=S(=O)(c1cccc(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1)N1CCOCC1 ZINC000022241030 527282808 /nfs/dbraw/zinc/28/28/08/527282808.db2.gz AMKLMDJCDKMBKB-OAQYLSRUSA-N 1 1 444.553 2.816 50 0 IFAAMO O=S(=O)(c1cccc(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1)N1CCOCC1 ZINC000022241030 527282814 /nfs/dbraw/zinc/28/28/14/527282814.db2.gz AMKLMDJCDKMBKB-OAQYLSRUSA-N 1 1 444.553 2.816 50 0 IFAAMO O=C(Nc1ccc2c(c1)OCO2)[C@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)c1ccccc1 ZINC000035485265 527290220 /nfs/dbraw/zinc/29/02/20/527290220.db2.gz OGAOLUYPEVGMKN-NZQKXSOJSA-N 1 1 429.476 2.926 50 0 IFAAMO O=C(NCCC[NH+]1CCOCC1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccccc1)N2 ZINC000020509981 527672451 /nfs/dbraw/zinc/67/24/51/527672451.db2.gz ZLKUCZBZKHGTJH-AEFFLSMTSA-N 1 1 437.466 2.996 50 0 IFAAMO O=C(NCCC[NH+]1CCOCC1)c1cn(-c2ccc(F)cc2F)c(=O)c2ccccc12 ZINC000020765487 527673265 /nfs/dbraw/zinc/67/32/65/527673265.db2.gz AWIKVHHTAWTPBH-UHFFFAOYSA-N 1 1 427.451 2.721 50 0 IFAAMO O=C(NCCC[NH+]1CCOCC1)c1cnn2c1N[C@H](c1ccccc1)C[C@H]2C(F)(F)F ZINC000012845523 527673398 /nfs/dbraw/zinc/67/33/98/527673398.db2.gz LGNZOCCREPMYEY-ROUUACIJSA-N 1 1 437.466 2.996 50 0 IFAAMO O=C(NCCC[NH+]1CCOCC1)c1cnn(-c2nccc(-c3cccs3)n2)c1C1CC1 ZINC000020454506 527673498 /nfs/dbraw/zinc/67/34/98/527673498.db2.gz MDKLZOZPCUYLQR-UHFFFAOYSA-N 1 1 438.557 2.720 50 0 IFAAMO CCCN(CCC)C(=O)c1coc(CN2CC[NH+](C[C@@H](O)Cc3ccccc3)CC2)n1 ZINC000034677639 555795973 /nfs/dbraw/zinc/79/59/73/555795973.db2.gz WHAMNMVDSNUIEU-NRFANRHFSA-N 1 1 428.577 2.658 50 0 IFAAMO CCOC(=O)[C@H]1CCC[N@@H+](CCC(=O)Nc2c3ccc(OC)cc3[nH]c2C(=O)OC)C1 ZINC000004325454 556327597 /nfs/dbraw/zinc/32/75/97/556327597.db2.gz FYLZQLHJWXPYGZ-AWEZNQCLSA-N 1 1 431.489 2.567 50 0 IFAAMO Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)N1CC[NH+](C)CC1 ZINC000013941786 556338526 /nfs/dbraw/zinc/33/85/26/556338526.db2.gz OTEQIVPPVZOYBK-UHFFFAOYSA-N 1 1 437.949 2.602 50 0 IFAAMO COc1ccccc1C[N@@H+]1CCc2nnc([C@@H](NC(=O)c3ccccn3)C(C)C)n2CC1 ZINC000011813979 556357207 /nfs/dbraw/zinc/35/72/07/556357207.db2.gz VAQKYTNWHQZNPX-QFIPXVFZSA-N 1 1 434.544 2.867 50 0 IFAAMO COC(=O)C1CCN(C[C@H](O)COc2cccc(C[NH2+]Cc3ccc(F)cc3)c2)CC1 ZINC000011841835 556365545 /nfs/dbraw/zinc/36/55/45/556365545.db2.gz OKZGPYIBFGQNHM-QFIPXVFZSA-N 1 1 430.520 2.740 50 0 IFAAMO COc1ccc(-c2noc(C[N@H+]3CCCC[C@@H]3CCN3CCOCC3)n2)c(OC)c1OC ZINC000011879945 556372135 /nfs/dbraw/zinc/37/21/35/556372135.db2.gz CGHURMJGVGMYCM-QGZVFWFLSA-N 1 1 446.548 2.839 50 0 IFAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000014129553 556374481 /nfs/dbraw/zinc/37/44/81/556374481.db2.gz VPCQYHPSBHPMDJ-UHFFFAOYSA-N 1 1 449.617 2.626 50 0 IFAAMO COCC[NH+]1CCC(CN(C)Cc2c(C(=O)N3CCCCC3)nc3sccn23)CC1 ZINC000011936134 556378848 /nfs/dbraw/zinc/37/88/48/556378848.db2.gz MVNDVBQSBOIERJ-UHFFFAOYSA-N 1 1 433.622 2.812 50 0 IFAAMO COC(=O)C1CC[NH+](C[C@@H](O)COc2cccc(CN(C)Cc3ccc(C)o3)c2)CC1 ZINC000011954356 556380750 /nfs/dbraw/zinc/38/07/50/556380750.db2.gz FDHVTAKBPGAKPR-OAQYLSRUSA-N 1 1 430.545 2.845 50 0 IFAAMO CCC(CC)C[N@@H+]1CCc2c(C(=O)N(C)Cc3cscn3)c(OC)cc(=O)n2CC1 ZINC000012039267 556390446 /nfs/dbraw/zinc/39/04/46/556390446.db2.gz UKFRBVMVWLLNOT-UHFFFAOYSA-N 1 1 432.590 2.880 50 0 IFAAMO O=C(C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)N1CCN(C(=O)c2cccs2)CC1 ZINC000014244625 556404469 /nfs/dbraw/zinc/40/44/69/556404469.db2.gz PPQMALTYRBYWHX-GOSISDBHSA-N 1 1 441.553 2.641 50 0 IFAAMO O=C(C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)N1CCN(C(=O)c2cccs2)CC1 ZINC000014244625 556404472 /nfs/dbraw/zinc/40/44/72/556404472.db2.gz PPQMALTYRBYWHX-GOSISDBHSA-N 1 1 441.553 2.641 50 0 IFAAMO COc1cccc(C[N@@H+]2CCc3c(c(C(=O)N[C@H](C)c4ccccc4)nn3CCO)C2)c1 ZINC000014535861 556423418 /nfs/dbraw/zinc/42/34/18/556423418.db2.gz ZAQKEVMYZYGPNL-GOSISDBHSA-N 1 1 434.540 2.933 50 0 IFAAMO COc1cccc(C[N@H+]2CCc3c(c(C(=O)N[C@H](C)c4ccccc4)nn3CCO)C2)c1 ZINC000014535861 556423421 /nfs/dbraw/zinc/42/34/21/556423421.db2.gz ZAQKEVMYZYGPNL-GOSISDBHSA-N 1 1 434.540 2.933 50 0 IFAAMO COc1cccc(C[N@@H+]2CCc3c(c(C(=O)N[C@@H](C)c4ccccc4)nn3CCO)C2)c1 ZINC000014535860 556423502 /nfs/dbraw/zinc/42/35/02/556423502.db2.gz ZAQKEVMYZYGPNL-SFHVURJKSA-N 1 1 434.540 2.933 50 0 IFAAMO COc1cccc(C[N@H+]2CCc3c(c(C(=O)N[C@@H](C)c4ccccc4)nn3CCO)C2)c1 ZINC000014535860 556423505 /nfs/dbraw/zinc/42/35/05/556423505.db2.gz ZAQKEVMYZYGPNL-SFHVURJKSA-N 1 1 434.540 2.933 50 0 IFAAMO O=C(CSc1nncn1-c1ccccc1F)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000014641059 556431181 /nfs/dbraw/zinc/43/11/81/556431181.db2.gz HKHHBDLOTDMZNR-UHFFFAOYSA-N 1 1 433.553 2.650 50 0 IFAAMO Cc1nc(C[N@@H+](C)[C@@H]2CCc3c(c(C(=O)N4CCOCC4)nn3CC(C)C)C2)cs1 ZINC000014746217 556441157 /nfs/dbraw/zinc/44/11/57/556441157.db2.gz XVXBKHLSTLIZPC-GOSISDBHSA-N 1 1 431.606 2.766 50 0 IFAAMO Cc1nc(C[N@H+](C)[C@@H]2CCc3c(c(C(=O)N4CCOCC4)nn3CC(C)C)C2)cs1 ZINC000014746217 556441158 /nfs/dbraw/zinc/44/11/58/556441158.db2.gz XVXBKHLSTLIZPC-GOSISDBHSA-N 1 1 431.606 2.766 50 0 IFAAMO CC(C)(CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000028059953 556443344 /nfs/dbraw/zinc/44/33/44/556443344.db2.gz QYDILFMBNUWGPD-UHFFFAOYSA-N 1 1 427.570 2.929 50 0 IFAAMO CC(C)(CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)[N@H+]1CCc2ccccc2C1 ZINC000028059953 556443348 /nfs/dbraw/zinc/44/33/48/556443348.db2.gz QYDILFMBNUWGPD-UHFFFAOYSA-N 1 1 427.570 2.929 50 0 IFAAMO C[NH+](C)CCCN1C(=O)N(CCc2ccccc2)C2(CCN(Cc3ccccn3)CC2)C1=O ZINC000014752838 556443992 /nfs/dbraw/zinc/44/39/92/556443992.db2.gz PBCGSPPLMXYXMX-UHFFFAOYSA-N 1 1 449.599 2.875 50 0 IFAAMO O=C(NCCCO)c1cn([C@H]2CCC[N@@H+](CC(c3ccccc3)c3ccccc3)C2)nn1 ZINC000014887032 556455540 /nfs/dbraw/zinc/45/55/40/556455540.db2.gz GBNYCTDLONEONA-QFIPXVFZSA-N 1 1 433.556 2.859 50 0 IFAAMO O=C(Cc1ccc(F)cc1)NCCc1nnc2n1CC[N@H+](Cc1cccc(F)c1)CC2 ZINC000014964037 556464985 /nfs/dbraw/zinc/46/49/85/556464985.db2.gz OTOQIFZJLFQJCD-UHFFFAOYSA-N 1 1 425.483 2.516 50 0 IFAAMO Cc1cc(C(=O)N2CCC[C@@H](CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)nn1C ZINC000014970063 556466869 /nfs/dbraw/zinc/46/68/69/556466869.db2.gz YPEHYMCJJMNOBI-QFIPXVFZSA-N 1 1 437.588 2.705 50 0 IFAAMO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2NC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000013120170 556472031 /nfs/dbraw/zinc/47/20/31/556472031.db2.gz ZJESSKAIBBQHQD-JOCHJYFZSA-N 1 1 442.585 2.633 50 0 IFAAMO CC(C)Oc1ccc(C[N@@H+]2CCc3nnc(CNC(=O)Cc4ccccc4)n3CC2)cc1 ZINC000014987536 556473433 /nfs/dbraw/zinc/47/34/33/556473433.db2.gz ZUDVXXJDWOIZDM-UHFFFAOYSA-N 1 1 433.556 2.983 50 0 IFAAMO O=C(Cc1ccccc1)NCc1nnc2n1CC[N@H+](Cc1cccc3cccnc31)CC2 ZINC000014988886 556474102 /nfs/dbraw/zinc/47/41/02/556474102.db2.gz VTPVCWLOPHFOPZ-UHFFFAOYSA-N 1 1 426.524 2.744 50 0 IFAAMO O=C(NCCC[N@@H+](CCN1CCOCC1)Cc1cccs1)[C@@H]1COc2ccccc2C1 ZINC000022937982 556511377 /nfs/dbraw/zinc/51/13/77/556511377.db2.gz YMZNFPCGHZTFOI-NRFANRHFSA-N 1 1 443.613 2.640 50 0 IFAAMO CSCC[C@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000032899916 556531629 /nfs/dbraw/zinc/53/16/29/556531629.db2.gz KPOPCGXMTXIMLO-QHAWAJNXSA-N 1 1 443.613 2.628 50 0 IFAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000032398906 556537834 /nfs/dbraw/zinc/53/78/34/556537834.db2.gz XDXFXGRJISBIKM-UHFFFAOYSA-N 1 1 427.570 2.649 50 0 IFAAMO O=C(CCN1CC[NH+](Cc2ccccc2)CC1)N1CCCc2c3cc(O)ccc3oc(=O)c21 ZINC000020035897 556538727 /nfs/dbraw/zinc/53/87/27/556538727.db2.gz MOUSOYJTLUGPLO-UHFFFAOYSA-N 1 1 447.535 2.986 50 0 IFAAMO Cc1nc(N2CCCCC2)cc(N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)[nH+]1 ZINC000015671295 556542325 /nfs/dbraw/zinc/54/23/25/556542325.db2.gz KSEZMJZHRXAQNR-UHFFFAOYSA-N 1 1 435.981 2.940 50 0 IFAAMO Cc1cc(C)c(S(=O)(=O)N2CCN(c3cc(N4CCCC4)nc(C)[nH+]3)CC2)cc1C ZINC000015671253 556542351 /nfs/dbraw/zinc/54/23/51/556542351.db2.gz YKKDOQMQRRJZMZ-UHFFFAOYSA-N 1 1 429.590 2.821 50 0 IFAAMO C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)c2ccnc(N3CCO[C@@H](C)C3)c2)C[C@H](C)O1 ZINC000072305404 556552957 /nfs/dbraw/zinc/55/29/57/556552957.db2.gz BVKOKGVENBAURK-SLFFLAALSA-N 1 1 438.572 2.846 50 0 IFAAMO C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)c2ccnc(N3CCO[C@@H](C)C3)c2)C[C@H](C)O1 ZINC000072305404 556552959 /nfs/dbraw/zinc/55/29/59/556552959.db2.gz BVKOKGVENBAURK-SLFFLAALSA-N 1 1 438.572 2.846 50 0 IFAAMO COc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](C(=O)NCc4cccnc4)C3)n2)cc1OC ZINC000033250165 556556946 /nfs/dbraw/zinc/55/69/46/556556946.db2.gz ZCBOTAPGFOKDAL-GOSISDBHSA-N 1 1 437.500 2.677 50 0 IFAAMO COc1ccc(-c2noc(C[N@H+]3CCC[C@@H](C(=O)NCc4cccnc4)C3)n2)cc1OC ZINC000033250165 556556951 /nfs/dbraw/zinc/55/69/51/556556951.db2.gz ZCBOTAPGFOKDAL-GOSISDBHSA-N 1 1 437.500 2.677 50 0 IFAAMO C[C@@](O)(CNC(=O)c1cc2ccccc2n1Cc1ccccc1F)C[NH+]1CCOCC1 ZINC000072306609 556557957 /nfs/dbraw/zinc/55/79/57/556557957.db2.gz XCIJVHLQCPPDCN-XMMPIXPASA-N 1 1 425.504 2.642 50 0 IFAAMO CC[NH+]1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)CC1 ZINC000015919206 556563425 /nfs/dbraw/zinc/56/34/25/556563425.db2.gz WPMFCNNFILWEAD-CQSZACIVSA-N 1 1 434.389 2.558 50 0 IFAAMO COCCC[N@H+]1CCCN([C@@H](C)C(=O)Nc2cccc(I)c2)CC1 ZINC000072308503 556565233 /nfs/dbraw/zinc/56/52/33/556565233.db2.gz SQHUZJQTFZSKCA-HNNXBMFYSA-N 1 1 445.345 2.662 50 0 IFAAMO CCOC(=O)C1C(CN2CC[N@@H+](C)CC23CCCCC3)=NC(=O)N[C@@H]1c1ccccc1 ZINC000072308921 556568215 /nfs/dbraw/zinc/56/82/15/556568215.db2.gz GSCUQVMOUJKJRB-OAQYLSRUSA-N 1 1 426.561 2.808 50 0 IFAAMO CCOC(=O)C1=C(CN2CC[N@H+](C)CC23CCCCC3)NC(=O)N[C@@H]1c1ccccc1 ZINC000072308921 556568218 /nfs/dbraw/zinc/56/82/18/556568218.db2.gz GSCUQVMOUJKJRB-OAQYLSRUSA-N 1 1 426.561 2.808 50 0 IFAAMO CCOC(=O)C1=C(CN2CC[N@@H+](C)CC23CCCCC3)NC(=O)N[C@@H]1c1ccccc1 ZINC000072308921 556568220 /nfs/dbraw/zinc/56/82/20/556568220.db2.gz GSCUQVMOUJKJRB-OAQYLSRUSA-N 1 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2.976 50 0 IFAAMO CCN1CC[NH+](Cc2ccc(CNC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)CC1 ZINC000032932412 556675675 /nfs/dbraw/zinc/67/56/75/556675675.db2.gz IWTXGBCKLUHFIS-UHFFFAOYSA-N 1 1 427.545 2.780 50 0 IFAAMO COc1ccc(C[N@H+](C)Cc2ccc(C)cc2)cc1OC[C@H](O)CN1CCN(C)CC1 ZINC000019223827 556716272 /nfs/dbraw/zinc/71/62/72/556716272.db2.gz FMFWUPFIOPZQMB-HSZRJFAPSA-N 1 1 427.589 2.623 50 0 IFAAMO COc1ccc(C[N@@H+](C)Cc2ccc(C)cc2)cc1OC[C@H](O)CN1CCN(C)CC1 ZINC000019223827 556716274 /nfs/dbraw/zinc/71/62/74/556716274.db2.gz FMFWUPFIOPZQMB-HSZRJFAPSA-N 1 1 427.589 2.623 50 0 IFAAMO COc1ccc(C(=O)NCCc2nnc3n2CC[N@H+](Cc2ccc(C)c(C)c2)CC3)cc1 ZINC000019229172 556717783 /nfs/dbraw/zinc/71/77/83/556717783.db2.gz QRWYYWQFSMCIQR-UHFFFAOYSA-N 1 1 433.556 2.934 50 0 IFAAMO CCc1nnc(SCC(=O)N2CCC[C@@H]([NH+]3CCN(c4ccccc4C)CC3)C2)o1 ZINC000055310106 556740041 /nfs/dbraw/zinc/74/00/41/556740041.db2.gz JHDMSSUAWNMINF-GOSISDBHSA-N 1 1 429.590 2.846 50 0 IFAAMO Cc1ccc(-c2nnc(S[C@H](C)C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)n2N)cc1 ZINC000058017870 556754267 /nfs/dbraw/zinc/75/42/67/556754267.db2.gz XCZHREQKUYQYLX-XLIONFOSSA-N 1 1 436.585 2.839 50 0 IFAAMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)[C@@H]3CC(=O)N(CCc4ccccc4)C3)c2)CCO1 ZINC000058162297 556765677 /nfs/dbraw/zinc/76/56/77/556765677.db2.gz AAYDAVYVMASOAP-GBXCKJPGSA-N 1 1 435.568 2.615 50 0 IFAAMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@@H]3CC(=O)N(CCc4ccccc4)C3)c2)CCO1 ZINC000058162297 556765681 /nfs/dbraw/zinc/76/56/81/556765681.db2.gz AAYDAVYVMASOAP-GBXCKJPGSA-N 1 1 435.568 2.615 50 0 IFAAMO C[N@H+]1CCCN(c2ccc(CNC(=O)Nc3cccc(OCCn4cccn4)c3)cn2)CC1 ZINC000058167278 556766975 /nfs/dbraw/zinc/76/69/75/556766975.db2.gz LCSOCFKJKRVELM-UHFFFAOYSA-N 1 1 449.559 2.821 50 0 IFAAMO O=C(NCCC[NH+]1CCOCC1)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 ZINC000019537081 556794510 /nfs/dbraw/zinc/79/45/10/556794510.db2.gz XPWLTVBALYQINI-UHFFFAOYSA-N 1 1 439.463 2.929 50 0 IFAAMO COc1ccc(NC(=O)c2nnc(CCC(=O)NCCC[N@H+]3CCC[C@@H](C)C3)s2)cc1 ZINC000033061868 556817559 /nfs/dbraw/zinc/81/75/59/556817559.db2.gz OUIWPOWTFYMRIA-MRXNPFEDSA-N 1 1 445.589 2.970 50 0 IFAAMO O=C(OCCCNC1=NS(=O)(=O)c2ccccc21)[C@H](c1ccccc1)[NH+]1CCCCC1 ZINC000019634546 556834413 /nfs/dbraw/zinc/83/44/13/556834413.db2.gz VCXKDZLDDHHOFA-NRFANRHFSA-N 1 1 441.553 2.886 50 0 IFAAMO COc1ccc(Cl)cc1NC(=O)N1CCN(c2cc(-n3ccnc3)nc(C)[nH+]2)CC1 ZINC000065364913 556835658 /nfs/dbraw/zinc/83/56/58/556835658.db2.gz VDCLNOLQVMYPBX-UHFFFAOYSA-N 1 1 427.896 2.987 50 0 IFAAMO COC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000019706602 556865029 /nfs/dbraw/zinc/86/50/29/556865029.db2.gz HIODVGLDNLFSSX-UHFFFAOYSA-N 1 1 436.512 2.719 50 0 IFAAMO Cc1cccn2c(C[N@H+](C)CCN3CCOCC3)c(C(=O)N(C)CCc3ccccc3)nc12 ZINC000019740801 556881732 /nfs/dbraw/zinc/88/17/32/556881732.db2.gz XVNIZVPPHPBRAL-UHFFFAOYSA-N 1 1 449.599 2.721 50 0 IFAAMO Cc1cccn2c(C[N@@H+](C)CCN3CCOCC3)c(C(=O)N(C)CCc3ccccc3)nc12 ZINC000019740801 556881735 /nfs/dbraw/zinc/88/17/35/556881735.db2.gz XVNIZVPPHPBRAL-UHFFFAOYSA-N 1 1 449.599 2.721 50 0 IFAAMO CCN1CCN(C[C@H](O)COc2ccc(C[N@H+](C)CCc3ccccc3)cc2OC)CC1 ZINC000019741232 556882768 /nfs/dbraw/zinc/88/27/68/556882768.db2.gz HQJRMAAGEQIJPA-DEOSSOPVSA-N 1 1 441.616 2.747 50 0 IFAAMO CCN1CCN(C[C@H](O)COc2ccc(C[N@@H+](C)CCc3ccccc3)cc2OC)CC1 ZINC000019741232 556882773 /nfs/dbraw/zinc/88/27/73/556882773.db2.gz HQJRMAAGEQIJPA-DEOSSOPVSA-N 1 1 441.616 2.747 50 0 IFAAMO Cc1c(Cl)cccc1NC(=O)N1CCN(c2cc(N3CC[NH+](C)CC3)ncn2)CC1 ZINC000072117349 556898139 /nfs/dbraw/zinc/89/81/39/556898139.db2.gz LEZOCDDNNJXQTL-UHFFFAOYSA-N 1 1 429.956 2.544 50 0 IFAAMO O=C(NCCC[NH+]1CCOCC1)c1cc2nc(-c3ccco3)cc(C(F)(F)Cl)n2n1 ZINC000019848472 556930085 /nfs/dbraw/zinc/93/00/85/556930085.db2.gz DKMLIFAWYXLFOX-UHFFFAOYSA-N 1 1 439.850 2.730 50 0 IFAAMO COc1cccc(C(=O)N2CCN(c3cc(N4CCCCC4)nc(C)[nH+]3)CC2)c1OC ZINC000072436913 556972680 /nfs/dbraw/zinc/97/26/80/556972680.db2.gz 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NC(=O)c1ccc(C[N@@H+](CC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)C2CC2)cc1 ZINC000048310960 557060988 /nfs/dbraw/zinc/06/09/88/557060988.db2.gz IRQZTTNATHJUDA-UHFFFAOYSA-N 1 1 434.540 2.627 50 0 IFAAMO C[C@@]1(CCc2ccccc2)NC(=O)N(CN2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C1=O ZINC000023257718 557079866 /nfs/dbraw/zinc/07/98/66/557079866.db2.gz UMGNISCESITPIG-SANMLTNESA-N 1 1 448.567 2.640 50 0 IFAAMO O=C(CCN1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc21)NCCC[NH+]1CCOCC1 ZINC000023289047 557082073 /nfs/dbraw/zinc/08/20/73/557082073.db2.gz AKZZHWAXHZXWGO-VWLOTQADSA-N 1 1 446.551 2.942 50 0 IFAAMO Cc1ccc2c(c1)N(C(=O)Cn1c(C)nc3c(c1=O)C[N@@H+](Cc1ccccc1)CC3)CCO2 ZINC000049400811 557096333 /nfs/dbraw/zinc/09/63/33/557096333.db2.gz ZFSAQTNAZNTDJX-UHFFFAOYSA-N 1 1 444.535 2.844 50 0 IFAAMO O=C(Nc1ccc2c(c1)OCO2)C1CC[NH+](CN2C(=O)CC3(CCCCC3)C2=O)CC1 ZINC000023673580 557104971 /nfs/dbraw/zinc/10/49/71/557104971.db2.gz KMEAZBYJTCACRH-UHFFFAOYSA-N 1 1 427.501 2.733 50 0 IFAAMO Cc1cccc(-n2nnnc2SCC(=O)NCC2([NH+]3CCOCC3)CCCCC2)c1C ZINC000023818906 557118678 /nfs/dbraw/zinc/11/86/78/557118678.db2.gz BDHCJCVKRNFVCH-UHFFFAOYSA-N 1 1 444.605 2.523 50 0 IFAAMO O[C@@H](CN1CCOCC1)C[N@@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000225099246 557123696 /nfs/dbraw/zinc/12/36/96/557123696.db2.gz YMVKTNYDQYXEBY-XZOQPEGZSA-N 1 1 427.520 2.514 50 0 IFAAMO O[C@@H](CN1CCOCC1)C[N@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000225099246 557123700 /nfs/dbraw/zinc/12/37/00/557123700.db2.gz YMVKTNYDQYXEBY-XZOQPEGZSA-N 1 1 427.520 2.514 50 0 IFAAMO CC(C)CCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CC[NH+](C)CC1 ZINC000024776295 557166658 /nfs/dbraw/zinc/16/66/58/557166658.db2.gz UGUDPZNWHIMZEY-UHFFFAOYSA-N 1 1 436.622 2.988 50 0 IFAAMO NC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000247748625 557213876 /nfs/dbraw/zinc/21/38/76/557213876.db2.gz RESSSVYMVVHWDL-TVFCKZIOSA-N 1 1 427.382 2.706 50 0 IFAAMO NC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000247748625 557213878 /nfs/dbraw/zinc/21/38/78/557213878.db2.gz RESSSVYMVVHWDL-TVFCKZIOSA-N 1 1 427.382 2.706 50 0 IFAAMO CC(C)[C@H](CNC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)[NH+]1CCOCC1 ZINC000026302127 557238733 /nfs/dbraw/zinc/23/87/33/557238733.db2.gz ILACQYVNNXBJBD-IBGZPJMESA-N 1 1 428.499 2.894 50 0 IFAAMO COC(=O)C[C@H](NC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(C)cc1 ZINC000027364459 557261301 /nfs/dbraw/zinc/26/13/01/557261301.db2.gz GBFIZXQHNVHELD-QFIPXVFZSA-N 1 1 425.529 2.931 50 0 IFAAMO O=C([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000222107669 557333744 /nfs/dbraw/zinc/33/37/44/557333744.db2.gz BCZWGPYRCXINJL-MOPGFXCFSA-N 1 1 435.446 2.981 50 0 IFAAMO O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000222107669 557333747 /nfs/dbraw/zinc/33/37/47/557333747.db2.gz BCZWGPYRCXINJL-MOPGFXCFSA-N 1 1 435.446 2.981 50 0 IFAAMO COc1ccccc1C[NH2+]CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C ZINC000014361393 557336538 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/nfs/dbraw/zinc/72/40/89/526724089.db2.gz YMEHUJBKZNVJIP-UHFFFAOYSA-N 1 1 446.530 2.844 50 0 IFAAMO O=C(CN1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2cccs2)CC1)Nc1cccc(F)c1 ZINC000035392794 526761276 /nfs/dbraw/zinc/76/12/76/526761276.db2.gz CIXHQNPFPAFECA-LJQANCHMSA-N 1 1 430.549 2.807 50 0 IFAAMO O=C(CNC(=O)N1CCc2c3ccccc3[nH]c2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020760446 526838411 /nfs/dbraw/zinc/83/84/11/526838411.db2.gz CLVGYEFGQKPNHQ-UHFFFAOYSA-N 1 1 431.540 2.580 50 0 IFAAMO O=C(COc1coc(CN2CC[NH+](Cc3ccccc3)CC2)cc1=O)Nc1ccccc1 ZINC000022852799 527002850 /nfs/dbraw/zinc/00/28/50/527002850.db2.gz BOVOMZSIBCONJS-UHFFFAOYSA-N 1 1 433.508 2.975 50 0 IFAAMO O=C(CSc1nnnn1-c1ccc(Cl)cc1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012916668 527092660 /nfs/dbraw/zinc/09/26/60/527092660.db2.gz DSXYBALTWODLID-KRWDZBQOSA-N 1 1 428.949 2.799 50 0 IFAAMO O=S(=O)(c1cccc(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)c1)N1CCOCC1 ZINC000022241031 527283781 /nfs/dbraw/zinc/28/37/81/527283781.db2.gz AMKLMDJCDKMBKB-NRFANRHFSA-N 1 1 444.553 2.816 50 0 IFAAMO O=S(=O)(c1cccc(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)c1)N1CCOCC1 ZINC000022241031 527283788 /nfs/dbraw/zinc/28/37/88/527283788.db2.gz AMKLMDJCDKMBKB-NRFANRHFSA-N 1 1 444.553 2.816 50 0 IFAAMO Cn1ncc2c1ncnc2N1CC[NH+](Cc2ccc(C(=O)Nc3ccccc3)cc2)CC1 ZINC000012848937 527587553 /nfs/dbraw/zinc/58/75/53/527587553.db2.gz HZLYIVILQJAPQL-UHFFFAOYSA-N 1 1 427.512 2.938 50 0 IFAAMO O=C(C[C@H]1N[C@H]2CCCC[C@H]2NC1=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000002340416 555770235 /nfs/dbraw/zinc/77/02/35/555770235.db2.gz CXEOPBGOOGVGNI-RBZQAINGSA-N 1 1 446.595 2.710 50 0 IFAAMO CC1CCN(c2nc(N3CC[NH+](C)CC3)nc3c2CN(C(=O)c2ccccc2)CC3)CC1 ZINC000034676716 555794598 /nfs/dbraw/zinc/79/45/98/555794598.db2.gz YSMNIQAOAIXGRG-UHFFFAOYSA-N 1 1 434.588 2.663 50 0 IFAAMO Cc1cccc(C(=O)N2CCc3nc(N4CCC(C)CC4)nc(N4CC[NH+](C)CC4)c3C2)c1 ZINC000034676687 555794720 /nfs/dbraw/zinc/79/47/20/555794720.db2.gz PNJHFGVNFUDZDX-UHFFFAOYSA-N 1 1 448.615 2.972 50 0 IFAAMO Cc1cccc(NC(=O)c2coc(CN3CC[NH+](C[C@@H](O)COC(C)(C)C)CC3)n2)c1 ZINC000034677319 555795346 /nfs/dbraw/zinc/79/53/46/555795346.db2.gz GQMLYHAOLLMQTL-LJQANCHMSA-N 1 1 430.549 2.529 50 0 IFAAMO C[NH+](C)CCNC(=O)c1coc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000034684548 555820226 /nfs/dbraw/zinc/82/02/26/555820226.db2.gz JQUJYVABMACMPK-UHFFFAOYSA-N 1 1 447.583 2.873 50 0 IFAAMO Cc1ccc(NC(=O)N2CCc3nc(N4CCCC4)nc(N4CC[NH+](C)CC4)c3C2)cc1 ZINC000034756627 555901729 /nfs/dbraw/zinc/90/17/29/555901729.db2.gz SFYMNMPXXSKPFL-UHFFFAOYSA-N 1 1 435.576 2.727 50 0 IFAAMO CC[NH+]1CCN(C(=O)c2cc3n(n2)CCN(Cc2c(Cl)cccc2Cl)C3=O)CC1 ZINC000034811674 555909420 /nfs/dbraw/zinc/90/94/20/555909420.db2.gz CQTIUPJQWJDTSJ-UHFFFAOYSA-N 1 1 436.343 2.624 50 0 IFAAMO COCC(=O)N[C@H](C)[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccc(OC)cc1 ZINC000034855623 555924304 /nfs/dbraw/zinc/92/43/04/555924304.db2.gz MZRXUTUVUULZTI-GYCJOSAFSA-N 1 1 428.529 2.963 50 0 IFAAMO COCC(=O)N[C@H](C)[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000034855623 555924310 /nfs/dbraw/zinc/92/43/10/555924310.db2.gz MZRXUTUVUULZTI-GYCJOSAFSA-N 1 1 428.529 2.963 50 0 IFAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@]1(O)c2ccccc2NC(=O)N1c1c(F)cccc1F ZINC000003670164 555945436 /nfs/dbraw/zinc/94/54/36/555945436.db2.gz HUSYJKPYFMYEPF-JLCFBVMHSA-N 1 1 430.455 2.763 50 0 IFAAMO C[N@H+](CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)[C@@H]1CCCc2ccccc21 ZINC000008746077 556209656 /nfs/dbraw/zinc/20/96/56/556209656.db2.gz BYPPENLLCHBPQV-BWKNWUBXSA-N 1 1 434.540 2.970 50 0 IFAAMO C[N@@H+](CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)[C@@H]1CCCc2ccccc21 ZINC000008746077 556209660 /nfs/dbraw/zinc/20/96/60/556209660.db2.gz BYPPENLLCHBPQV-BWKNWUBXSA-N 1 1 434.540 2.970 50 0 IFAAMO C[NH+](C)CCNc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000013691690 556281115 /nfs/dbraw/zinc/28/11/15/556281115.db2.gz NMYPKDZFDBXMKX-UHFFFAOYSA-N 1 1 429.498 2.919 50 0 IFAAMO COc1ccc2c(cc(C(=O)N[C@@H](C)C(=O)N3CC[NH+](Cc4ccccc4)CC3)n2C)c1 ZINC000013692808 556282573 /nfs/dbraw/zinc/28/25/73/556282573.db2.gz YONZNZMITONVBV-SFHVURJKSA-N 1 1 434.540 2.650 50 0 IFAAMO CC[NH+]1CCN(C(=O)CN(c2ccc(F)c(Cl)c2)S(=O)(=O)c2ccccc2)CC1 ZINC000013845238 556318767 /nfs/dbraw/zinc/31/87/67/556318767.db2.gz XWWNHEYAFXDQLA-UHFFFAOYSA-N 1 1 439.940 2.839 50 0 IFAAMO CN1C(=O)C(=O)N(CN2CC[NH+](Cc3ccc(-c4ccccc4Cl)s3)CC2)C1=O ZINC000032770223 556334596 /nfs/dbraw/zinc/33/45/96/556334596.db2.gz OUEKLXLZPAHOCF-UHFFFAOYSA-N 1 1 432.933 2.564 50 0 IFAAMO COc1cccc(CNC(=O)c2c(OC)cc(=O)n3c2CC[N@@H+](CCC(C)C)CC3)c1 ZINC000011868328 556368560 /nfs/dbraw/zinc/36/85/60/556368560.db2.gz GJGSLICZSSGKTQ-UHFFFAOYSA-N 1 1 427.545 2.700 50 0 IFAAMO COCCC(=O)N[C@@H](C)c1nnc2n1CC[N@H+](Cc1cnc(-c3ccccc3)s1)CC2 ZINC000011882331 556373669 /nfs/dbraw/zinc/37/36/69/556373669.db2.gz QMTYMBCWQGKURV-INIZCTEOSA-N 1 1 440.573 2.674 50 0 IFAAMO CCCCN(C(=O)C[N@@H+](Cc1ccccc1)C(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000014129413 556374493 /nfs/dbraw/zinc/37/44/93/556374493.db2.gz VXIXVLPIAZCYSM-UHFFFAOYSA-N 1 1 443.592 2.819 50 0 IFAAMO COc1cc(=O)n2c(c1C(=O)N1CCCC1)CC[N@H+](CC1=CC[C@H]3C[C@@H]1C3(C)C)CC2 ZINC000011911060 556375306 /nfs/dbraw/zinc/37/53/06/556375306.db2.gz VYBBGHHOWFENTF-OALUTQOASA-N 1 1 425.573 2.943 50 0 IFAAMO Cc1cccc(C(=O)Nc2nc3c(s2)C(=O)C[C@@H](C(=O)N2CCC[N@@H+](C)CC2)C3)c1C ZINC000012035109 556389567 /nfs/dbraw/zinc/38/95/67/556389567.db2.gz SVCMWQNBVZTMQD-INIZCTEOSA-N 1 1 440.569 2.921 50 0 IFAAMO Cc1cccc(C(=O)Nc2nc3c(s2)C(=O)C[C@@H](C(=O)N2CCC[N@H+](C)CC2)C3)c1C ZINC000012035109 556389568 /nfs/dbraw/zinc/38/95/68/556389568.db2.gz SVCMWQNBVZTMQD-INIZCTEOSA-N 1 1 440.569 2.921 50 0 IFAAMO CCN1C[C@H](C[N@H+](C)C[C@@H](O)COc2ccc(C(C)=O)cc2OC)Oc2ccccc21 ZINC000032814659 556400389 /nfs/dbraw/zinc/40/03/89/556400389.db2.gz QSGVEDDHVXAIEO-UXHICEINSA-N 1 1 428.529 2.857 50 0 IFAAMO CCN1C[C@H](C[N@@H+](C)C[C@@H](O)COc2ccc(C(C)=O)cc2OC)Oc2ccccc21 ZINC000032814659 556400393 /nfs/dbraw/zinc/40/03/93/556400393.db2.gz QSGVEDDHVXAIEO-UXHICEINSA-N 1 1 428.529 2.857 50 0 IFAAMO O=C(CN1CCN(Cc2nc3ccccc3s2)CC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000022930042 556403565 /nfs/dbraw/zinc/40/35/65/556403565.db2.gz IAHYMBCICRECRE-OAQYLSRUSA-N 1 1 449.624 2.805 50 0 IFAAMO CC(C)[C@H](C)[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C1CC1 ZINC000032825566 556410885 /nfs/dbraw/zinc/41/08/85/556410885.db2.gz UVDSHMDKLUTVHW-INIZCTEOSA-N 1 1 427.998 2.682 50 0 IFAAMO COCCN1C(=O)N(CCc2ccccc2)C(=O)C12CC[NH+](Cc1nccs1)CC2 ZINC000014539640 556424973 /nfs/dbraw/zinc/42/49/73/556424973.db2.gz LFQQKXMYVYDIHC-UHFFFAOYSA-N 1 1 428.558 2.631 50 0 IFAAMO CCn1nc(C(=O)N2CCCC2)c2c1CC[C@H](N1CCC([N@H+]3C[C@@H](C)O[C@@H](C)C3)CC1)C2 ZINC000014733526 556437903 /nfs/dbraw/zinc/43/79/03/556437903.db2.gz BBNQKFREYRNHNM-ZVDOUQERSA-N 1 1 443.636 2.570 50 0 IFAAMO CCn1nc(C(=O)N2CCCC2)c2c1CC[C@H](N1CCC([N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC1)C2 ZINC000014733526 556437904 /nfs/dbraw/zinc/43/79/04/556437904.db2.gz BBNQKFREYRNHNM-ZVDOUQERSA-N 1 1 443.636 2.570 50 0 IFAAMO COc1ccc([C@@H](CNC(=O)c2nn(-c3ccc(OC)cc3)ccc2=O)[NH+]2CCCC2)cc1 ZINC000028293378 556451052 /nfs/dbraw/zinc/45/10/52/556451052.db2.gz GIQCQIRSCNSXPR-JOCHJYFZSA-N 1 1 448.523 2.817 50 0 IFAAMO Cc1cc(C(=O)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c(C)n1NC(=O)c1nn(C)c(=O)c2ccccc21 ZINC000013095286 556456238 /nfs/dbraw/zinc/45/62/38/556456238.db2.gz RQWULUOKLMKSFB-IYBDPMFKSA-N 1 1 449.555 2.896 50 0 IFAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(OC)ccc1OC1CCN(C(=O)C2CC2)CC1 ZINC000014978421 556469645 /nfs/dbraw/zinc/46/96/45/556469645.db2.gz WKBKZFFMNSTCKU-SFHVURJKSA-N 1 1 429.561 2.689 50 0 IFAAMO COCC(=O)N[C@@H](CC(C)C)c1nnc2n1CC[N@H+](Cc1ccc(SC)cc1)CC2 ZINC000014994002 556476463 /nfs/dbraw/zinc/47/64/63/556476463.db2.gz XZUALWMXSCTHPY-IBGZPJMESA-N 1 1 431.606 2.908 50 0 IFAAMO COc1ccc(C(=O)NCCC[N@H+]2CCN(C)C[C@@H]2c2ccccc2)c(OC)c1OC ZINC000030000159 556488953 /nfs/dbraw/zinc/48/89/53/556488953.db2.gz FHJZYMWNCRBJJR-HXUWFJFHSA-N 1 1 427.545 2.821 50 0 IFAAMO COc1ccc(C(=O)NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)c(OC)c1OC ZINC000030000159 556488954 /nfs/dbraw/zinc/48/89/54/556488954.db2.gz FHJZYMWNCRBJJR-HXUWFJFHSA-N 1 1 427.545 2.821 50 0 IFAAMO COc1ccc(C(=O)NCCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)c(OC)c1OC ZINC000030000159 556488955 /nfs/dbraw/zinc/48/89/55/556488955.db2.gz FHJZYMWNCRBJJR-HXUWFJFHSA-N 1 1 427.545 2.821 50 0 IFAAMO COc1ccc2c(c1)C[C@@H](NC(=O)NCCC[NH+]1CCN(Cc3ccccc3)CC1)CO2 ZINC000022938112 556508221 /nfs/dbraw/zinc/50/82/21/556508221.db2.gz JANOWEXRSMGTKM-JOCHJYFZSA-N 1 1 438.572 2.506 50 0 IFAAMO Cc1c(OCC(=O)NCCC[NH+]2CCOCC2)ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000013555879 556516521 /nfs/dbraw/zinc/51/65/21/556516521.db2.gz ZKMWOBLNIFOCRG-UHFFFAOYSA-N 1 1 436.508 2.986 50 0 IFAAMO C[C@@H]1C[N@H+](CCCNC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)C[C@H](C)O1 ZINC000032899243 556527040 /nfs/dbraw/zinc/52/70/40/556527040.db2.gz UOWBTIDFDKETCX-CALCHBBNSA-N 1 1 449.548 2.856 50 0 IFAAMO Cn1cccc1[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 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COC(=O)C1CCN(C[C@H](O)COc2ccc(C[N@H+](C)Cc3ccccc3)cc2)CC1 ZINC000012439344 522916990 /nfs/dbraw/zinc/91/69/90/522916990.db2.gz LWUFDPUATYKFCD-QHCPKHFHSA-N 1 1 426.557 2.943 50 0 IFAAMO COC(=O)C1CCN(C[C@H](O)COc2ccc(C[N@@H+](C)Cc3ccccc3)cc2)CC1 ZINC000012439344 522916991 /nfs/dbraw/zinc/91/69/91/522916991.db2.gz LWUFDPUATYKFCD-QHCPKHFHSA-N 1 1 426.557 2.943 50 0 IFAAMO COc1ccc(-c2cc(C(=O)N(CC(=O)N3CC[NH+](C)CC3)Cc3ccccc3)no2)cc1 ZINC000035989619 523092238 /nfs/dbraw/zinc/09/22/38/523092238.db2.gz XRIREEZSVCSAHX-UHFFFAOYSA-N 1 1 448.523 2.767 50 0 IFAAMO C[N@H+](Cc1ccccc1)Cc1cc(=O)[nH]c(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1 ZINC000035926478 523347405 /nfs/dbraw/zinc/34/74/05/523347405.db2.gz UPWDHFYELJDSSS-UHFFFAOYSA-N 1 1 435.503 2.503 50 0 IFAAMO C[N@@H+](Cc1ccccc1)Cc1cc(=O)[nH]c(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1 ZINC000035926478 523347418 /nfs/dbraw/zinc/34/74/18/523347418.db2.gz UPWDHFYELJDSSS-UHFFFAOYSA-N 1 1 435.503 2.503 50 0 IFAAMO COc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCN(c2cc(N(C)C)nc(C)[nH+]2)CC1 ZINC000021794645 523786878 /nfs/dbraw/zinc/78/68/78/523786878.db2.gz MONCZKJXMNMWBG-UHFFFAOYSA-N 1 1 447.605 2.668 50 0 IFAAMO C[NH+]1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)c2ccccc2)CC1 ZINC000014868720 523927229 /nfs/dbraw/zinc/92/72/29/523927229.db2.gz XDDBBXJZOFYHCU-UHFFFAOYSA-N 1 1 442.585 2.865 50 0 IFAAMO COc1ccc(CN(C)Cc2nonc2C)cc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000012439841 524008563 /nfs/dbraw/zinc/00/85/63/524008563.db2.gz WWHBQZQJNUGFEG-OAQYLSRUSA-N 1 1 440.544 2.890 50 0 IFAAMO C[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc(COc2ccc(-n3cncn3)cc2)on1 ZINC000020453702 524028739 /nfs/dbraw/zinc/02/87/39/524028739.db2.gz SFZXGCMVZUZBRM-HXUWFJFHSA-N 1 1 444.495 2.621 50 0 IFAAMO C[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc(COc2ccc(-n3cncn3)cc2)on1 ZINC000020453702 524028741 /nfs/dbraw/zinc/02/87/41/524028741.db2.gz SFZXGCMVZUZBRM-HXUWFJFHSA-N 1 1 444.495 2.621 50 0 IFAAMO COc1cccc([C@@H]2NC(=[NH2+])Nc3nc4cc5c(cc4n32)OCCCO5)c1OC(F)F ZINC000012506911 524131342 /nfs/dbraw/zinc/13/13/42/524131342.db2.gz ZOFZPDZVWMXHTG-QGZVFWFLSA-N 1 1 431.399 2.904 50 0 IFAAMO Cc1cc(C)c(OC[C@@H](O)C[N@@H+](CCO)C[C@@H](O)Cn2ccc3ccccc32)c(C)c1 ZINC000020807844 524310670 /nfs/dbraw/zinc/31/06/70/524310670.db2.gz CQQPPAXBZHIFBR-PKTZIBPZSA-N 1 1 426.557 2.662 50 0 IFAAMO C[C@@H](C[N@@H+]1CCc2nnc(CCNC(=O)Cc3ccc(F)cc3)n2CC1)c1ccccc1 ZINC000012097943 524632460 /nfs/dbraw/zinc/63/24/60/524632460.db2.gz FREKWMRLBGUJCC-IBGZPJMESA-N 1 1 435.547 2.980 50 0 IFAAMO COc1ccc(OC)c(NC(=O)N2CCN(c3cc(N4CCCC4)nc(C)[nH+]3)CC2)c1 ZINC000021795124 524858201 /nfs/dbraw/zinc/85/82/01/524858201.db2.gz KZQJSHMARJUSEI-UHFFFAOYSA-N 1 1 426.521 2.757 50 0 IFAAMO Cc1ccc(N([C@@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)S(C)(=O)=O)cc1C ZINC000020529914 524901381 /nfs/dbraw/zinc/90/13/81/524901381.db2.gz NZWSALOLLHZZCH-FQEVSTJZSA-N 1 1 429.586 2.802 50 0 IFAAMO COc1ccc(OC[C@@H](O)C[NH+]2CCC(O)CC2)c(CNCc2cc(F)ccc2C)c1 ZINC000012591883 524967673 /nfs/dbraw/zinc/96/76/73/524967673.db2.gz CUGVICLSSMUPPG-QFIPXVFZSA-N 1 1 432.536 2.629 50 0 IFAAMO COc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](Cc3ccc4c(c3)OCCO4)C2)cc1 ZINC000012465818 525062684 /nfs/dbraw/zinc/06/26/84/525062684.db2.gz TVRKVEZRLHAHRR-SFHVURJKSA-N 1 1 432.542 2.657 50 0 IFAAMO C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)NN1CC[NH+](C)CC1 ZINC000012844850 526000816 /nfs/dbraw/zinc/00/08/16/526000816.db2.gz OODAYXXSUSUCJW-CYBMUJFWSA-N 1 1 425.480 2.922 50 0 IFAAMO O=C(C1CCN(S(=O)(=O)Cc2ccccc2)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020898383 526305199 /nfs/dbraw/zinc/30/51/99/526305199.db2.gz MUDFCKCJJSZOPA-UHFFFAOYSA-N 1 1 441.597 2.573 50 0 IFAAMO O=C(CC1=CSC2=NCCN12)N1CCC[C@H]([NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000012433181 526340145 /nfs/dbraw/zinc/34/01/45/526340145.db2.gz VZDFCJZUDDRTDF-KRWDZBQOSA-N 1 1 429.565 2.589 50 0 IFAAMO c1cc2c(c(C[N@@H+]3CCC[C@@H](N4CCN(Cc5ccc6c(c5)OCO6)CC4)C3)c1)OCO2 ZINC000020601143 526437913 /nfs/dbraw/zinc/43/79/13/526437913.db2.gz AAPAEUQGIOSHDO-OAQYLSRUSA-N 1 1 437.540 2.926 50 0 IFAAMO c1cc2c(c(CN3CCC[C@@H]([NH+]4CCN(Cc5ccc6c(c5)OCO6)CC4)C3)c1)OCO2 ZINC000020601143 526437920 /nfs/dbraw/zinc/43/79/20/526437920.db2.gz AAPAEUQGIOSHDO-OAQYLSRUSA-N 1 1 437.540 2.926 50 0 IFAAMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccc(N3CCNC3=O)cc2)C1)c1ccc2c(c1)OCO2 ZINC000012701353 526594999 /nfs/dbraw/zinc/59/49/99/526594999.db2.gz DLDBIPUTIOBDNE-GOSISDBHSA-N 1 1 436.512 2.587 50 0 IFAAMO O=C(CCc1cnccn1)N1CCC[C@@H](CCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000020539631 526637966 /nfs/dbraw/zinc/63/79/66/526637966.db2.gz DYLWYXUYHXJMBB-QHCPKHFHSA-N 1 1 449.599 2.772 50 0 IFAAMO Cc1nc(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)nn1-c1ccc(Cl)cc1 ZINC000021936269 526650610 /nfs/dbraw/zinc/65/06/10/526650610.db2.gz YYQKLZKATCWMED-UHFFFAOYSA-N 1 1 425.920 2.991 50 0 IFAAMO O=C(CCc1nnc2ccc(NCc3ccco3)nn21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000021024028 526665188 /nfs/dbraw/zinc/66/51/88/526665188.db2.gz OCZKVIJNUNLEDC-UHFFFAOYSA-N 1 1 445.527 2.606 50 0 IFAAMO O=C(CN1CCN(C(=O)C[N@H+]2CCC[C@H]2c2cccs2)CC1)Nc1ccc(F)cc1 ZINC000035278989 526761834 /nfs/dbraw/zinc/76/18/34/526761834.db2.gz HYLLAVXULLTION-IBGZPJMESA-N 1 1 430.549 2.807 50 0 IFAAMO O=C(NCc1nnc2n1CC[N@H+](Cc1ccc(OC(F)(F)F)cc1)CC2)c1ccncc1 ZINC000020450815 526839693 /nfs/dbraw/zinc/83/96/93/526839693.db2.gz NZWKLSOQWBVJFH-UHFFFAOYSA-N 1 1 446.433 2.560 50 0 IFAAMO O=C(COc1ccccc1)NCCc1nnc2n1CC[N@@H+](Cc1cccc(Cl)c1)CC2 ZINC000012149746 526984484 /nfs/dbraw/zinc/98/44/84/526984484.db2.gz GJVHBMBZHCWWJV-UHFFFAOYSA-N 1 1 439.947 2.728 50 0 IFAAMO O=C(COc1ccccc1)NCCc1nnc2n1CC[N@H+](Cc1cccc(Cl)c1)CC2 ZINC000012149746 526984488 /nfs/dbraw/zinc/98/44/88/526984488.db2.gz GJVHBMBZHCWWJV-UHFFFAOYSA-N 1 1 439.947 2.728 50 0 IFAAMO O=C1C[C@@H](NCCC[NH+]2CCN(c3ccc(F)cc3)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000020458083 527019961 /nfs/dbraw/zinc/01/99/61/527019961.db2.gz AMGBDWDUFPVZLA-OAQYLSRUSA-N 1 1 444.938 2.913 50 0 IFAAMO O=C(NC1CCCC1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000035807634 527507688 /nfs/dbraw/zinc/50/76/88/527507688.db2.gz SAPRKDGLPXUFSO-RPWUZVMVSA-N 1 1 430.552 2.969 50 0 IFAAMO O=C(NCCC[NH+]1CCOCC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCSC[C@@H]12 ZINC000035907893 527672367 /nfs/dbraw/zinc/67/23/67/527672367.db2.gz MSFHIFDTGPGSFL-HKUYNNGSSA-N 1 1 443.535 2.638 50 0 IFAAMO O=C(NCCC[NH+]1CCOCC1)c1cnn2c1N[C@@H](c1ccccc1)C[C@H]2C(F)(F)F ZINC000012845530 527673119 /nfs/dbraw/zinc/67/31/19/527673119.db2.gz LGNZOCCREPMYEY-MSOLQXFVSA-N 1 1 437.466 2.996 50 0 IFAAMO O=C(NCc1ccc(S(=O)(=O)NCC[NH+]2CCCC2)s1)c1ccc(Cl)cc1 ZINC000001025844 555604339 /nfs/dbraw/zinc/60/43/39/555604339.db2.gz UZPCHQTXULKJBZ-UHFFFAOYSA-N 1 1 427.979 2.706 50 0 IFAAMO Cc1c(C(=O)N2CCOC[C@@H]2C)nnn1-c1cccc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000071889580 555725674 /nfs/dbraw/zinc/72/56/74/555725674.db2.gz KVIVSTRFLNAXJF-SFHVURJKSA-N 1 1 431.540 2.995 50 0 IFAAMO CC(C)[N@@H+](C)C[C@@H](O)CN1CCN(c2ccc(NC(=O)/C=C/c3ccccc3)cn2)CC1 ZINC000034668028 555792065 /nfs/dbraw/zinc/79/20/65/555792065.db2.gz SHQUVPCXNPAAJC-JYLQPTBZSA-N 1 1 437.588 2.557 50 0 IFAAMO Cc1ccc(NC(=O)c2coc(CN3CC[NH+](C[C@@H](O)COCC(C)C)CC3)n2)cc1F ZINC000034677461 555795653 /nfs/dbraw/zinc/79/56/53/555795653.db2.gz MZRBJCAWGGOHGB-LJQANCHMSA-N 1 1 448.539 2.526 50 0 IFAAMO COc1c(C)cc(-c2ccc3nc(C(=O)NCCC[NH+]4CCN(C)CC4)cn3c2)cc1C ZINC000034831186 555912255 /nfs/dbraw/zinc/91/22/55/555912255.db2.gz PKRPUWRDTJNCFQ-UHFFFAOYSA-N 1 1 435.572 2.994 50 0 IFAAMO COc1ccc([C@H]2N(C(=O)C[NH+]3CCCCC3)CCN2S(=O)(=O)c2ccccc2)cc1 ZINC000003640891 555943426 /nfs/dbraw/zinc/94/34/26/555943426.db2.gz KTCAZEPAQXCZBX-QHCPKHFHSA-N 1 1 443.569 2.713 50 0 IFAAMO CN1CC(=O)N(CCCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1=O ZINC000032738563 556308469 /nfs/dbraw/zinc/30/84/69/556308469.db2.gz JHIIQRUKIWHIBD-UHFFFAOYSA-N 1 1 434.540 2.594 50 0 IFAAMO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N(CCC(N)=O)c2ccc(F)cc2)c(OC)c1 ZINC000032774351 556336622 /nfs/dbraw/zinc/33/66/22/556336622.db2.gz 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C[NH+](C)CCN(C[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)c1n[nH]c2c1CCC2 ZINC000011936712 556378882 /nfs/dbraw/zinc/37/88/82/556378882.db2.gz ZKVTXUAVHQQRMM-SFHVURJKSA-N 1 1 427.568 2.954 50 0 IFAAMO CN(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000014228829 556396029 /nfs/dbraw/zinc/39/60/29/556396029.db2.gz WNWDCQYDHSVKJR-UHFFFAOYSA-N 1 1 439.581 2.580 50 0 IFAAMO CN(C[C@H]1COCCO1)C(=O)C1CC[NH+](C2CCN(CCCc3ccccc3)CC2)CC1 ZINC000012075639 556397501 /nfs/dbraw/zinc/39/75/01/556397501.db2.gz OWQSQBVDOOEHTD-VWLOTQADSA-N 1 1 443.632 2.669 50 0 IFAAMO CN(C[C@H]1COCCO1)C(=O)C1CCN(C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000012075639 556397505 /nfs/dbraw/zinc/39/75/05/556397505.db2.gz OWQSQBVDOOEHTD-VWLOTQADSA-N 1 1 443.632 2.669 50 0 IFAAMO COc1ccc(OC)c([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)c1 ZINC000014244244 556403954 /nfs/dbraw/zinc/40/39/54/556403954.db2.gz PBBWDCYHFZPDJP-CVEARBPZSA-N 1 1 449.573 2.940 50 0 IFAAMO 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439.556 2.849 50 0 IFAAMO CC[C@@H]([NH2+]Cc1nc2ccccc2c(=O)n1CC(N)=O)c1ccc(Br)cc1 ZINC000016695277 556628542 /nfs/dbraw/zinc/62/85/42/556628542.db2.gz OQJMOSNKCCELFV-MRXNPFEDSA-N 1 1 429.318 2.885 50 0 IFAAMO CCOC(=O)N1CCC([N@H+]2CCOc3ccc(CN4CCC[C@H]4C(=O)OC)cc3C2)CC1 ZINC000055091075 556734428 /nfs/dbraw/zinc/73/44/28/556734428.db2.gz CMXAVRLJTREIDB-NRFANRHFSA-N 1 1 445.560 2.639 50 0 IFAAMO CNS(=O)(=O)c1cc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)ccc1F ZINC000079054119 556738179 /nfs/dbraw/zinc/73/81/79/556738179.db2.gz WGXOMGVFFROYDG-UZLBHIALSA-N 1 1 433.549 2.716 50 0 IFAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)CN3C(=O)N[C@](C)(C4CC4)C3=O)cc2)C1 ZINC000058144314 556761420 /nfs/dbraw/zinc/76/14/20/556761420.db2.gz YAOHMCBUQAKYRN-XVTZWQNCSA-N 1 1 426.561 2.501 50 0 IFAAMO CC[NH+](CC)CC1CCN([C@@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)CC1 ZINC000058296919 556778300 /nfs/dbraw/zinc/77/83/00/556778300.db2.gz LETBIPJPVKUOEO-AWEZNQCLSA-N 1 1 428.499 2.601 50 0 IFAAMO 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CCOC(=O)c1cccc(OC[C@H](O)C[N@H+]2CCCN(Cc3ccc(F)cc3)CC2)c1 ZINC000025306379 557203132 /nfs/dbraw/zinc/20/31/32/557203132.db2.gz SPEJKAUHWHEELZ-JOCHJYFZSA-N 1 1 430.520 2.950 50 0 IFAAMO CCOC(=O)c1cccc(OC[C@H](O)CN2CCC[N@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000025306379 557203135 /nfs/dbraw/zinc/20/31/35/557203135.db2.gz SPEJKAUHWHEELZ-JOCHJYFZSA-N 1 1 430.520 2.950 50 0 IFAAMO CCOC(=O)c1cccc(OC[C@H](O)CN2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000025306379 557203138 /nfs/dbraw/zinc/20/31/38/557203138.db2.gz SPEJKAUHWHEELZ-JOCHJYFZSA-N 1 1 430.520 2.950 50 0 IFAAMO CN1C(=O)CO[C@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000072241262 557206654 /nfs/dbraw/zinc/20/66/54/557206654.db2.gz AFZNOOBAAIHZAW-YADHBBJMSA-N 1 1 427.932 2.583 50 0 IFAAMO NC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000247748619 557213721 /nfs/dbraw/zinc/21/37/21/557213721.db2.gz RESSSVYMVVHWDL-BDXSIMOUSA-N 1 1 427.382 2.706 50 0 IFAAMO 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CS(=O)(=O)NC1=NC2=[NH+]C(c3ccc(Br)cc3)=C[C@H](c3ccccc3)N2N1 ZINC000100486424 557409122 /nfs/dbraw/zinc/40/91/22/557409122.db2.gz DMGGJCYYAQOUKF-MRXNPFEDSA-N 1 1 446.330 2.626 50 0 IFAAMO C[N@H+](CCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CCC1)Cc1ccccc1 ZINC000004971556 557421042 /nfs/dbraw/zinc/42/10/42/557421042.db2.gz IFZQWDZWZHPGNC-UHFFFAOYSA-N 1 1 427.570 2.786 50 0 IFAAMO C[N@@H+](CCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CCC1)Cc1ccccc1 ZINC000004971556 557421044 /nfs/dbraw/zinc/42/10/44/557421044.db2.gz IFZQWDZWZHPGNC-UHFFFAOYSA-N 1 1 427.570 2.786 50 0 IFAAMO COCCN(C[C@H]1C[N@H+](C[C@H](O)C(C)C)CCO1)C(=O)c1cccc(C(F)(F)F)c1 ZINC000105039110 557473374 /nfs/dbraw/zinc/47/33/74/557473374.db2.gz LFWWSUFYDGEFMG-MOPGFXCFSA-N 1 1 432.483 2.512 50 0 IFAAMO COCCN(C[C@H]1C[N@@H+](C[C@H](O)C(C)C)CCO1)C(=O)c1cccc(C(F)(F)F)c1 ZINC000105039110 557473376 /nfs/dbraw/zinc/47/33/76/557473376.db2.gz LFWWSUFYDGEFMG-MOPGFXCFSA-N 1 1 432.483 2.512 50 0 IFAAMO O=C(NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)c1csc(I)c1 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/nfs/dbraw/zinc/02/25/88/563022588.db2.gz LBSVETHHTRRNEP-UHFFFAOYSA-N 1 1 430.452 2.686 50 0 IFAAMO COc1ccc(C(=O)N2CCC[C@@H]([NH+]3CCN(c4ccccc4F)CC3)C2)c(OC)n1 ZINC000055153054 563142424 /nfs/dbraw/zinc/14/24/24/563142424.db2.gz IMHLVXLVMJRSGR-QGZVFWFLSA-N 1 1 428.508 2.665 50 0 IFAAMO COc1ccc(Cn2c(CN3CCC[C@H](C(=O)N4CC[NH2+]CC4)C3)nc3ccccc32)cc1 ZINC000247890926 568632346 /nfs/dbraw/zinc/63/23/46/568632346.db2.gz MTISEVDGFOSZHB-NRFANRHFSA-N 1 1 447.583 2.737 50 0 IFAAMO COc1cccc(C[N@H+]2CCC[C@@]3(CCN(C(=O)CCCn4cncn4)C3)C2)c1OC ZINC000015063603 568635316 /nfs/dbraw/zinc/63/53/16/568635316.db2.gz GEWMKPSQRACXPC-HSZRJFAPSA-N 1 1 427.549 2.590 50 0 IFAAMO CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000025407373 568657653 /nfs/dbraw/zinc/65/76/53/568657653.db2.gz HQFJQXMCDAKBOI-ZRGWGRIASA-N 1 1 425.520 2.723 50 0 IFAAMO CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000025407373 568657657 /nfs/dbraw/zinc/65/76/57/568657657.db2.gz HQFJQXMCDAKBOI-ZRGWGRIASA-N 1 1 425.520 2.723 50 0 IFAAMO CCOC(=O)c1ccc(N2C(=O)C[C@@H]([NH+]3CCC(C(=O)Nc4ccccc4)CC3)C2=O)cc1 ZINC000015470167 568784565 /nfs/dbraw/zinc/78/45/65/568784565.db2.gz REJYUQIJEIDJRE-OAQYLSRUSA-N 1 1 449.507 2.846 50 0 IFAAMO NC(=O)C1([NH2+]CC(=O)Nc2ccc(Oc3ccc(Br)cc3)nc2)CCCC1 ZINC000084419181 568797892 /nfs/dbraw/zinc/79/78/92/568797892.db2.gz DZYBROWGNPCCIP-UHFFFAOYSA-N 1 1 433.306 2.963 50 0 IFAAMO Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)CCc3nnc4ccc(N5CCCC5)nn43)C2)cc1 ZINC000015678736 568805445 /nfs/dbraw/zinc/80/54/45/568805445.db2.gz RMZVLCGEOVQVQC-NRFANRHFSA-N 1 1 447.587 2.604 50 0 IFAAMO COc1ccc(-c2noc(C[NH+]3CCC(C(=O)NCc4ccco4)CC3)n2)cc1OC ZINC000015726314 568812330 /nfs/dbraw/zinc/81/23/30/568812330.db2.gz QLHILPLRVGMCQH-UHFFFAOYSA-N 1 1 426.473 2.875 50 0 IFAAMO C[NH+]1CCN(c2nnc(-n3cccc3CN3CCN(c4ccc(F)cc4)CC3)s2)CC1 ZINC000015728189 568813141 /nfs/dbraw/zinc/81/31/41/568813141.db2.gz BOQQNFBSOPHGJI-UHFFFAOYSA-N 1 1 441.580 2.542 50 0 IFAAMO CCCC[N@@H+](CC)CCNC(=O)C1CCN(c2nnc(N3CCCCC3=O)s2)CC1 ZINC000015777496 568824786 /nfs/dbraw/zinc/82/47/86/568824786.db2.gz NRVUEEWBHOFFOF-UHFFFAOYSA-N 1 1 436.626 2.510 50 0 IFAAMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1)c1cc2ccccc2o1 ZINC000575621716 568883166 /nfs/dbraw/zinc/88/31/66/568883166.db2.gz RQMUBFYHAAUVMO-SFHVURJKSA-N 1 1 441.509 2.667 50 0 IFAAMO COc1ccc([C@@H](NC(=O)C[N@@H+]2CCC[C@@H](C(=O)Nc3nncs3)C2)C(C)C)cc1 ZINC000229829944 568887055 /nfs/dbraw/zinc/88/70/55/568887055.db2.gz VHXJWKDCFUNQIT-APWZRJJASA-N 1 1 431.562 2.711 50 0 IFAAMO COc1ccc([C@@H](NC(=O)C[N@H+]2CCC[C@@H](C(=O)Nc3nncs3)C2)C(C)C)cc1 ZINC000229829944 568887058 /nfs/dbraw/zinc/88/70/58/568887058.db2.gz VHXJWKDCFUNQIT-APWZRJJASA-N 1 1 431.562 2.711 50 0 IFAAMO O=C([C@@H]1CSc2nccc(=O)n2C1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000090609891 568891579 /nfs/dbraw/zinc/89/15/79/568891579.db2.gz YPUKPJPSRGHZHT-NRFANRHFSA-N 1 1 446.576 2.899 50 0 IFAAMO 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CCC[N@H+](Cc1nc(=O)c2c(-c3ccc(OC)c(OC)c3)csc2[nH]1)C[C@H](O)COC ZINC000036207733 568973150 /nfs/dbraw/zinc/97/31/50/568973150.db2.gz SREQZECNNYMAOL-HNNXBMFYSA-N 1 1 447.557 2.888 50 0 IFAAMO COc1ccc(OC[C@H](O)C[NH+]2CCN(CCc3ccccn3)CC2)c(C(C)(C)C)c1 ZINC000019369618 568989205 /nfs/dbraw/zinc/98/92/05/568989205.db2.gz LPXORTHSAYOOQS-OAQYLSRUSA-N 1 1 427.589 2.988 50 0 IFAAMO COc1ccc(OC[C@H](O)CN2CC[NH+](CCc3ccccn3)CC2)c(C(C)(C)C)c1 ZINC000019369618 568989207 /nfs/dbraw/zinc/98/92/07/568989207.db2.gz LPXORTHSAYOOQS-OAQYLSRUSA-N 1 1 427.589 2.988 50 0 IFAAMO Cc1c2c(nn1-c1ccccc1)c(C)nn(CC(=O)NCC[N@H+](C)C1CCCCC1)c2=O ZINC000064970766 569076426 /nfs/dbraw/zinc/07/64/26/569076426.db2.gz KKCOVTSPIBFTLJ-UHFFFAOYSA-N 1 1 436.560 2.580 50 0 IFAAMO Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCCC[NH+]3CCOCC3)c2)cc1 ZINC000036329975 569076657 /nfs/dbraw/zinc/07/66/57/569076657.db2.gz IREBLNXNFIUYDK-UHFFFAOYSA-N 1 1 431.558 2.556 50 0 IFAAMO C[NH+]1CCN(CC(=O)N2N=C(c3ccccc3Cl)C[C@H]2c2ccc3c(c2)OCO3)CC1 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