smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc2c(c1)N(CCCC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C(=O)CO2 ZINC000006751254 132314888 /nfs/dbraw/zinc/31/48/88/132314888.db2.gz SGPVJOVSYDOGFO-KDURUIRLSA-N 1 1 401.551 2.985 50 0 HFAAMO Cc1cc(=O)n2c(n1)NC(N1CCN(c3ccccc3)CC1)=[NH+][C@H]2c1ccccc1 ZINC000009264589 132337984 /nfs/dbraw/zinc/33/79/84/132337984.db2.gz FZDGHMNUJMUHRI-OAQYLSRUSA-N 1 1 400.486 2.702 50 0 HFAAMO CCOC(=O)N1CCN([C@@H]2CCC[N@@H+](Cc3cccn3-c3nccs3)C2)CC1 ZINC000020600025 520959166 /nfs/dbraw/zinc/95/91/66/520959166.db2.gz QXOZWPLWSWGTOT-QGZVFWFLSA-N 1 1 403.552 2.672 50 0 HFAAMO Cc1ccc(C[N@H+]2CCCN(C(=O)Cn3nc(C)c4ccccc4c3=O)CC2)cc1 ZINC000032827628 524445261 /nfs/dbraw/zinc/44/52/61/524445261.db2.gz APFPXGONGFFKDN-UHFFFAOYSA-N 1 1 404.514 2.748 50 0 HFAAMO C[C@H](CNC(=O)c1cccc(I)c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000032828408 524467628 /nfs/dbraw/zinc/46/76/28/524467628.db2.gz WBEGXNRJRWRYKO-JHJVBQTASA-N 1 1 402.276 2.519 50 0 HFAAMO C[C@@H](CNC(=O)c1ccc(I)cc1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000032828394 524716414 /nfs/dbraw/zinc/71/64/14/524716414.db2.gz LDRFUFTZDPEKSX-YNEHKIRRSA-N 1 1 402.276 2.519 50 0 HFAAMO COc1ccc([C@@H]2CCC[N@H+]2CCC(=O)N2CCN(c3ccccn3)CC2)c(OC)c1 ZINC000032776773 525251366 /nfs/dbraw/zinc/25/13/66/525251366.db2.gz OUNHDKOTXKIIOB-NRFANRHFSA-N 1 1 424.545 2.975 50 0 HFAAMO COc1ccc([C@H]2CCC[N@H+]2CC(=O)N(CCC(N)=O)c2ccc(OC)cc2)cc1 ZINC000032768833 525413711 /nfs/dbraw/zinc/41/37/11/525413711.db2.gz MCWAPWFXVMMBLE-OAQYLSRUSA-N 1 1 411.502 2.749 50 0 HFAAMO Cc1cc(=O)oc2cc(OC[C@@H](O)C[NH+]3CCN(c4ccc(F)cc4)CC3)ccc12 ZINC000019909117 526150486 /nfs/dbraw/zinc/15/04/86/526150486.db2.gz JFIRXVDEZJPDCW-IBGZPJMESA-N 1 1 412.461 2.802 50 0 HFAAMO O=C(CCCC(=O)Nc1cccc(C(F)(F)F)c1)NCCC[NH+]1CCOCC1 ZINC000019798506 526415239 /nfs/dbraw/zinc/41/52/39/526415239.db2.gz GANZOLWXAYFSMR-UHFFFAOYSA-N 1 1 401.429 2.653 50 0 HFAAMO O=C(C[N@@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1)N1CCN(c2ncccn2)CC1 ZINC000025457577 526823166 /nfs/dbraw/zinc/82/31/66/526823166.db2.gz XLAPYHHJHWVUTI-HSZRJFAPSA-N 1 1 413.525 2.773 50 0 HFAAMO CCOc1ccc(S(=O)(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)cc1F ZINC000012068962 535395494 /nfs/dbraw/zinc/39/54/94/535395494.db2.gz LLNOZAABDNEVMV-UHFFFAOYSA-N 1 1 421.538 2.715 50 0 HFAAMO Cc1c(C(=O)N2C[C@@H](C)O[C@@H](C)C2)nnn1-c1cccc2c1CC[N@@H+](CC1CC1)C2 ZINC000071890452 557315439 /nfs/dbraw/zinc/31/54/39/557315439.db2.gz BOEQXJRTKLBDRR-IYBDPMFKSA-N 1 1 409.534 2.593 50 0 HFAAMO Cc1ccc(-c2ccc(N3CCC[C@@H](C(=O)NCCC[NH+]4CCOCC4)C3)nn2)cc1 ZINC000035398077 557535676 /nfs/dbraw/zinc/53/56/76/557535676.db2.gz YWSLRKZXEXXGNV-OAQYLSRUSA-N 1 1 423.561 2.507 50 0 HFAAMO CC(C)c1cc(=O)n2c(n1)SC[C@@H]2CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022768848 557818595 /nfs/dbraw/zinc/81/85/95/557818595.db2.gz MYTJJFRPGWRHOB-SFHVURJKSA-N 1 1 412.559 2.748 50 0 HFAAMO O=C(C[C@H]1CSc2nc3c(c(=O)n21)CCCC3)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022768931 557818612 /nfs/dbraw/zinc/81/86/12/557818612.db2.gz NFQCZCZDTMNFFS-SFHVURJKSA-N 1 1 424.570 2.503 50 0 HFAAMO Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)N2CC[NH+](Cc3cccc(C)c3)CC2)cc1 ZINC000022914869 558258724 /nfs/dbraw/zinc/25/87/24/558258724.db2.gz HVHODMVDDCFEIY-OAQYLSRUSA-N 1 1 422.573 2.907 50 0 HFAAMO O=C(Nc1sc2c(c1C(=O)NCCC[NH+]1CCOCC1)CCCC2)c1ccco1 ZINC000019792854 558283682 /nfs/dbraw/zinc/28/36/82/558283682.db2.gz SSSKULVZPJAZBL-UHFFFAOYSA-N 1 1 417.531 2.924 50 0 HFAAMO COc1ccc([C@H]2[C@@H]3CCc4ccccc4C3=NN2C(=O)CN2CC[NH+](C)CC2)cc1 ZINC000019835233 558292409 /nfs/dbraw/zinc/29/24/09/558292409.db2.gz UJVVWGZXMYDGMZ-RDGATRHJSA-N 1 1 418.541 2.793 50 0 HFAAMO COc1cccc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccc4nonc43)C2)c1OC ZINC000011878160 558292595 /nfs/dbraw/zinc/29/25/95/558292595.db2.gz DPHYSPONRSCZAQ-HNNXBMFYSA-N 1 1 410.474 2.882 50 0 HFAAMO COCC(=O)N[C@@H](CC(C)C)c1nnc2n1CC[N@@H+](Cc1ccccc1Cl)CC2 ZINC000019838631 558293310 /nfs/dbraw/zinc/29/33/10/558293310.db2.gz OPVHDHOLWNXRPD-SFHVURJKSA-N 1 1 419.957 2.840 50 0 HFAAMO COCC(=O)N[C@@H](CC(C)C)c1nnc2n1CC[N@H+](Cc1ccccc1Cl)CC2 ZINC000019838631 558293313 /nfs/dbraw/zinc/29/33/13/558293313.db2.gz OPVHDHOLWNXRPD-SFHVURJKSA-N 1 1 419.957 2.840 50 0 HFAAMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2cc(OC)c(OC)c(OC)c2)C1 ZINC000011936328 558300203 /nfs/dbraw/zinc/30/02/03/558300203.db2.gz ASHUITJHAOQFGM-AWEZNQCLSA-N 1 1 403.479 2.878 50 0 HFAAMO CN(C)C(=O)N1CCC(C(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)CC1 ZINC000011947124 558302558 /nfs/dbraw/zinc/30/25/58/558302558.db2.gz VCGVJYCBJSLVRQ-LJQANCHMSA-N 1 1 404.530 2.642 50 0 HFAAMO CN(C)C(=O)N1CCC(C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)CC1 ZINC000011947124 558302560 /nfs/dbraw/zinc/30/25/60/558302560.db2.gz VCGVJYCBJSLVRQ-LJQANCHMSA-N 1 1 404.530 2.642 50 0 HFAAMO O=C(NCc1cccc(F)c1F)[C@H]1CCC[N@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000012052833 558314909 /nfs/dbraw/zinc/31/49/09/558314909.db2.gz YMDLSOJCJOYGLV-KRWDZBQOSA-N 1 1 405.489 2.694 50 0 HFAAMO CCOC(=O)N1CCN(C(=O)[C@H]2CC23CC[NH+](Cc2cccc(F)c2F)CC3)CC1 ZINC000012056969 558316410 /nfs/dbraw/zinc/31/64/10/558316410.db2.gz USSABCHFGKVQFB-QGZVFWFLSA-N 1 1 421.488 2.868 50 0 HFAAMO COc1ccc(C(=O)NC2CC2)c(OC2CC[NH+](Cc3ccc(CO)o3)CC2)c1 ZINC000012057474 558316429 /nfs/dbraw/zinc/31/64/29/558316429.db2.gz MQIXMZBMFNWMFK-UHFFFAOYSA-N 1 1 400.475 2.716 50 0 HFAAMO CN(C)c1nc(Cl)c(C[N@@H+]2CCC[C@@H](CCC(=O)N3CCOCC3)C2)s1 ZINC000012058600 558316795 /nfs/dbraw/zinc/31/67/95/558316795.db2.gz WHBYJPYRFNPTBS-AWEZNQCLSA-N 1 1 400.976 2.714 50 0 HFAAMO CN(C)c1nc(Cl)c(C[N@H+]2CCC[C@@H](CCC(=O)N3CCOCC3)C2)s1 ZINC000012058600 558316797 /nfs/dbraw/zinc/31/67/97/558316797.db2.gz WHBYJPYRFNPTBS-AWEZNQCLSA-N 1 1 400.976 2.714 50 0 HFAAMO COc1ccc(CC(=O)NC[C@@H]2CCC[N@H+](Cc3cnc(SC)nc3)C2)cc1 ZINC000012073611 558318442 /nfs/dbraw/zinc/31/84/42/558318442.db2.gz YICZTRSJMPZLMH-KRWDZBQOSA-N 1 1 400.548 2.778 50 0 HFAAMO COc1ccc(CC(=O)NC[C@@H]2CCC[N@@H+](Cc3cnc(SC)nc3)C2)cc1 ZINC000012073611 558318445 /nfs/dbraw/zinc/31/84/45/558318445.db2.gz YICZTRSJMPZLMH-KRWDZBQOSA-N 1 1 400.548 2.778 50 0 HFAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000012197816 558350328 /nfs/dbraw/zinc/35/03/28/558350328.db2.gz KTFUVVUOYKNKAS-OAQYLSRUSA-N 1 1 403.542 2.988 50 0 HFAAMO O=C1CC[C@H](CC[NH2+]Cc2cccnc2)N1CC1(N2CCOCC2)CCCCC1 ZINC000012218871 558354843 /nfs/dbraw/zinc/35/48/43/558354843.db2.gz LUUBGNNRSMHBDG-OAQYLSRUSA-N 1 1 400.567 2.587 50 0 HFAAMO COc1ccc(C[N@H+]2CCN(Cc3ccc4c(c3)OCCO4)C[C@@H]2CCO)cc1C ZINC000020363694 558358420 /nfs/dbraw/zinc/35/84/20/558358420.db2.gz MLIDYSFHDCCXGU-NRFANRHFSA-N 1 1 412.530 2.844 50 0 HFAAMO C[N@H+](Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@@H]1CCCO1)C(C1CC1)C1CC1 ZINC000012302014 558371466 /nfs/dbraw/zinc/37/14/66/558371466.db2.gz YMSHPSQUCCBBFA-IBGZPJMESA-N 1 1 407.580 2.866 50 0 HFAAMO C[N@@H+](Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@@H]1CCCO1)C(C1CC1)C1CC1 ZINC000012302014 558371468 /nfs/dbraw/zinc/37/14/68/558371468.db2.gz YMSHPSQUCCBBFA-IBGZPJMESA-N 1 1 407.580 2.866 50 0 HFAAMO CSc1ccccc1OCc1cc(C(=O)NCC[N@H+]2CCCC[C@@H]2CO)no1 ZINC000012303357 558372889 /nfs/dbraw/zinc/37/28/89/558372889.db2.gz RATYULYSXFFSRP-OAHLLOKOSA-N 1 1 405.520 2.552 50 0 HFAAMO Cc1cc(-n2cccn2)ccc1CN1CC[C@@H]([N@@H+](C)CCc2ccccn2)[C@H](O)C1 ZINC000012304619 558373914 /nfs/dbraw/zinc/37/39/14/558373914.db2.gz ANQWAEIFAAMNDO-DNQXCXABSA-N 1 1 405.546 2.685 50 0 HFAAMO Cc1cc(-n2cccn2)ccc1C[N@H+]1CC[C@@H](N(C)CCc2ccccn2)[C@H](O)C1 ZINC000012304619 558373915 /nfs/dbraw/zinc/37/39/15/558373915.db2.gz ANQWAEIFAAMNDO-DNQXCXABSA-N 1 1 405.546 2.685 50 0 HFAAMO Cc1cc(-n2cccn2)ccc1C[N@@H+]1CC[C@@H](N(C)CCc2ccccn2)[C@H](O)C1 ZINC000012304619 558373918 /nfs/dbraw/zinc/37/39/18/558373918.db2.gz ANQWAEIFAAMNDO-DNQXCXABSA-N 1 1 405.546 2.685 50 0 HFAAMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2CCC(=O)N(Cc3ccccn3)C2)cc1 ZINC000012317123 558380347 /nfs/dbraw/zinc/38/03/47/558380347.db2.gz GWVCRVBPQDLBSD-LJQANCHMSA-N 1 1 403.486 2.631 50 0 HFAAMO S=C(NCCC[NH+]1CCOCC1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000020503185 558381056 /nfs/dbraw/zinc/38/10/56/558381056.db2.gz ZEYLXIGZBREEGW-UHFFFAOYSA-N 1 1 417.406 2.712 50 0 HFAAMO Cc1ccccc1N(CC(=O)N1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000020511910 558382260 /nfs/dbraw/zinc/38/22/60/558382260.db2.gz LJJWGOWNDOWARY-UHFFFAOYSA-N 1 1 421.950 2.618 50 0 HFAAMO O=C([C@@H]1CCC(=O)N(Cc2ccccc2F)C1)N1CCC[N@H+](Cc2ccccn2)CC1 ZINC000012431159 558405723 /nfs/dbraw/zinc/40/57/23/558405723.db2.gz DDJIEZFUBFIKFM-HXUWFJFHSA-N 1 1 424.520 2.694 50 0 HFAAMO O=C([C@@H]1CCC(=O)N(Cc2ccccc2F)C1)N1CCC[N@@H+](Cc2ccccn2)CC1 ZINC000012431159 558405724 /nfs/dbraw/zinc/40/57/24/558405724.db2.gz DDJIEZFUBFIKFM-HXUWFJFHSA-N 1 1 424.520 2.694 50 0 HFAAMO Cn1c(C[N@@H+]2CCC[C@@H](CNC(=O)c3ccc4c(c3)OCO4)C2)nc2ccccc21 ZINC000012433509 558407618 /nfs/dbraw/zinc/40/76/18/558407618.db2.gz CZZJHNWOGABMQL-INIZCTEOSA-N 1 1 406.486 2.944 50 0 HFAAMO Cn1c(C[N@H+]2CCC[C@@H](CNC(=O)c3ccc4c(c3)OCO4)C2)nc2ccccc21 ZINC000012433509 558407619 /nfs/dbraw/zinc/40/76/19/558407619.db2.gz CZZJHNWOGABMQL-INIZCTEOSA-N 1 1 406.486 2.944 50 0 HFAAMO COC(=O)C1CCN(C[C@@H](O)COc2ccc(C[NH2+]C3CCCCC3)cc2)CC1 ZINC000012439067 558410618 /nfs/dbraw/zinc/41/06/18/558410618.db2.gz JNZKPCNPXSQASE-OAQYLSRUSA-N 1 1 404.551 2.734 50 0 HFAAMO COc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)C(=O)CSc2ncccn2)C1 ZINC000012459711 558418793 /nfs/dbraw/zinc/41/87/93/558418793.db2.gz SQVQCNIOUJAYRN-SFHVURJKSA-N 1 1 414.575 2.990 50 0 HFAAMO CN(CCCC[NH+]1CCOCC1)C(=O)c1cc(COc2ccc(F)cc2F)on1 ZINC000020914982 558422784 /nfs/dbraw/zinc/42/27/84/558422784.db2.gz WGZQPZMTYGHXMF-UHFFFAOYSA-N 1 1 409.433 2.716 50 0 HFAAMO Cc1cccc(NC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]c(C)n3)CC2)c1C ZINC000021795281 558449675 /nfs/dbraw/zinc/44/96/75/558449675.db2.gz VUEONSJFJXHKHL-UHFFFAOYSA-N 1 1 410.522 2.593 50 0 HFAAMO COC(=O)c1ccc(-c2noc(C[N@H+]3CCCC[C@@H]3CCN3CCOCC3)n2)cc1 ZINC000012713781 558454173 /nfs/dbraw/zinc/45/41/73/558454173.db2.gz SDEWYLQFUJWZEI-LJQANCHMSA-N 1 1 414.506 2.600 50 0 HFAAMO O=C(NCCc1ccccc1)[C@@H]1CCC[N@H+](C2CCN(C(=O)c3ccco3)CC2)C1 ZINC000012717236 558455698 /nfs/dbraw/zinc/45/56/98/558455698.db2.gz VHVJAGOXRZJNIL-HXUWFJFHSA-N 1 1 409.530 2.955 50 0 HFAAMO C[C@@H](C(=O)NCCC[NH+]1CCOCC1)n1nc(C(F)(F)F)c(Cl)c1C1CC1 ZINC000022418864 558488665 /nfs/dbraw/zinc/48/86/65/558488665.db2.gz UAXBSDFVWKOUGM-NSHDSACASA-N 1 1 408.852 2.832 50 0 HFAAMO COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000013057193 558508929 /nfs/dbraw/zinc/50/89/29/558508929.db2.gz XRAMSQMYPYSEQZ-IRXDYDNUSA-N 1 1 423.579 2.786 50 0 HFAAMO O=C(CN1CC[NH+](Cc2cccs2)CC1)Nc1cc(Cl)ccc1-n1cncn1 ZINC000022784415 558510568 /nfs/dbraw/zinc/51/05/68/558510568.db2.gz RTNPUDGJPAKLAN-UHFFFAOYSA-N 1 1 416.938 2.739 50 0 HFAAMO O=C(CN1CCC[N@@H+](Cc2ccccc2)CC1)Nc1ccc(N2CCCC2=O)cc1 ZINC000023254080 558546082 /nfs/dbraw/zinc/54/60/82/558546082.db2.gz YPDOLNVLVBEZPF-UHFFFAOYSA-N 1 1 406.530 2.960 50 0 HFAAMO c1csc(CN2CCC[C@H]([NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)n1 ZINC000023360070 558551667 /nfs/dbraw/zinc/55/16/67/558551667.db2.gz FJEWYRQOFKPBJT-SFHVURJKSA-N 1 1 400.548 2.654 50 0 HFAAMO Cc1cccc(C[N@@H+]2CCN(Cc3cc4c(cc3Cl)OCO4)C[C@@H]2CCO)n1 ZINC000023375012 558554387 /nfs/dbraw/zinc/55/43/87/558554387.db2.gz VZMYBXJMIMKTKJ-SFHVURJKSA-N 1 1 403.910 2.841 50 0 HFAAMO Cc1cccc(C[N@H+]2CCN(Cc3cc4c(cc3Cl)OCO4)C[C@@H]2CCO)n1 ZINC000023375012 558554391 /nfs/dbraw/zinc/55/43/91/558554391.db2.gz VZMYBXJMIMKTKJ-SFHVURJKSA-N 1 1 403.910 2.841 50 0 HFAAMO CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000013660183 558559515 /nfs/dbraw/zinc/55/95/15/558559515.db2.gz DRUJHQOWURWOAJ-OKILXGFUSA-N 1 1 403.479 2.791 50 0 HFAAMO C[C@@H](Oc1cccc(N2CCCC2=O)c1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000023732712 558571836 /nfs/dbraw/zinc/57/18/36/558571836.db2.gz MYJDYZLEYOVUTF-LJQANCHMSA-N 1 1 407.514 2.925 50 0 HFAAMO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C)CC2)c2ccc(C)cc2C)cc1 ZINC000024539367 558600635 /nfs/dbraw/zinc/60/06/35/558600635.db2.gz YGKZGIIPJIJACC-UHFFFAOYSA-N 1 1 415.559 2.581 50 0 HFAAMO Cc1ccccc1C[NH+]1CCN(C(=O)CNC(=O)c2ccc(OC(F)F)cc2)CC1 ZINC000014202362 558637595 /nfs/dbraw/zinc/63/75/95/558637595.db2.gz POUWBYYFBDXDRH-UHFFFAOYSA-N 1 1 417.456 2.671 50 0 HFAAMO Cc1cccnc1CNC(=O)C[C@H]1C(=O)NCC[N@H+]1Cc1cccc2ccccc21 ZINC000012449065 558649027 /nfs/dbraw/zinc/64/90/27/558649027.db2.gz ORQPHZLODGNITF-QFIPXVFZSA-N 1 1 402.498 2.550 50 0 HFAAMO Cc1cccnc1CNC(=O)C[C@H]1C(=O)NCC[N@@H+]1Cc1cccc2ccccc21 ZINC000012449065 558649028 /nfs/dbraw/zinc/64/90/28/558649028.db2.gz ORQPHZLODGNITF-QFIPXVFZSA-N 1 1 402.498 2.550 50 0 HFAAMO CC(C)C[C@H](CNC(=O)NCc1cccc(NC(=O)C2CC2)c1)[NH+]1CCOCC1 ZINC000026304085 558658742 /nfs/dbraw/zinc/65/87/42/558658742.db2.gz KQTMHZZRKBWPCL-HXUWFJFHSA-N 1 1 402.539 2.581 50 0 HFAAMO C[N@H+](CCn1cccn1)Cc1cc2ccc(F)cc2n(CCN2CCCCC2)c1=O ZINC000014958283 558683141 /nfs/dbraw/zinc/68/31/41/558683141.db2.gz YVDOSCVOUUCIMS-UHFFFAOYSA-N 1 1 411.525 2.955 50 0 HFAAMO C[N@@H+](CCn1cccn1)Cc1cc2ccc(F)cc2n(CCN2CCCCC2)c1=O ZINC000014958283 558683143 /nfs/dbraw/zinc/68/31/43/558683143.db2.gz YVDOSCVOUUCIMS-UHFFFAOYSA-N 1 1 411.525 2.955 50 0 HFAAMO COc1cc(OC)cc(C(=O)NC[C@@H]2CCC[N@H+](C3CSCCSC3)C2)c1 ZINC000015074922 558715541 /nfs/dbraw/zinc/71/55/41/558715541.db2.gz MZTOCXCGXMRMRM-HNNXBMFYSA-N 1 1 410.605 2.994 50 0 HFAAMO O=C(CN1CCOC1=O)N(Cc1cccnc1)C[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000015078983 558718132 /nfs/dbraw/zinc/71/81/32/558718132.db2.gz YHHVDSRCIWDYLZ-FQEVSTJZSA-N 1 1 414.550 2.907 50 0 HFAAMO Cc1nn(C)c(C)c1NC(=O)CN1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000029851110 558722593 /nfs/dbraw/zinc/72/25/93/558722593.db2.gz CBXAEQOHSUSRSW-UHFFFAOYSA-N 1 1 409.456 2.812 50 0 HFAAMO COc1ccc2c(c1)C[C@H](C(=O)NCCC[NH+]1CCN(Cc3ccccc3)CC1)CO2 ZINC000022937991 558728269 /nfs/dbraw/zinc/72/82/69/558728269.db2.gz GFCILEUKCFZGOA-QFIPXVFZSA-N 1 1 423.557 2.570 50 0 HFAAMO CCOC(=O)[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000015301199 558731058 /nfs/dbraw/zinc/73/10/58/558731058.db2.gz MZSUUEUZRZOAQA-QZTJIDSGSA-N 1 1 402.491 2.539 50 0 HFAAMO CCOC(=O)[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000015301199 558731059 /nfs/dbraw/zinc/73/10/59/558731059.db2.gz MZSUUEUZRZOAQA-QZTJIDSGSA-N 1 1 402.491 2.539 50 0 HFAAMO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C)CC2)c2cccc(C)c2C)cc1 ZINC000016309577 558785078 /nfs/dbraw/zinc/78/50/78/558785078.db2.gz DZZBBTXSEKPIMM-UHFFFAOYSA-N 1 1 415.559 2.581 50 0 HFAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)O2 ZINC000032984050 558805050 /nfs/dbraw/zinc/80/50/50/558805050.db2.gz ZDFPULRDNIBMLD-QNGOZBTKSA-N 1 1 407.470 2.511 50 0 HFAAMO C[NH+]1CCN(NC(=O)CCSc2nc(-c3ccco3)cc(C(F)(F)F)n2)CC1 ZINC000018209568 558833615 /nfs/dbraw/zinc/83/36/15/558833615.db2.gz DFJCASXMPYUZNG-UHFFFAOYSA-N 1 1 415.441 2.516 50 0 HFAAMO COC[C@@H](C)NC(=O)C1CC[NH+](C2CCN(CCCc3ccccc3)CC2)CC1 ZINC000019301101 558866597 /nfs/dbraw/zinc/86/65/97/558866597.db2.gz WSGKKUPPECNCDT-HXUWFJFHSA-N 1 1 401.595 2.947 50 0 HFAAMO COc1cccc(-c2ccnc(-n3ncc(C(=O)N4CC[NH+](C(C)C)CC4)c3C)n2)c1 ZINC000055167149 558874730 /nfs/dbraw/zinc/87/47/30/558874730.db2.gz SXZFZGMGFQAPCN-UHFFFAOYSA-N 1 1 420.517 2.813 50 0 HFAAMO CC[NH+](CC)CCC(=O)N1CCC[C@@H](N2CCN(c3ccccc3OC)CC2)C1 ZINC000055198213 558875822 /nfs/dbraw/zinc/87/58/22/558875822.db2.gz RMIDLTXNYXKOIK-HXUWFJFHSA-N 1 1 402.583 2.540 50 0 HFAAMO Cc1cc(C(=O)N2CCC[C@@H]([NH+]3CCN(c4cccc(Cl)c4)CC3)C2)nn1C ZINC000055211212 558875997 /nfs/dbraw/zinc/87/59/97/558875997.db2.gz PTDFIGQXVKTLBG-LJQANCHMSA-N 1 1 401.942 2.809 50 0 HFAAMO CCCC[N@@H+](C)CCCNC(=O)C[C@@H](C(=O)N1CCc2ccccc21)n1ccnc1 ZINC000004669986 558880654 /nfs/dbraw/zinc/88/06/54/558880654.db2.gz CJPRVDZPRWFAAH-NRFANRHFSA-N 1 1 411.550 2.642 50 0 HFAAMO Cc1nc(-c2cccc(NC(=O)NC[C@H]([C@@H]3CCOC3)[NH+]3CCOCC3)c2)cs1 ZINC000058067121 558897808 /nfs/dbraw/zinc/89/78/08/558897808.db2.gz DQPJWTWQWWJMSU-YLJYHZDGSA-N 1 1 416.547 2.977 50 0 HFAAMO CC(C)Nc1cc(N2CCC([N@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)ncn1 ZINC000071638988 558906093 /nfs/dbraw/zinc/90/60/93/558906093.db2.gz YQLFQXATMXVRLJ-SFHVURJKSA-N 1 1 400.571 2.600 50 0 HFAAMO C[N@@H+](CCNC(=O)CC1CCN(S(=O)(=O)c2ccccc2)CC1)C1CCCCC1 ZINC000033254525 558918358 /nfs/dbraw/zinc/91/83/58/558918358.db2.gz XAUNZRFRBYVWTD-UHFFFAOYSA-N 1 1 421.607 2.858 50 0 HFAAMO O=C([C@@H]1C[C@H](n2cnnn2)C[N@H+]1Cc1ccc(C(F)(F)F)cc1)N1CCCCCC1 ZINC000059343349 558934346 /nfs/dbraw/zinc/93/43/46/558934346.db2.gz GZIYLRRKYZADRG-ROUUACIJSA-N 1 1 422.455 2.910 50 0 HFAAMO O=C([C@@H]1C[C@H](n2cnnn2)C[N@@H+]1Cc1ccc(C(F)(F)F)cc1)N1CCCCCC1 ZINC000059343349 558934349 /nfs/dbraw/zinc/93/43/49/558934349.db2.gz GZIYLRRKYZADRG-ROUUACIJSA-N 1 1 422.455 2.910 50 0 HFAAMO COc1cccc(C[N@@H+]2CCN(Cc3c(C)nc4sccn34)C[C@@H]2CCO)c1 ZINC000019641818 558947662 /nfs/dbraw/zinc/94/76/62/558947662.db2.gz SZPLOCUNWGWUFV-SFHVURJKSA-N 1 1 400.548 2.782 50 0 HFAAMO COc1cccc(C[N@H+]2CCN(Cc3c(C)nc4sccn34)C[C@@H]2CCO)c1 ZINC000019641818 558947665 /nfs/dbraw/zinc/94/76/65/558947665.db2.gz SZPLOCUNWGWUFV-SFHVURJKSA-N 1 1 400.548 2.782 50 0 HFAAMO O=C([C@@H]1C[C@@H](n2cnnn2)C[N@H+]1Cc1ccc(C(F)(F)F)cc1)N1CCCCCC1 ZINC000064158218 558962180 /nfs/dbraw/zinc/96/21/80/558962180.db2.gz GZIYLRRKYZADRG-MSOLQXFVSA-N 1 1 422.455 2.910 50 0 HFAAMO O=C([C@@H]1C[C@@H](n2cnnn2)C[N@@H+]1Cc1ccc(C(F)(F)F)cc1)N1CCCCCC1 ZINC000064158218 558962182 /nfs/dbraw/zinc/96/21/82/558962182.db2.gz GZIYLRRKYZADRG-MSOLQXFVSA-N 1 1 422.455 2.910 50 0 HFAAMO O=C(CCc1ccc(=O)[nH]n1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000072420483 558978312 /nfs/dbraw/zinc/97/83/12/558978312.db2.gz SDTYMJJPRUKFPE-UHFFFAOYSA-N 1 1 402.498 2.636 50 0 HFAAMO CCNc1cc(N2CCN(C(=O)c3cccc(Oc4ncccn4)c3)CC2)[nH+]c(C)n1 ZINC000072436972 558980265 /nfs/dbraw/zinc/98/02/65/558980265.db2.gz NMMPSYWYWZMJHO-UHFFFAOYSA-N 1 1 419.489 2.762 50 0 HFAAMO Cc1c(Cl)cccc1NC(=O)N1CCN(c2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC000072436903 558980373 /nfs/dbraw/zinc/98/03/73/558980373.db2.gz CTNANABAMLZLKT-UHFFFAOYSA-N 1 1 416.913 2.629 50 0 HFAAMO O[C@H](COc1ccc(Cl)cc1)C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022037184 558985599 /nfs/dbraw/zinc/98/55/99/558985599.db2.gz MWVZBFVGSJDJHC-SFHVURJKSA-N 1 1 404.894 2.626 50 0 HFAAMO CCOCCC[N@H+]1CC[C@H](NCC(=O)NCCc2nc3ccccc3s2)[C@H](C)C1 ZINC000097164303 558998313 /nfs/dbraw/zinc/99/83/13/558998313.db2.gz JIEGBNLZBMECOC-MSOLQXFVSA-N 1 1 418.607 2.682 50 0 HFAAMO Cc1cccc(CNC(=O)[C@@H]2CCC[N@H+](C3CCN(Cc4ccncc4)CC3)C2)n1 ZINC000082096933 559037531 /nfs/dbraw/zinc/03/75/31/559037531.db2.gz FOAJMLAMRFDNES-OAQYLSRUSA-N 1 1 407.562 2.778 50 0 HFAAMO O=C(NCCc1cccnc1)[C@@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082099628 559038074 /nfs/dbraw/zinc/03/80/74/559038074.db2.gz GUDKWFVPXYOQEX-JOCHJYFZSA-N 1 1 407.562 2.512 50 0 HFAAMO CC(C)CCC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082108531 559038705 /nfs/dbraw/zinc/03/87/05/559038705.db2.gz HMCLJTOSWRRGMJ-IBGZPJMESA-N 1 1 400.567 2.837 50 0 HFAAMO 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559080590 /nfs/dbraw/zinc/08/05/90/559080590.db2.gz WWAAVUKTPVIFRT-NRFANRHFSA-N 1 1 400.548 2.605 50 0 HFAAMO COc1ccccc1-c1ncc(C[N@@H+]2CCN(C)[C@]3(C2)CCNC(=O)CC3)s1 ZINC000095382410 559080592 /nfs/dbraw/zinc/08/05/92/559080592.db2.gz WWAAVUKTPVIFRT-NRFANRHFSA-N 1 1 400.548 2.605 50 0 HFAAMO COc1ccccc1-c1ncc(C[N@H+]2CCN(C)[C@]3(C2)CCNC(=O)CC3)s1 ZINC000095382410 559080595 /nfs/dbraw/zinc/08/05/95/559080595.db2.gz WWAAVUKTPVIFRT-NRFANRHFSA-N 1 1 400.548 2.605 50 0 HFAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)Cn1ncc2c3ccccc3n(C)c2c1=O ZINC000004916174 559204216 /nfs/dbraw/zinc/20/42/16/559204216.db2.gz WPOIXYDRVKFVRD-QGZVFWFLSA-N 1 1 409.534 2.659 50 0 HFAAMO COC(CNC(=O)[C@H]1CCC[N@@H+](Cc2nc(-c3ccccc3C)oc2C)C1)OC ZINC000005044323 559236433 /nfs/dbraw/zinc/23/64/33/559236433.db2.gz CUJWYVPMTFORDM-KRWDZBQOSA-N 1 1 401.507 2.906 50 0 HFAAMO Cc1oc2c(c1C(=O)NC[C@H]1CC[N@@H+](Cc3ccc(C)cc3)C1)C1=NCCN1C=N2 ZINC000100696323 559257138 /nfs/dbraw/zinc/25/71/38/559257138.db2.gz OHGXSKWSVFLVSM-GOSISDBHSA-N 1 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C[C@H]1CCCC[N@H+]1CCCNC(=O)C[C@H](C(=O)N1CCc2ccccc21)n1ccnc1 ZINC000104176981 560849179 /nfs/dbraw/zinc/84/91/79/560849179.db2.gz SRVJADBFRDIZBM-SIKLNZKXSA-N 1 1 423.561 2.784 50 0 HFAAMO CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H]1c1ccc(OC)cc1OC ZINC000015367158 560854655 /nfs/dbraw/zinc/85/46/55/560854655.db2.gz IEFMMMTVJJTVNL-MOPGFXCFSA-N 1 1 404.507 2.785 50 0 HFAAMO CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@@H]1c1ccc(OC)cc1OC ZINC000015367158 560854657 /nfs/dbraw/zinc/85/46/57/560854657.db2.gz IEFMMMTVJJTVNL-MOPGFXCFSA-N 1 1 404.507 2.785 50 0 HFAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)C1 ZINC000106088192 560884623 /nfs/dbraw/zinc/88/46/23/560884623.db2.gz LDNRWLWRLKEKPE-SVFBPWRDSA-N 1 1 421.607 2.714 50 0 HFAAMO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2NC(=O)NC[C@@H]2Cc3ccccc3O2)C1 ZINC000106185307 560885167 /nfs/dbraw/zinc/88/51/67/560885167.db2.gz BXYHFSVTTLPZRP-MOPGFXCFSA-N 1 1 408.502 2.509 50 0 HFAAMO CC(C)[C@H](C(=O)N1CCCN(Cc2ccccc2F)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000107135908 560895634 /nfs/dbraw/zinc/89/56/34/560895634.db2.gz ZNLVZJQOPNANHU-WOIUINJBSA-N 1 1 405.558 2.994 50 0 HFAAMO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000107178718 560895941 /nfs/dbraw/zinc/89/59/41/560895941.db2.gz DIMRZIVYBGEWTB-GKAYAJSDSA-N 1 1 405.429 2.565 50 0 HFAAMO CC[C@@](C)(CNC(=O)Nc1cc(OC)c(C(=O)OC)cc1Cl)[NH+]1CCOCC1 ZINC000048113084 568432105 /nfs/dbraw/zinc/43/21/05/568432105.db2.gz GCBLGYMRSSYUAQ-IBGZPJMESA-N 1 1 413.902 2.758 50 0 HFAAMO CCCCN(C(=O)C[N@@H+](C)C1CCC(CC)CC1)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000048340550 568440384 /nfs/dbraw/zinc/44/03/84/568440384.db2.gz BQBCUIRBFRMQJG-UHFFFAOYSA-N 1 1 421.586 2.563 50 0 HFAAMO Cc1ccc(C[N@H+]2CCc3ncn(CC(=O)NCc4ccccc4F)c(=O)c3C2)cc1 ZINC000049400920 568447629 /nfs/dbraw/zinc/44/76/29/568447629.db2.gz RVANAQUJXCUZPB-UHFFFAOYSA-N 1 1 420.488 2.566 50 0 HFAAMO COCC[N@@H+](C)CCCC1CCN(C(=O)CNC(=O)OCc2ccccc2)CC1 ZINC000095452159 568615069 /nfs/dbraw/zinc/61/50/69/568615069.db2.gz FZSZFSKHMYINIX-UHFFFAOYSA-N 1 1 405.539 2.510 50 0 HFAAMO O=C1N(CN2CC[NH+](C/C=C/c3ccccc3)CC2)c2ccccc2C12OCCO2 ZINC000020508758 568620219 /nfs/dbraw/zinc/62/02/19/568620219.db2.gz AFXRQWIOOOGHRT-RMKNXTFCSA-N 1 1 405.498 2.521 50 0 HFAAMO Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)NCCC[NH+]3CCOCC3)c(C)c21 ZINC000020756964 568641554 /nfs/dbraw/zinc/64/15/54/568641554.db2.gz IJDAULQLDXTLPP-UHFFFAOYSA-N 1 1 412.486 2.845 50 0 biogenic HFAAMO CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)[N@@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000225518880 568646241 /nfs/dbraw/zinc/64/62/41/568646241.db2.gz BTLTWPXPGIDNCO-RXVVDRJESA-N 1 1 424.545 2.721 50 0 HFAAMO CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)[N@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000225518880 568646244 /nfs/dbraw/zinc/64/62/44/568646244.db2.gz BTLTWPXPGIDNCO-RXVVDRJESA-N 1 1 424.545 2.721 50 0 HFAAMO Cc1cc(C)n(CCC(=O)NCC[NH+]2CCN(c3cc(Cl)ccc3C)CC2)n1 ZINC000020989309 568655607 /nfs/dbraw/zinc/65/56/07/568655607.db2.gz IHGNMVULRUKOOW-UHFFFAOYSA-N 1 1 403.958 2.790 50 0 HFAAMO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3CCCN3Cc3ccccc3)cc2)C1 ZINC000095947535 568665007 /nfs/dbraw/zinc/66/50/07/568665007.db2.gz FSYUFJPGQWHLDD-JTHBVZDNSA-N 1 1 420.557 2.987 50 0 HFAAMO NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3CCCN3Cc3ccccc3)cc2)C1 ZINC000095947535 568665010 /nfs/dbraw/zinc/66/50/10/568665010.db2.gz FSYUFJPGQWHLDD-JTHBVZDNSA-N 1 1 420.557 2.987 50 0 HFAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)CN1N=C(c2ccc(OC)cc2)CCC1=O ZINC000021146186 568670929 /nfs/dbraw/zinc/67/09/29/568670929.db2.gz KNWMAKDGBIEFED-LJQANCHMSA-N 1 1 414.550 2.793 50 0 HFAAMO Cc1noc2ncnc(N3CCC[C@@H](C(=O)NCCC[N@H+](C)C4CCCCC4)C3)c12 ZINC000021533187 568711616 /nfs/dbraw/zinc/71/16/16/568711616.db2.gz YBZVZCHUVXHSQX-QGZVFWFLSA-N 1 1 414.554 2.913 50 0 HFAAMO Cc1nn2c(ncc(C(=O)NCCC[NH+]3CCN(C)CC3)c2C)c1-c1cccc(C)c1 ZINC000021537898 568712996 /nfs/dbraw/zinc/71/29/96/568712996.db2.gz YVXWLGJKNLUFFX-UHFFFAOYSA-N 1 1 420.561 2.689 50 0 HFAAMO C[NH+]1CCN(C(=O)[C@@H]2COC3(CCCCC3)N2C(=O)c2ccccc2Cl)CC1 ZINC000096274692 568714236 /nfs/dbraw/zinc/71/42/36/568714236.db2.gz KMNUTZJJXTVKIC-SFHVURJKSA-N 1 1 405.926 2.615 50 0 HFAAMO CC[C@@H]1C[N@@H+](CC(C)(C)O)[C@@H](CC)CN1c1cc(C)nc2nc(C(F)(F)F)nn21 ZINC000241684922 568731705 /nfs/dbraw/zinc/73/17/05/568731705.db2.gz QGLINCGPSOVOPE-UONOGXRCSA-N 1 1 414.476 2.902 50 0 HFAAMO COc1ccc(C[N@H+](C)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000025052207 568739784 /nfs/dbraw/zinc/73/97/84/568739784.db2.gz QMDIOFQNDWOKKU-LJQANCHMSA-N 1 1 412.486 2.514 50 0 HFAAMO COc1ccc(C[N@@H+](C)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000025052207 568739785 /nfs/dbraw/zinc/73/97/85/568739785.db2.gz QMDIOFQNDWOKKU-LJQANCHMSA-N 1 1 412.486 2.514 50 0 HFAAMO Cc1cc2cc(CNC(=O)C[C@H]3C(=O)NCC[N@H+]3CCCc3ccccc3)ccc2[nH]1 ZINC000015077397 568749657 /nfs/dbraw/zinc/74/96/57/568749657.db2.gz LHQCNAOKSWXDIH-QHCPKHFHSA-N 1 1 418.541 2.916 50 0 HFAAMO Cc1cc2cc(CNC(=O)C[C@H]3C(=O)NCC[N@@H+]3CCCc3ccccc3)ccc2[nH]1 ZINC000015077397 568749660 /nfs/dbraw/zinc/74/96/60/568749660.db2.gz LHQCNAOKSWXDIH-QHCPKHFHSA-N 1 1 418.541 2.916 50 0 HFAAMO CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)c1 ZINC000021926396 568761184 /nfs/dbraw/zinc/76/11/84/568761184.db2.gz NOEHYLITWGQQPQ-UHFFFAOYSA-N 1 1 408.502 2.870 50 0 HFAAMO Cc1ccc(Cl)cc1N1CC[NH+](CCC(=O)Nc2sccc2C(N)=O)CC1 ZINC000028845281 568811383 /nfs/dbraw/zinc/81/13/83/568811383.db2.gz CMORDSSUWBOEEO-UHFFFAOYSA-N 1 1 406.939 2.960 50 0 HFAAMO C[N@@H+](CCNC(=O)Cn1nc(-c2ccc(Cl)cc2)ccc1=O)Cc1ccccc1 ZINC000003005992 568837228 /nfs/dbraw/zinc/83/72/28/568837228.db2.gz GUISBYILYRJZGS-UHFFFAOYSA-N 1 1 410.905 2.812 50 0 HFAAMO CC[C@@H](C)NC(=O)C1CC[NH+](Cc2nc(-c3ccc(OC)c(OC)c3)no2)CC1 ZINC000030981239 568907512 /nfs/dbraw/zinc/90/75/12/568907512.db2.gz JJJSBWHMKBWBIC-CQSZACIVSA-N 1 1 402.495 2.881 50 0 HFAAMO COCCN(C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1)C(=O)CN1CCCCC1 ZINC000012713862 568915748 /nfs/dbraw/zinc/91/57/48/568915748.db2.gz QPNRIWUTQRHWLB-OAQYLSRUSA-N 1 1 413.606 2.827 50 0 HFAAMO COCCN(C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1)C(=O)CN1CCCCC1 ZINC000012713862 568915749 /nfs/dbraw/zinc/91/57/49/568915749.db2.gz QPNRIWUTQRHWLB-OAQYLSRUSA-N 1 1 413.606 2.827 50 0 HFAAMO O=C(NC12C[C@H]3C[C@@H](C1)CC(n1ncnn1)(C3)C2)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000670452351 568927413 /nfs/dbraw/zinc/92/74/13/568927413.db2.gz RJKLUORYUVYLDS-VIETXRTMSA-N 1 1 406.534 2.502 50 0 HFAAMO CCOC(=O)c1ccc(OC[C@H](O)C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)cc1 ZINC000008326919 568991980 /nfs/dbraw/zinc/99/19/80/568991980.db2.gz PDODOGKAPICNMG-LJQANCHMSA-N 1 1 415.486 2.679 50 0 HFAAMO CCOC(=O)c1ccc(OC[C@H](O)C[N@H+]2CCc3cc(OC)c(OC)cc3C2)cc1 ZINC000008326919 568991983 /nfs/dbraw/zinc/99/19/83/568991983.db2.gz PDODOGKAPICNMG-LJQANCHMSA-N 1 1 415.486 2.679 50 0 HFAAMO O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)N[C@@H]1COc2ccccc2C1 ZINC000015787286 569007882 /nfs/dbraw/zinc/00/78/82/569007882.db2.gz OFKBVZZOPBJXBA-IBGZPJMESA-N 1 1 414.937 2.765 50 0 HFAAMO CCOc1ccc(C[N@@H+]2CCN(Cc3ccc(OC)c(O)c3)C[C@H]2CCO)cc1 ZINC000104324745 569008322 /nfs/dbraw/zinc/00/83/22/569008322.db2.gz NWKOWRFSIXISLT-HXUWFJFHSA-N 1 1 400.519 2.868 50 0 HFAAMO CCOc1ccc(C[N@H+]2CCN(Cc3ccc(OC)c(O)c3)C[C@H]2CCO)cc1 ZINC000104324745 569008323 /nfs/dbraw/zinc/00/83/23/569008323.db2.gz NWKOWRFSIXISLT-HXUWFJFHSA-N 1 1 400.519 2.868 50 0 HFAAMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000012941001 569028573 /nfs/dbraw/zinc/02/85/73/569028573.db2.gz YXZBZUVHOQBGAO-IBGZPJMESA-N 1 1 417.531 2.677 50 0 HFAAMO Cc1ccccc1N1C(=O)C[C@H]([NH+]2CCC(C(=O)Nc3ccccc3O)CC2)C1=O ZINC000012944986 569028985 /nfs/dbraw/zinc/02/89/85/569028985.db2.gz IADVJRDSYQSAAH-IBGZPJMESA-N 1 1 407.470 2.683 50 0 HFAAMO CCCNC(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000006264876 569036021 /nfs/dbraw/zinc/03/60/21/569036021.db2.gz JOZUTRHSMRQYDN-FHZYATBESA-N 1 1 420.550 2.907 50 0 biogenic HFAAMO CCCNC(=O)C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000006264876 569036022 /nfs/dbraw/zinc/03/60/22/569036022.db2.gz JOZUTRHSMRQYDN-FHZYATBESA-N 1 1 420.550 2.907 50 0 biogenic HFAAMO CCCNC(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000006264869 569036053 /nfs/dbraw/zinc/03/60/53/569036053.db2.gz JOZUTRHSMRQYDN-FRGLQRNOSA-N 1 1 420.550 2.907 50 0 biogenic HFAAMO CCCNC(=O)C[N@H+]1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000006264869 569036054 /nfs/dbraw/zinc/03/60/54/569036054.db2.gz JOZUTRHSMRQYDN-FRGLQRNOSA-N 1 1 420.550 2.907 50 0 biogenic HFAAMO O=C(c1cnc2sc3c(n2c1=O)CCCCC3)N1CC[NH+](Cc2ccccc2)CC1 ZINC000035430392 569036947 /nfs/dbraw/zinc/03/69/47/569036947.db2.gz XIXSFQDRLTYQHR-UHFFFAOYSA-N 1 1 422.554 2.983 50 0 HFAAMO COC(=O)c1sccc1S(=O)(=O)NC[C@H](c1cc2ccccc2o1)[NH+](C)C ZINC000575620376 569038870 /nfs/dbraw/zinc/03/88/70/569038870.db2.gz KEGMVISSCOPLMJ-CYBMUJFWSA-N 1 1 408.501 2.862 50 0 HFAAMO CC(C)C[C@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000035485174 569039664 /nfs/dbraw/zinc/03/96/64/569039664.db2.gz FSSWUDMQQDPNJI-OALUTQOASA-N 1 1 409.486 2.599 50 0 biogenic HFAAMO CC[C@@H](C)[C@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)NCc1ccccc1OC ZINC000035485154 569039667 /nfs/dbraw/zinc/03/96/67/569039667.db2.gz NYRGXQKQJYLSSV-BUVFEPMLSA-N 1 1 409.530 2.557 50 0 biogenic HFAAMO CC(C)Cn1c(CN2CC[N@H+]3CCC[C@H]3C2)cnc1S(=O)(=O)Cc1ccccc1 ZINC000244691747 569055084 /nfs/dbraw/zinc/05/50/84/569055084.db2.gz JIMYOLXYUYPTDN-FQEVSTJZSA-N 1 1 416.591 2.793 50 0 HFAAMO COc1ccccc1CNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000035807267 569060817 /nfs/dbraw/zinc/06/08/17/569060817.db2.gz ZDCGAEULNLJTAZ-RTWAWAEBSA-N 1 1 409.530 2.557 50 0 HFAAMO CO[C@]12CC[N@@H+](CC(C)(C)CN3CCOCC3)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000426684540 569073862 /nfs/dbraw/zinc/07/38/62/569073862.db2.gz RUYBJTJKVNIEPT-SXWKCWPCSA-N 1 1 403.567 2.831 50 0 HFAAMO CCN(CC)C(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000036250153 569119176 /nfs/dbraw/zinc/11/91/76/569119176.db2.gz PWVFPQWKAFDKQM-OAQYLSRUSA-N 1 1 415.534 2.600 50 0 HFAAMO Cc1ccc(NC(=O)N2CC[NH+]([C@H](C(=O)N3CCOCC3)C3CCCC3)CC2)cc1 ZINC000036310724 569131909 /nfs/dbraw/zinc/13/19/09/569131909.db2.gz GISWCYXOXGQFRV-NRFANRHFSA-N 1 1 414.550 2.562 50 0 HFAAMO COCCCN(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)C(C)=O ZINC000036312174 569132750 /nfs/dbraw/zinc/13/27/50/569132750.db2.gz OTHPMLGKAZZDMF-UHFFFAOYSA-N 1 1 404.486 2.618 50 0 HFAAMO CCOC(=O)C1CCN(C(=O)c2cc3c(n2C)CC[N@H+](Cc2ccccc2)C3)CC1 ZINC000065210836 569196249 /nfs/dbraw/zinc/19/62/49/569196249.db2.gz MANWNRWSGMHZQV-UHFFFAOYSA-N 1 1 409.530 2.999 50 0 HFAAMO CCOC(=O)C1CCN(C(=O)c2cc3c(n2C)CC[N@@H+](Cc2ccccc2)C3)CC1 ZINC000065210836 569196250 /nfs/dbraw/zinc/19/62/50/569196250.db2.gz MANWNRWSGMHZQV-UHFFFAOYSA-N 1 1 409.530 2.999 50 0 HFAAMO CC1CC[NH+](Cc2nc(Cn3ccn4nc(-c5ccccc5)cc4c3=O)no2)CC1 ZINC000065235933 569202515 /nfs/dbraw/zinc/20/25/15/569202515.db2.gz QLAGJZBOXKXJJC-UHFFFAOYSA-N 1 1 404.474 2.826 50 0 HFAAMO CC1CC[NH+](Cc2nc(Cn3ccn4nc(-c5ccc(F)cc5)cc4c3=O)no2)CC1 ZINC000065235906 569202574 /nfs/dbraw/zinc/20/25/74/569202574.db2.gz QORPHSWNIBPZPT-UHFFFAOYSA-N 1 1 422.464 2.965 50 0 HFAAMO CCCCN1CCN(C(=O)c2cccc(N3CC[NH2+][C@@H](c4ccccc4)C3)n2)CC1 ZINC000065256322 569208391 /nfs/dbraw/zinc/20/83/91/569208391.db2.gz QJEAATIKEQMVMS-JOCHJYFZSA-N 1 1 407.562 2.790 50 0 HFAAMO C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000007266986 569230976 /nfs/dbraw/zinc/23/09/76/569230976.db2.gz DREJWQLVDBYELM-LBPRGKRZSA-N 1 1 415.437 2.812 50 0 HFAAMO C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000007266986 569230977 /nfs/dbraw/zinc/23/09/77/569230977.db2.gz DREJWQLVDBYELM-LBPRGKRZSA-N 1 1 415.437 2.812 50 0 HFAAMO Cc1[nH]c(C)c(S(=O)(=O)N2CC[NH+](C3CCCCC3)CC2)c1C(=O)N1CCCC1 ZINC000037008933 569234843 /nfs/dbraw/zinc/23/48/43/569234843.db2.gz HDXOTWNZLIYJRR-UHFFFAOYSA-N 1 1 422.595 2.507 50 0 HFAAMO COc1ccc(-c2nc(C(=O)N3CC[N@H+](CC(C)(C)O)[C@H](C)C3)cs2)cc1OC ZINC000170602674 569243756 /nfs/dbraw/zinc/24/37/56/569243756.db2.gz DYWGJFWLGLDYTD-CQSZACIVSA-N 1 1 419.547 2.745 50 0 HFAAMO COc1ccc(-c2nc(C(=O)N3CC[N@@H+](CC(C)(C)O)[C@H](C)C3)cs2)cc1OC ZINC000170602674 569243757 /nfs/dbraw/zinc/24/37/57/569243757.db2.gz DYWGJFWLGLDYTD-CQSZACIVSA-N 1 1 419.547 2.745 50 0 HFAAMO O=C(NCCC[N@@H+]1CCO[C@@H](c2ccccc2)C1)C(=O)Nc1ccccc1Cl ZINC000017178536 569276328 /nfs/dbraw/zinc/27/63/28/569276328.db2.gz JLAFHEWBBQNAOE-LJQANCHMSA-N 1 1 401.894 2.858 50 0 HFAAMO O=C(NCCC[N@H+]1CCO[C@@H](c2ccccc2)C1)C(=O)Nc1ccccc1Cl ZINC000017178536 569276330 /nfs/dbraw/zinc/27/63/30/569276330.db2.gz JLAFHEWBBQNAOE-LJQANCHMSA-N 1 1 401.894 2.858 50 0 HFAAMO CC[NH+]1CCN(C(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)CC1 ZINC000002873843 569278279 /nfs/dbraw/zinc/27/82/79/569278279.db2.gz MPTUYAHEFFLYPL-UHFFFAOYSA-N 1 1 401.532 2.882 50 0 HFAAMO CC(C)C(=O)O[C@H](COc1ccccc1)C[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000002139911 569287659 /nfs/dbraw/zinc/28/76/59/569287659.db2.gz QYMKFWVUVMQBDX-ZVDOUQERSA-N 1 1 410.514 2.914 50 0 biogenic HFAAMO Cc1ccc(-n2nnnc2SCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C ZINC000007857483 569314769 /nfs/dbraw/zinc/31/47/69/569314769.db2.gz POFXKVSCKXKWHW-LJQANCHMSA-N 1 1 422.558 2.762 50 0 HFAAMO Cc1noc(C)c1C(=O)N1CCC2(CC1)C[C@@H](N1CC[NH+](CC(C)C)CC1)CCO2 ZINC000581819830 569320909 /nfs/dbraw/zinc/32/09/09/569320909.db2.gz NKGBTXWSQDENJB-FQEVSTJZSA-N 1 1 418.582 2.719 50 0 HFAAMO COCC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000078714375 569419764 /nfs/dbraw/zinc/41/97/64/569419764.db2.gz RKVYNHXLXXGJEN-LBPRGKRZSA-N 1 1 400.850 2.748 50 0 HFAAMO COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000002318834 569374325 /nfs/dbraw/zinc/37/43/25/569374325.db2.gz FWPDLJHCALIEST-BETUJISGSA-N 1 1 403.479 2.888 50 0 HFAAMO COc1cccc(-c2cc(C(=O)N3CC[NH+](CCn4c(C)ccc4C)CC3)[nH]n2)c1 ZINC000013366674 569412390 /nfs/dbraw/zinc/41/23/90/569412390.db2.gz BQEJVFBGELTQJY-UHFFFAOYSA-N 1 1 407.518 2.962 50 0 HFAAMO COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000078714375 569419763 /nfs/dbraw/zinc/41/97/63/569419763.db2.gz RKVYNHXLXXGJEN-LBPRGKRZSA-N 1 1 400.850 2.748 50 0 HFAAMO C[C@H](Nc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)C1([NH+]2CCOCC2)CCCC1 ZINC000079099179 569427388 /nfs/dbraw/zinc/42/73/88/569427388.db2.gz AXPSCTQIBOZAPJ-INIZCTEOSA-N 1 1 408.506 2.554 50 0 HFAAMO CC1(C)CC(=O)c2c(O)cc(OCC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)cc2O1 ZINC000079191041 569429324 /nfs/dbraw/zinc/42/93/24/569429324.db2.gz USRMHOIJQHJTJJ-DOTOQJQBSA-N 1 1 416.518 2.896 50 0 biogenic HFAAMO O=C(C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1)NCCc1c[nH]c2ccccc12 ZINC000009536133 571267276 /nfs/dbraw/zinc/26/72/76/571267276.db2.gz BFBGZRCALFAWFR-UHFFFAOYSA-N 1 1 420.513 2.883 50 0 HFAAMO O=C(Nc1ccc2c(c1)OCCO2)[C@H]1C[C@H]2CCC[N@H+]2[C@@]12C(=O)Nc1ccccc12 ZINC000057992157 571315459 /nfs/dbraw/zinc/31/54/59/571315459.db2.gz MKDYYIBCKNGVQT-QDOIMOTRSA-N 1 1 405.454 2.728 50 0 HFAAMO C[C@H](Nc1ccc([NH+]2CCCCC2)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000007003113 132321875 /nfs/dbraw/zinc/32/18/75/132321875.db2.gz VRYUWAJNZRTOGY-HNNXBMFYSA-N 1 1 402.520 2.763 50 0 HFAAMO CCn1nc(C(=O)NC)c2c1CC[C@H]([NH2+]CC1(N3CCCCC3)CCCCC1)C2 ZINC000032551014 523612419 /nfs/dbraw/zinc/61/24/19/523612419.db2.gz VKUCFFVHCNWXDL-SFHVURJKSA-N 1 1 401.599 2.898 50 0 HFAAMO C[C@@H](CNC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1)[N@@H+]1CCc2sccc2C1 ZINC000042726960 524697512 /nfs/dbraw/zinc/69/75/12/524697512.db2.gz FXGVVSVXCUFNJY-FUHWJXTLSA-N 1 1 404.580 2.539 50 0 HFAAMO C[C@@H](CNC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1)[N@H+]1CCc2sccc2C1 ZINC000042726960 524697521 /nfs/dbraw/zinc/69/75/21/524697521.db2.gz FXGVVSVXCUFNJY-FUHWJXTLSA-N 1 1 404.580 2.539 50 0 HFAAMO C[C@@H]1CCc2c(sc3nc(CC[NH+]4CCN(c5ncccn5)CC4)nc(N)c23)C1 ZINC000032850911 524726263 /nfs/dbraw/zinc/72/62/63/524726263.db2.gz UUVIKCXODBSUGP-CQSZACIVSA-N 1 1 409.563 2.553 50 0 HFAAMO O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000072312726 526579320 /nfs/dbraw/zinc/57/93/20/526579320.db2.gz KEMWHPDEOVFBIK-SIKLNZKXSA-N 1 1 403.542 2.970 50 0 HFAAMO Cc1c(Br)c(C(F)(F)F)nn1CCC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000002777632 557761054 /nfs/dbraw/zinc/76/10/54/557761054.db2.gz DQDRMGNXMWVQSW-NSHDSACASA-N 1 1 409.250 2.670 50 0 HFAAMO C[N@@H+](CCO)[C@@H]1c2ccccc2C2(CCN(C(=O)Nc3ccccc3F)CC2)[C@H]1O ZINC000019739736 558260754 /nfs/dbraw/zinc/26/07/54/558260754.db2.gz UWYOZJPGUXJPEF-RTWAWAEBSA-N 1 1 413.493 2.731 50 0 HFAAMO C[N@H+]1CCCN(C(=O)c2nc3sccn3c2CN2CCC[C@@H]2c2ccccn2)CC1 ZINC000011661870 558265671 /nfs/dbraw/zinc/26/56/71/558265671.db2.gz ZTFAVPAVCBQPOL-GOSISDBHSA-N 1 1 424.574 2.906 50 0 HFAAMO CC(C)C(=O)NCCc1nnc2n1CC[N@@H+](Cc1nc(-c3ccccc3)cs1)CC2 ZINC000011787575 558276329 /nfs/dbraw/zinc/27/63/29/558276329.db2.gz YKLHHRMVCFIPPT-UHFFFAOYSA-N 1 1 424.574 2.775 50 0 HFAAMO CC(C)C(=O)NCCc1nnc2n1CC[N@H+](Cc1nc(-c3ccccc3)cs1)CC2 ZINC000011787575 558276331 /nfs/dbraw/zinc/27/63/31/558276331.db2.gz YKLHHRMVCFIPPT-UHFFFAOYSA-N 1 1 424.574 2.775 50 0 HFAAMO CCOC(=O)c1ccc2ncc(C(=O)OCC)c(NCCC[NH+]3CCOCC3)c2c1 ZINC000019792134 558283065 /nfs/dbraw/zinc/28/30/65/558283065.db2.gz BJJUFVHGCKETRY-UHFFFAOYSA-N 1 1 415.490 2.722 50 0 HFAAMO COc1ccc(CN2CC[N@H+](Cc3ccc(NC(C)=O)cc3)C[C@@H]2CCO)c(F)c1 ZINC000019792673 558283443 /nfs/dbraw/zinc/28/34/43/558283443.db2.gz FVAIWVYTTNVKAJ-NRFANRHFSA-N 1 1 415.509 2.862 50 0 HFAAMO COc1ccc(CN2CC[N@@H+](Cc3ccc(NC(C)=O)cc3)C[C@@H]2CCO)c(F)c1 ZINC000019792673 558283444 /nfs/dbraw/zinc/28/34/44/558283444.db2.gz FVAIWVYTTNVKAJ-NRFANRHFSA-N 1 1 415.509 2.862 50 0 HFAAMO Cn1cc(/C=C(\NC(=O)c2ccccc2F)C(=O)N2CC[NH+](C)CC2)c2ccccc21 ZINC000019831781 558291775 /nfs/dbraw/zinc/29/17/75/558291775.db2.gz VDQYHXHZWBFPCW-QNGOZBTKSA-N 1 1 420.488 2.862 50 0 HFAAMO COC[C@H]1CCCCN1C(=O)c1coc(CN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000019841042 558293927 /nfs/dbraw/zinc/29/39/27/558293927.db2.gz GSFYEBDKODTJSO-HXUWFJFHSA-N 1 1 412.534 2.634 50 0 HFAAMO COC(=O)C1CCN(C[C@@H](O)COc2cccc(C[NH2+]Cc3ccccc3)c2)CC1 ZINC000011879365 558293974 /nfs/dbraw/zinc/29/39/74/558293974.db2.gz VNSOZHZYBIMMQN-JOCHJYFZSA-N 1 1 412.530 2.601 50 0 HFAAMO COc1cc(C[N@H+]2CCc3nnc([C@H](C)NC(=O)c4ccco4)n3CC2)ccc1F ZINC000012020627 558309452 /nfs/dbraw/zinc/30/94/52/558309452.db2.gz IMBZQGWCRBOMEB-AWEZNQCLSA-N 1 1 413.453 2.568 50 0 HFAAMO COc1cc(C[N@@H+]2CCc3nnc([C@H](C)NC(=O)c4ccco4)n3CC2)ccc1F ZINC000012020627 558309453 /nfs/dbraw/zinc/30/94/53/558309453.db2.gz IMBZQGWCRBOMEB-AWEZNQCLSA-N 1 1 413.453 2.568 50 0 HFAAMO O=c1c(CNCc2cccnc2)cc2cc3c(cc2n1CC[NH+]1CCCCC1)OCO3 ZINC000012149108 558338638 /nfs/dbraw/zinc/33/86/38/558338638.db2.gz MISKXWNSPOMFBB-UHFFFAOYSA-N 1 1 420.513 2.901 50 0 HFAAMO CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000012197825 558350371 /nfs/dbraw/zinc/35/03/71/558350371.db2.gz KTFUVVUOYKNKAS-NRFANRHFSA-N 1 1 403.542 2.988 50 0 HFAAMO C[C@@H](CC[N@@H+]1CCc2nnc(CNC(=O)c3ccncc3)n2CC1)c1ccccc1 ZINC000012200131 558351064 /nfs/dbraw/zinc/35/10/64/558351064.db2.gz ULIGTTFJDBDIRG-SFHVURJKSA-N 1 1 404.518 2.655 50 0 HFAAMO COc1ccc(C[N@H+]2CCN(Cc3ccc(OC)c(O)c3)C[C@@H]2CCO)cc1C ZINC000020256204 558352324 /nfs/dbraw/zinc/35/23/24/558352324.db2.gz QPCSLGIPVANGSB-FQEVSTJZSA-N 1 1 400.519 2.787 50 0 HFAAMO CSc1ccc(C[N@@H+]2CCc3nnc(CCNC(=O)c4ccco4)n3CC2)cc1 ZINC000020271257 558352798 /nfs/dbraw/zinc/35/27/98/558352798.db2.gz DHRPGACAQIXNMQ-UHFFFAOYSA-N 1 1 411.531 2.624 50 0 HFAAMO COC(=O)c1ccc(CNC(=O)CC[N@@H+]2Cc3ccc(OC)cc3O[C@H](C)C2)cc1 ZINC000012244474 558361179 /nfs/dbraw/zinc/36/11/79/558361179.db2.gz ZQVHQAFQZKFSJU-MRXNPFEDSA-N 1 1 412.486 2.771 50 0 HFAAMO O[C@H]1C[N@@H+](Cc2cccc(-c3ccco3)c2)C[C@@H]1N1CCN(c2ccccn2)CC1 ZINC000020782308 558413054 /nfs/dbraw/zinc/41/30/54/558413054.db2.gz HBEDKIBAVHTYMG-VXKWHMMOSA-N 1 1 404.514 2.709 50 0 HFAAMO COc1ccc(CN(C)Cc2cc[nH]n2)cc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000012447516 558414853 /nfs/dbraw/zinc/41/48/53/558414853.db2.gz VIRBOKCCHCJWGA-QFIPXVFZSA-N 1 1 424.545 2.922 50 0 HFAAMO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2c2ccc(OC)cc2OC)C1 ZINC000020953314 558424904 /nfs/dbraw/zinc/42/49/04/558424904.db2.gz OELYAWOCRWTUDG-VQIMIIECSA-N 1 1 404.507 2.642 50 0 HFAAMO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2c2ccc(OC)cc2OC)C1 ZINC000020953314 558424907 /nfs/dbraw/zinc/42/49/07/558424907.db2.gz OELYAWOCRWTUDG-VQIMIIECSA-N 1 1 404.507 2.642 50 0 HFAAMO COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000021131202 558431946 /nfs/dbraw/zinc/43/19/46/558431946.db2.gz FLBKFYWQTRIUEN-QFIPXVFZSA-N 1 1 420.513 2.570 50 0 HFAAMO Cc1nc(N(C)C)cc(N2CCN(C(=O)c3cccc(Br)c3)CC2)[nH+]1 ZINC000021793588 558448902 /nfs/dbraw/zinc/44/89/02/558448902.db2.gz RCDYCIPETCSGLY-UHFFFAOYSA-N 1 1 404.312 2.576 50 0 HFAAMO Cc1nc(N(C)C)cc(N2CCN(C(=O)c3ccccc3Br)CC2)[nH+]1 ZINC000021793584 558448910 /nfs/dbraw/zinc/44/89/10/558448910.db2.gz STUCSNJCFRODRY-UHFFFAOYSA-N 1 1 404.312 2.576 50 0 HFAAMO COc1cc(C[N@@H+]2CCN(Cc3cnn(C(C)C)c3)C[C@H]2CCO)cc(OC)c1 ZINC000022909960 558519430 /nfs/dbraw/zinc/51/94/30/558519430.db2.gz UCVWRQUIOYFFLA-HXUWFJFHSA-N 1 1 402.539 2.550 50 0 HFAAMO COc1cc(C[N@H+]2CCN(Cc3cnn(C(C)C)c3)C[C@H]2CCO)cc(OC)c1 ZINC000022909960 558519434 /nfs/dbraw/zinc/51/94/34/558519434.db2.gz UCVWRQUIOYFFLA-HXUWFJFHSA-N 1 1 402.539 2.550 50 0 HFAAMO COc1cc(-c2n[nH]cc2C[NH+]2CCN(Cc3cccnc3)CC2)cc(OC)c1OC ZINC000022914161 558520905 /nfs/dbraw/zinc/52/09/05/558520905.db2.gz QPRCGDXLMPIMAH-UHFFFAOYSA-N 1 1 423.517 2.815 50 0 HFAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)Cn1nnc(-c2ccccc2F)n1 ZINC000013144988 558522694 /nfs/dbraw/zinc/52/26/94/558522694.db2.gz FSCVDPOZJLMSOL-FXAWDEMLSA-N 1 1 406.465 2.622 50 0 HFAAMO Cc1ccc(C[N@@H+]2CCCN([C@H](C)C(=O)Nc3sccc3C(N)=O)CC2)cc1 ZINC000022995720 558529666 /nfs/dbraw/zinc/52/96/66/558529666.db2.gz AOHPZOWPVHQVAH-MRXNPFEDSA-N 1 1 400.548 2.690 50 0 HFAAMO Cc1nn(C)cc1CNCc1ccc(OC[C@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000013596782 558547442 /nfs/dbraw/zinc/54/74/42/558547442.db2.gz YBAVFJACUUJXRI-HSZRJFAPSA-N 1 1 408.546 2.890 50 0 HFAAMO Cc1nn(C)cc1CNCc1ccc(OC[C@H](O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000013596782 558547443 /nfs/dbraw/zinc/54/74/43/558547443.db2.gz YBAVFJACUUJXRI-HSZRJFAPSA-N 1 1 408.546 2.890 50 0 HFAAMO C[C@@H](NC(=O)c1ccco1)c1nnc2n1CC[N@H+](Cc1cccc3cccnc31)CC2 ZINC000023339834 558550543 /nfs/dbraw/zinc/55/05/43/558550543.db2.gz PXAYODPQMFZOTF-MRXNPFEDSA-N 1 1 416.485 2.969 50 0 HFAAMO CN(C)C(=O)N1CCC(C(=O)N[C@H]2CCC[N@@H+](CCCc3ccccc3)C2)CC1 ZINC000023368039 558552840 /nfs/dbraw/zinc/55/28/40/558552840.db2.gz WAYITNZSRXLGMH-NRFANRHFSA-N 1 1 400.567 2.593 50 0 HFAAMO CCOC(=O)N1CCN([C@@H]2CCC[N@@H+](Cc3cn(C)nc3-c3ccccc3)C2)CC1 ZINC000023374990 558554499 /nfs/dbraw/zinc/55/44/99/558554499.db2.gz LOLBOWJTTXQDQR-OAQYLSRUSA-N 1 1 411.550 2.826 50 0 HFAAMO COc1ccc(C[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)[C@@H](C)Cc2cccs2)cc1 ZINC000014076975 558617999 /nfs/dbraw/zinc/61/79/99/558617999.db2.gz HBQYXHZNOLXGMF-INIZCTEOSA-N 1 1 413.543 2.788 50 0 HFAAMO COc1ccccc1N1CC[NH+](C[C@@H](O)COc2ccc3c(C)cc(=O)oc3c2)CC1 ZINC000025330549 558638649 /nfs/dbraw/zinc/63/86/49/558638649.db2.gz ARHQLCKTVZDQHE-GOSISDBHSA-N 1 1 424.497 2.672 50 0 HFAAMO Cc1c(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)sc2ncn(C)c(=O)c12 ZINC000027347544 558672265 /nfs/dbraw/zinc/67/22/65/558672265.db2.gz VGLKGBBREIECBL-AWEZNQCLSA-N 1 1 404.923 2.990 50 0 HFAAMO CCN1CC[NH+](CCCNC(=O)c2cnn(-c3ccc(C)cc3)c2-n2cccc2)CC1 ZINC000022936524 558672784 /nfs/dbraw/zinc/67/27/84/558672784.db2.gz ZGXDLRABCOOHCY-UHFFFAOYSA-N 1 1 420.561 2.729 50 0 HFAAMO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NS(=O)(=O)c3ccccc3Cl)cc2)C1 ZINC000072280405 558705314 /nfs/dbraw/zinc/70/53/14/558705314.db2.gz FYZYMTQZPMDWLY-OAHLLOKOSA-N 1 1 407.923 2.838 50 0 HFAAMO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NS(=O)(=O)c3ccccc3Cl)cc2)C1 ZINC000072280405 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404.507 2.785 50 0 HFAAMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 ZINC000072297701 558749985 /nfs/dbraw/zinc/74/99/85/558749985.db2.gz TUPMVPLMHFKAQP-CTNGQTDRSA-N 1 1 403.542 2.940 50 0 HFAAMO Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCC[N@H+](C)CC3)c2)cc1F ZINC000034886426 558786522 /nfs/dbraw/zinc/78/65/22/558786522.db2.gz AIDXLTWQTAAMRN-UHFFFAOYSA-N 1 1 405.495 2.713 50 0 HFAAMO Cc1ccccc1NC(=O)[C@H](C)N(C)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000016341402 558786963 /nfs/dbraw/zinc/78/69/63/558786963.db2.gz RYFFRWKRKAJMJG-FQEVSTJZSA-N 1 1 408.546 2.598 50 0 HFAAMO C[N@@H+]1CCN2c3ccccc3C[C@@]3(C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)[C@@H]2C1 ZINC000017028363 558812184 /nfs/dbraw/zinc/81/21/84/558812184.db2.gz ZCGAAJZZWYCMKO-AVRDEDQJSA-N 1 1 408.433 2.612 50 0 HFAAMO C[N@H+]1CCN2c3ccccc3C[C@@]3(C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)[C@@H]2C1 ZINC000017028363 558812186 /nfs/dbraw/zinc/81/21/86/558812186.db2.gz ZCGAAJZZWYCMKO-AVRDEDQJSA-N 1 1 408.433 2.612 50 0 HFAAMO OCCOc1cccc(C[N@H+]2CCC[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2)c1 ZINC000019300054 558866227 /nfs/dbraw/zinc/86/62/27/558866227.db2.gz JTIOJIACOASSOA-HSZRJFAPSA-N 1 1 413.537 2.983 50 0 HFAAMO OCCOc1cccc(CN2CCC[C@@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2)c1 ZINC000019300054 558866231 /nfs/dbraw/zinc/86/62/31/558866231.db2.gz JTIOJIACOASSOA-HSZRJFAPSA-N 1 1 413.537 2.983 50 0 HFAAMO CC(=O)Nc1ccc(S(=O)(=O)N2CC[NH+]([C@H](C)CCc3ccccc3)CC2)cc1 ZINC000055378633 558880708 /nfs/dbraw/zinc/88/07/08/558880708.db2.gz DQEDIZYMZAAKKR-GOSISDBHSA-N 1 1 415.559 2.973 50 0 HFAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)C[C@@H](C(=O)N1CCc2ccccc21)n1ccnc1 ZINC000004670022 558880716 /nfs/dbraw/zinc/88/07/16/558880716.db2.gz SRVJADBFRDIZBM-KNQAVFIVSA-N 1 1 423.561 2.784 50 0 HFAAMO CCN(C(=O)c1cccc(S(N)(=O)=O)c1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000058294084 558916879 /nfs/dbraw/zinc/91/68/79/558916879.db2.gz MLXIEIZBMYYRPI-QFBILLFUSA-N 1 1 401.532 2.632 50 0 HFAAMO O=C(C[C@H]1C(=O)NCC[N@@H+]1CC(c1ccccc1)c1ccccc1)NCc1ccco1 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O=C(NC[C@@H]1CCOC1)C1CC[NH+](C2CCN(CCCc3ccccc3)CC2)CC1 ZINC000082097109 559037547 /nfs/dbraw/zinc/03/75/47/559037547.db2.gz YYSZIMQGMPJISN-QFIPXVFZSA-N 1 1 413.606 2.948 50 0 HFAAMO O=C(NCCC1(O)CCCC1)[C@@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082106519 559038066 /nfs/dbraw/zinc/03/80/66/559038066.db2.gz PHVDRKLJVQOTOC-OAQYLSRUSA-N 1 1 414.594 2.569 50 0 HFAAMO CC(C)c1nc(N2CCC([N@H+]3CCC[C@H](C(=O)NCc4cccnc4)C3)CC2)no1 ZINC000082106090 559038082 /nfs/dbraw/zinc/03/80/82/559038082.db2.gz MFKFCGKMYVMYEV-SFHVURJKSA-N 1 1 412.538 2.585 50 0 HFAAMO O=C(NCCc1cccnc1)[C@@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000082107124 559038357 /nfs/dbraw/zinc/03/83/57/559038357.db2.gz GZDPZTFSEKRJPW-JOCHJYFZSA-N 1 1 407.562 2.512 50 0 HFAAMO CCSCCC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082120854 559039345 /nfs/dbraw/zinc/03/93/45/559039345.db2.gz VCGLMUGFUOONPN-SFHVURJKSA-N 1 1 418.607 2.544 50 0 HFAAMO COCC1(NC(=O)[C@@H]2CCC[N@H+](C3CCN(Cc4cccnc4)CC3)C2)CCCC1 ZINC000082137360 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CN(CC(=O)Nc1ccc(Cl)cc1)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000023718131 559179378 /nfs/dbraw/zinc/17/93/78/559179378.db2.gz GSEZAKSJWRGBNV-UHFFFAOYSA-N 1 1 414.937 2.555 50 0 HFAAMO CC[C@H]1CCCC[N@@H+]1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cc(C)ccc1C ZINC000004930188 559209176 /nfs/dbraw/zinc/20/91/76/559209176.db2.gz SJSBZRVWAMWBMK-IBGZPJMESA-N 1 1 423.561 2.863 50 0 HFAAMO CC[C@H]1CCCC[N@H+]1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cc(C)ccc1C ZINC000004930188 559209177 /nfs/dbraw/zinc/20/91/77/559209177.db2.gz SJSBZRVWAMWBMK-IBGZPJMESA-N 1 1 423.561 2.863 50 0 HFAAMO CCc1nn(CC(=O)NCCC[N@H+]2CCCC[C@@H]2C)c(=O)c2cc3sccc3n21 ZINC000005109001 559246769 /nfs/dbraw/zinc/24/67/69/559246769.db2.gz QDYAMOSMFFYIJW-HNNXBMFYSA-N 1 1 415.563 2.654 50 0 HFAAMO O=S(=O)(NC[C@H](c1ccc(F)cc1)[NH+]1CCCC1)c1ccc2c(c1)OCCO2 ZINC000011999547 559270514 /nfs/dbraw/zinc/27/05/14/559270514.db2.gz ZPQIUKNYOGWZHP-GOSISDBHSA-N 1 1 406.479 2.712 50 0 HFAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)ccn1 ZINC000047012079 560879586 /nfs/dbraw/zinc/87/95/86/560879586.db2.gz NDNVTJJQPBGSHK-LJQANCHMSA-N 1 1 405.458 2.623 50 0 HFAAMO Cc1nc2c(c(=O)n1CC(=O)NCc1ccc(F)cc1)CC[N@H+](Cc1ccccc1)C2 ZINC000012186292 560891056 /nfs/dbraw/zinc/89/10/56/560891056.db2.gz OWDJGCQXDXERSM-UHFFFAOYSA-N 1 1 420.488 2.566 50 0 HFAAMO Cc1nc2c(c(=O)n1CC(=O)NCc1ccc(F)cc1)CC[N@@H+](Cc1ccccc1)C2 ZINC000012186292 560891058 /nfs/dbraw/zinc/89/10/58/560891058.db2.gz OWDJGCQXDXERSM-UHFFFAOYSA-N 1 1 420.488 2.566 50 0 HFAAMO COCCOc1ccc(S(=O)(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)cc1C ZINC000047593724 560892679 /nfs/dbraw/zinc/89/26/79/560892679.db2.gz VZDVZKXIRQPLDP-LJQANCHMSA-N 1 1 410.511 2.741 50 0 HFAAMO C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000106922615 560894497 /nfs/dbraw/zinc/89/44/97/560894497.db2.gz SKCKJVPXLZNXFF-YDKDNVBTSA-N 1 1 416.610 2.833 50 0 HFAAMO CCc1cc(OCC(=O)N2CC[NH+](C)CC2)nc2c1c(C)nn2-c1ccc(C)cc1 ZINC000046017055 568423773 /nfs/dbraw/zinc/42/37/73/568423773.db2.gz QKJJCORPHUDDIW-UHFFFAOYSA-N 1 1 407.518 2.753 50 0 HFAAMO O=C(NCC1CC1)[C@@H]1CCC[N@@H+](Cn2c(=O)oc3cc(Br)ccc32)C1 ZINC000048312148 568437107 /nfs/dbraw/zinc/43/71/07/568437107.db2.gz IZFFMQVPTISFOM-CYBMUJFWSA-N 1 1 408.296 2.553 50 0 HFAAMO O=C(NCC1CC1)[C@@H]1CCC[N@H+](Cn2c(=O)oc3cc(Br)ccc32)C1 ZINC000048312148 568437109 /nfs/dbraw/zinc/43/71/09/568437109.db2.gz IZFFMQVPTISFOM-CYBMUJFWSA-N 1 1 408.296 2.553 50 0 HFAAMO CC(=O)c1ccc(NC(=O)Cn2cnc3c(c2=O)C[N@@H+](Cc2ccccc2)CC3)cc1 ZINC000049400737 568447567 /nfs/dbraw/zinc/44/75/67/568447567.db2.gz LVTDEACXNYOVSX-UHFFFAOYSA-N 1 1 416.481 2.643 50 0 HFAAMO CN(C(=O)c1n[nH]c(=O)c2ccccc21)[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012302114 568464080 /nfs/dbraw/zinc/46/40/80/568464080.db2.gz YIVAJIZCHWSGAT-GOSISDBHSA-N 1 1 402.498 2.627 50 0 HFAAMO COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000022840305 568500073 /nfs/dbraw/zinc/50/00/73/568500073.db2.gz WVZJQNZRHVCHDI-ZTTJQHCASA-N 1 1 407.514 2.728 50 0 HFAAMO COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000022840305 568500074 /nfs/dbraw/zinc/50/00/74/568500074.db2.gz WVZJQNZRHVCHDI-ZTTJQHCASA-N 1 1 407.514 2.728 50 0 HFAAMO O=C(Cc1ccccc1)Nc1ccccc1C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000032987867 568510556 /nfs/dbraw/zinc/51/05/56/568510556.db2.gz BEVWRUQPMRURFZ-FQEVSTJZSA-N 1 1 407.514 2.805 50 0 HFAAMO O=C(NCCC[NH+]1CCOCC1)c1cccc(-c2nc(-c3ccc(F)cc3)no2)c1 ZINC000033279058 568512586 /nfs/dbraw/zinc/51/25/86/568512586.db2.gz MTHDBVPKKDPBEH-UHFFFAOYSA-N 1 1 410.449 2.995 50 0 HFAAMO Cc1ccc(C(=O)N/C(=C/c2cccs2)C(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000033352131 568514312 /nfs/dbraw/zinc/51/43/12/568514312.db2.gz YNKDGXMYPCVFLF-CAPFRKAQSA-N 1 1 413.543 2.666 50 0 HFAAMO O[C@@H](COc1ccc(F)cc1)C[NH+]1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000095381825 568603554 /nfs/dbraw/zinc/60/35/54/568603554.db2.gz LDZANDOJTLTUFA-LJQANCHMSA-N 1 1 418.900 2.684 50 0 HFAAMO Cc1nc2nc(C[NH3+])nn2c(C)c1CCC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000020418944 568606560 /nfs/dbraw/zinc/60/65/60/568606560.db2.gz ACIUWLRYZTZNPL-UHFFFAOYSA-N 1 1 408.384 2.670 50 0 HFAAMO CC[C@H]1CN(C(=O)N2CCC(C(=O)N3CC[NH+](CC)CC3)CC2)c2ccccc2O1 ZINC000020489436 568614072 /nfs/dbraw/zinc/61/40/72/568614072.db2.gz QQAQKPABKJABHC-IBGZPJMESA-N 1 1 414.550 2.660 50 0 HFAAMO CSCC[C@@H](Nc1nc(C)cc(C)n1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000095479553 568632387 /nfs/dbraw/zinc/63/23/87/568632387.db2.gz IGJIUCUAHXLBQR-HXUWFJFHSA-N 1 1 413.591 2.971 50 0 HFAAMO CC(C)(C)OC(=O)NC[C@H](Cc1cccnc1)C[N@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000225513984 568645428 /nfs/dbraw/zinc/64/54/28/568645428.db2.gz GZLMZPRBQWCIEA-HKUYNNGSSA-N 1 1 404.555 2.743 50 0 HFAAMO C[N@@H+]1CC=C(c2noc(CCC(=O)N3CCN(c4cccc(Cl)c4)CC3)n2)CC1 ZINC000020901739 568650108 /nfs/dbraw/zinc/65/01/08/568650108.db2.gz DMJDLAOVNMMVEN-UHFFFAOYSA-N 1 1 415.925 2.723 50 0 HFAAMO COc1ccccc1CN(C)C(=O)C[N@H+]1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000095995470 568678351 /nfs/dbraw/zinc/67/83/51/568678351.db2.gz MQXJSIPYOYMMMI-IRXDYDNUSA-N 1 1 405.539 2.889 50 0 HFAAMO CC(C)[C@@H](C(=O)N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000095995513 568678607 /nfs/dbraw/zinc/67/86/07/568678607.db2.gz SWLOFRKQOCEFLW-QQXKLLMISA-N 1 1 411.587 2.882 50 0 HFAAMO CCc1ccc(N2C[C@@H](C(=O)OCCC[NH+]3CCN(C(C)C)CC3)CC2=O)cc1 ZINC000225842766 568679748 /nfs/dbraw/zinc/67/97/48/568679748.db2.gz AAXMNGQHLMQMSM-FQEVSTJZSA-N 1 1 401.551 2.561 50 0 HFAAMO C[NH+]1CCN(C(=O)[C@H]2COC3(CCCCC3)N2C(=O)c2ccccc2Cl)CC1 ZINC000096274693 568714247 /nfs/dbraw/zinc/71/42/47/568714247.db2.gz KMNUTZJJXTVKIC-GOSISDBHSA-N 1 1 405.926 2.615 50 0 HFAAMO CCc1nc2cc(N3CCC(C(=O)N4CC[NH+](CC)CC4)CC3)cnc2nc1CC ZINC000096387408 568744227 /nfs/dbraw/zinc/74/42/27/568744227.db2.gz MGSCEXUTFZSQJN-UHFFFAOYSA-N 1 1 410.566 2.530 50 0 HFAAMO O=C(c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000002755751 568806652 /nfs/dbraw/zinc/80/66/52/568806652.db2.gz JAYCCZFGDAGENU-LBPRGKRZSA-N 1 1 405.380 2.928 50 0 HFAAMO O=C(NCC[NH+]1CCN(c2ccc(Cl)cc2)CC1)c1cc2ccccc2oc1=O ZINC000056997371 568822455 /nfs/dbraw/zinc/82/24/55/568822455.db2.gz UDULRQQDNOBJJC-UHFFFAOYSA-N 1 1 411.889 2.998 50 0 HFAAMO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000116785830 568937181 /nfs/dbraw/zinc/93/71/81/568937181.db2.gz YQTDNBMNJIMTOJ-OAHLLOKOSA-N 1 1 411.568 2.974 50 0 HFAAMO C[NH+]1CCN(c2ncc3c(n2)CCN(Cc2cccc(Br)c2)C3)CC1 ZINC000015779354 569001813 /nfs/dbraw/zinc/00/18/13/569001813.db2.gz REMLTANFIOBDRN-UHFFFAOYSA-N 1 1 402.340 2.549 50 0 HFAAMO COc1ccc(CN2CC[N@H+](C3CSCCSC3)C[C@H]2CCO)c(F)c1 ZINC000104313849 569008188 /nfs/dbraw/zinc/00/81/88/569008188.db2.gz LBYMKUNACGGNQD-MRXNPFEDSA-N 1 1 400.585 2.552 50 0 HFAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)COc1ccc2c(c1)OCO2 ZINC000583652890 569009347 /nfs/dbraw/zinc/00/93/47/569009347.db2.gz LWAVVWPOTCJCEN-PKOBYXMFSA-N 1 1 404.507 2.534 50 0 biogenic HFAAMO Cc1ccc2c(c1C)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016012480 569025578 /nfs/dbraw/zinc/02/55/78/569025578.db2.gz MWHGJMCVJKVUHD-UAKAABGRSA-N 1 1 419.456 2.874 50 0 HFAAMO C[C@H](NC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1)c1cccc2ccccc21 ZINC000229847226 569040629 /nfs/dbraw/zinc/04/06/29/569040629.db2.gz JKAQESWOQFHOJO-AZUAARDMSA-N 1 1 409.530 2.588 50 0 HFAAMO CS(=O)(=O)c1ccc([C@@H](O)C[N@H+]2CCC[C@H]2CN2CCc3ccccc32)cc1 ZINC000241644202 569054897 /nfs/dbraw/zinc/05/48/97/569054897.db2.gz PPCWEIHRWDYWNC-UGKGYDQZSA-N 1 1 400.544 2.651 50 0 HFAAMO CCOC(=O)[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H]1c1cc(OC)ccc1OC ZINC000242183870 569054986 /nfs/dbraw/zinc/05/49/86/569054986.db2.gz XCQAOXHUZMZQBH-RBUKOAKNSA-N 1 1 404.507 2.785 50 0 HFAAMO CCOC(=O)[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@H]1c1cc(OC)ccc1OC ZINC000242183870 569054987 /nfs/dbraw/zinc/05/49/87/569054987.db2.gz XCQAOXHUZMZQBH-RBUKOAKNSA-N 1 1 404.507 2.785 50 0 HFAAMO COc1ccc(CC[N@@H+](C)C[C@@H](O)COc2ccc(C(C)=O)cc2OC)cc1OC ZINC000006552207 569065280 /nfs/dbraw/zinc/06/52/80/569065280.db2.gz VIPVWGRBEZSTKS-LJQANCHMSA-N 1 1 417.502 2.829 50 0 HFAAMO COc1ccc(F)c(CN2CCC[C@]3(CC[N@@H+](CC(=O)N(C)C(C)C)C3)C2=O)c1 ZINC000426409221 569072782 /nfs/dbraw/zinc/07/27/82/569072782.db2.gz FJATUQCKFTVERP-JOCHJYFZSA-N 1 1 405.514 2.516 50 0 HFAAMO COc1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(Br)c1O ZINC000006646294 569079241 /nfs/dbraw/zinc/07/92/41/569079241.db2.gz TUVXIMBJINJKCP-OCCSQVGLSA-N 1 1 405.292 2.944 50 0 HFAAMO COc1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(Br)c1O ZINC000006646294 569079242 /nfs/dbraw/zinc/07/92/42/569079242.db2.gz TUVXIMBJINJKCP-OCCSQVGLSA-N 1 1 405.292 2.944 50 0 HFAAMO O[C@H](COCc1ccccc1)C[N@H+](CCN1CCOCC1)Cc1ccc(F)cc1F ZINC000036104004 569092287 /nfs/dbraw/zinc/09/22/87/569092287.db2.gz XJVYJMJIZMUSON-QFIPXVFZSA-N 1 1 420.500 2.677 50 0 HFAAMO O[C@H](COCc1ccccc1)C[N@@H+](CCN1CCOCC1)Cc1ccc(F)cc1F ZINC000036104004 569092289 /nfs/dbraw/zinc/09/22/89/569092289.db2.gz XJVYJMJIZMUSON-QFIPXVFZSA-N 1 1 420.500 2.677 50 0 HFAAMO CCN1CC[NH+](CCCNc2ccc(-c3nc(-c4ccc(OC)cc4)no3)nn2)CC1 ZINC000064838053 569106200 /nfs/dbraw/zinc/10/62/00/569106200.db2.gz QOLGYSGCLITHAJ-UHFFFAOYSA-N 1 1 423.521 2.642 50 0 HFAAMO COCCNC(=O)[C@H]1Cc2ccccc2N2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]12 ZINC000169679989 569126805 /nfs/dbraw/zinc/12/68/05/569126805.db2.gz CLCKCIAJLHHRPT-UNMCSNQZSA-N 1 1 413.949 2.966 50 0 HFAAMO Cc1nc(C)c(Cc2cccc(F)c2)c(N2CC[NH+](C[C@H](O)COC(C)C)CC2)n1 ZINC000036340164 569141509 /nfs/dbraw/zinc/14/15/09/569141509.db2.gz LSKJEFYTMHLPQA-NRFANRHFSA-N 1 1 416.541 2.731 50 0 HFAAMO Cc1nc(C)c(Cc2ccccc2F)c(N2CC[NH+](C[C@@H](O)COC(C)C)CC2)n1 ZINC000036340363 569141661 /nfs/dbraw/zinc/14/16/61/569141661.db2.gz ZKFGEAXPYIOIPC-HXUWFJFHSA-N 1 1 416.541 2.731 50 0 HFAAMO NC(=O)C1CC[NH+](CC(=O)N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccccc2)CC1 ZINC000036342367 569142187 /nfs/dbraw/zinc/14/21/87/569142187.db2.gz WTICOGZKRFPXGO-OAQYLSRUSA-N 1 1 408.477 2.701 50 0 HFAAMO CCCn1c2ccccc2c2cnn(CC(=O)NCCC[N@H+]3CCC[C@@H](C)C3)c(=O)c21 ZINC000006900123 569176217 /nfs/dbraw/zinc/17/62/17/569176217.db2.gz GIUSTDSNRXEQOQ-GOSISDBHSA-N 1 1 423.561 2.999 50 0 HFAAMO CCCCN1CCN(C(=O)c2ccnc(N3CC[NH2+][C@@H](c4ccccc4)C3)c2)CC1 ZINC000065255990 569208071 /nfs/dbraw/zinc/20/80/71/569208071.db2.gz FBWNOQFPTPWMJB-JOCHJYFZSA-N 1 1 407.562 2.790 50 0 HFAAMO CCCCN1CCN(C(=O)c2cccc(N3CC[NH2+][C@H](c4ccccc4)C3)n2)CC1 ZINC000065256321 569208419 /nfs/dbraw/zinc/20/84/19/569208419.db2.gz QJEAATIKEQMVMS-QFIPXVFZSA-N 1 1 407.562 2.790 50 0 HFAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)[C@H](C)N1Cc2ccccc2C1=O ZINC000524729906 569211876 /nfs/dbraw/zinc/21/18/76/569211876.db2.gz NWHXADSMJPJTPT-RCZSKKKRSA-N 1 1 413.562 2.770 50 0 biogenic HFAAMO CC(C)Cn1c2ccccc2n2nc(C(=O)NCC[N@H+]3CCC[C@@H](C)C3)cc2c1=O ZINC000065292430 569218150 /nfs/dbraw/zinc/21/81/50/569218150.db2.gz GBZUKZWBFIPAAH-QGZVFWFLSA-N 1 1 409.534 2.767 50 0 HFAAMO CCN1CC[NH+](CCC(=O)N2CCc3cccc(NC(=O)OC(C)(C)C)c32)CC1 ZINC000170599566 569242840 /nfs/dbraw/zinc/24/28/40/569242840.db2.gz BPSNPEFFJLUZFI-UHFFFAOYSA-N 1 1 402.539 2.950 50 0 HFAAMO NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2NS(=O)(=O)c2cccc(Cl)c2)C1 ZINC000170617460 569248129 /nfs/dbraw/zinc/24/81/29/569248129.db2.gz JFFJQZHYEAHFMS-HNNXBMFYSA-N 1 1 407.923 2.838 50 0 HFAAMO COc1ccc(C[N@@H+]2CCCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)cc1 ZINC000014101284 569258626 /nfs/dbraw/zinc/25/86/26/569258626.db2.gz UBYVCKDPTWAAEX-UHFFFAOYSA-N 1 1 417.531 2.550 50 0 HFAAMO COc1ccc(C[N@H+]2CCCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)cc1 ZINC000014101284 569258628 /nfs/dbraw/zinc/25/86/28/569258628.db2.gz UBYVCKDPTWAAEX-UHFFFAOYSA-N 1 1 417.531 2.550 50 0 HFAAMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(OCC(F)(F)F)nc1 ZINC000014311102 569259431 /nfs/dbraw/zinc/25/94/31/569259431.db2.gz MPZDZAVVTOBRAM-UHFFFAOYSA-N 1 1 409.408 2.785 50 0 HFAAMO C[C@@H](CC(C)(C)c1ccccc1)NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000089894798 569267793 /nfs/dbraw/zinc/26/77/93/569267793.db2.gz FKCNPYGILXNJTE-PZJWPPBQSA-N 1 1 415.578 2.572 50 0 HFAAMO O=C(NCCC[N@@H+]1CCO[C@H](c2ccccc2)C1)C(=O)Nc1ccccc1Cl ZINC000017178538 569276303 /nfs/dbraw/zinc/27/63/03/569276303.db2.gz JLAFHEWBBQNAOE-IBGZPJMESA-N 1 1 401.894 2.858 50 0 HFAAMO O=C(NCCC[N@H+]1CCO[C@H](c2ccccc2)C1)C(=O)Nc1ccccc1Cl ZINC000017178538 569276305 /nfs/dbraw/zinc/27/63/05/569276305.db2.gz JLAFHEWBBQNAOE-IBGZPJMESA-N 1 1 401.894 2.858 50 0 HFAAMO CCCNC(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000002104745 569282125 /nfs/dbraw/zinc/28/21/25/569282125.db2.gz JOZUTRHSMRQYDN-ODOSVJCGSA-N 1 1 420.550 2.907 50 0 HFAAMO CCCNC(=O)C[N@H+]1CC[C@]2(O)CCCC[C@@H]2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000002104745 569282126 /nfs/dbraw/zinc/28/21/26/569282126.db2.gz JOZUTRHSMRQYDN-ODOSVJCGSA-N 1 1 420.550 2.907 50 0 HFAAMO CC(C)(C)OC(=O)NC[C@@H](Cc1cccnc1)C[N@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000252535833 569292824 /nfs/dbraw/zinc/29/28/24/569292824.db2.gz GZLMZPRBQWCIEA-IEBWSBKVSA-N 1 1 404.555 2.743 50 0 HFAAMO CC[N@H+]1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3C)cc2)[C@H](C)C1 ZINC000253417714 569367340 /nfs/dbraw/zinc/36/73/40/569367340.db2.gz AJIWWRUQQILUDT-QGZVFWFLSA-N 1 1 401.532 2.962 50 0 HFAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 ZINC000007960790 569420370 /nfs/dbraw/zinc/42/03/70/569420370.db2.gz UVDYXXVBHUZLOU-IBGZPJMESA-N 1 1 401.532 2.726 50 0 HFAAMO CCn1cc(Br)cc1C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000078877765 569421282 /nfs/dbraw/zinc/42/12/82/569421282.db2.gz KHBFJEGXSHTSBM-UHFFFAOYSA-N 1 1 411.388 2.951 50 0 HFAAMO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)CCn2nc3ccccn3c2=O)c1 ZINC000079073995 569427035 /nfs/dbraw/zinc/42/70/35/569427035.db2.gz HBOBSPVRGZMFRW-UHFFFAOYSA-N 1 1 409.534 2.825 50 0 HFAAMO CCOC(=O)c1ccc2nc(C(F)(F)F)nc(NCCC[NH+]3CCOCC3)c2c1 ZINC000019881363 569433025 /nfs/dbraw/zinc/43/30/25/569433025.db2.gz MNUTXBUMRYFTPD-UHFFFAOYSA-N 1 1 412.412 2.960 50 0 HFAAMO CCOC(=O)C1=C(C[NH+]2CCC(C)CC2)NC(=O)N[C@H]1c1ccccc1OCC ZINC000067286798 571065273 /nfs/dbraw/zinc/06/52/73/571065273.db2.gz AVKUQQPAVJOEHQ-FQEVSTJZSA-N 1 1 401.507 2.988 50 0 HFAAMO C[NH+]1CCN([C@@H](CNS(=O)(=O)C2=Cc3ccccc3CC2)c2cccs2)CC1 ZINC000040034468 571141705 /nfs/dbraw/zinc/14/17/05/571141705.db2.gz XGCRXMMABWXISZ-FQEVSTJZSA-N 1 1 417.600 2.943 50 0 HFAAMO C[NH+]1CCN([C@H](CNS(=O)(=O)C2=Cc3ccccc3CC2)c2cccs2)CC1 ZINC000040034469 571141715 /nfs/dbraw/zinc/14/17/15/571141715.db2.gz XGCRXMMABWXISZ-HXUWFJFHSA-N 1 1 417.600 2.943 50 0 HFAAMO Cc1ccc(NC(=O)CN(C)C(=O)CN2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000040040200 571142455 /nfs/dbraw/zinc/14/24/55/571142455.db2.gz XSLKYIAQCIESGV-UHFFFAOYSA-N 1 1 408.546 2.600 50 0 HFAAMO CCN1CC[NH+](Cc2ccccc2CNC(=O)c2cccc(C[S@](C)=O)c2)CC1 ZINC000040107976 571167833 /nfs/dbraw/zinc/16/78/33/571167833.db2.gz QUKWVNXNIAZLJM-GDLZYMKVSA-N 1 1 413.587 2.633 50 0 HFAAMO Cc1[nH+]ccn1-c1ccc(NC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)cn1 ZINC000040118527 571174774 /nfs/dbraw/zinc/17/47/74/571174774.db2.gz PEEIANZACWRSTM-UHFFFAOYSA-N 1 1 411.487 2.540 50 0 HFAAMO C[C@@H]1C[NH+](C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)C[C@@H](C)O1 ZINC000040135474 571188681 /nfs/dbraw/zinc/18/86/81/571188681.db2.gz NRVWVPZOUIBERJ-ZIAGYGMSSA-N 1 1 417.369 2.711 50 0 HFAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cn(C2CC2)c2c(cc(F)c(F)c2OC)c1=O ZINC000009048200 571215874 /nfs/dbraw/zinc/21/58/74/571215874.db2.gz SDWPSAAWQSGXEG-CYBMUJFWSA-N 1 1 405.445 2.837 50 0 HFAAMO O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000069516177 571228755 /nfs/dbraw/zinc/22/87/55/571228755.db2.gz JKHLYOPQWQRPFS-UHFFFAOYSA-N 1 1 405.420 2.780 50 0 HFAAMO Cc1csc(NC(=O)C2CC[NH+](CC(=O)NC(=O)N[C@H]3CCCC[C@@H]3C)CC2)n1 ZINC000069950483 571250996 /nfs/dbraw/zinc/25/09/96/571250996.db2.gz ZRHLMYINTDPFIP-BBRMVZONSA-N 1 1 421.567 2.507 50 0 HFAAMO C[NH+]1CCN(c2ncc3c(n2)CCN(Cc2ccc(Br)s2)C3)CC1 ZINC000021262268 571315007 /nfs/dbraw/zinc/31/50/07/571315007.db2.gz JBIYIMNTTOAKRL-UHFFFAOYSA-N 1 1 408.369 2.611 50 0 HFAAMO COc1ccc2c(c1OC)C(=O)O[C@H]2[C@@H]1c2c(cc3c(c2OC)OCO3)CC[N@H+]1C ZINC000019418979 291225637 /nfs/dbraw/zinc/22/56/37/291225637.db2.gz AKNNEGZIBPJZJG-ZWKOTPCHSA-N 1 1 413.426 2.882 50 0 endogenous,in-man HFAAMO COc1ccc2c(c1OC)C(=O)O[C@H]2[C@@H]1c2c(cc3c(c2OC)OCO3)CC[N@@H+]1C ZINC000019418979 291225641 /nfs/dbraw/zinc/22/56/41/291225641.db2.gz AKNNEGZIBPJZJG-ZWKOTPCHSA-N 1 1 413.426 2.882 50 0 endogenous,in-man HFAAMO CN1CCN(c2ccc(C(=O)N[C@@H]3CCC[N@@H+](C4Cc5ccccc5C4)C3)cc2)CC1 ZINC000012437547 132359964 /nfs/dbraw/zinc/35/99/64/132359964.db2.gz GBFZFUHGTVCVGS-HSZRJFAPSA-N 1 1 418.585 2.800 50 0 HFAAMO CN1CCN(c2ccc(C(=O)N[C@@H]3CCC[N@H+](C4Cc5ccccc5C4)C3)cc2)CC1 ZINC000012437547 132359965 /nfs/dbraw/zinc/35/99/65/132359965.db2.gz GBFZFUHGTVCVGS-HSZRJFAPSA-N 1 1 418.585 2.800 50 0 HFAAMO COc1ccc(-c2nc3c4c(C)c(C)n(CC[NH+]5CCOCC5)c4ncn3n2)cc1 ZINC000020573196 523226551 /nfs/dbraw/zinc/22/65/51/523226551.db2.gz GJABJZKXBIYBBD-UHFFFAOYSA-N 1 1 406.490 2.704 50 0 HFAAMO Cc1ccc(C[N@H+]2CC[C@H](CNC(=O)Cn3c4ccccc4nc(C)c3=O)C2)cc1 ZINC000032974636 524470005 /nfs/dbraw/zinc/47/00/05/524470005.db2.gz VDKJRIDVRCHYPV-HXUWFJFHSA-N 1 1 404.514 2.652 50 0 HFAAMO Cc1cc(=O)oc2cc(OC[C@H](O)C[NH+]3CCN(c4ccccc4F)CC3)ccc12 ZINC000019909130 526149693 /nfs/dbraw/zinc/14/96/93/526149693.db2.gz PRQNCDPOUFVTMZ-QGZVFWFLSA-N 1 1 412.461 2.802 50 0 HFAAMO O=C([C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020018886 526456350 /nfs/dbraw/zinc/45/63/50/526456350.db2.gz FITRURPRTCKAKY-OAQYLSRUSA-N 1 1 409.505 2.561 50 0 HFAAMO Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022796419 557823341 /nfs/dbraw/zinc/82/33/41/557823341.db2.gz IMERBOACKSKVEH-HXUWFJFHSA-N 1 1 408.546 2.598 50 0 HFAAMO COc1cc(CN(C)Cc2c(C)n[nH]c2C)ccc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000015064815 557850661 /nfs/dbraw/zinc/85/06/61/557850661.db2.gz LQJXCSLYPLQOIZ-LJQANCHMSA-N 1 1 404.555 2.747 50 0 HFAAMO O=C(NCCC[N@@H+]1CCCC[C@H]1CO)c1cc(COc2ccc3ncccc3c2)on1 ZINC000011668043 558269816 /nfs/dbraw/zinc/26/98/16/558269816.db2.gz PUPQCGIIOQSRRZ-SFHVURJKSA-N 1 1 424.501 2.769 50 0 HFAAMO COc1ccc(CNCc2cnn(C)c2)cc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000011709711 558271175 /nfs/dbraw/zinc/27/11/75/558271175.db2.gz CYVWIBKRTRKKHH-QFIPXVFZSA-N 1 1 424.545 2.590 50 0 HFAAMO COc1ccc(CNCc2cnn(C)c2)cc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000011709711 558271177 /nfs/dbraw/zinc/27/11/77/558271177.db2.gz CYVWIBKRTRKKHH-QFIPXVFZSA-N 1 1 424.545 2.590 50 0 HFAAMO O=C(NCCc1nnc2n1CC[N@H+](CCCc1ccccc1)CC2)c1ccc(F)cc1 ZINC000011814353 558278770 /nfs/dbraw/zinc/27/87/70/558278770.db2.gz VPULVTDKQCTLKI-UHFFFAOYSA-N 1 1 421.520 2.881 50 0 HFAAMO Cc1cc(CNC(=O)c2cccc(OC3CCN(C4CC[NH+](C)CC4)CC3)c2)on1 ZINC000019792286 558283113 /nfs/dbraw/zinc/28/31/13/558283113.db2.gz UFKMAFPJCYVGIZ-UHFFFAOYSA-N 1 1 412.534 2.850 50 0 HFAAMO CCS(=O)(=O)c1ncc(CN2CC[N@H+]3CCC[C@@H]3C2)n1CCCc1ccccc1 ZINC000019795201 558284325 /nfs/dbraw/zinc/28/43/25/558284325.db2.gz UMTYKXHPMFYJPV-HXUWFJFHSA-N 1 1 416.591 2.590 50 0 HFAAMO COc1ccc2c(c1OC)[C@@H]([C@@H]1c3c(cc4c(c3OC)OCO4)CC[N@H+]1C)OC2=O ZINC000019801398 558285567 /nfs/dbraw/zinc/28/55/67/558285567.db2.gz IBCXQWACMNKPCL-PXNSSMCTSA-N 1 1 413.426 2.882 50 0 HFAAMO COc1ccc2c(c1OC)[C@@H]([C@@H]1c3c(cc4c(c3OC)OCO4)CC[N@@H+]1C)OC2=O ZINC000019801398 558285568 /nfs/dbraw/zinc/28/55/68/558285568.db2.gz IBCXQWACMNKPCL-PXNSSMCTSA-N 1 1 413.426 2.882 50 0 HFAAMO O=C1C[C@H]([NH2+]Cc2ccc3c(c2)OCO3)C(=O)N1c1ccc(Br)cc1 ZINC000019832319 558291941 /nfs/dbraw/zinc/29/19/41/558291941.db2.gz ZBHFUACXZWCEKR-AWEZNQCLSA-N 1 1 403.232 2.600 50 0 HFAAMO CC(=O)N1CCC([N@H+]2CCC[C@H](N3CCN(c4cccc(Cl)c4)CC3)C2)CC1 ZINC000019840061 558293675 /nfs/dbraw/zinc/29/36/75/558293675.db2.gz XUXCBLYSVKWKFE-QFIPXVFZSA-N 1 1 404.986 2.937 50 0 HFAAMO CSc1ncc(C[N@@H+]2CCC[C@@H](CNC(=O)c3ccc4c(c3)OCO4)C2)cn1 ZINC000011879775 558294477 /nfs/dbraw/zinc/29/44/77/558294477.db2.gz PGFINLFIYRJDIP-AWEZNQCLSA-N 1 1 400.504 2.569 50 0 HFAAMO CSc1ncc(C[N@H+]2CCC[C@@H](CNC(=O)c3ccc4c(c3)OCO4)C2)cn1 ZINC000011879775 558294481 /nfs/dbraw/zinc/29/44/81/558294481.db2.gz PGFINLFIYRJDIP-AWEZNQCLSA-N 1 1 400.504 2.569 50 0 HFAAMO COc1ccc(C[N@@H+]2CCN(Cc3cc(CC(C)C)n[nH]3)C[C@@H]2CCO)cc1C ZINC000019853017 558295934 /nfs/dbraw/zinc/29/59/34/558295934.db2.gz RAYCSIYHBFXWGA-QFIPXVFZSA-N 1 1 400.567 2.994 50 0 HFAAMO COc1ccc(C[N@H+]2CCN(Cc3cc(CC(C)C)n[nH]3)C[C@@H]2CCO)cc1C ZINC000019853017 558295937 /nfs/dbraw/zinc/29/59/37/558295937.db2.gz RAYCSIYHBFXWGA-QFIPXVFZSA-N 1 1 400.567 2.994 50 0 HFAAMO COc1cccc(C[N@H+]2CCC[C@H](NC(=O)CCN3Cc4ccccc4C3=O)C2)c1 ZINC000012022984 558309668 /nfs/dbraw/zinc/30/96/68/558309668.db2.gz GPYFFQRTUYQLQU-FQEVSTJZSA-N 1 1 407.514 2.822 50 0 HFAAMO COc1cc(CN2CC[N@H+](Cc3cccc(C)n3)[C@@H](CCO)C2)c(Cl)cc1O ZINC000020256847 558352209 /nfs/dbraw/zinc/35/22/09/558352209.db2.gz IQICKZHZXSSQJO-SFHVURJKSA-N 1 1 405.926 2.826 50 0 HFAAMO COc1cc(CN2CC[N@@H+](Cc3cccc(C)n3)[C@@H](CCO)C2)c(Cl)cc1O ZINC000020256847 558352211 /nfs/dbraw/zinc/35/22/11/558352211.db2.gz IQICKZHZXSSQJO-SFHVURJKSA-N 1 1 405.926 2.826 50 0 HFAAMO COc1ncc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccc(F)c(F)c2)C3)cn1 ZINC000012226214 558356993 /nfs/dbraw/zinc/35/69/93/558356993.db2.gz LUTPVFSHDXLMKM-OAQYLSRUSA-N 1 1 402.445 2.892 50 0 HFAAMO O=C1CCCN1CCC1CC[NH+]([C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)CC1 ZINC000020406572 558360200 /nfs/dbraw/zinc/36/02/00/558360200.db2.gz HEAYDAUBAJWWFS-SFHVURJKSA-N 1 1 403.910 2.696 50 0 HFAAMO CCc1ccc(C[N@@H+]2CCc3nnc([C@@H](C)NC(=O)COc4ccccc4)n3CC2)o1 ZINC000020451969 558366236 /nfs/dbraw/zinc/36/62/36/558366236.db2.gz KUVDLXPMZVONHX-QGZVFWFLSA-N 1 1 423.517 2.748 50 0 HFAAMO CC[C@H](O)CNC(=O)C1CC[NH+](C2CCN(CCCc3ccccc3)CC2)CC1 ZINC000020455042 558369020 /nfs/dbraw/zinc/36/90/20/558369020.db2.gz RQYCPCUKSQOWCE-QHCPKHFHSA-N 1 1 401.595 2.683 50 0 HFAAMO O=C(NCCC[NH+]1CCOCC1)c1cnn2c1nc(-c1ccccc1)cc2C(F)F ZINC000020500827 558380776 /nfs/dbraw/zinc/38/07/76/558380776.db2.gz RHWXELFLWKNBIC-UHFFFAOYSA-N 1 1 415.444 2.786 50 0 HFAAMO O=C(CNC(=O)c1ccc(Br)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020512570 558382357 /nfs/dbraw/zinc/38/23/57/558382357.db2.gz RAAFELSZSLIDRZ-UHFFFAOYSA-N 1 1 416.319 2.523 50 0 HFAAMO O=C([C@H]1CCC(=O)N(Cc2ccccc2F)C1)N1CCC[N@H+](Cc2ccccn2)CC1 ZINC000012431158 558405716 /nfs/dbraw/zinc/40/57/16/558405716.db2.gz DDJIEZFUBFIKFM-FQEVSTJZSA-N 1 1 424.520 2.694 50 0 HFAAMO O=C([C@H]1CCC(=O)N(Cc2ccccc2F)C1)N1CCC[N@@H+](Cc2ccccn2)CC1 ZINC000012431158 558405719 /nfs/dbraw/zinc/40/57/19/558405719.db2.gz DDJIEZFUBFIKFM-FQEVSTJZSA-N 1 1 424.520 2.694 50 0 HFAAMO COc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H](CN3CCOCC3)C2)c(OC)c1 ZINC000012432253 558406673 /nfs/dbraw/zinc/40/66/73/558406673.db2.gz ZGQQETLZBJLLTI-QGZVFWFLSA-N 1 1 400.523 2.638 50 0 HFAAMO COCC[N@H+]1CCC[C@@H](CNC(=O)c2cc(COc3c(C)cccc3C)on2)C1 ZINC000012457170 558417782 /nfs/dbraw/zinc/41/77/82/558417782.db2.gz AZNZAYCJYPGXGQ-SFHVURJKSA-N 1 1 401.507 2.959 50 0 HFAAMO Cc1ccc(C)c(C[N@@H+]2CCc3nnc([C@H](C)NC(=O)c4cccnc4)n3CC2)c1 ZINC000020905781 558420735 /nfs/dbraw/zinc/42/07/35/558420735.db2.gz AMUWAVNCUGJBRX-SFHVURJKSA-N 1 1 404.518 2.839 50 0 HFAAMO COCc1ccc(C(=O)NCc2nnc3n2CC[N@H+](Cc2cc(C)ccc2C)CC3)o1 ZINC000020906666 558421048 /nfs/dbraw/zinc/42/10/48/558421048.db2.gz GGJBZVNPGOSMOR-UHFFFAOYSA-N 1 1 423.517 2.623 50 0 HFAAMO Cc1cc(C)c(C[N@@H+]2CCc3nnc([C@@H](NS(C)(=O)=O)C(C)C)n3CC2)cc1C ZINC000020910045 558421949 /nfs/dbraw/zinc/42/19/49/558421949.db2.gz ALRQIXCJEXXWHI-FQEVSTJZSA-N 1 1 419.595 2.508 50 0 HFAAMO Cc1cccc(C[N@@H+]2CCc3nnc([C@H](C)NC(=O)COc4ccccc4)n3CC2)c1 ZINC000020997377 558427151 /nfs/dbraw/zinc/42/71/51/558427151.db2.gz AABUPYYWHJKQFD-IBGZPJMESA-N 1 1 419.529 2.901 50 0 HFAAMO Cc1nc(N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)cc(N2CCOCC2)[nH+]1 ZINC000021795222 558449497 /nfs/dbraw/zinc/44/94/97/558449497.db2.gz JQCSJXIZPKEDHS-UHFFFAOYSA-N 1 1 416.913 2.629 50 0 HFAAMO CC[C@@H]1CCCC[N@@H+]1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1C ZINC000004385781 558483038 /nfs/dbraw/zinc/48/30/38/558483038.db2.gz USIOWJORSQYKDG-GOSISDBHSA-N 1 1 409.534 2.555 50 0 HFAAMO CC[C@@H]1CCCC[N@H+]1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1C ZINC000004385781 558483041 /nfs/dbraw/zinc/48/30/41/558483041.db2.gz USIOWJORSQYKDG-GOSISDBHSA-N 1 1 409.534 2.555 50 0 HFAAMO Cc1ccc(S(N)(=O)=O)cc1C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000022619567 558503065 /nfs/dbraw/zinc/50/30/65/558503065.db2.gz AAYLECXXYGYMEY-LJQANCHMSA-N 1 1 421.950 2.863 50 0 HFAAMO COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000013057191 558508958 /nfs/dbraw/zinc/50/89/58/558508958.db2.gz XRAMSQMYPYSEQZ-IAGOWNOFSA-N 1 1 423.579 2.786 50 0 HFAAMO COc1cccc(C[N@@H+]2CCN(Cc3cccn3-c3ccccn3)C[C@@H]2CCO)c1 ZINC000022914398 558521169 /nfs/dbraw/zinc/52/11/69/558521169.db2.gz BTEPSUPNWBXNCC-NRFANRHFSA-N 1 1 406.530 2.950 50 0 HFAAMO COc1cccc(C[N@H+]2CCN(Cc3cccn3-c3ccccn3)C[C@@H]2CCO)c1 ZINC000022914398 558521172 /nfs/dbraw/zinc/52/11/72/558521172.db2.gz BTEPSUPNWBXNCC-NRFANRHFSA-N 1 1 406.530 2.950 50 0 HFAAMO 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CCOc1cc(C[NH2+]Cc2nnc3ccccn32)ccc1OCC(=O)N1CCCCC1 ZINC000007984378 568964164 /nfs/dbraw/zinc/96/41/64/568964164.db2.gz MVNPHKUFDHYOKY-UHFFFAOYSA-N 1 1 423.517 2.809 50 0 HFAAMO COc1ccc(CC[N@@H+](C)[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)cc1OC ZINC000008187533 568980646 /nfs/dbraw/zinc/98/06/46/568980646.db2.gz QRGVEOHHFCDCCX-HNNXBMFYSA-N 1 1 400.475 2.612 50 0 HFAAMO C[C@@H]1CSc2ccc(S(=O)(=O)N3CC[NH+](C4CCCC4)CC3)cc2NC1=O ZINC000015730839 568981351 /nfs/dbraw/zinc/98/13/51/568981351.db2.gz SVBZTQLTIGNSEL-CQSZACIVSA-N 1 1 409.577 2.616 50 0 HFAAMO CN(CC(=O)Nc1ccccc1Cl)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012814352 568989157 /nfs/dbraw/zinc/98/91/57/568989157.db2.gz KJVAMUFKTQRQJI-UHFFFAOYSA-N 1 1 414.937 2.555 50 0 HFAAMO CN1CCC([N@@H+]2CCN(Cc3ccccc3OC3CCCC3)C[C@H]2CCO)CC1 ZINC000104347960 569008407 /nfs/dbraw/zinc/00/84/07/569008407.db2.gz RCJLLVXMVQAGBF-JOCHJYFZSA-N 1 1 401.595 2.971 50 0 HFAAMO CN1CCC([N@H+]2CCN(Cc3ccccc3OC3CCCC3)C[C@H]2CCO)CC1 ZINC000104347960 569008408 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FSLCBPGAVFQBRQ-UHFFFAOYSA-N 1 1 413.481 2.844 50 0 HFAAMO CCOC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2F)noc1N1CCOCC1)C1CC1 ZINC000036313388 569133517 /nfs/dbraw/zinc/13/35/17/569133517.db2.gz CNAJVUSMIWGXLL-QGZVFWFLSA-N 1 1 419.497 2.679 50 0 HFAAMO CCOC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)noc1N1CCOCC1)CC1CC1 ZINC000036314008 569133877 /nfs/dbraw/zinc/13/38/77/569133877.db2.gz RYUXICPEQWZTBL-FQEVSTJZSA-N 1 1 415.534 2.788 50 0 HFAAMO CCc1nc2cc(N3CCC[C@@H](C(=O)N4CCC[N@@H+](C)CC4)C3)cnc2nc1CC ZINC000065227288 569200187 /nfs/dbraw/zinc/20/01/87/569200187.db2.gz HFECFXCNSARIMQ-QGZVFWFLSA-N 1 1 410.566 2.530 50 0 HFAAMO Cc1nc(-c2cccnc2N2CCC(C(=O)NCC[N@@H+]3CCCC[C@H]3C)CC2)no1 ZINC000065227638 569200475 /nfs/dbraw/zinc/20/04/75/569200475.db2.gz YUUPSORQDHRPGQ-MRXNPFEDSA-N 1 1 412.538 2.647 50 0 HFAAMO CCCNc1cc(N2CCC[C@@H](CCC(=O)NC[C@@H]3CCC[N@H+]3CC)C2)ncn1 ZINC000065242443 569204697 /nfs/dbraw/zinc/20/46/97/569204697.db2.gz DBTVTGAUTCUXIL-OALUTQOASA-N 1 1 402.587 2.896 50 0 HFAAMO O=C(Cn1cc(-c2ccc(F)cc2)oc1=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000065255670 569207899 /nfs/dbraw/zinc/20/78/99/569207899.db2.gz SSYKCOKTZFJSEP-UHFFFAOYSA-N 1 1 409.461 2.812 50 0 HFAAMO CC[C@@]1([NH+]2CCN(C(=O)Nc3ccc(SC)cc3)CC2)CCN(C(=O)NC)C1 ZINC000065292078 569217826 /nfs/dbraw/zinc/21/78/26/569217826.db2.gz ZWVGMKGCTNIBFR-HXUWFJFHSA-N 1 1 405.568 2.752 50 0 HFAAMO O=C(NC1CCCCC1)N1CCC[N@@H+]([C@@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000065293332 569218470 /nfs/dbraw/zinc/21/84/70/569218470.db2.gz MPLWRCXYMDRQDP-OAQYLSRUSA-N 1 1 416.541 2.977 50 0 HFAAMO O=C(NC1CCCCC1)N1CCC[N@H+]([C@@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000065293332 569218472 /nfs/dbraw/zinc/21/84/72/569218472.db2.gz MPLWRCXYMDRQDP-OAQYLSRUSA-N 1 1 416.541 2.977 50 0 HFAAMO CC(C)Cn1nc(CC(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c2ccccc2c1=O ZINC000170613733 569246773 /nfs/dbraw/zinc/24/67/73/569246773.db2.gz MUHVFQMKVBWERM-AVRDEDQJSA-N 1 1 410.562 2.976 50 0 HFAAMO Cc1ccc(-c2cc(=O)n(CC(=O)N3CC[NH+](CCc4ccccc4)CC3)cn2)cc1 ZINC000013807023 569257974 /nfs/dbraw/zinc/25/79/74/569257974.db2.gz MWKBRJWECFOZNN-UHFFFAOYSA-N 1 1 416.525 2.606 50 0 HFAAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)Cn1nnc(-c2ccccc2C)n1 ZINC000252430818 569285474 /nfs/dbraw/zinc/28/54/74/569285474.db2.gz LYLUJBCWPARIDH-TZIWHRDSSA-N 1 1 402.502 2.791 50 0 HFAAMO CC(C)[C@@H](C(=O)N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000252512609 569291872 /nfs/dbraw/zinc/29/18/72/569291872.db2.gz SWLOFRKQOCEFLW-PJVZLEMVSA-N 1 1 411.587 2.882 50 0 HFAAMO CC(C)[C@@H](C(=O)N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000252512609 569291873 /nfs/dbraw/zinc/29/18/73/569291873.db2.gz SWLOFRKQOCEFLW-PJVZLEMVSA-N 1 1 411.587 2.882 50 0 HFAAMO Cc1cccc(-n2nnnc2SCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000007687055 569300768 /nfs/dbraw/zinc/30/07/68/569300768.db2.gz XVDPHSLJWGUGTO-LJQANCHMSA-N 1 1 422.558 2.762 50 0 HFAAMO Cc1ccccc1C[N@H+](C)CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000013040095 569407820 /nfs/dbraw/zinc/40/78/20/569407820.db2.gz ZACPRARALLOMPX-UHFFFAOYSA-N 1 1 401.532 2.850 50 0 HFAAMO Cc1ccccc1C[N@@H+](C)CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000013040095 569407822 /nfs/dbraw/zinc/40/78/22/569407822.db2.gz ZACPRARALLOMPX-UHFFFAOYSA-N 1 1 401.532 2.850 50 0 HFAAMO COc1ccc([C@H](CNC(=O)C[N@@H+]2CCC[C@H](O)C2)c2c[nH]c3ccccc32)cc1 ZINC000039519527 571132416 /nfs/dbraw/zinc/13/24/16/571132416.db2.gz SQLHTDDHMVXOGF-RXVVDRJESA-N 1 1 407.514 2.881 50 0 HFAAMO COc1ccc([C@H](CNC(=O)C[N@H+]2CCC[C@H](O)C2)c2c[nH]c3ccccc32)cc1 ZINC000039519527 571132419 /nfs/dbraw/zinc/13/24/19/571132419.db2.gz SQLHTDDHMVXOGF-RXVVDRJESA-N 1 1 407.514 2.881 50 0 HFAAMO Cc1ccc(CN(C)C(=O)C[NH+]2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)o1 ZINC000008943994 571170168 /nfs/dbraw/zinc/17/01/68/571170168.db2.gz NFOSHUXITDXNFK-UHFFFAOYSA-N 1 1 413.474 2.626 50 0 HFAAMO NS(=O)(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@H](c3cc4ccccc4[nH]3)C2)c1 ZINC000040135398 571188239 /nfs/dbraw/zinc/18/82/39/571188239.db2.gz GTIFKELJCAIBLI-INIZCTEOSA-N 1 1 412.515 2.633 50 0 HFAAMO NS(=O)(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@H](c3cc4ccccc4[nH]3)C2)c1 ZINC000040135398 571188242 /nfs/dbraw/zinc/18/82/42/571188242.db2.gz GTIFKELJCAIBLI-INIZCTEOSA-N 1 1 412.515 2.633 50 0 HFAAMO O=C(C[NH+]1CCCC1)N1CCCN(S(=O)(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000009095053 571220647 /nfs/dbraw/zinc/22/06/47/571220647.db2.gz MUNIXJKXLBKSFB-QFIPXVFZSA-N 1 1 413.543 2.704 50 0 HFAAMO Cc1cc(C)n(-c2ccc(CNC(=O)c3ccc(N4CC[NH+](C)CC4)c(F)c3)cn2)n1 ZINC000069349756 571221529 /nfs/dbraw/zinc/22/15/29/571221529.db2.gz UTXHVGJOEMLQAQ-UHFFFAOYSA-N 1 1 422.508 2.705 50 0 HFAAMO COCCN(C[C@@H]1C[N@@H+](Cc2ccco2)C[C@H]1c1cccc(F)c1)C(=O)COC ZINC000245343463 571226174 /nfs/dbraw/zinc/22/61/74/571226174.db2.gz PLVKDHZHXBTYPY-RXVVDRJESA-N 1 1 404.482 2.756 50 0 HFAAMO COc1ccccc1OC[C@H](O)C[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000071281168 571290769 /nfs/dbraw/zinc/29/07/69/571290769.db2.gz CDOPIUQAEWACOI-MRXNPFEDSA-N 1 1 411.424 2.671 50 0 HFAAMO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O ZINC000010284939 571299278 /nfs/dbraw/zinc/29/92/78/571299278.db2.gz PXMGSNFXAFDPJM-UHFFFAOYSA-N 1 1 410.543 2.994 50 0 HFAAMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)c1ccc2ccccc2n1 ZINC000071835064 571302857 /nfs/dbraw/zinc/30/28/57/571302857.db2.gz URODJHDMLYQBBZ-UHFFFAOYSA-N 1 1 404.470 2.883 50 0 HFAAMO O=C([C@@H]1CSCCC(=O)N1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000077101322 571311620 /nfs/dbraw/zinc/31/16/20/571311620.db2.gz KDKZGEKYKSGZTL-FQEVSTJZSA-N 1 1 409.555 2.542 50 0 HFAAMO Cc1noc(C)c1CCC(=O)N1CC[NH+](CCn2ccnc2-c2ccccc2)CC1 ZINC000077158709 571311770 /nfs/dbraw/zinc/31/17/70/571311770.db2.gz NBLBQWALYMIFRZ-UHFFFAOYSA-N 1 1 407.518 2.932 50 0 HFAAMO Cc1nn(-c2ccc(C(=O)NCCC[NH+]3CCOCC3)cc2)c2c1C(=O)CC(C)(C)C2 ZINC000021717316 571314968 /nfs/dbraw/zinc/31/49/68/571314968.db2.gz BTXAJIDKWAJTCF-UHFFFAOYSA-N 1 1 424.545 2.788 50 0 HFAAMO COc1ccccc1N1CCN(CC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)CC1 ZINC000012588250 132364704 /nfs/dbraw/zinc/36/47/04/132364704.db2.gz YURUCGSYBWWHCG-NRFANRHFSA-N 1 1 422.573 2.723 50 0 HFAAMO COc1ccc(OC[C@H](O)C[NH+]2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000012819927 132367616 /nfs/dbraw/zinc/36/76/16/132367616.db2.gz WBWUJFWOMUJZLN-MRXNPFEDSA-N 1 1 411.424 2.671 50 0 HFAAMO CCOC(=O)c1cc2cc(NC(=O)C(=O)NCCC[N@@H+](C)C(C)C)ccc2s1 ZINC000041716850 521449249 /nfs/dbraw/zinc/44/92/49/521449249.db2.gz MUQNKWZLXHPYFK-UHFFFAOYSA-N 1 1 405.520 2.863 50 0 HFAAMO COc1ccc(-c2noc(-c3ccc(OCC(=O)N4CCC[N@@H+](C)CC4)cc3)n2)cc1 ZINC000032579116 523276929 /nfs/dbraw/zinc/27/69/29/523276929.db2.gz VDCAEICIZXHSFG-UHFFFAOYSA-N 1 1 422.485 2.955 50 0 HFAAMO CCc1ccc(C(=O)C[C@]2(O)c3ccccc3N(CN3CC[NH+](CC)CC3)C2=O)cc1 ZINC000020546578 523880015 /nfs/dbraw/zinc/88/00/15/523880015.db2.gz WPLRLWSPHIUJBO-VWLOTQADSA-N 1 1 421.541 2.651 50 0 HFAAMO Cc1nn2c(ncc3c2ccn(CCC[NH+]2CCOCC2)c3=O)c1-c1ccccc1 ZINC000040396360 526313387 /nfs/dbraw/zinc/31/33/87/526313387.db2.gz VNNSOSXTNLJJCY-UHFFFAOYSA-N 1 1 403.486 2.742 50 0 HFAAMO Cc1occc1C(=O)Nc1nc(CC(=O)NC[C@@H](c2ccco2)[NH+](C)C)cs1 ZINC000044852564 526815618 /nfs/dbraw/zinc/81/56/18/526815618.db2.gz BWXXFCFYUZCKRF-HNNXBMFYSA-N 1 1 402.476 2.851 50 0 HFAAMO O=C(C[N@@H+]1Cc2ccccc2[C@H](c2ccccc2)C1)N1CCN(c2ncccn2)CC1 ZINC000025457572 526823628 /nfs/dbraw/zinc/82/36/28/526823628.db2.gz XLAPYHHJHWVUTI-QHCPKHFHSA-N 1 1 413.525 2.773 50 0 HFAAMO O=C(COc1ccc2c(c1)oc(=O)cc2-c1ccccc1)NCCC[NH+]1CCOCC1 ZINC000020546625 526971213 /nfs/dbraw/zinc/97/12/13/526971213.db2.gz QZQMAXCSOSSLDU-UHFFFAOYSA-N 1 1 422.481 2.677 50 0 biogenic HFAAMO O=c1c2cnc3c(-c4ccc(F)cc4)cnn3c2ccn1CCC[NH+]1CCOCC1 ZINC000040396696 527470696 /nfs/dbraw/zinc/47/06/96/527470696.db2.gz KBGGYKIEGALJAK-UHFFFAOYSA-N 1 1 407.449 2.573 50 0 HFAAMO Cc1c(C(=O)N[C@H](C)C(C)C)nnn1-c1cccc2c1CC[N@H+](C1CCOCC1)C2 ZINC000071890393 557315010 /nfs/dbraw/zinc/31/50/10/557315010.db2.gz XWBFKMJHFZQTGV-MRXNPFEDSA-N 1 1 411.550 2.887 50 0 HFAAMO CCN1C[C@@H](C[N@@H+](C)C[C@H](O)COCc2ccccc2OC)Oc2ccccc21 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COc1cc(OC)cc(C(=O)NC[C@H]2CCC[N@H+](C3CSCCSC3)C2)c1 ZINC000015074923 558715466 /nfs/dbraw/zinc/71/54/66/558715466.db2.gz MZTOCXCGXMRMRM-OAHLLOKOSA-N 1 1 410.605 2.994 50 0 HFAAMO CCN(C[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1)C(=O)CN1CCCCC1=O ZINC000015077250 558717160 /nfs/dbraw/zinc/71/71/60/558717160.db2.gz QPRAECNJNMVHRZ-FQEVSTJZSA-N 1 1 403.542 2.941 50 0 HFAAMO CC[C@H]([NH2+]Cc1ccccc1S(=O)(=O)N1CCCCC1)C(=O)Nc1cc(C)on1 ZINC000032891469 558732194 /nfs/dbraw/zinc/73/21/94/558732194.db2.gz XMVSGYIHOHLHOV-KRWDZBQOSA-N 1 1 420.535 2.665 50 0 HFAAMO O=C1Nc2c(cccc2Cl)[C@]12[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000015998848 558765968 /nfs/dbraw/zinc/76/59/68/558765968.db2.gz AETXDEKUQJECHY-GEYWLOKFSA-N 1 1 407.857 2.771 50 0 HFAAMO O=C1Nc2c(cccc2Cl)[C@]12[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000015998848 558765969 /nfs/dbraw/zinc/76/59/69/558765969.db2.gz AETXDEKUQJECHY-GEYWLOKFSA-N 1 1 407.857 2.771 50 0 HFAAMO C[C@@H]1C[N@H+](CC2CCN(C(=O)CC3CN(C(=O)OC(C)(C)C)C3)CC2)C[C@H](C)O1 ZINC000072306965 558766395 /nfs/dbraw/zinc/76/63/95/558766395.db2.gz VWAYSZRXUXPMPQ-CALCHBBNSA-N 1 1 409.571 2.591 50 0 HFAAMO CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016010330 558766495 /nfs/dbraw/zinc/76/64/95/558766495.db2.gz SSLMCJSQHOSGLP-UGCAPWQASA-N 1 1 415.493 2.989 50 0 HFAAMO CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016012605 558766765 /nfs/dbraw/zinc/76/67/65/558766765.db2.gz ZVIYKMKLONBKOB-UAKAABGRSA-N 1 1 419.456 2.819 50 0 HFAAMO CC[N@@H+](Cc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@@H](C)c1cccc(O)c1 ZINC000072308227 558768535 /nfs/dbraw/zinc/76/85/35/558768535.db2.gz BKKCTDLUPAJHLG-KRWDZBQOSA-N 1 1 404.532 2.996 50 0 HFAAMO C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000072308992 558772053 /nfs/dbraw/zinc/77/20/53/558772053.db2.gz SKCKJVPXLZNXFF-LKOFEHJNSA-N 1 1 416.610 2.833 50 0 HFAAMO 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ZINC000039537953 558822145 /nfs/dbraw/zinc/82/21/45/558822145.db2.gz JBBMNCYWBJDTQX-JOCHJYFZSA-N 1 1 400.567 2.987 50 0 HFAAMO CCCn1cc(CN2CC[N@@H+](Cc3ccc(OC)c(C)c3)[C@H](CCO)C2)c(C)n1 ZINC000039537953 558822146 /nfs/dbraw/zinc/82/21/46/558822146.db2.gz JBBMNCYWBJDTQX-JOCHJYFZSA-N 1 1 400.567 2.987 50 0 HFAAMO O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000072312724 558838082 /nfs/dbraw/zinc/83/80/82/558838082.db2.gz KEMWHPDEOVFBIK-DENIHFKCSA-N 1 1 403.542 2.970 50 0 HFAAMO COCc1nnc(C(=O)Nc2ccc(C(=O)NCC[N@H+]3CCCC[C@@H]3C)cc2)s1 ZINC000033032147 558856612 /nfs/dbraw/zinc/85/66/12/558856612.db2.gz JRUYSWZCFZIINB-AWEZNQCLSA-N 1 1 417.535 2.541 50 0 HFAAMO COc1cccc(N2C[C@@H](C(=O)N3CCC[N@@H+](Cc4ccccc4)CC3)CC2=O)c1 ZINC000023021312 558865127 /nfs/dbraw/zinc/86/51/27/558865127.db2.gz NGWFGJHFZASESE-FQEVSTJZSA-N 1 1 407.514 2.783 50 0 HFAAMO CC(=O)N1CCCc2cc(S(=O)(=O)NCCC[N@H+](C)C3CCCCC3)ccc21 ZINC000033077323 558868608 /nfs/dbraw/zinc/86/86/08/558868608.db2.gz XXPROZPGZYZYMX-UHFFFAOYSA-N 1 1 407.580 2.919 50 0 HFAAMO O=C(NCc1ccccc1Cl)[C@@H]1C[C@@H](n2cnnn2)C[N@@H+]1C/C=C/c1ccccc1 ZINC000055108218 558872891 /nfs/dbraw/zinc/87/28/91/558872891.db2.gz CZSUXNJZSWHNNV-KJRVTTDBSA-N 1 1 422.920 2.972 50 0 HFAAMO O=C(NCc1ccccc1Cl)[C@@H]1C[C@@H](n2cnnn2)C[N@H+]1C/C=C/c1ccccc1 ZINC000055108218 558872892 /nfs/dbraw/zinc/87/28/92/558872892.db2.gz CZSUXNJZSWHNNV-KJRVTTDBSA-N 1 1 422.920 2.972 50 0 HFAAMO O=C(C[C@H]1C(=O)NCC[N@H+]1CC(c1ccccc1)c1ccccc1)N1CCCCO1 ZINC000055195726 558875474 /nfs/dbraw/zinc/87/54/74/558875474.db2.gz LYTWEPWZUXIZLT-QFIPXVFZSA-N 1 1 407.514 2.563 50 0 HFAAMO O=C(C[C@H]1C(=O)NCC[N@@H+]1CC(c1ccccc1)c1ccccc1)N1CCCCO1 ZINC000055195726 558875476 /nfs/dbraw/zinc/87/54/76/558875476.db2.gz LYTWEPWZUXIZLT-QFIPXVFZSA-N 1 1 407.514 2.563 50 0 HFAAMO Nc1nc(CN2CC[NH+](Cc3ccccc3)CC2)nc(N2CCCc3ccccc32)n1 ZINC000019371354 558879180 /nfs/dbraw/zinc/87/91/80/558879180.db2.gz FMXFTLMKAWTVPQ-UHFFFAOYSA-N 1 1 415.545 2.856 50 0 HFAAMO C[N@H+](Cc1cc2ccccc2s1)[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1O ZINC000055327458 558879398 /nfs/dbraw/zinc/87/93/98/558879398.db2.gz HEQNBNWZWUGBMR-OALUTQOASA-N 1 1 402.541 2.767 50 0 HFAAMO C[N@@H+](Cc1cc2ccccc2s1)[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1O ZINC000055327458 558879400 /nfs/dbraw/zinc/87/94/00/558879400.db2.gz HEQNBNWZWUGBMR-OALUTQOASA-N 1 1 402.541 2.767 50 0 HFAAMO Cc1cc2c(ccnc2N2CCC[C@H](C(=O)NCCC[NH+]3CCN(C)CC3)C2)s1 ZINC000033174073 558902373 /nfs/dbraw/zinc/90/23/73/558902373.db2.gz XUEZDSQLAKDWFT-SFHVURJKSA-N 1 1 415.607 2.575 50 0 HFAAMO C[N@H+](Cc1ccccc1)C[C@@H](O)Cn1cnc2ccc(Br)cc2c1=O ZINC000058162703 558906221 /nfs/dbraw/zinc/90/62/21/558906221.db2.gz LCUUMKXMAASJKA-MRXNPFEDSA-N 1 1 402.292 2.652 50 0 HFAAMO O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@@H+](CCCN2CCCC2=O)C1 ZINC000058179513 558910025 /nfs/dbraw/zinc/91/00/25/558910025.db2.gz IONWAIRYGPLRSG-AWEZNQCLSA-N 1 1 409.328 2.507 50 0 HFAAMO O=C(c1ccc(O)cn1)N1CCC[C@@H]([NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000072161197 558930010 /nfs/dbraw/zinc/93/00/10/558930010.db2.gz KSBNTZZIPWRAEQ-GOSISDBHSA-N 1 1 400.910 2.867 50 0 HFAAMO Cc1c(Cl)cccc1N(CC(=O)N1CC[NH+](C)CC1)S(=O)(=O)c1ccccc1 ZINC000019582791 558937673 /nfs/dbraw/zinc/93/76/73/558937673.db2.gz IGKINOBOFMSLCL-UHFFFAOYSA-N 1 1 421.950 2.618 50 0 HFAAMO COc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)c3csc(C)n3)C2)CC1 ZINC000061969711 558947539 /nfs/dbraw/zinc/94/75/39/558947539.db2.gz DKMWIMYQDZKLEU-QGZVFWFLSA-N 1 1 400.548 2.887 50 0 HFAAMO CCNc1cc(N2CCN(C(=O)c3ccc(Oc4ncccn4)cc3)CC2)[nH+]c(C)n1 ZINC000072437577 558980913 /nfs/dbraw/zinc/98/09/13/558980913.db2.gz VSYBDXLLPBFPQD-UHFFFAOYSA-N 1 1 419.489 2.762 50 0 HFAAMO O=C(c1ccc(-c2ccccc2)c(F)c1)[C@@H]1CCC[N@H+](Cc2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000067774233 558992821 /nfs/dbraw/zinc/99/28/21/558992821.db2.gz PVXSLXFNVOMLIX-QGZVFWFLSA-N 1 1 407.445 2.964 50 0 HFAAMO O=C(c1ccc(-c2ccccc2)c(F)c1)[C@@H]1CCC[N@@H+](Cc2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000067774233 558992823 /nfs/dbraw/zinc/99/28/23/558992823.db2.gz PVXSLXFNVOMLIX-QGZVFWFLSA-N 1 1 407.445 2.964 50 0 HFAAMO COC[C@@H]1CCN(C(=O)c2cccc(OC3CCN(C4CC[NH+](C)CC4)CC3)c2)C1 ZINC000067921634 558994747 /nfs/dbraw/zinc/99/47/47/558994747.db2.gz SPZYGYFPHYQIGR-LJQANCHMSA-N 1 1 415.578 2.733 50 0 HFAAMO O=C([C@H]1CCC[N@H+](C2CCN(c3nccc4ccccc43)CC2)C1)N1CCOCC1 ZINC000082109564 559038872 /nfs/dbraw/zinc/03/88/72/559038872.db2.gz PRBKFJXZIPTIEF-FQEVSTJZSA-N 1 1 408.546 2.774 50 0 HFAAMO O=C1C[C@@H]([NH2+]Cc2ccc3c(c2)OCO3)C(=O)N1c1ccc(Br)cc1 ZINC000096316606 559109607 /nfs/dbraw/zinc/10/96/07/559109607.db2.gz ZBHFUACXZWCEKR-CQSZACIVSA-N 1 1 403.232 2.600 50 0 HFAAMO COCCN(C[C@@H]1C[N@@H+](Cc2ccccn2)C[C@H]1c1cccc(F)c1)C(=O)COC ZINC000247828688 559142480 /nfs/dbraw/zinc/14/24/80/559142480.db2.gz KICQHJRPWYLXFG-UGKGYDQZSA-N 1 1 415.509 2.558 50 0 HFAAMO O=C(C[N@H+]1CCC[C@@H]1c1cccs1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000023763691 559180957 /nfs/dbraw/zinc/18/09/57/559180957.db2.gz FBBKKTWIMPPCNH-GOSISDBHSA-N 1 1 413.543 2.958 50 0 HFAAMO CC[C@H]1CCCC[N@@H+]1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(C)c1 ZINC000004930135 559209023 /nfs/dbraw/zinc/20/90/23/559209023.db2.gz LJAWOJQDYMPWPJ-SFHVURJKSA-N 1 1 409.534 2.555 50 0 HFAAMO CC[C@H]1CCCC[N@H+]1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(C)c1 ZINC000004930135 559209025 /nfs/dbraw/zinc/20/90/25/559209025.db2.gz LJAWOJQDYMPWPJ-SFHVURJKSA-N 1 1 409.534 2.555 50 0 HFAAMO C[C@H]1CCCC[N@H+]1CCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CCC1 ZINC000004971559 559220571 /nfs/dbraw/zinc/22/05/71/559220571.db2.gz LIXASXCVRWPERT-INIZCTEOSA-N 1 1 405.564 2.529 50 0 HFAAMO O=C(Nc1ccc2c(c1)OCCO2)[C@H]1CCC[N@H+](Cc2nc(-c3ccncc3)no2)C1 ZINC000062022923 560567504 /nfs/dbraw/zinc/56/75/04/560567504.db2.gz ZSFBMKPJWTURNM-INIZCTEOSA-N 1 1 421.457 2.754 50 0 HFAAMO O=C(Nc1ccc2c(c1)OCCO2)[C@H]1CCC[N@@H+](Cc2nc(-c3ccncc3)no2)C1 ZINC000062022923 560567506 /nfs/dbraw/zinc/56/75/06/560567506.db2.gz ZSFBMKPJWTURNM-INIZCTEOSA-N 1 1 421.457 2.754 50 0 HFAAMO O=C(C[NH2+]Cc1ccco1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000004964253 560620932 /nfs/dbraw/zinc/62/09/32/560620932.db2.gz RBTQKXHXVKAHGT-UHFFFAOYSA-N 1 1 411.911 2.836 50 0 HFAAMO COCCCN(C[C@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)COc1ccc2c(c1)OCO2 ZINC000583647571 560778858 /nfs/dbraw/zinc/77/88/58/560778858.db2.gz KWYYKALNXIXNJL-QUCCMNQESA-N 1 1 418.534 2.924 50 0 biogenic HFAAMO NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000103935092 560845069 /nfs/dbraw/zinc/84/50/69/560845069.db2.gz QTZIGUHAPDAKFP-LRSLUSHPSA-N 1 1 409.445 2.841 50 0 HFAAMO NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000103935092 560845070 /nfs/dbraw/zinc/84/50/70/560845070.db2.gz QTZIGUHAPDAKFP-LRSLUSHPSA-N 1 1 409.445 2.841 50 0 HFAAMO O=C(NCc1cccnc1)C(=O)NC[C@@H](c1cccs1)[N@@H+]1CCc2ccccc2C1 ZINC000022908085 568416288 /nfs/dbraw/zinc/41/62/88/568416288.db2.gz IFZFPAKVLDCWPX-FQEVSTJZSA-N 1 1 420.538 2.675 50 0 HFAAMO O=C(NCc1cccnc1)C(=O)NC[C@@H](c1cccs1)[N@H+]1CCc2ccccc2C1 ZINC000022908085 568416290 /nfs/dbraw/zinc/41/62/90/568416290.db2.gz IFZFPAKVLDCWPX-FQEVSTJZSA-N 1 1 420.538 2.675 50 0 HFAAMO COc1ccccc1-c1cc(C(=O)NCc2ccc(N3CCC[N@@H+](C)CC3)nc2)no1 ZINC000048261260 568433521 /nfs/dbraw/zinc/43/35/21/568433521.db2.gz OILVEYHAAPXXEF-UHFFFAOYSA-N 1 1 421.501 2.817 50 0 HFAAMO CN(C)c1nc(Cl)c([C@@H]2NC(=[NH2+])Nc3nc4cc5c(cc4n32)OCCCO5)s1 ZINC000048310460 568436720 /nfs/dbraw/zinc/43/67/20/568436720.db2.gz ICSHZINZSZKKOB-CQSZACIVSA-N 1 1 419.898 2.870 50 0 HFAAMO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2c2cc(OC)ccc2OC)C1 ZINC000048332876 568439357 /nfs/dbraw/zinc/43/93/57/568439357.db2.gz NFTRSCAXXPGNKG-VQIMIIECSA-N 1 1 404.507 2.642 50 0 HFAAMO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2c2cc(OC)ccc2OC)C1 ZINC000048332876 568439358 /nfs/dbraw/zinc/43/93/58/568439358.db2.gz NFTRSCAXXPGNKG-VQIMIIECSA-N 1 1 404.507 2.642 50 0 HFAAMO C[C@@H](CNC(=O)Nc1cccc(Cn2cccnc2=O)c1)[N@@H+]1CCc2sccc2C1 ZINC000048331728 568439850 /nfs/dbraw/zinc/43/98/50/568439850.db2.gz CFXBDOMMTHZYGR-INIZCTEOSA-N 1 1 423.542 2.921 50 0 HFAAMO C[C@@H](CNC(=O)Nc1cccc(Cn2cccnc2=O)c1)[N@H+]1CCc2sccc2C1 ZINC000048331728 568439851 /nfs/dbraw/zinc/43/98/51/568439851.db2.gz CFXBDOMMTHZYGR-INIZCTEOSA-N 1 1 423.542 2.921 50 0 HFAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)Cn2nnc3ccccc3c2=O)C1 ZINC000048341889 568440535 /nfs/dbraw/zinc/44/05/35/568440535.db2.gz CPSKGJHLWVTHNF-HDICACEKSA-N 1 1 419.529 2.586 50 0 HFAAMO O=C1Nc2ccccc2[C@@]12[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000049604895 568452484 /nfs/dbraw/zinc/45/24/84/568452484.db2.gz MFWGSYNXWRPJDO-RQXXJAGISA-N 1 1 407.857 2.771 50 0 biogenic HFAAMO CC[C@@H]1Oc2ccc(C)cc2N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000020000905 568586241 /nfs/dbraw/zinc/58/62/41/568586241.db2.gz QNFHKHHVSGOFNM-NRFANRHFSA-N 1 1 407.514 2.843 50 0 HFAAMO CC(=O)Nc1sc2c(c1[C@H](c1ccccn1)N1CC[NH+](CCO)CC1)CCCC2 ZINC000020192217 568593437 /nfs/dbraw/zinc/59/34/37/568593437.db2.gz YDEHBKJUAOJLBQ-NRFANRHFSA-N 1 1 414.575 2.680 50 0 HFAAMO Cc1ccc(-c2cn3nc(N4CCC[C@@H](C(=O)N5CC[NH+](C)CC5)C4)sc3n2)cc1 ZINC000020531955 568627775 /nfs/dbraw/zinc/62/77/75/568627775.db2.gz JSWABPRDNGXJAK-GOSISDBHSA-N 1 1 424.574 2.757 50 0 HFAAMO CC(C)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000021052351 568661019 /nfs/dbraw/zinc/66/10/19/568661019.db2.gz CGXZKJSYGZZSDM-GOSISDBHSA-N 1 1 415.625 2.822 50 0 HFAAMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2ccc(I)cc2)C[C@H](C)O1 ZINC000021055046 568661234 /nfs/dbraw/zinc/66/12/34/568661234.db2.gz HRWRWWHKJJJIPM-BETUJISGSA-N 1 1 416.303 2.909 50 0 HFAAMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2ccc(I)cc2)C[C@H](C)O1 ZINC000021055046 568661236 /nfs/dbraw/zinc/66/12/36/568661236.db2.gz HRWRWWHKJJJIPM-BETUJISGSA-N 1 1 416.303 2.909 50 0 HFAAMO O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)N1CC[NH+](Cc2ccccc2)CC1 ZINC000021146333 568670950 /nfs/dbraw/zinc/67/09/50/568670950.db2.gz VWARILZLMPUYBX-UHFFFAOYSA-N 1 1 422.554 2.681 50 0 HFAAMO O=C([C@H]1C[C@H]2CCC[N@H+]2[C@@]12C(=O)Nc1ccccc12)N1CCN(c2ccccc2)CC1 ZINC000096286766 568671814 /nfs/dbraw/zinc/67/18/14/568671814.db2.gz KUAUPPMPBWXYTF-DZRGJMJISA-N 1 1 416.525 2.667 50 0 HFAAMO O=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000096099735 568690657 /nfs/dbraw/zinc/69/06/57/568690657.db2.gz RBMLKVJCTXSGJK-GFCCVEGCSA-N 1 1 412.861 2.579 50 0 HFAAMO COC(=O)C1=C(C)C=C([NH+]2CCOCC2)[C@H](C(=O)OC)[C@@H]1c1ccc(Cl)cc1 ZINC000012402745 568710390 /nfs/dbraw/zinc/71/03/90/568710390.db2.gz RNBGLWZBJRVNBX-MOPGFXCFSA-N 1 1 405.878 2.932 50 0 HFAAMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1c[nH]c2ccccc21 ZINC000242273511 568732724 /nfs/dbraw/zinc/73/27/24/568732724.db2.gz YDHFYGCTNRIZIG-BEFAXECRSA-N 1 1 402.564 2.920 50 0 HFAAMO COc1cc(CNCc2cnn(C)c2)ccc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000015078849 568749896 /nfs/dbraw/zinc/74/98/96/568749896.db2.gz SPJHWWZAASFMCF-NRFANRHFSA-N 1 1 416.566 2.724 50 0 HFAAMO COc1ccccc1[C@@H](CNC(=O)/C=C\c1cn(Cc2ccccc2)nn1)[NH+](C)C ZINC000096943693 568765506 /nfs/dbraw/zinc/76/55/06/568765506.db2.gz RTMKUIAKJRIWTR-DZFTYQQFSA-N 1 1 405.502 2.767 50 0 HFAAMO O=S(=O)(NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)N1CCCCC1 ZINC000056124630 568786568 /nfs/dbraw/zinc/78/65/68/568786568.db2.gz XDGDRQCHHGQDEO-UHFFFAOYSA-N 1 1 405.486 2.990 50 0 HFAAMO C[N@@H+]1CCN(C(=O)C[C@@H](NC(N)=O)c2ccc(Cl)cc2)[C@H](c2ccccc2)C1 ZINC000230168332 568853713 /nfs/dbraw/zinc/85/37/13/568853713.db2.gz HCKYPAXWOZPWRV-MOPGFXCFSA-N 1 1 400.910 2.955 50 0 HFAAMO C[N@H+]1CCN(C(=O)C[C@@H](NC(N)=O)c2ccc(Cl)cc2)[C@H](c2ccccc2)C1 ZINC000230168332 568853714 /nfs/dbraw/zinc/85/37/14/568853714.db2.gz HCKYPAXWOZPWRV-MOPGFXCFSA-N 1 1 400.910 2.955 50 0 HFAAMO C[N@H+]1CCCCC[C@@H]1C(=O)N1CCC2(C[C@H]2C(=O)NCCCc2ccncc2)CC1 ZINC000299758157 568872824 /nfs/dbraw/zinc/87/28/24/568872824.db2.gz NZPCKZGXAJHWOL-LEWJYISDSA-N 1 1 412.578 2.634 50 0 HFAAMO C[N@H+]1CCCCC[C@@H]1C(=O)N1CCC2(C[C@@H]2C(=O)NCCCc2ccncc2)CC1 ZINC000299758159 568872952 /nfs/dbraw/zinc/87/29/52/568872952.db2.gz NZPCKZGXAJHWOL-NHCUHLMSSA-N 1 1 412.578 2.634 50 0 HFAAMO C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@H]1c1ccsc1)c1ccc(S(N)(=O)=O)cc1 ZINC000052804108 568879368 /nfs/dbraw/zinc/87/93/68/568879368.db2.gz SUIXVCYZXCAEKA-SUNYJGFJSA-N 1 1 407.561 2.798 50 0 HFAAMO O=C(CCNC(=O)c1ccc(F)cc1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000053009370 568921554 /nfs/dbraw/zinc/92/15/54/568921554.db2.gz QNFYTEVDBLUGBR-UHFFFAOYSA-N 1 1 401.457 2.819 50 0 HFAAMO O=C(CCNC(=O)c1ccc(F)cc1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000053009370 568921556 /nfs/dbraw/zinc/92/15/56/568921556.db2.gz QNFYTEVDBLUGBR-UHFFFAOYSA-N 1 1 401.457 2.819 50 0 HFAAMO Cc1cccc(C2N=NC(=S)N2CC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000012742297 568929343 /nfs/dbraw/zinc/92/93/43/568929343.db2.gz XSNNJEVCOVJOGX-LJQANCHMSA-N 1 1 407.543 2.933 50 0 HFAAMO C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000012745251 568931186 /nfs/dbraw/zinc/93/11/86/568931186.db2.gz GBTCXGJVIVZNQQ-AWEZNQCLSA-N 1 1 407.474 2.534 50 0 HFAAMO C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC000012755437 568942642 /nfs/dbraw/zinc/94/26/42/568942642.db2.gz LOHGMAWETSTUQG-QGZVFWFLSA-N 1 1 401.551 2.882 50 0 HFAAMO Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000012758617 568943651 /nfs/dbraw/zinc/94/36/51/568943651.db2.gz KRQZCVGUVULQIL-IBGZPJMESA-N 1 1 423.966 2.931 50 0 HFAAMO COc1ccc2c(c1)C[C@@H](C(=O)NCC[NH+]1CCN(c3cccc(C)c3C)CC1)CO2 ZINC000059560466 568959631 /nfs/dbraw/zinc/95/96/31/568959631.db2.gz JYVRTCROYORAFR-OAQYLSRUSA-N 1 1 423.557 2.802 50 0 HFAAMO COc1ccccc1[C@@H](CNC(=O)CNC(=O)Cc1cccc2ccccc21)[NH+](C)C ZINC000008088735 568973518 /nfs/dbraw/zinc/97/35/18/568973518.db2.gz WTQQVEJNEGXFBT-JOCHJYFZSA-N 1 1 419.525 2.926 50 0 HFAAMO Cc1ccc(NC(=O)CN(C)CC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)cc1 ZINC000012800231 568978571 /nfs/dbraw/zinc/97/85/71/568978571.db2.gz XEJNKRBEEMRPPN-UHFFFAOYSA-N 1 1 408.546 2.518 50 0 HFAAMO CC[N@@H+](CCCNC(=O)CCC(=O)N1CCCn2nc(C)cc21)Cc1ccccc1 ZINC000015728840 568979285 /nfs/dbraw/zinc/97/92/85/568979285.db2.gz SBIBZPQRKAZKGM-UHFFFAOYSA-N 1 1 411.550 2.737 50 0 HFAAMO COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)Nc2cccc(S(N)(=O)=O)c2)cc1 ZINC000008325435 568991343 /nfs/dbraw/zinc/99/13/43/568991343.db2.gz MDJFAVOCFVPVQW-HXUWFJFHSA-N 1 1 417.531 2.898 50 0 HFAAMO COc1ccc([C@H]2CCCCC[N@H+]2CC(=O)Nc2cccc(S(N)(=O)=O)c2)cc1 ZINC000008325435 568991345 /nfs/dbraw/zinc/99/13/45/568991345.db2.gz MDJFAVOCFVPVQW-HXUWFJFHSA-N 1 1 417.531 2.898 50 0 HFAAMO O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)N[C@H]1COc2ccccc2C1 ZINC000015787287 569007861 /nfs/dbraw/zinc/00/78/61/569007861.db2.gz OFKBVZZOPBJXBA-LJQANCHMSA-N 1 1 414.937 2.765 50 0 HFAAMO COc1ccc(C[N@@H+]2CCN(Cc3cnc(N(C)C)s3)C[C@H]2CCO)cc1C ZINC000104487675 569008780 /nfs/dbraw/zinc/00/87/80/569008780.db2.gz CYRJBFFIKVNUNV-GOSISDBHSA-N 1 1 404.580 2.595 50 0 HFAAMO COc1ccc(C[N@H+]2CCN(Cc3cnc(N(C)C)s3)C[C@H]2CCO)cc1C ZINC000104487675 569008781 /nfs/dbraw/zinc/00/87/81/569008781.db2.gz CYRJBFFIKVNUNV-GOSISDBHSA-N 1 1 404.580 2.595 50 0 HFAAMO COc1ccc(C[N@H+]2CCN(Cc3ccc(OC)c(O)c3)C[C@H]2CCO)cc1C ZINC000104495510 569008922 /nfs/dbraw/zinc/00/89/22/569008922.db2.gz QPCSLGIPVANGSB-HXUWFJFHSA-N 1 1 400.519 2.787 50 0 HFAAMO CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000016031642 569027975 /nfs/dbraw/zinc/02/79/75/569027975.db2.gz SSKZODUQLBCJAM-UGCAPWQASA-N 1 1 415.493 2.528 50 0 biogenic HFAAMO COc1ccc(Cl)cc1S(=O)(=O)N1CCC[N@H+](C2CCSCC2)CC1 ZINC000575615020 569036007 /nfs/dbraw/zinc/03/60/07/569036007.db2.gz AUPBBPFYYGAATG-UHFFFAOYSA-N 1 1 404.985 2.941 50 0 HFAAMO Cc1nc2c(c(=O)n1CC(=O)Nc1cccc(F)c1)CC[N@H+](Cc1ccccc1)C2 ZINC000035455992 569037859 /nfs/dbraw/zinc/03/78/59/569037859.db2.gz MHSSCSSVUMWNIW-UHFFFAOYSA-N 1 1 406.461 2.888 50 0 HFAAMO Cc1nc2c(c(=O)n1CC(=O)Nc1cccc(F)c1)CC[N@@H+](Cc1ccccc1)C2 ZINC000035455992 569037860 /nfs/dbraw/zinc/03/78/60/569037860.db2.gz MHSSCSSVUMWNIW-UHFFFAOYSA-N 1 1 406.461 2.888 50 0 HFAAMO CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000035485556 569039747 /nfs/dbraw/zinc/03/97/47/569039747.db2.gz RVKGMCXDGHVMIK-XQAUZQBESA-N 1 1 409.486 2.599 50 0 HFAAMO COC(=O)c1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1 ZINC000229722345 569040597 /nfs/dbraw/zinc/04/05/97/569040597.db2.gz XEHVGTSCNJTDLS-QUCCMNQESA-N 1 1 412.486 2.564 50 0 HFAAMO COc1cccc(C(=O)NCCNc2cc(Nc3ccccn3)nc(C)[nH+]2)c1OC ZINC000090607911 569042017 /nfs/dbraw/zinc/04/20/17/569042017.db2.gz UDJANNCFSRAGBV-UHFFFAOYSA-N 1 1 408.462 2.783 50 0 HFAAMO CC(C)CS(=O)(=O)c1ncc(CN2CC[N@H+]3CCC[C@H]3C2)n1Cc1ccccc1 ZINC000244873310 569055182 /nfs/dbraw/zinc/05/51/82/569055182.db2.gz WNXFWIOTMREVQQ-FQEVSTJZSA-N 1 1 416.591 2.641 50 0 HFAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)C2CCN(c3ccc(N4CCCC4)nn3)CC2)C1 ZINC000033256140 569059393 /nfs/dbraw/zinc/05/93/93/569059393.db2.gz QDFWOOJMUBKNNG-IBGZPJMESA-N 1 1 414.598 2.531 50 0 HFAAMO CC(C)C[C@H](NC(=O)[C@H]1Cc2ccccc2C[NH2+]1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000035807340 569060833 /nfs/dbraw/zinc/06/08/33/569060833.db2.gz FSSWUDMQQDPNJI-MOPGFXCFSA-N 1 1 409.486 2.599 50 0 HFAAMO CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]1[C@H]1CCC[N@H+]12 ZINC000035882977 569064602 /nfs/dbraw/zinc/06/46/02/569064602.db2.gz SSKZODUQLBCJAM-HSGJQSDISA-N 1 1 415.493 2.528 50 0 HFAAMO COc1cccc(C[N@H+]2CCC[C@]3(CCN(c4ncccc4C(N)=O)C3)C2)c1OC ZINC000426677929 569073767 /nfs/dbraw/zinc/07/37/67/569073767.db2.gz GKIUJBYJDXBLGL-QHCPKHFHSA-N 1 1 410.518 2.690 50 0 HFAAMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)C1 ZINC000036038255 569080331 /nfs/dbraw/zinc/08/03/31/569080331.db2.gz XWSVJJXEGXOFTK-WMLDXEAASA-N 1 1 411.955 2.616 50 0 HFAAMO Cc1ccccc1OC[C@@H](O)C[N@H+](CCN1CCOCC1)Cc1ccc(F)cc1F ZINC000036104021 569092300 /nfs/dbraw/zinc/09/23/00/569092300.db2.gz XQMJXCGCTJCFGZ-NRFANRHFSA-N 1 1 420.500 2.847 50 0 HFAAMO Cc1ccccc1OC[C@@H](O)C[N@@H+](CCN1CCOCC1)Cc1ccc(F)cc1F ZINC000036104021 569092301 /nfs/dbraw/zinc/09/23/01/569092301.db2.gz XQMJXCGCTJCFGZ-NRFANRHFSA-N 1 1 420.500 2.847 50 0 HFAAMO Cc1[nH+]c2cc3c(cc2n1CC(=O)NCc1ccc2c(c1)OCCCO2)OCCO3 ZINC000064814339 569100358 /nfs/dbraw/zinc/10/03/58/569100358.db2.gz LWZWLDSSOBCJOJ-UHFFFAOYSA-N 1 1 409.442 2.594 50 0 HFAAMO CCCN(C)C(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccc(OC)cc2)CC1 ZINC000036250721 569119800 /nfs/dbraw/zinc/11/98/00/569119800.db2.gz LREMWFQKTMNUOW-NRFANRHFSA-N 1 1 401.551 2.880 50 0 HFAAMO C[N@@H+](CCCNC(=O)Cn1c2ccccc2n2cccc2c1=O)Cc1ccccc1 ZINC000006782323 569120518 /nfs/dbraw/zinc/12/05/18/569120518.db2.gz IYMBRDHRZPXFSS-UHFFFAOYSA-N 1 1 402.498 2.893 50 0 HFAAMO CCCCOC[C@H](O)C[NH+]1CCN(c2nc(C)nc(C)c2Cc2ccccc2)CC1 ZINC000036340448 569141689 /nfs/dbraw/zinc/14/16/89/569141689.db2.gz HBKHCYAPFAYTGQ-JOCHJYFZSA-N 1 1 412.578 2.984 50 0 HFAAMO Cc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000036343055 569142207 /nfs/dbraw/zinc/14/22/07/569142207.db2.gz YATUQRRLOLSWCE-JOCHJYFZSA-N 1 1 404.514 2.870 50 0 HFAAMO Cc1cccc(-c2noc(-c3nn(CC(=O)N4CC[NH+](C)CC4)c4ccccc43)n2)c1 ZINC000065111349 569178950 /nfs/dbraw/zinc/17/89/50/569178950.db2.gz XGNMUYFIURIRDB-UHFFFAOYSA-N 1 1 416.485 2.836 50 0 HFAAMO CCCC[N@@H+](CCNC(=O)Cn1ncc2c3ccccc3[nH]c2c1=O)Cc1ccco1 ZINC000006937492 569185246 /nfs/dbraw/zinc/18/52/46/569185246.db2.gz ASHXNBYJGVWFSL-UHFFFAOYSA-N 1 1 421.501 2.889 50 0 HFAAMO C[C@H]1CCC[N@H+](Cc2nc(Cn3ccn4nc(-c5ccccc5)cc4c3=O)no2)C1 ZINC000065235931 569202597 /nfs/dbraw/zinc/20/25/97/569202597.db2.gz KOXMAVXXKHOBNA-INIZCTEOSA-N 1 1 404.474 2.826 50 0 HFAAMO C[C@H]1CCC[N@@H+](Cc2nc(Cn3ccn4nc(-c5ccccc5)cc4c3=O)no2)C1 ZINC000065235931 569202598 /nfs/dbraw/zinc/20/25/98/569202598.db2.gz KOXMAVXXKHOBNA-INIZCTEOSA-N 1 1 404.474 2.826 50 0 HFAAMO O=S(=O)(c1ccc(-c2nnc(C3CC3)o2)o1)N1CC[NH+](C2CCCCC2)CC1 ZINC000065246346 569205525 /nfs/dbraw/zinc/20/55/25/569205525.db2.gz CVAVYMAJHMDLIP-UHFFFAOYSA-N 1 1 406.508 2.846 50 0 HFAAMO CCOc1ccc(S(=O)(=O)NC[C@H](c2ccc(OC)c(OC)c2)[NH+](C)C)cc1 ZINC000007062164 569217056 /nfs/dbraw/zinc/21/70/56/569217056.db2.gz ORIXMJCRFWHPMI-GOSISDBHSA-N 1 1 408.520 2.684 50 0 HFAAMO COc1ccc(/C=C/C(=O)NCCNc2cc(-n3ccnc3C)nc(C)[nH+]2)cc1OC ZINC000036705801 569221937 /nfs/dbraw/zinc/22/19/37/569221937.db2.gz UCUYGJMHQYRBTM-SOFGYWHQSA-N 1 1 422.489 2.538 50 0 HFAAMO C[NH+]1CCN(C(=O)c2ccccc2N2CCC(NC(=O)CC(C)(C)C)CC2)CC1 ZINC000037277251 569245809 /nfs/dbraw/zinc/24/58/09/569245809.db2.gz IDTGCPAGBQDCEG-UHFFFAOYSA-N 1 1 400.567 2.595 50 0 HFAAMO CC[C@@H]1C[N@@H+](CC(C)(C)O)[C@H](CC)CN1C(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000170613513 569246891 /nfs/dbraw/zinc/24/68/91/569246891.db2.gz NLYBRWCUVSFPIP-HUUCEWRRSA-N 1 1 410.946 2.917 50 0 HFAAMO COc1cc(C(=O)NCCC[N@@H+]2CCO[C@@H](c3ccccc3)C2)cc(OC)c1OC ZINC000016943389 569268074 /nfs/dbraw/zinc/26/80/74/569268074.db2.gz XIDGGYLROZVZMD-OAQYLSRUSA-N 1 1 414.502 2.906 50 0 HFAAMO COc1cc(C(=O)NCCC[N@H+]2CCO[C@@H](c3ccccc3)C2)cc(OC)c1OC ZINC000016943389 569268075 /nfs/dbraw/zinc/26/80/75/569268075.db2.gz XIDGGYLROZVZMD-OAQYLSRUSA-N 1 1 414.502 2.906 50 0 HFAAMO CC(C)C[NH+]1CCN([C@@H]2CCOC3(CCN(C(=O)c4ccncc4)CC3)C2)CC1 ZINC000581820217 569321072 /nfs/dbraw/zinc/32/10/72/569321072.db2.gz YMGRNMJFHJGIFM-OAQYLSRUSA-N 1 1 400.567 2.509 50 0 HFAAMO COc1ccc([C@@H]2[C@H](C(=O)N(C)C[C@@H]3CCC[N@H+]4CCCC[C@H]34)CC(=O)N2C)cc1 ZINC000253396322 569365339 /nfs/dbraw/zinc/36/53/39/569365339.db2.gz BABDFVCADQDSRG-BWKHYTDRSA-N 1 1 413.562 2.938 50 0 biogenic HFAAMO COc1ccc([C@H]2[C@@H](C(=O)N(C)C[C@@H]3CCC[N@H+]4CCCC[C@H]34)CC(=O)N2C)cc1 ZINC000253396323 569365342 /nfs/dbraw/zinc/36/53/42/569365342.db2.gz BABDFVCADQDSRG-DXKRWKNPSA-N 1 1 413.562 2.938 50 0 biogenic HFAAMO O=C([C@@H]1CCC[N@@H+](Cc2csc(COc3ccc(F)cc3)n2)C1)N1CCOCC1 ZINC000054994499 569374740 /nfs/dbraw/zinc/37/47/40/569374740.db2.gz MLCMEYBWZIBMLK-MRXNPFEDSA-N 1 1 419.522 2.932 50 0 HFAAMO O=C([C@@H]1CCC[N@H+](Cc2csc(COc3ccc(F)cc3)n2)C1)N1CCOCC1 ZINC000054994499 569374741 /nfs/dbraw/zinc/37/47/41/569374741.db2.gz MLCMEYBWZIBMLK-MRXNPFEDSA-N 1 1 419.522 2.932 50 0 HFAAMO CCOc1ccc(NC(=S)N2CCC([N@@H+](C)CCN3CCOCC3)CC2)cc1 ZINC000019360110 569420431 /nfs/dbraw/zinc/42/04/31/569420431.db2.gz FIAZPKFILLFQFR-UHFFFAOYSA-N 1 1 406.596 2.511 50 0 HFAAMO Cc1c([C@H](C)[NH2+]Cc2cnn([C@@H]3CCS(=O)(=O)C3)c2)cnn1-c1ccc(F)cc1 ZINC000079100171 569427482 /nfs/dbraw/zinc/42/74/82/569427482.db2.gz DEODPEVSOXHLTF-IFXJQAMLSA-N 1 1 417.510 2.727 50 0 HFAAMO COc1ccc2cnn(CN3CC[NH+](C/C=C/c4ccccc4)CC3)c(=O)c2c1OC ZINC000079496142 569432850 /nfs/dbraw/zinc/43/28/50/569432850.db2.gz GYXXXTVAHMUPTG-RMKNXTFCSA-N 1 1 420.513 2.702 50 0 HFAAMO CCOC(=O)C1=C(C[NH+]2CCCC2)NC(=O)N[C@H]1c1cccc(Br)c1 ZINC000067286150 571064584 /nfs/dbraw/zinc/06/45/84/571064584.db2.gz XRFDOVDEDNBWBG-INIZCTEOSA-N 1 1 408.296 2.716 50 0 HFAAMO CCOC(=O)C1C(C[NH+]2CCCC2)=NC(=O)N[C@H]1c1cccc(Br)c1 ZINC000067286150 571064586 /nfs/dbraw/zinc/06/45/86/571064586.db2.gz XRFDOVDEDNBWBG-INIZCTEOSA-N 1 1 408.296 2.716 50 0 HFAAMO Cc1cccc(N2C(=O)C[C@@H]([NH+]3CCC(n4nnc(-c5cccs5)n4)CC3)C2=O)c1 ZINC000008694537 571102209 /nfs/dbraw/zinc/10/22/09/571102209.db2.gz ZQRXLAFBZVFFDN-QGZVFWFLSA-N 1 1 422.514 2.679 50 0 HFAAMO CCc1ccc([C@@H]([NH2+]CC(=O)N[C@]2(C)CCS(=O)(=O)C2)c2cccs2)cc1 ZINC000039990639 571136591 /nfs/dbraw/zinc/13/65/91/571136591.db2.gz IARVFUSYEOHEJQ-WOJBJXKFSA-N 1 1 406.573 2.683 50 0 HFAAMO C[C@@]12CCC(=O)N1[C@@H](C(=O)N1CC[NH+](Cc3csc4ccccc34)CC1)CS2 ZINC000040013340 571138431 /nfs/dbraw/zinc/13/84/31/571138431.db2.gz VBAUWIYDLOWASR-DYESRHJHSA-N 1 1 415.584 3.000 50 0 HFAAMO CC[C@](C)(CNC(=O)Cn1c2ccccc2nc1SC(F)F)[NH+]1CCOCC1 ZINC000040117713 571174710 /nfs/dbraw/zinc/17/47/10/571174710.db2.gz OWEMUQYFCWAPHP-LJQANCHMSA-N 1 1 412.506 2.968 50 0 HFAAMO CCCC[C@H]1CN(CC(=O)NC[C@H]2CC[N@@H+](CCOC)C2)Cc2ccccc2O1 ZINC000244758090 571206978 /nfs/dbraw/zinc/20/69/78/571206978.db2.gz OSFLDXAZVINGPV-CTNGQTDRSA-N 1 1 403.567 2.524 50 0 HFAAMO CC[N@@H+]1CCc2c(sc(NC(=O)Cc3ccc4c(c3)OCO4)c2C(=O)OC)C1 ZINC000009520894 571265627 /nfs/dbraw/zinc/26/56/27/571265627.db2.gz OMMAUBMOCUJDPI-UHFFFAOYSA-N 1 1 402.472 2.823 50 0 HFAAMO CC[N@H+]1CCc2c(sc(NC(=O)Cc3ccc4c(c3)OCO4)c2C(=O)OC)C1 ZINC000009520894 571265629 /nfs/dbraw/zinc/26/56/29/571265629.db2.gz OMMAUBMOCUJDPI-UHFFFAOYSA-N 1 1 402.472 2.823 50 0 HFAAMO COc1ccc2c(c1OC)C(=O)O[C@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CC[N@H+]1C ZINC000019418976 291225629 /nfs/dbraw/zinc/22/56/29/291225629.db2.gz AKNNEGZIBPJZJG-QZTJIDSGSA-N 1 1 413.426 2.882 50 0 endogenous,in-man HFAAMO COc1ccc2c(c1OC)C(=O)O[C@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CC[N@@H+]1C ZINC000019418976 291225634 /nfs/dbraw/zinc/22/56/34/291225634.db2.gz AKNNEGZIBPJZJG-QZTJIDSGSA-N 1 1 413.426 2.882 50 0 endogenous,in-man HFAAMO COc1ccccc1N1CC[NH+](C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 ZINC000002734809 132257348 /nfs/dbraw/zinc/25/73/48/132257348.db2.gz ZELVJTNQVDBJGG-UHFFFAOYSA-N 1 1 415.559 2.671 50 0 HFAAMO C[NH+](C)C[C@@H](O)COc1ccc(CN2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000012206532 132356815 /nfs/dbraw/zinc/35/68/15/132356815.db2.gz FETKCSYQQSCCBL-OAQYLSRUSA-N 1 1 403.954 2.964 50 0 HFAAMO CCOC(=O)N1CCN([C@H]2CCC[N@@H+](Cc3cccn3-c3nccs3)C2)CC1 ZINC000020600026 520962425 /nfs/dbraw/zinc/96/24/25/520962425.db2.gz QXOZWPLWSWGTOT-KRWDZBQOSA-N 1 1 403.552 2.672 50 0 HFAAMO CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H]1c1ccc(OC)c(OC)c1 ZINC000045004400 521097476 /nfs/dbraw/zinc/09/74/76/521097476.db2.gz KURCBZOGMNUATP-MSOLQXFVSA-N 1 1 404.507 2.785 50 0 HFAAMO CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@@H]1c1ccc(OC)c(OC)c1 ZINC000045004400 521097482 /nfs/dbraw/zinc/09/74/82/521097482.db2.gz KURCBZOGMNUATP-MSOLQXFVSA-N 1 1 404.507 2.785 50 0 HFAAMO CCN1CC[NH+](Cc2ccc(CNC(=O)C[C@@H](C)NC(=O)c3ccccc3)cc2)CC1 ZINC000032932416 521688223 /nfs/dbraw/zinc/68/82/23/521688223.db2.gz NJKWOGOLWHZPDL-HXUWFJFHSA-N 1 1 422.573 2.649 50 0 HFAAMO COc1cc(F)c(S(=O)(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)cc1OC ZINC000045797599 522581493 /nfs/dbraw/zinc/58/14/93/522581493.db2.gz WCHLLWIFQISXCG-OAHLLOKOSA-N 1 1 400.447 2.563 50 0 HFAAMO CCc1nn2c(ncc3c2ccn(N2CC[NH+](C)CC2)c3=O)c1-c1ccc(Cl)cc1 ZINC000040397471 522711219 /nfs/dbraw/zinc/71/12/19/522711219.db2.gz CEIOHSYUAXTAAJ-UHFFFAOYSA-N 1 1 422.920 2.810 50 0 HFAAMO COc1ccc(CN2CC[N@H+](Cc3ccc(O)c(OC)c3)C[C@@H]2CCO)c(F)c1 ZINC000020599126 524032538 /nfs/dbraw/zinc/03/25/38/524032538.db2.gz CIQNPFUEESQFMS-SFHVURJKSA-N 1 1 404.482 2.617 50 0 HFAAMO COc1ccc(CN2CC[N@@H+](Cc3ccc(O)c(OC)c3)C[C@@H]2CCO)c(F)c1 ZINC000020599126 524032541 /nfs/dbraw/zinc/03/25/41/524032541.db2.gz CIQNPFUEESQFMS-SFHVURJKSA-N 1 1 404.482 2.617 50 0 HFAAMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000033685244 525589971 /nfs/dbraw/zinc/58/99/71/525589971.db2.gz GIOAWWPCSIQNBC-FLFXDLLNSA-N 1 1 419.456 2.874 50 0 HFAAMO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[NH+]1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000032879616 526011608 /nfs/dbraw/zinc/01/16/08/526011608.db2.gz BPEMFQKGOAMGRB-KZNAEPCWSA-N 1 1 407.580 2.607 50 0 HFAAMO O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000032848476 526466209 /nfs/dbraw/zinc/46/62/09/526466209.db2.gz RXFSAONPANIQBO-UHFFFAOYSA-N 1 1 404.514 2.980 50 0 HFAAMO O=C(CN1C(=O)COc2ccccc21)N1CC[NH+](Cc2csc3ccccc23)CC1 ZINC000032757169 526710301 /nfs/dbraw/zinc/71/03/01/526710301.db2.gz TTZUVNONQQWIGM-UHFFFAOYSA-N 1 1 421.522 2.971 50 0 HFAAMO C[NH+](C)C[C@H](O)COc1ccc(CN2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000012206538 535955086 /nfs/dbraw/zinc/95/50/86/535955086.db2.gz FETKCSYQQSCCBL-NRFANRHFSA-N 1 1 403.954 2.964 50 0 HFAAMO Cc1c(C(=O)N2CCCC2)nnn1-c1cccc2c1CC[N@H+](Cc1ccccn1)C2 ZINC000071890456 557315461 /nfs/dbraw/zinc/31/54/61/557315461.db2.gz MJIJINDMUPMKCI-UHFFFAOYSA-N 1 1 402.502 2.765 50 0 HFAAMO Cc1c(C(=O)N2CCCC2)nnn1-c1cccc2c1CC[N@@H+](Cc1ccccn1)C2 ZINC000071890456 557315463 /nfs/dbraw/zinc/31/54/63/557315463.db2.gz MJIJINDMUPMKCI-UHFFFAOYSA-N 1 1 402.502 2.765 50 0 HFAAMO Cc1cc(=O)n(Cc2ccccc2F)c2cc(OCC(=O)N3CC[NH+](C)CC3)ccc12 ZINC000034836012 557467957 /nfs/dbraw/zinc/46/79/57/557467957.db2.gz GNOUPHFVQZMTML-UHFFFAOYSA-N 1 1 423.488 2.650 50 0 HFAAMO COc1cc(Cl)cc(CN2CC[C@@H]([N@@H+](C)CCc3ccccn3)[C@H](O)C2)c1OC ZINC000011820891 558284189 /nfs/dbraw/zinc/28/41/89/558284189.db2.gz DIFCZOQIDKDBRL-WOJBJXKFSA-N 1 1 419.953 2.862 50 0 HFAAMO c1ccc(CNc2nc3nonc3nc2N2CCC[N@@H+](Cc3ccccn3)CC2)cc1 ZINC000011821419 558284819 /nfs/dbraw/zinc/28/48/19/558284819.db2.gz AUXCVVXSUHTMHL-UHFFFAOYSA-N 1 1 416.489 2.732 50 0 HFAAMO CCN(Cc1ccncc1)Cc1ccccc1OC[C@H](O)C[NH+]1CCSCC1 ZINC000011936840 558300828 /nfs/dbraw/zinc/30/08/28/558300828.db2.gz MUUAUYBXLYIADO-OAQYLSRUSA-N 1 1 401.576 2.892 50 0 HFAAMO O=C(NCCc1ccccc1)[C@@H]1CCC[N@H+](C2CCN(C(=O)c3ccoc3)CC2)C1 ZINC000011947235 558302510 /nfs/dbraw/zinc/30/25/10/558302510.db2.gz QHZLIZFOTTXXMP-HXUWFJFHSA-N 1 1 409.530 2.955 50 0 HFAAMO O=C(CC[C@H]1CCC[N@@H+](CCCn2cccn2)C1)N1CCN(c2ccccn2)CC1 ZINC000019938834 558313251 /nfs/dbraw/zinc/31/32/51/558313251.db2.gz JVUSMBKSBBKMGP-OAQYLSRUSA-N 1 1 410.566 2.509 50 0 HFAAMO CCOC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CC[NH+]1CCOCC1 ZINC000019940183 558314006 /nfs/dbraw/zinc/31/40/06/558314006.db2.gz FSVFCRNKORLLTA-UHFFFAOYSA-N 1 1 424.295 2.768 50 0 HFAAMO CCOc1cc(C[N@@H+]2CCc3nnc([C@H](NC(=O)CC)C(C)C)n3CC2)ccc1O ZINC000012131459 558332835 /nfs/dbraw/zinc/33/28/35/558332835.db2.gz LYXSJNIWOLJDMQ-OAQYLSRUSA-N 1 1 415.538 2.664 50 0 HFAAMO COc1cccc(CN2C[C@@H](C(=O)N3CCC[N@H+](C4CCCC4)CC3)CCC2=O)c1 ZINC000020211684 558347889 /nfs/dbraw/zinc/34/78/89/558347889.db2.gz YFINRDRUBLJPIN-FQEVSTJZSA-N 1 1 413.562 2.911 50 0 HFAAMO CC(=O)N1CCC(Oc2ccc(Cl)cc2C(=O)NCCn2cc[nH+]c2C)CC1 ZINC000012203529 558351972 /nfs/dbraw/zinc/35/19/72/558351972.db2.gz BMEMQTMDEOTYBV-UHFFFAOYSA-N 1 1 404.898 2.665 50 0 HFAAMO O=C(NCc1ccc(F)cc1F)[C@@H]1CCC[N@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000012209046 558353515 /nfs/dbraw/zinc/35/35/15/558353515.db2.gz CSMLDTLSFLITMS-QGZVFWFLSA-N 1 1 405.489 2.694 50 0 HFAAMO CCN(C[C@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1)C(=O)Cc1nonc1C ZINC000012229030 558357604 /nfs/dbraw/zinc/35/76/04/558357604.db2.gz MICPVXUWHFYADW-IBGZPJMESA-N 1 1 400.523 2.732 50 0 HFAAMO CCc1nnc(NC(=O)CCC(=O)N2CC[NH+](Cc3ccc(C)cc3C)CC2)s1 ZINC000020392919 558359401 /nfs/dbraw/zinc/35/94/01/558359401.db2.gz GFAYGMYLYFFSNE-UHFFFAOYSA-N 1 1 415.563 2.780 50 0 HFAAMO COc1cc(OC)c(CN2CC[N@@H+](Cc3ccccc3)[C@@H](CCO)C2)c(OC)c1 ZINC000020450939 558365549 /nfs/dbraw/zinc/36/55/49/558365549.db2.gz BTAIRJLACQBYSQ-IBGZPJMESA-N 1 1 400.519 2.781 50 0 HFAAMO COCc1ccc(C[N@@H+]2CCC[C@@H](CNS(=O)(=O)c3ccc(OC)cc3)C2)o1 ZINC000012298264 558368552 /nfs/dbraw/zinc/36/85/52/558368552.db2.gz MDZDLMYKISTUTR-INIZCTEOSA-N 1 1 408.520 2.625 50 0 HFAAMO COCc1ccc(C[N@H+]2CCC[C@@H](CNS(=O)(=O)c3ccc(OC)cc3)C2)o1 ZINC000012298264 558368553 /nfs/dbraw/zinc/36/85/53/558368553.db2.gz MDZDLMYKISTUTR-INIZCTEOSA-N 1 1 408.520 2.625 50 0 HFAAMO COc1ccc(C[N@@H+]2CCN(Cc3cc(OC)cc(OC)c3)[C@@H](CCO)C2)cc1 ZINC000020454923 558368613 /nfs/dbraw/zinc/36/86/13/558368613.db2.gz HGGVPCWNVXRXAF-FQEVSTJZSA-N 1 1 400.519 2.781 50 0 HFAAMO COc1ccc(C[N@H+]2CCN(Cc3cc(OC)cc(OC)c3)[C@@H](CCO)C2)cc1 ZINC000020454923 558368616 /nfs/dbraw/zinc/36/86/16/558368616.db2.gz HGGVPCWNVXRXAF-FQEVSTJZSA-N 1 1 400.519 2.781 50 0 HFAAMO O=C(CC[NH+]1CCN(CC(=O)Nc2ccc(F)cc2)CC1)Nc1cccc(F)c1 ZINC000022930519 558396954 /nfs/dbraw/zinc/39/69/54/558396954.db2.gz HQTCHJJQAHKPBU-UHFFFAOYSA-N 1 1 402.445 2.550 50 0 HFAAMO COCCc1ncc(C[N@H+]2CCC[C@@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)cn1 ZINC000012456992 558417568 /nfs/dbraw/zinc/41/75/68/558417568.db2.gz DCBILYAYHQAZLL-LJQANCHMSA-N 1 1 420.517 2.702 50 0 HFAAMO Cc1c(C(=O)N2CCCCC2)sc2ncnc(NCCC[NH+]3CCOCC3)c12 ZINC000020869468 558418333 /nfs/dbraw/zinc/41/83/33/558418333.db2.gz HUQJYDJFKJJXBB-UHFFFAOYSA-N 1 1 403.552 2.760 50 0 HFAAMO Cc1nonc1CN(C)Cc1ccc(OC[C@H](O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000012458952 558418457 /nfs/dbraw/zinc/41/84/57/558418457.db2.gz AWVTXLOXKHJSJW-OAQYLSRUSA-N 1 1 410.518 2.882 50 0 HFAAMO CCN1CCN(CC(=O)N2CC[C@@]3(C2)CCC[N@H+](CCC2CCCCC2)C3)CC1 ZINC000020905506 558420670 /nfs/dbraw/zinc/42/06/70/558420670.db2.gz MXHAZGSWMSFJMZ-DEOSSOPVSA-N 1 1 404.643 2.909 50 0 HFAAMO CCN1CCN(CC(=O)N2CC[C@@]3(C2)CCC[N@@H+](CCC2CCCCC2)C3)CC1 ZINC000020905506 558420672 /nfs/dbraw/zinc/42/06/72/558420672.db2.gz MXHAZGSWMSFJMZ-DEOSSOPVSA-N 1 1 404.643 2.909 50 0 HFAAMO O=C(NCc1cc(F)cc(F)c1)[C@@H]1CCC[N@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000012580021 558432341 /nfs/dbraw/zinc/43/23/41/558432341.db2.gz CJAMYEVVRFMMPX-QGZVFWFLSA-N 1 1 405.489 2.694 50 0 HFAAMO O=C(C[C@@H]1C(=O)NCC[N@@H+]1C1Cc2ccccc2C1)N1CCC(c2ccccc2)CC1 ZINC000012587831 558434552 /nfs/dbraw/zinc/43/45/52/558434552.db2.gz RZHUOHIXVQYTJI-XMMPIXPASA-N 1 1 417.553 2.751 50 0 HFAAMO O=C(C[C@@H]1C(=O)NCC[N@H+]1C1Cc2ccccc2C1)N1CCC(c2ccccc2)CC1 ZINC000012587831 558434554 /nfs/dbraw/zinc/43/45/54/558434554.db2.gz RZHUOHIXVQYTJI-XMMPIXPASA-N 1 1 417.553 2.751 50 0 HFAAMO O=C(NCCCn1cccn1)[C@@H]1CCC[N@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000012708738 558451010 /nfs/dbraw/zinc/45/10/10/558451010.db2.gz MMFNGQVWVCCVBW-JOCHJYFZSA-N 1 1 409.578 2.766 50 0 HFAAMO COc1ccccc1N1CCN([C@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000021822048 558451191 /nfs/dbraw/zinc/45/11/91/558451191.db2.gz BIQZMJOUJYUZCH-OAQYLSRUSA-N 1 1 422.573 2.550 50 0 HFAAMO COc1cc(OC)cc(C(=O)NC[C@H]2CCC[N@H+](Cc3cnc(SC)nc3)C2)c1 ZINC000012709086 558451327 /nfs/dbraw/zinc/45/13/27/558451327.db2.gz SCYCVVXZCORNKV-OAHLLOKOSA-N 1 1 416.547 2.858 50 0 HFAAMO COc1cc(OC)cc(C(=O)NC[C@H]2CCC[N@@H+](Cc3cnc(SC)nc3)C2)c1 ZINC000012709086 558451328 /nfs/dbraw/zinc/45/13/28/558451328.db2.gz SCYCVVXZCORNKV-OAHLLOKOSA-N 1 1 416.547 2.858 50 0 HFAAMO O=C(C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)N1CCN(c2ccccc2F)CC1 ZINC000022014895 558457792 /nfs/dbraw/zinc/45/77/92/558457792.db2.gz DSJFACWTAMDBMK-LJQANCHMSA-N 1 1 424.520 2.825 50 0 HFAAMO CCOC(=O)C1=C(C[N@@H+]2C[C@H](C)C[C@H](C)C2)NC(=O)N[C@@H]1c1ccc2c(c1)OCO2 ZINC000004384659 558482234 /nfs/dbraw/zinc/48/22/34/558482234.db2.gz JGJYVIGWLAJVFX-LAPQFRIASA-N 1 1 415.490 2.564 50 0 HFAAMO CCOC(=O)C1C(C[N@H+]2C[C@H](C)C[C@H](C)C2)=NC(=O)N[C@@H]1c1ccc2c(c1)OCO2 ZINC000004384659 558482237 /nfs/dbraw/zinc/48/22/37/558482237.db2.gz JGJYVIGWLAJVFX-LAPQFRIASA-N 1 1 415.490 2.564 50 0 HFAAMO CCOC(=O)C1C(C[N@@H+]2C[C@H](C)C[C@H](C)C2)=NC(=O)N[C@@H]1c1ccc2c(c1)OCO2 ZINC000004384659 558482239 /nfs/dbraw/zinc/48/22/39/558482239.db2.gz JGJYVIGWLAJVFX-LAPQFRIASA-N 1 1 415.490 2.564 50 0 HFAAMO COc1ccccc1[C@@H](CNC(=O)COc1ccc(C(C)=O)cc1OC)[NH+](C)C ZINC000022678980 558504277 /nfs/dbraw/zinc/50/42/77/558504277.db2.gz DJEJNZQJWWULSZ-GOSISDBHSA-N 1 1 400.475 2.704 50 0 HFAAMO COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[N@@H+]1CCCC[C@@H]1C ZINC000013040558 558506976 /nfs/dbraw/zinc/50/69/76/558506976.db2.gz MYOWNXCKLWJGHW-INIZCTEOSA-N 1 1 409.552 2.683 50 0 HFAAMO COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[N@H+]1CCCC[C@@H]1C ZINC000013040558 558506977 /nfs/dbraw/zinc/50/69/77/558506977.db2.gz MYOWNXCKLWJGHW-INIZCTEOSA-N 1 1 409.552 2.683 50 0 HFAAMO 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O=C(NC1CC1)C1CC[NH+](Cc2cc(=O)n3c(-c4ccccc4)csc3n2)CC1 ZINC000058088470 558898429 /nfs/dbraw/zinc/89/84/29/558898429.db2.gz FWSDLMGBNNWQBS-UHFFFAOYSA-N 1 1 408.527 2.914 50 0 HFAAMO Cc1cc2nc(C)c(=O)n(CC(=O)NCCC[N@H+](C)Cc3ccccc3)c2cc1C ZINC000033254812 558921213 /nfs/dbraw/zinc/92/12/13/558921213.db2.gz OIKHLPXNBUDLOO-UHFFFAOYSA-N 1 1 406.530 2.960 50 0 HFAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)c2cccc(CN3C(=O)CSC3=O)c2)ccn1 ZINC000058379561 558923113 /nfs/dbraw/zinc/92/31/13/558923113.db2.gz MSVMNBCSYRHBES-UHFFFAOYSA-N 1 1 421.482 2.701 50 0 HFAAMO CCn1c2ccccc2nc(SCC(=O)NCCC[N@H+]2CCC[C@@H](C)C2)c1=O ZINC000033259828 558928611 /nfs/dbraw/zinc/92/86/11/558928611.db2.gz QVCFTFYLQHTODW-MRXNPFEDSA-N 1 1 402.564 2.747 50 0 HFAAMO Cc1ccc(NC(=O)N2CCN(c3cc[nH+]c(N4CCOCC4)n3)CC2)c(Cl)c1 ZINC000072437019 558980465 /nfs/dbraw/zinc/98/04/65/558980465.db2.gz ZBYVIVTZWOCJRA-UHFFFAOYSA-N 1 1 416.913 2.629 50 0 HFAAMO Cc1ccc(C)c(NC(=O)CN(C)C(=O)CN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000023162492 559023039 /nfs/dbraw/zinc/02/30/39/559023039.db2.gz ONHWXMSJNJVHQW-UHFFFAOYSA-N 1 1 408.546 2.518 50 0 HFAAMO Cc1csc(CNC(=O)[C@H]2CCC[N@H+](C3CCN(Cc4cccnc4)CC3)C2)n1 ZINC000082091185 559036892 /nfs/dbraw/zinc/03/68/92/559036892.db2.gz TZKGDAFHUHWEIM-IBGZPJMESA-N 1 1 413.591 2.839 50 0 HFAAMO Cc1nc(CNC(=O)[C@H]2CCC[N@H+](C3CCN(Cc4ccncc4)CC3)C2)cs1 ZINC000082120999 559039508 /nfs/dbraw/zinc/03/95/08/559039508.db2.gz NKCHCIGXTGOBHU-IBGZPJMESA-N 1 1 413.591 2.839 50 0 HFAAMO Cc1cc(CNC(=O)[C@H]2CCC[N@@H+](C3CCN(C4Cc5ccccc5C4)CC3)C2)on1 ZINC000091690020 559072897 /nfs/dbraw/zinc/07/28/97/559072897.db2.gz VKXPEKDDCPOGMI-NRFANRHFSA-N 1 1 422.573 2.943 50 0 HFAAMO Cc1cc(CNC(=O)[C@H]2CCC[N@H+](C3CCN(C4Cc5ccccc5C4)CC3)C2)on1 ZINC000091690020 559072899 /nfs/dbraw/zinc/07/28/99/559072899.db2.gz VKXPEKDDCPOGMI-NRFANRHFSA-N 1 1 422.573 2.943 50 0 HFAAMO O=C(NCc1cc2n(n1)CC[N@H+](C1CCCCC1)C2)[C@@H]1CC(=O)OC12CCCC2 ZINC000091793399 559073598 /nfs/dbraw/zinc/07/35/98/559073598.db2.gz LGDBJPNOSYUWLC-IBGZPJMESA-N 1 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CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CCN(Cc2cnc(SC)nc2)CC1 ZINC000011708945 559241457 /nfs/dbraw/zinc/24/14/57/559241457.db2.gz OOPFEMHRNYWOEP-IBGZPJMESA-N 1 1 405.612 2.791 50 0 HFAAMO Cc1cc2c(cc3c(=O)n(CC(=O)NCCC[N@@H+]4C[C@H](C)C[C@H](C)C4)ncn23)s1 ZINC000005131616 559249472 /nfs/dbraw/zinc/24/94/72/559249472.db2.gz CUKYCGWTRLVYIS-GASCZTMLSA-N 1 1 415.563 2.503 50 0 HFAAMO C[N@@H+](CCNC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1)Cc1ccccc1 ZINC000005141242 559251733 /nfs/dbraw/zinc/25/17/33/559251733.db2.gz RBYYVDQEZBTLSX-UHFFFAOYSA-N 1 1 404.514 2.985 50 0 HFAAMO COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](c1cccn1C)[NH+]1CCCC1 ZINC000011898323 559265447 /nfs/dbraw/zinc/26/54/47/559265447.db2.gz JCIPDMQBYRGNBT-QGZVFWFLSA-N 1 1 404.898 2.579 50 0 HFAAMO NC(=O)C[C@H](c1cccc(OC(F)F)c1)c1oc(C[NH+]2CCCCC2)cc(=O)c1O ZINC000252501541 559278014 /nfs/dbraw/zinc/27/80/14/559278014.db2.gz UHDRWYCWSHGTIG-MRXNPFEDSA-N 1 1 422.428 2.940 50 0 HFAAMO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@H+]2[C@]32c3ccccc3NC2=O)c(C)c1 ZINC000033912462 559292137 /nfs/dbraw/zinc/29/21/37/559292137.db2.gz QHPCWZAHQVUYBV-CMCWBKRRSA-N 1 1 401.466 2.735 50 0 biogenic HFAAMO COc1c2c(c(CNS(=O)(=O)c3ccc(Cl)cc3)c3c1C[N@@H+](C)CC3)OCO2 ZINC000008765063 560638461 /nfs/dbraw/zinc/63/84/61/560638461.db2.gz UKFXESRDKVLPHY-UHFFFAOYSA-N 1 1 424.906 2.544 50 0 biogenic HFAAMO CCCc1nnc(NC(=O)CCC(=O)N2CC[NH+](CCc3ccccc3)CC2)s1 ZINC000017209273 560704074 /nfs/dbraw/zinc/70/40/74/560704074.db2.gz SMTGCOMDZAPDIH-UHFFFAOYSA-N 1 1 415.563 2.596 50 0 HFAAMO CC[N@@H+](CCC1CCN(C(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1)CC1CC1 ZINC000101925954 560804787 /nfs/dbraw/zinc/80/47/87/560804787.db2.gz NOJRRNNJJAKIJB-SFTDATJTSA-N 1 1 417.594 2.912 50 0 HFAAMO CC1=NN(c2ccc(Cl)cc2)C(=O)[C@]12Cc1ccccc1N1CC[N@@H+](CCO)C[C@@H]12 ZINC000025184726 560891410 /nfs/dbraw/zinc/89/14/10/560891410.db2.gz CPEUUJRXMVVMRW-FYYLOGMGSA-N 1 1 424.932 2.788 50 0 HFAAMO O[C@H](CN1CC[NH+](CCOc2ccc(Cl)cc2)CC1)c1ccc2c(c1)OCO2 ZINC000048277461 568435665 /nfs/dbraw/zinc/43/56/65/568435665.db2.gz JBPFTUYFSOYIQL-LJQANCHMSA-N 1 1 404.894 2.799 50 0 HFAAMO Cc1csc2nc(C[NH+]3CCC(NC(=O)Nc4ccc(F)cc4)CC3)cc(=O)n12 ZINC000048342631 568440540 /nfs/dbraw/zinc/44/05/40/568440540.db2.gz BBKLEWMSOFEHDG-UHFFFAOYSA-N 1 1 415.494 2.990 50 0 HFAAMO Cc1ccc(S(=O)(=O)c2cnc(N3CC[NH+](C4CCCCC4)CC3)nc2N)cc1 ZINC000049007275 568444981 /nfs/dbraw/zinc/44/49/81/568444981.db2.gz UWMXVDLEZSZCEW-UHFFFAOYSA-N 1 1 415.563 2.655 50 0 HFAAMO O=C(CN1CC[NH+](CCOc2ccccc2)CC1)Nc1ccc(N2CCCC2)cc1 ZINC000022772284 568499440 /nfs/dbraw/zinc/49/94/40/568499440.db2.gz DDMZMKUYFNQRSQ-UHFFFAOYSA-N 1 1 408.546 2.922 50 0 HFAAMO CC[NH+]1CCN([C@H](c2cccs2)[C@@H](C)NC(=O)c2ccc3c(c2)OCO3)CC1 ZINC000020288092 568597521 /nfs/dbraw/zinc/59/75/21/568597521.db2.gz XVUWCRFDRLHWEL-QRWLVFNGSA-N 1 1 401.532 2.974 50 0 HFAAMO O=C(C[NH2+]Cc1ccccn1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000095351425 568600966 /nfs/dbraw/zinc/60/09/66/568600966.db2.gz YMUKAXXTYXKYOK-UHFFFAOYSA-N 1 1 422.938 2.638 50 0 HFAAMO COC(=O)[C@@]1(NCC(=O)N[C@H](C)c2cccs2)CCC[N@H+](Cc2ccccc2)C1 ZINC000095454697 568616257 /nfs/dbraw/zinc/61/62/57/568616257.db2.gz HDBZUMKBZHPWLL-VGOFRKELSA-N 1 1 415.559 2.723 50 0 HFAAMO COC(=O)[C@@]1(NCC(=O)N[C@H](C)c2cccs2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000095454697 568616262 /nfs/dbraw/zinc/61/62/62/568616262.db2.gz HDBZUMKBZHPWLL-VGOFRKELSA-N 1 1 415.559 2.723 50 0 HFAAMO CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)cc1 ZINC000040157550 568626761 /nfs/dbraw/zinc/62/67/61/568626761.db2.gz PLTNLHFUPTXMNR-UHFFFAOYSA-N 1 1 407.580 2.665 50 0 HFAAMO COc1ccc(-c2n[nH]c(C)c2CC(=O)N2CC[NH+](CCc3ccncc3)CC2)cc1 ZINC000095474215 568629155 /nfs/dbraw/zinc/62/91/55/568629155.db2.gz HFYJDNBPMMNHCA-UHFFFAOYSA-N 1 1 419.529 2.718 50 0 HFAAMO Cc1cccc(OCCNC(=O)C[N@H+](C)[C@H](CNC(=O)OC(C)(C)C)C2CC2)c1 ZINC000225408114 568634763 /nfs/dbraw/zinc/63/47/63/568634763.db2.gz MSTWLOHBKNQEAV-LJQANCHMSA-N 1 1 405.539 2.725 50 0 HFAAMO COc1ccc(N2C[C@@H](c3nc4ccccc4n3CC[NH+]3CCOCC3)CC2=O)cc1 ZINC000021171560 568676558 /nfs/dbraw/zinc/67/65/58/568676558.db2.gz UMWHCTQRVSAQPH-SFHVURJKSA-N 1 1 420.513 2.898 50 0 HFAAMO O=C1N[C@]2(CCOc3ccccc32)C(=O)N1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000225827293 568678575 /nfs/dbraw/zinc/67/85/75/568678575.db2.gz ZDWAIQFVARNWRI-DVECYGJZSA-N 1 1 421.497 2.507 50 0 HFAAMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(Br)nc1)c1cccc(F)c1 ZINC000225832812 568679172 /nfs/dbraw/zinc/67/91/72/568679172.db2.gz QHXCJVMKMBIUGZ-AWEZNQCLSA-N 1 1 402.289 2.564 50 0 HFAAMO Cc1ccc(-c2cc(C(=O)N(CCC(=O)N3CC[NH+](C)CC3)CC(C)C)no2)cc1 ZINC000096210392 568704411 /nfs/dbraw/zinc/70/44/11/568704411.db2.gz YLUKBOVISRAILJ-UHFFFAOYSA-N 1 1 412.534 2.912 50 0 HFAAMO CC[N@H+]1CCC[C@H]1CNC(=O)CSCc1nc(-c2ccc(OC)c(OC)c2)no1 ZINC000021529692 568710140 /nfs/dbraw/zinc/71/01/40/568710140.db2.gz WUIZDWKPUQBTOA-HNNXBMFYSA-N 1 1 420.535 2.588 50 0 HFAAMO CCOC(=O)C1=C(C[NH+]2C[C@H](C)C[C@@H](C)C2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000018708785 568738786 /nfs/dbraw/zinc/73/87/86/568738786.db2.gz LZBGTMPVXFKPEY-STXHMFSFSA-N 1 1 401.507 2.844 50 0 HFAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1nnn2c1c(=O)[nH]c1cc(F)ccc12 ZINC000096397695 568746325 /nfs/dbraw/zinc/74/63/25/568746325.db2.gz BVRYIOSIAWCSMC-CQSZACIVSA-N 1 1 400.458 2.507 50 0 HFAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1nnn2c1c(=O)[nH]c1cc(F)ccc12 ZINC000096397696 568746381 /nfs/dbraw/zinc/74/63/81/568746381.db2.gz BVRYIOSIAWCSMC-AWEZNQCLSA-N 1 1 400.458 2.507 50 0 HFAAMO CCCC[N@@H+](C)CCCNC(=O)COCc1cc(-c2ccc3c(c2)OCO3)on1 ZINC000021868235 568755866 /nfs/dbraw/zinc/75/58/66/568755866.db2.gz GFRMNPPNPXDVOT-UHFFFAOYSA-N 1 1 403.479 2.825 50 0 HFAAMO O=C(NC[C@@H]1CCCN(Cc2cnc(-c3ccc(Cl)cc3)nc2)C1)[C@@H]1CCC[NH2+]1 ZINC000097021070 568766460 /nfs/dbraw/zinc/76/64/60/568766460.db2.gz RPDGSOZTXCSYJL-JXFKEZNVSA-N 1 1 413.953 2.877 50 0 HFAAMO CCOc1ccc([C@H]2NC(=O)N=C(C[N@H+](C)Cc3ccccc3)C2C(=O)OC)cc1 ZINC000057415321 568833642 /nfs/dbraw/zinc/83/36/42/568833642.db2.gz BZBLISIJEGWCKW-OAQYLSRUSA-N 1 1 409.486 2.998 50 0 HFAAMO CCOc1ccc([C@H]2NC(=O)N=C(C[N@@H+](C)Cc3ccccc3)C2C(=O)OC)cc1 ZINC000057415321 568833644 /nfs/dbraw/zinc/83/36/44/568833644.db2.gz BZBLISIJEGWCKW-OAQYLSRUSA-N 1 1 409.486 2.998 50 0 HFAAMO C[N@H+](Cc1ccccc1N1CCOCC1)[C@H](C(=O)N1CCOCC1)c1ccccc1 ZINC000052781645 568839051 /nfs/dbraw/zinc/83/90/51/568839051.db2.gz RTWIRWHPUCWZBH-QHCPKHFHSA-N 1 1 409.530 2.555 50 0 HFAAMO C[N@@H+](Cc1ccccc1N1CCOCC1)[C@H](C(=O)N1CCOCC1)c1ccccc1 ZINC000052781645 568839052 /nfs/dbraw/zinc/83/90/52/568839052.db2.gz RTWIRWHPUCWZBH-QHCPKHFHSA-N 1 1 409.530 2.555 50 0 HFAAMO CN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CCC[N@@H+](C)CC2)ccc1Cl ZINC000003237301 568847728 /nfs/dbraw/zinc/84/77/28/568847728.db2.gz RYWAEEMWNUMPFJ-UHFFFAOYSA-N 1 1 421.950 2.943 50 0 HFAAMO CNC(=O)NC(=O)CC[N@H+]1CCc2cc(OC)c(OC)cc2[C@H]1c1cccs1 ZINC000029980267 568854460 /nfs/dbraw/zinc/85/44/60/568854460.db2.gz LWMPUIWCVSAVEB-IBGZPJMESA-N 1 1 403.504 2.559 50 0 HFAAMO Cc1sc2ncn(CCC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@@H]34)c(=O)c2c1C ZINC000230205736 568854984 /nfs/dbraw/zinc/85/49/84/568854984.db2.gz VIVLNZLLLPKUNC-IRXDYDNUSA-N 1 1 402.564 2.846 50 0 biogenic HFAAMO Cc1ccccc1[C@H]1CC[N@@H+](CCNC(=O)c2cn(Cc3ccc(F)cc3)nn2)C1 ZINC000012571662 568862163 /nfs/dbraw/zinc/86/21/63/568862163.db2.gz IHBAKBRDJQLABU-IBGZPJMESA-N 1 1 407.493 2.993 50 0 HFAAMO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000003213656 568862191 /nfs/dbraw/zinc/86/21/91/568862191.db2.gz ZOPZNBBJXXJODP-TZIWHRDSSA-N 1 1 413.543 2.693 50 0 HFAAMO Cc1cc(C)c(S(=O)(=O)N[C@H](C)C[N@@H+]2CCc3ccccc3C2)c2nonc21 ZINC000670434337 568869277 /nfs/dbraw/zinc/86/92/77/568869277.db2.gz ZMXKKHSRDKFNOL-OAHLLOKOSA-N 1 1 400.504 2.565 50 0 HFAAMO Cc1cc(C)c(S(=O)(=O)N[C@H](C)C[N@H+]2CCc3ccccc3C2)c2nonc21 ZINC000670434337 568869278 /nfs/dbraw/zinc/86/92/78/568869278.db2.gz ZMXKKHSRDKFNOL-OAHLLOKOSA-N 1 1 400.504 2.565 50 0 HFAAMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)c2ccc(OCc3ccccc3)cc2)CC1 ZINC000058156240 568893448 /nfs/dbraw/zinc/89/34/48/568893448.db2.gz DRJGHVYWSSFLLY-QFIPXVFZSA-N 1 1 407.514 2.820 50 0 HFAAMO COc1ccccc1C(=O)N[C@H](CCSC)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000004164335 568918531 /nfs/dbraw/zinc/91/85/31/568918531.db2.gz XZRGQPAYKFMQCE-IAGOWNOFSA-N 1 1 419.547 2.559 50 0 HFAAMO O=C(N[C@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3)c1conc1-c1ccccc1 ZINC000670459537 568945525 /nfs/dbraw/zinc/94/55/25/568945525.db2.gz DLGYBWPOZSQLMS-VMQIMYIWSA-N 1 1 414.509 2.639 50 0 HFAAMO C[N@@H+](CCNC(=O)[C@@H]1CCCN(c2nnc(-n3cccc3)s2)C1)C1CCCCC1 ZINC000015728147 568978850 /nfs/dbraw/zinc/97/88/50/568978850.db2.gz VFQSNZCNWHMHNZ-QGZVFWFLSA-N 1 1 416.595 2.926 50 0 HFAAMO O=C(CSc1nnc(-c2ccco2)o1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000012848232 569010206 /nfs/dbraw/zinc/01/02/06/569010206.db2.gz VYVRTNAPYRXYIS-UHFFFAOYSA-N 1 1 406.508 2.573 50 0 HFAAMO CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000016031644 569027952 /nfs/dbraw/zinc/02/79/52/569027952.db2.gz SSKZODUQLBCJAM-PDFGSZSQSA-N 1 1 415.493 2.528 50 0 HFAAMO CSCC[C@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)N[C@@H](C)c1ccccc1 ZINC000035349294 569033509 /nfs/dbraw/zinc/03/35/09/569033509.db2.gz ZVQSHPSNZNAYDP-NDXORKPFSA-N 1 1 411.571 2.816 50 0 HFAAMO C[N@@H+](CCNC(=O)c1ccc(CN2c3ccnn3CCC2=O)cc1)Cc1ccccc1 ZINC000035373745 569034225 /nfs/dbraw/zinc/03/42/25/569034225.db2.gz KWMGEJWRWPQNAC-UHFFFAOYSA-N 1 1 417.513 2.682 50 0 HFAAMO C[C@@H]1C[N@H+](CCCNC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc32)C[C@H](C)O1 ZINC000013007561 569049805 /nfs/dbraw/zinc/04/98/05/569049805.db2.gz IALFPIZALYMNLN-HDICACEKSA-N 1 1 420.513 2.615 50 0 HFAAMO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@H+](C)[C@H]2CCCc3ccccc32)C1=O ZINC000239475458 569054447 /nfs/dbraw/zinc/05/44/47/569054447.db2.gz AOMCVDDLOIGOSI-GBXCKJPGSA-N 1 1 420.513 2.884 50 0 HFAAMO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@@H+](C)[C@H]2CCCc3ccccc32)C1=O ZINC000239475458 569054448 /nfs/dbraw/zinc/05/44/48/569054448.db2.gz AOMCVDDLOIGOSI-GBXCKJPGSA-N 1 1 420.513 2.884 50 0 HFAAMO Cc1cccc(C)c1N1C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(c4ccccc4NC3=O)[C@H]2C1=O ZINC000247856611 569057592 /nfs/dbraw/zinc/05/75/92/569057592.db2.gz DANMZDFCDJOVND-IPRDPGLQSA-N 1 1 401.466 2.735 50 0 HFAAMO COCC[N@H+](Cc1ccc(OC)c(OC)c1)C[C@@H](O)COc1ccc(OC)cc1 ZINC000036095698 569089978 /nfs/dbraw/zinc/08/99/78/569089978.db2.gz DLHXQSMJOAKFOS-GOSISDBHSA-N 1 1 405.491 2.601 50 0 HFAAMO CC[NH+]1CCN(C(=O)c2cccc(Nc3nc4ccccc4n4cnnc34)c2)CC1 ZINC000006786417 569121373 /nfs/dbraw/zinc/12/13/73/569121373.db2.gz MUTORSJSEUSFQC-UHFFFAOYSA-N 1 1 401.474 2.799 50 0 HFAAMO Cc1nc(C)c(Cc2ccccc2F)c(N2CC[NH+](C[C@H](O)COC(C)C)CC2)n1 ZINC000036340362 569141605 /nfs/dbraw/zinc/14/16/05/569141605.db2.gz ZKFGEAXPYIOIPC-FQEVSTJZSA-N 1 1 416.541 2.731 50 0 HFAAMO CCc1nc2cc(N3CCC[C@H](C(=O)N4CCC[N@@H+](C)CC4)C3)cnc2nc1CC ZINC000065227286 569200213 /nfs/dbraw/zinc/20/02/13/569200213.db2.gz HFECFXCNSARIMQ-KRWDZBQOSA-N 1 1 410.566 2.530 50 0 HFAAMO CC[C@]1([NH+]2CCN(C(=O)Nc3cc(Cl)ccc3OC)CC2)CCN(C(=O)NC)C1 ZINC000065292069 569217690 /nfs/dbraw/zinc/21/76/90/569217690.db2.gz HXVXFTYTQBENJR-FQEVSTJZSA-N 1 1 423.945 2.692 50 0 HFAAMO O=C(CCn1cc(Br)ccc1=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000065552448 569235167 /nfs/dbraw/zinc/23/51/67/569235167.db2.gz XXEBPANIJFCAFO-UHFFFAOYSA-N 1 1 418.335 2.566 50 0 HFAAMO O=C(CN[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)Nc1ccc(N2CCCC2)cc1 ZINC000170607324 569244509 /nfs/dbraw/zinc/24/45/09/569244509.db2.gz DXRXGRWYXJHXMC-URXFXBBRSA-N 1 1 422.573 2.698 50 0 HFAAMO O=C(C[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1CO)Nc1ccc(N2CCCC2)cc1 ZINC000170607324 569244511 /nfs/dbraw/zinc/24/45/11/569244511.db2.gz DXRXGRWYXJHXMC-URXFXBBRSA-N 1 1 422.573 2.698 50 0 HFAAMO O=C(CN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)Nc1ccc(N2CCCC2)cc1 ZINC000170607325 569244573 /nfs/dbraw/zinc/24/45/73/569244573.db2.gz DXRXGRWYXJHXMC-XUZZJYLKSA-N 1 1 422.573 2.698 50 0 HFAAMO O=C(C[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1CO)Nc1ccc(N2CCCC2)cc1 ZINC000170607325 569244575 /nfs/dbraw/zinc/24/45/75/569244575.db2.gz DXRXGRWYXJHXMC-XUZZJYLKSA-N 1 1 422.573 2.698 50 0 HFAAMO COc1ccc(S(=O)(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CCN(C)CC2)cc1 ZINC000170690739 569298507 /nfs/dbraw/zinc/29/85/07/569298507.db2.gz LWLUWIFGSNECBT-RTWAWAEBSA-N 1 1 409.596 2.653 50 0 HFAAMO COc1ccc(S(=O)(=O)N(C)[C@H]2CCCC[C@H]2N(C)C2CC[NH+](C)CC2)cc1 ZINC000170690739 569298508 /nfs/dbraw/zinc/29/85/08/569298508.db2.gz LWLUWIFGSNECBT-RTWAWAEBSA-N 1 1 409.596 2.653 50 0 HFAAMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CN(C)CC(=O)Nc2cccc(F)c2)CC1 ZINC000007730967 569304462 /nfs/dbraw/zinc/30/44/62/569304462.db2.gz OWENRLWFCWPMLZ-GOSISDBHSA-N 1 1 412.509 2.601 50 0 HFAAMO CN1CC[N@@H+](CCCNC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)[C@@H](c2ccccc2)C1 ZINC000030000723 569357836 /nfs/dbraw/zinc/35/78/36/569357836.db2.gz BLKBCYNOKZLOQH-JTHBVZDNSA-N 1 1 420.557 2.535 50 0 HFAAMO C[N@@H+]1CCN(CCCNC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)[C@@H](c2ccccc2)C1 ZINC000030000723 569357837 /nfs/dbraw/zinc/35/78/37/569357837.db2.gz BLKBCYNOKZLOQH-JTHBVZDNSA-N 1 1 420.557 2.535 50 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2.671 50 0 HFAAMO CCN1CCN(CC(=O)N2CC[C@]3(C2)CCC[N@H+](CCC2CCCCC2)C3)CC1 ZINC000020905505 558420643 /nfs/dbraw/zinc/42/06/43/558420643.db2.gz MXHAZGSWMSFJMZ-XMMPIXPASA-N 1 1 404.643 2.909 50 0 HFAAMO CCN1CCN(CC(=O)N2CC[C@]3(C2)CCC[N@@H+](CCC2CCCCC2)C3)CC1 ZINC000020905505 558420646 /nfs/dbraw/zinc/42/06/46/558420646.db2.gz MXHAZGSWMSFJMZ-XMMPIXPASA-N 1 1 404.643 2.909 50 0 HFAAMO CCN(CCO)C(=O)C1CC[NH+](C2CCN(CCCc3ccccc3)CC2)CC1 ZINC000012702126 558448108 /nfs/dbraw/zinc/44/81/08/558448108.db2.gz BIUMSNCEMSXADV-UHFFFAOYSA-N 1 1 401.595 2.636 50 0 HFAAMO CCN(CCO)C(=O)C1CCN(C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000012702126 558448109 /nfs/dbraw/zinc/44/81/09/558448109.db2.gz BIUMSNCEMSXADV-UHFFFAOYSA-N 1 1 401.595 2.636 50 0 HFAAMO COc1ccc(CC[N@@H+](C)[C@@H]2CCCN(C(=O)CCN3CCCCO3)C2)cc1OC ZINC000012707757 558450570 /nfs/dbraw/zinc/45/05/70/558450570.db2.gz IYCZMDLABLHGKA-HXUWFJFHSA-N 1 1 419.566 2.587 50 0 HFAAMO COc1ccccc1N1CCN([C@@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000021822047 558451127 /nfs/dbraw/zinc/45/11/27/558451127.db2.gz BIQZMJOUJYUZCH-NRFANRHFSA-N 1 1 422.573 2.550 50 0 HFAAMO CCn1c(C[N@@H+]2C[C@H](C)C[C@H](C)C2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000013056196 558508261 /nfs/dbraw/zinc/50/82/61/558508261.db2.gz OLXJJNFQPILXJX-CALCHBBNSA-N 1 1 420.579 2.555 50 0 HFAAMO CCN1CCN(C[C@@H](O)COc2cccc(C[NH2+]Cc3ccc(C)s3)c2)CC1 ZINC000022851336 558516832 /nfs/dbraw/zinc/51/68/32/558516832.db2.gz UWPAJAQAMJEPGR-HXUWFJFHSA-N 1 1 403.592 2.724 50 0 HFAAMO Cc1occc1C(=O)N1CCC[C@@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000022852461 558517175 /nfs/dbraw/zinc/51/71/75/558517175.db2.gz AJJZGFDEARQKFQ-LJQANCHMSA-N 1 1 411.502 2.739 50 0 HFAAMO O[C@@H](Cn1c2ccccc2c2ccccc21)CN1CCN(CC[NH+]2CCCC2)CC1 ZINC000022924304 558522811 /nfs/dbraw/zinc/52/28/11/558522811.db2.gz TVCBOHHHOZCCSR-OAQYLSRUSA-N 1 1 406.574 2.869 50 0 HFAAMO CCC(CC)[C@H](CNC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1)[NH+]1CCOCC1 ZINC000023024361 558530821 /nfs/dbraw/zinc/53/08/21/558530821.db2.gz ZJYGYKWRXLUCLI-OALUTQOASA-N 1 1 421.607 2.854 50 0 HFAAMO CCOC(=O)c1sc(NC(=O)CN2CC[NH+](Cc3ccccc3C)CC2)nc1C ZINC000023095845 558534030 /nfs/dbraw/zinc/53/40/30/558534030.db2.gz DRXLOOOHUUOTHI-UHFFFAOYSA-N 1 1 416.547 2.693 50 0 HFAAMO O=C([C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000023129759 558536993 /nfs/dbraw/zinc/53/69/93/558536993.db2.gz PNBQJJNICRHBOJ-LJQANCHMSA-N 1 1 421.497 2.503 50 0 HFAAMO CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCCC[NH+]1CCOCC1 ZINC000023238786 558544841 /nfs/dbraw/zinc/54/48/41/558544841.db2.gz IKSRGYVTTCZNFL-QGZVFWFLSA-N 1 1 416.349 2.586 50 0 HFAAMO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)CN1CCN(CC)CC1 ZINC000023374616 558553989 /nfs/dbraw/zinc/55/39/89/558553989.db2.gz DRVRPSRYLCFQJZ-JOCHJYFZSA-N 1 1 418.601 2.566 50 0 HFAAMO CCN(C[C@@H]1CCC[N@@H+](CCc2cccc(F)c2)C1)C(=O)CN1CCN(CC)CC1 ZINC000023374616 558553992 /nfs/dbraw/zinc/55/39/92/558553992.db2.gz DRVRPSRYLCFQJZ-JOCHJYFZSA-N 1 1 418.601 2.566 50 0 HFAAMO CCN1CCN(C[C@H](O)COc2cccc(C[NH2+]CCc3ccccc3F)c2)CC1 ZINC000023375314 558554994 /nfs/dbraw/zinc/55/49/94/558554994.db2.gz KEFYBFXZWINWRX-QFIPXVFZSA-N 1 1 415.553 2.535 50 0 HFAAMO COc1ccc(OCC[N@@H+](C)[C@@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000023717709 558570109 /nfs/dbraw/zinc/57/01/09/558570109.db2.gz VKBUSOHLAWOUEA-FQEVSTJZSA-N 1 1 411.546 2.739 50 0 HFAAMO C[NH+]1CCN(C(=O)COc2ccc3cc(-c4cc(F)cc(F)c4)c(=O)oc3c2)CC1 ZINC000013688645 558571104 /nfs/dbraw/zinc/57/11/04/558571104.db2.gz UAPMWXXSYSQLOS-UHFFFAOYSA-N 1 1 414.408 2.891 50 0 HFAAMO C[NH+](C)[C@@H](CNC(=O)CCn1cnc2sccc2c1=O)c1ccccc1Cl ZINC000024832917 558615495 /nfs/dbraw/zinc/61/54/95/558615495.db2.gz RMDSJZHMCMXTPC-INIZCTEOSA-N 1 1 404.923 2.921 50 0 HFAAMO C[C@H](OC(=O)COc1ccc(Cl)cc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000025265703 558636112 /nfs/dbraw/zinc/63/61/12/558636112.db2.gz YZQKURZMYWNGFJ-KRWDZBQOSA-N 1 1 416.905 2.995 50 0 HFAAMO CCOC(=O)[C@@]1(CCOC)CCC[N@@H+](Cc2ccc(OC)c(Cn3cncn3)c2)C1 ZINC000014956295 558682534 /nfs/dbraw/zinc/68/25/34/558682534.db2.gz FODVKBUECMNSQD-JOCHJYFZSA-N 1 1 416.522 2.517 50 0 HFAAMO CCn1nc(C)c(C[N@H+]2CCC[C@@H](CNS(=O)(=O)c3ccc(OC)cc3)C2)c1C ZINC000014969053 558686888 /nfs/dbraw/zinc/68/68/88/558686888.db2.gz BKTMITNMUDLVPR-SFHVURJKSA-N 1 1 420.579 2.719 50 0 HFAAMO CCCNC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000014981501 558691911 /nfs/dbraw/zinc/69/19/11/558691911.db2.gz AJFLZBNZERNNHB-HXUWFJFHSA-N 1 1 400.567 2.641 50 0 HFAAMO CCCNC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000014981503 558691926 /nfs/dbraw/zinc/69/19/26/558691926.db2.gz AJFLZBNZERNNHB-FQEVSTJZSA-N 1 1 400.567 2.641 50 0 HFAAMO COC(=O)c1ccc(C[N@H+]2CC[C@H]3[C@H](CCCN3C(=O)c3cc(C)n(C)n3)C2)cc1 ZINC000014981966 558692104 /nfs/dbraw/zinc/69/21/04/558692104.db2.gz KZBZDYJBQYWWPS-CTNGQTDRSA-N 1 1 410.518 2.642 50 0 HFAAMO Cc1ccc(C(=O)NCCc2nnc3n2CC[N@H+](Cc2ccc(F)cc2)CC3)cc1 ZINC000014994627 558695803 /nfs/dbraw/zinc/69/58/03/558695803.db2.gz XQNJENQCSLVQOD-UHFFFAOYSA-N 1 1 407.493 2.756 50 0 HFAAMO CCC[NH+]1CCN(C(=O)c2c(=O)cc(C)n(CCc3ccccc3OC)c2C)CC1 ZINC000015002203 558698165 /nfs/dbraw/zinc/69/81/65/558698165.db2.gz IEESKRAKKHWQCW-UHFFFAOYSA-N 1 1 411.546 2.884 50 0 HFAAMO C[N@H+](Cc1cc(C2CC2)n[nH]1)C[C@@]1(O)CCCN(Cc2cccc(F)c2F)C1=O ZINC000015062141 558705127 /nfs/dbraw/zinc/70/51/27/558705127.db2.gz DUUNTZNUSCFNAS-NRFANRHFSA-N 1 1 404.461 2.551 50 0 HFAAMO C[N@@H+](Cc1cc(C2CC2)n[nH]1)C[C@@]1(O)CCCN(Cc2cccc(F)c2F)C1=O ZINC000015062141 558705130 /nfs/dbraw/zinc/70/51/30/558705130.db2.gz DUUNTZNUSCFNAS-NRFANRHFSA-N 1 1 404.461 2.551 50 0 HFAAMO CCN(C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1)C(=O)CCN1CCCO1 ZINC000015075220 558715874 /nfs/dbraw/zinc/71/58/74/558715874.db2.gz NUFGJAHGNDZUQZ-OAQYLSRUSA-N 1 1 403.567 2.826 50 0 HFAAMO COCCN(C)C(=O)C1CC[NH+](C2CCN(CCCc3ccccc3)CC2)CC1 ZINC000015075831 558716419 /nfs/dbraw/zinc/71/64/19/558716419.db2.gz VOBYPGMFMJGWHW-UHFFFAOYSA-N 1 1 401.595 2.900 50 0 HFAAMO COCCN(C)C(=O)C1CCN(C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000015075831 558716421 /nfs/dbraw/zinc/71/64/21/558716421.db2.gz VOBYPGMFMJGWHW-UHFFFAOYSA-N 1 1 401.595 2.900 50 0 HFAAMO NC(=O)c1ccc(NC(=O)C2CC[NH+](Cc3nc(-c4ccccc4)no3)CC2)cc1 ZINC000030955502 558747244 /nfs/dbraw/zinc/74/72/44/558747244.db2.gz ZMXPLUWGTBIDMI-UHFFFAOYSA-N 1 1 405.458 2.686 50 0 HFAAMO CC(C)c1cc(N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)nc(N(C)C)[nH+]1 ZINC000072301778 558751898 /nfs/dbraw/zinc/75/18/98/558751898.db2.gz IZCAUYJJMVMFKF-UHFFFAOYSA-N 1 1 400.502 2.566 50 0 HFAAMO CCc1ccccc1N(CC(=O)N1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C)cc1 ZINC000019800179 558777503 /nfs/dbraw/zinc/77/75/03/558777503.db2.gz SZPSILJRWVDORR-UHFFFAOYSA-N 1 1 415.559 2.527 50 0 HFAAMO COc1cc(C[N@@H+]2CCN(Cc3cc(C(C)C)n[nH]3)C[C@H]2CCO)cc(OC)c1 ZINC000039398974 558820809 /nfs/dbraw/zinc/82/08/09/558820809.db2.gz AGGBGYLNJLAMJT-LJQANCHMSA-N 1 1 402.539 2.619 50 0 HFAAMO COc1cc(C[N@H+]2CCN(Cc3cc(C(C)C)n[nH]3)C[C@H]2CCO)cc(OC)c1 ZINC000039398974 558820812 /nfs/dbraw/zinc/82/08/12/558820812.db2.gz AGGBGYLNJLAMJT-LJQANCHMSA-N 1 1 402.539 2.619 50 0 HFAAMO CCc1ccc(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@@H]2[NH2+]CCC2=CCCCC2)cc1 ZINC000055408858 558881022 /nfs/dbraw/zinc/88/10/22/558881022.db2.gz KEZCRCISUVKQPR-VQTJNVASSA-N 1 1 411.589 2.668 50 0 HFAAMO CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)C1 ZINC000058156938 558903103 /nfs/dbraw/zinc/90/31/03/558903103.db2.gz MFQWHQABPSIYAD-QGZVFWFLSA-N 1 1 411.550 2.956 50 0 HFAAMO CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)C1 ZINC000058156938 558903104 /nfs/dbraw/zinc/90/31/04/558903104.db2.gz MFQWHQABPSIYAD-QGZVFWFLSA-N 1 1 411.550 2.956 50 0 HFAAMO O=C(NC1CC1)[C@@H]1CCC[N@H+](C2CCN(C(=O)c3cc(-c4ccccc4)n[nH]3)CC2)C1 ZINC000071751981 558909320 /nfs/dbraw/zinc/90/93/20/558909320.db2.gz JWOOQOYSOCVGAL-GOSISDBHSA-N 1 1 421.545 2.672 50 0 HFAAMO O=C(NC1CC1)[C@@H]1CCC[N@@H+](C2CCN(C(=O)c3cc(-c4ccccc4)[nH]n3)CC2)C1 ZINC000071751981 558909322 /nfs/dbraw/zinc/90/93/22/558909322.db2.gz JWOOQOYSOCVGAL-GOSISDBHSA-N 1 1 421.545 2.672 50 0 HFAAMO O=C(NC1CC1)[C@@H]1CCC[N@H+](C2CCN(C(=O)c3cc(-c4ccccc4)[nH]n3)CC2)C1 ZINC000071751981 558909324 /nfs/dbraw/zinc/90/93/24/558909324.db2.gz JWOOQOYSOCVGAL-GOSISDBHSA-N 1 1 421.545 2.672 50 0 HFAAMO Cc1cc(C)c(NC(=O)CNC(=O)CN2CC[NH+](Cc3cccs3)CC2)c(C)c1 ZINC000019540344 558914147 /nfs/dbraw/zinc/91/41/47/558914147.db2.gz ZGCSBYWFZKVLSS-UHFFFAOYSA-N 1 1 414.575 2.546 50 0 HFAAMO O=C(C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1)Nc1cccnc1 ZINC000058306359 558918196 /nfs/dbraw/zinc/91/81/96/558918196.db2.gz SJVINNAMWRBIQH-CYBMUJFWSA-N 1 1 418.295 2.528 50 0 HFAAMO O=C(C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1)Nc1cccnc1 ZINC000058306359 558918198 /nfs/dbraw/zinc/91/81/98/558918198.db2.gz SJVINNAMWRBIQH-CYBMUJFWSA-N 1 1 418.295 2.528 50 0 HFAAMO COc1ccccc1CNC(=O)[C@@H](C)[N@H+]1CCCN(c2nc3ccccc3[nH]2)CC1 ZINC000058367641 558922385 /nfs/dbraw/zinc/92/23/85/558922385.db2.gz AUVCCQFGUDFLMY-QGZVFWFLSA-N 1 1 407.518 2.789 50 0 HFAAMO Cc1ccc(C(=O)N2CCC3(CN(CCC[N@H+](C)CC(C)C)C(=O)O3)CC2)cn1 ZINC000072431708 558979456 /nfs/dbraw/zinc/97/94/56/558979456.db2.gz QFILQROCWHRGPL-UHFFFAOYSA-N 1 1 402.539 2.795 50 0 HFAAMO CCOc1ccccc1CN1CC[N@H+](Cc2cccc(OCCO)c2)C[C@@H]1CCO ZINC000077002470 558999120 /nfs/dbraw/zinc/99/91/20/558999120.db2.gz FDSIPWSRTHPFSR-QFIPXVFZSA-N 1 1 414.546 2.525 50 0 HFAAMO CCOc1ccccc1CN1CC[N@@H+](Cc2cccc(OCCO)c2)C[C@@H]1CCO ZINC000077002470 558999121 /nfs/dbraw/zinc/99/91/21/558999121.db2.gz FDSIPWSRTHPFSR-QFIPXVFZSA-N 1 1 414.546 2.525 50 0 HFAAMO CCOc1ccccc1C[N@@H+]1CCN(Cc2cccc(OCCO)c2)C[C@@H]1CCO ZINC000077002470 558999123 /nfs/dbraw/zinc/99/91/23/558999123.db2.gz FDSIPWSRTHPFSR-QFIPXVFZSA-N 1 1 414.546 2.525 50 0 HFAAMO CCOc1ccccc1C[N@H+]1CCN(Cc2cccc(OCCO)c2)C[C@@H]1CCO ZINC000077002470 558999126 /nfs/dbraw/zinc/99/91/26/558999126.db2.gz FDSIPWSRTHPFSR-QFIPXVFZSA-N 1 1 414.546 2.525 50 0 HFAAMO Cc1nccc(N2CCC([N@H+]3CCC[C@H](C(=O)NCCc4ccccc4)C3)CC2)n1 ZINC000082120652 559039391 /nfs/dbraw/zinc/03/93/91/559039391.db2.gz LKKGPAIQGWZPMV-NRFANRHFSA-N 1 1 407.562 2.825 50 0 HFAAMO O=C([C@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1)N1CCn2cccc2C1 ZINC000082157666 559041557 /nfs/dbraw/zinc/04/15/57/559041557.db2.gz UEXHOTPVPVOPKC-NRFANRHFSA-N 1 1 407.562 2.602 50 0 HFAAMO O=S(=O)(c1ccccc1Cl)N1CCN(c2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC000082230360 559042594 /nfs/dbraw/zinc/04/25/94/559042594.db2.gz TXPZYKXQXOSSIM-UHFFFAOYSA-N 1 1 421.954 2.631 50 0 HFAAMO COCC(C)(C)NC(=O)[C@H]1CCC[N@@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC000091382196 559071447 /nfs/dbraw/zinc/07/14/47/559071447.db2.gz DSIDNXFBGJUNJJ-NRFANRHFSA-N 1 1 413.606 2.871 50 0 HFAAMO COCC(C)(C)NC(=O)[C@H]1CCC[N@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC000091382196 559071449 /nfs/dbraw/zinc/07/14/49/559071449.db2.gz DSIDNXFBGJUNJJ-NRFANRHFSA-N 1 1 413.606 2.871 50 0 HFAAMO O=C(NCc1ccon1)[C@H]1CCC[N@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000091625542 559072436 /nfs/dbraw/zinc/07/24/36/559072436.db2.gz FWQZRJQEISYZRS-INIZCTEOSA-N 1 1 409.490 2.813 50 0 HFAAMO O=C(NCc1ncc[nH]1)[C@H]1CCC[N@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000091988493 559074976 /nfs/dbraw/zinc/07/49/76/559074976.db2.gz HHUIWJPZJWBAJZ-INIZCTEOSA-N 1 1 408.506 2.548 50 0 HFAAMO COCC(=O)N1CCc2nc[nH]c2C12CC[NH+](CC[C@H](C)c1ccc(C)o1)CC2 ZINC000095498902 559081923 /nfs/dbraw/zinc/08/19/23/559081923.db2.gz SPRYSVHIFDUCFH-INIZCTEOSA-N 1 1 400.523 2.827 50 0 HFAAMO Cc1nn([C@H](C)C(=O)NCCC[N@@H+](C)C2CCCCC2)c(=O)c2cc3occc3n21 ZINC000005149580 559253293 /nfs/dbraw/zinc/25/32/93/559253293.db2.gz NYXKTZKFGLPIOE-OAHLLOKOSA-N 1 1 413.522 2.882 50 0 HFAAMO COCCCN(C[C@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)CN1Cc2ccccc2C1=O ZINC000583647561 560778838 /nfs/dbraw/zinc/77/88/38/560778838.db2.gz KBJJUMVTEAILRL-IRLDBZIGSA-N 1 1 413.562 2.772 50 0 biogenic HFAAMO Cc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(C(=O)Nc4ccccc4O)CC3)C2=O)c(C)c1 ZINC000101490855 560795900 /nfs/dbraw/zinc/79/59/00/560795900.db2.gz XZNLTPNQKJLAKU-HXUWFJFHSA-N 1 1 421.497 2.992 50 0 HFAAMO Cc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000106535317 560892203 /nfs/dbraw/zinc/89/22/03/560892203.db2.gz QAJZBSFVLUGAKL-FXKZBUDASA-N 1 1 405.429 2.565 50 0 HFAAMO COc1ccc(-c2nnn(C3CC[NH+](CC(=O)Nc4ccccc4)CC3)n2)cc1OC ZINC000004477316 560897031 /nfs/dbraw/zinc/89/70/31/560897031.db2.gz CGXBWSGHLWGSAE-UHFFFAOYSA-N 1 1 422.489 2.633 50 0 HFAAMO O=S(=O)(NCCC[N@H+]1CCc2ccccc2C1)c1ccc2c(c1)OCCCO2 ZINC000048324103 568438053 /nfs/dbraw/zinc/43/80/53/568438053.db2.gz SLBMSSJMEDEOJH-UHFFFAOYSA-N 1 1 402.516 2.575 50 0 HFAAMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000048325964 568438850 /nfs/dbraw/zinc/43/88/50/568438850.db2.gz CRDNOLRBJKWPSQ-ICSRJNTNSA-N 1 1 407.580 2.611 50 0 HFAAMO COc1ccc(CC(=O)N[C@@H](C)[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc1OC ZINC000020287834 568597206 /nfs/dbraw/zinc/59/72/06/568597206.db2.gz UVYUTUBYUCIFBP-AOMKIAJQSA-N 1 1 417.575 2.801 50 0 HFAAMO COc1ccc(CC(=O)N[C@@H](C)[C@@H](c2cccs2)[NH+]2CCN(C)CC2)cc1OC ZINC000020287834 568597209 /nfs/dbraw/zinc/59/72/09/568597209.db2.gz UVYUTUBYUCIFBP-AOMKIAJQSA-N 1 1 417.575 2.801 50 0 HFAAMO CC[C@H](C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000020761115 568642222 /nfs/dbraw/zinc/64/22/22/568642222.db2.gz LSADHWHCJVSXOO-MMKMLUHNSA-N 1 1 421.607 2.760 50 0 biogenic HFAAMO CCOC(=O)CCNC(=O)NCc1c2c(sc1-n1cccc1)C[N@H+](CC)CC2 ZINC000020860269 568645916 /nfs/dbraw/zinc/64/59/16/568645916.db2.gz KXCQYGPOUULXJL-UHFFFAOYSA-N 1 1 404.536 2.669 50 0 HFAAMO CS(=O)(=O)Nc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000096000082 568680875 /nfs/dbraw/zinc/68/08/75/568680875.db2.gz XREJUWSEYXXXLM-OAHLLOKOSA-N 1 1 400.508 2.551 50 0 HFAAMO COC(=O)C1=C(C)C=C([NH+]2CCOCC2)[C@H](C(=O)OC)[C@H]1c1ccc(Cl)cc1 ZINC000012402744 568710314 /nfs/dbraw/zinc/71/03/14/568710314.db2.gz RNBGLWZBJRVNBX-OALUTQOASA-N 1 1 405.878 2.932 50 0 HFAAMO Cc1noc2ncnc(N3CCC[C@H](C(=O)NCCC[N@H+](C)C4CCCCC4)C3)c12 ZINC000021533190 568711473 /nfs/dbraw/zinc/71/14/73/568711473.db2.gz YBZVZCHUVXHSQX-KRWDZBQOSA-N 1 1 414.554 2.913 50 0 HFAAMO CC[NH+]1CCN(c2nnc(-n3cccc3C(=O)Nc3cccc(F)c3)s2)CC1 ZINC000021535345 568711738 /nfs/dbraw/zinc/71/17/38/568711738.db2.gz IOIDCGGXUWXSMV-UHFFFAOYSA-N 1 1 400.483 2.862 50 0 HFAAMO CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1c[nH]c2ccccc21 ZINC000242273513 568732620 /nfs/dbraw/zinc/73/26/20/568732620.db2.gz YDHFYGCTNRIZIG-HNAYVOBHSA-N 1 1 402.564 2.920 50 0 HFAAMO CC(=O)N1c2ccc(S(=O)(=O)NC[C@@H](c3ccccc3)[NH+](C)C)cc2C[C@@H]1C ZINC000097023849 568766298 /nfs/dbraw/zinc/76/62/98/568766298.db2.gz NWNJMIPSVQMULM-BTYIYWSLSA-N 1 1 401.532 2.565 50 0 HFAAMO O=C(C[NH+]1CCC(C(=O)N2CCCCCC2)CC1)NCCOc1ccc(Cl)cc1 ZINC000029193014 568822405 /nfs/dbraw/zinc/82/24/05/568822405.db2.gz XAXBXTFSRMAEMP-UHFFFAOYSA-N 1 1 421.969 2.950 50 0 HFAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)C[C@H](C(=O)N1CCc2ccccc21)n1ccnc1 ZINC000230080390 568833965 /nfs/dbraw/zinc/83/39/65/568833965.db2.gz SRVJADBFRDIZBM-DENIHFKCSA-N 1 1 423.561 2.784 50 0 HFAAMO O=C(NC[C@@H]([C@@H]1CCOC1)[NH+]1CCOCC1)Nc1ccccc1N1CCCCCC1 ZINC000057914592 568867639 /nfs/dbraw/zinc/86/76/39/568867639.db2.gz UDKKHCUXBMLPTI-KNQAVFIVSA-N 1 1 416.566 2.926 50 0 HFAAMO Cc1csc(C[NH+]2CCC(N3C[C@H](COc4ccc(F)cc4)OCC3=O)CC2)n1 ZINC000299798053 568876491 /nfs/dbraw/zinc/87/64/91/568876491.db2.gz QTGOHCCCTMVCBJ-LJQANCHMSA-N 1 1 419.522 2.861 50 0 HFAAMO CCc1ccc([C@H](CNS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)[NH+](C)C)cc1 ZINC000015330163 568877102 /nfs/dbraw/zinc/87/71/02/568877102.db2.gz ZTTMJXFYHWXEDL-QFIPXVFZSA-N 1 1 415.559 2.739 50 0 HFAAMO CC[NH+]1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)CC1 ZINC000003306873 568877611 /nfs/dbraw/zinc/87/76/11/568877611.db2.gz XJDZWXGFEJSLHB-UHFFFAOYSA-N 1 1 413.971 2.682 50 0 HFAAMO O=C(N[C@@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3)c1ccc2scnc2c1 ZINC000670442968 568902556 /nfs/dbraw/zinc/90/25/56/568902556.db2.gz DSKWDYCWDBTXDZ-VSZUSUSQSA-N 1 1 404.539 2.594 50 0 HFAAMO Cc1ccccc1C[N@H+]1CCCN(C(=O)c2ccc(CS(C)(=O)=O)cc2)CC1 ZINC000031766604 568930739 /nfs/dbraw/zinc/93/07/39/568930739.db2.gz BGWNETAHXGUEKX-UHFFFAOYSA-N 1 1 400.544 2.888 50 0 HFAAMO C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000012745246 568931267 /nfs/dbraw/zinc/93/12/67/568931267.db2.gz GBTCXGJVIVZNQQ-CQSZACIVSA-N 1 1 407.474 2.534 50 0 HFAAMO O=C(N[C@@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3)c1conc1-c1ccccc1 ZINC000670459536 568945534 /nfs/dbraw/zinc/94/55/34/568945534.db2.gz DLGYBWPOZSQLMS-UXVFNKRRSA-N 1 1 414.509 2.639 50 0 HFAAMO Cc1cccc(C)c1N1C(=O)C[C@@H]([NH+]2CCC(C(=O)Nc3ccccc3O)CC2)C1=O ZINC000012763873 568947107 /nfs/dbraw/zinc/94/71/07/568947107.db2.gz IZPRYUVHNFQSTD-LJQANCHMSA-N 1 1 421.497 2.992 50 0 HFAAMO C[N@@H+](CCCNC(=O)c1ccc2c(c1)nc1n(c2=O)CCCC1)Cc1ccccc1 ZINC000015677458 568964967 /nfs/dbraw/zinc/96/49/67/568964967.db2.gz BODBTYMKYNRJFE-UHFFFAOYSA-N 1 1 404.514 2.985 50 0 HFAAMO O=C(C[N@H+]1CC[C@H]2CCCC[C@@H]2C1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000008192829 568981722 /nfs/dbraw/zinc/98/17/22/568981722.db2.gz ZNJMMAHBSBVGRR-QZTJIDSGSA-N 1 1 405.564 2.922 50 0 HFAAMO Cc1cccc(CN2CC[N@H+](Cc3c[nH]nc3-c3ccc(F)cc3)C[C@H]2CCO)n1 ZINC000104528174 569009063 /nfs/dbraw/zinc/00/90/63/569009063.db2.gz WKVRTPUWSIMDJP-JOCHJYFZSA-N 1 1 409.509 2.988 50 0 HFAAMO Cc1cccc(CN2CC[N@@H+](Cc3c[nH]nc3-c3ccc(F)cc3)C[C@H]2CCO)n1 ZINC000104528174 569009064 /nfs/dbraw/zinc/00/90/64/569009064.db2.gz WKVRTPUWSIMDJP-JOCHJYFZSA-N 1 1 409.509 2.988 50 0 HFAAMO Cc1cccc(C[N@@H+]2CCN(Cc3c[nH]nc3-c3ccc(F)cc3)C[C@H]2CCO)n1 ZINC000104528174 569009065 /nfs/dbraw/zinc/00/90/65/569009065.db2.gz WKVRTPUWSIMDJP-JOCHJYFZSA-N 1 1 409.509 2.988 50 0 HFAAMO Cc1cccc(C[N@H+]2CCN(Cc3c[nH]nc3-c3ccc(F)cc3)C[C@H]2CCO)n1 ZINC000104528174 569009066 /nfs/dbraw/zinc/00/90/66/569009066.db2.gz WKVRTPUWSIMDJP-JOCHJYFZSA-N 1 1 409.509 2.988 50 0 HFAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)CCCn1c2ccccc2c2cnn(C)c(=O)c21 ZINC000035372389 569033849 /nfs/dbraw/zinc/03/38/49/569033849.db2.gz RDKWUPXFVLLDBR-QGZVFWFLSA-N 1 1 409.534 2.659 50 0 HFAAMO O=C1CSc2sc3c(ncn(C[C@H](c4ccco4)[NH+]4CCCC4)c3=O)c2N1 ZINC000035671666 569048502 /nfs/dbraw/zinc/04/85/02/569048502.db2.gz BDTIVUJGJAEAQR-LLVKDONJSA-N 1 1 402.501 2.932 50 0 HFAAMO O=S(=O)(CC1CC1)c1ncc(CN2CC[N@H+]3CCC[C@H]3C2)n1CC1CCCCC1 ZINC000244734371 569055094 /nfs/dbraw/zinc/05/50/94/569055094.db2.gz NEFQJXUKVRDJNB-FQEVSTJZSA-N 1 1 420.623 2.927 50 0 HFAAMO CCOC(=O)C1C(C[NH+]2C[C@H](C)C[C@@H](C)C2)=NC(=O)N[C@H]1c1ccc2c(c1)OCO2 ZINC000245231718 569055254 /nfs/dbraw/zinc/05/52/54/569055254.db2.gz JGJYVIGWLAJVFX-JZKQVHKSSA-N 1 1 415.490 2.564 50 0 HFAAMO CCCNC(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@H]2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000245253614 569055400 /nfs/dbraw/zinc/05/54/00/569055400.db2.gz JOZUTRHSMRQYDN-AMHTUMDSSA-N 1 1 420.550 2.907 50 0 HFAAMO CCCNC(=O)C[N@H+]1CC[C@]2(O)CCCC[C@H]2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000245253614 569055401 /nfs/dbraw/zinc/05/54/01/569055401.db2.gz JOZUTRHSMRQYDN-AMHTUMDSSA-N 1 1 420.550 2.907 50 0 HFAAMO C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000006560623 569065782 /nfs/dbraw/zinc/06/57/82/569065782.db2.gz TYPGSONXYFYZBR-KRWDZBQOSA-N 1 1 413.543 2.856 50 0 HFAAMO C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[N@H+]1CCc2ccccc2C1 ZINC000006560623 569065783 /nfs/dbraw/zinc/06/57/83/569065783.db2.gz TYPGSONXYFYZBR-KRWDZBQOSA-N 1 1 413.543 2.856 50 0 HFAAMO NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000036006878 569076170 /nfs/dbraw/zinc/07/61/70/569076170.db2.gz QTZIGUHAPDAKFP-CZYKHXBRSA-N 1 1 409.445 2.841 50 0 HFAAMO NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000036006878 569076171 /nfs/dbraw/zinc/07/61/71/569076171.db2.gz QTZIGUHAPDAKFP-CZYKHXBRSA-N 1 1 409.445 2.841 50 0 HFAAMO O[C@@H](COCc1ccccc1)C[N@@H+](CCN1CCOCC1)Cc1ccc(F)cc1 ZINC000036102442 569092001 /nfs/dbraw/zinc/09/20/01/569092001.db2.gz QKILSBUAJUJTBE-HSZRJFAPSA-N 1 1 402.510 2.538 50 0 HFAAMO C[C@H]1Sc2ccc(S(=O)(=O)N3CC[NH+](C4CCCCC4)CC3)cc2NC1=O ZINC000036139326 569097730 /nfs/dbraw/zinc/09/77/30/569097730.db2.gz MTQJMUCGJWYBEF-CQSZACIVSA-N 1 1 409.577 2.758 50 0 HFAAMO Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)c3ccc4c(c3)nc(C)c(=O)n4C)C2)cc1 ZINC000064858968 569109353 /nfs/dbraw/zinc/10/93/53/569109353.db2.gz FGVMFEKGLMSAOL-IBGZPJMESA-N 1 1 404.514 2.802 50 0 HFAAMO COc1ccc(C2=NN(C(=O)CN3CC[NH+](C)CC3)[C@H](c3ccccc3C)C2)cc1 ZINC000036344919 569142500 /nfs/dbraw/zinc/14/25/00/569142500.db2.gz SIAHIFAILXUYKA-QHCPKHFHSA-N 1 1 406.530 2.929 50 0 HFAAMO Cc1c(C(=O)NCC[N@H+](C)Cc2ccccc2)sc2nc3n(c(=O)c12)CCCC3 ZINC000006841106 569151753 /nfs/dbraw/zinc/15/17/53/569151753.db2.gz IFICQQLJBZKWMJ-UHFFFAOYSA-N 1 1 410.543 2.965 50 0 HFAAMO CC[NH+]1CCN(C(=O)c2cc3n(n2)C[C@H](c2ccc(Br)cc2)OC3)CC1 ZINC000169776490 569173202 /nfs/dbraw/zinc/17/32/02/569173202.db2.gz XXZINCMPIMWESI-GOSISDBHSA-N 1 1 419.323 2.695 50 0 HFAAMO CC[N@@H+](CCCNS(=O)(=O)c1ccc2c(c1)NC(=O)CS2)Cc1ccccc1 ZINC000006892737 569175145 /nfs/dbraw/zinc/17/51/45/569175145.db2.gz QVNFRVIYCBSMOR-UHFFFAOYSA-N 1 1 419.572 2.921 50 0 HFAAMO C[C@@H]1CCC[N@H+](Cc2nc(Cn3ccn4nc(-c5ccc(F)cc5)cc4c3=O)no2)C1 ZINC000065235902 569202600 /nfs/dbraw/zinc/20/26/00/569202600.db2.gz OHKHKNQYKYUPGC-OAHLLOKOSA-N 1 1 422.464 2.965 50 0 HFAAMO C[C@@H]1CCC[N@@H+](Cc2nc(Cn3ccn4nc(-c5ccc(F)cc5)cc4c3=O)no2)C1 ZINC000065235902 569202601 /nfs/dbraw/zinc/20/26/01/569202601.db2.gz OHKHKNQYKYUPGC-OAHLLOKOSA-N 1 1 422.464 2.965 50 0 HFAAMO CC(C)Cn1c2ccccc2n2nc(C(=O)NCC[N@H+]3CCC[C@H](C)C3)cc2c1=O ZINC000065292431 569218339 /nfs/dbraw/zinc/21/83/39/569218339.db2.gz GBZUKZWBFIPAAH-KRWDZBQOSA-N 1 1 409.534 2.767 50 0 HFAAMO O=C(NC1CCCCC1)N1CCC[N@@H+]([C@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000065293331 569218437 /nfs/dbraw/zinc/21/84/37/569218437.db2.gz MPLWRCXYMDRQDP-NRFANRHFSA-N 1 1 416.541 2.977 50 0 HFAAMO O=C(NC1CCCCC1)N1CCC[N@H+]([C@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000065293331 569218439 /nfs/dbraw/zinc/21/84/39/569218439.db2.gz 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QRPXBFPHSVIMBJ-XMMPIXPASA-N 1 1 407.514 2.503 50 0 HFAAMO Cc1cc(C)cc(NC(=O)CN(C)CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000023718146 559179387 /nfs/dbraw/zinc/17/93/87/559179387.db2.gz HUAVBMIPOGKURC-UHFFFAOYSA-N 1 1 408.546 2.518 50 0 HFAAMO Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)CC2)cc1C ZINC000408516957 559212918 /nfs/dbraw/zinc/21/29/18/559212918.db2.gz NTQRYUTZZJSRGK-GOSISDBHSA-N 1 1 409.596 2.549 50 0 HFAAMO COC(CNC(=O)C1CC[NH+](Cc2nc(-c3ccccc3F)oc2C)CC1)OC ZINC000005043855 559236397 /nfs/dbraw/zinc/23/63/97/559236397.db2.gz TWQYFMZKDHSMQY-UHFFFAOYSA-N 1 1 405.470 2.736 50 0 HFAAMO Cc1oc(-c2ccc(Cl)cc2)nc1C[S@](=O)CC(=O)NCC[NH+]1CCCC1 ZINC000005058118 559238354 /nfs/dbraw/zinc/23/83/54/559238354.db2.gz FKYHHKNLGIQSIX-HHHXNRCGSA-N 1 1 409.939 2.764 50 0 aggregator HFAAMO CCc1nn(CC(=O)NCCC[N@@H+]2CCCC[C@@H]2CC)c(=O)c2cc3occc3n21 ZINC000005149431 559253282 /nfs/dbraw/zinc/25/32/82/559253282.db2.gz IVCBDEOAVZAOKP-INIZCTEOSA-N 1 1 413.522 2.575 50 0 HFAAMO O=S(=O)(NC[C@@H](c1ccco1)[NH+]1CCCCCC1)c1ccc2c(c1)OCCO2 ZINC000011999597 559270512 /nfs/dbraw/zinc/27/05/12/559270512.db2.gz DGQAHQGCUGJORZ-KRWDZBQOSA-N 1 1 406.504 2.946 50 0 HFAAMO C[N@@H+](CCNC(=O)N[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)Cc1ccccc1 ZINC000005201371 560537473 /nfs/dbraw/zinc/53/74/73/560537473.db2.gz YOHKIZKDEKYCOB-SFHVURJKSA-N 1 1 400.910 2.877 50 0 HFAAMO CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000005342104 560567888 /nfs/dbraw/zinc/56/78/88/560567888.db2.gz IKGQDFUZZJEFNF-PBQROFAYSA-N 1 1 415.493 2.676 50 0 HFAAMO Cc1nc(CSCC(=O)NCc2ccccc2C[NH+]2CCN(C)CC2)cs1 ZINC000046935221 560879484 /nfs/dbraw/zinc/87/94/84/560879484.db2.gz AOAAOERUCKRQHZ-UHFFFAOYSA-N 1 1 404.605 2.749 50 0 HFAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)ccn1 ZINC000047012076 560879584 /nfs/dbraw/zinc/87/95/84/560879584.db2.gz NDNVTJJQPBGSHK-IBGZPJMESA-N 1 1 405.458 2.623 50 0 HFAAMO Cc1nn(C)c2nc(C)c(C(=O)NCCC[N@H+]3CCN(C)C[C@H]3c3ccccc3)cc12 ZINC000109025650 568420791 /nfs/dbraw/zinc/42/07/91/568420791.db2.gz LSIRFUOKGNYRAV-QFIPXVFZSA-N 1 1 420.561 2.694 50 0 HFAAMO Cc1nn(C)c2nc(C)c(C(=O)NCCCN3CC[N@H+](C)C[C@H]3c3ccccc3)cc12 ZINC000109025650 568420794 /nfs/dbraw/zinc/42/07/94/568420794.db2.gz LSIRFUOKGNYRAV-QFIPXVFZSA-N 1 1 420.561 2.694 50 0 HFAAMO Cc1nn(C)c2nc(C)c(C(=O)NCCCN3CC[N@@H+](C)C[C@H]3c3ccccc3)cc12 ZINC000109025650 568420795 /nfs/dbraw/zinc/42/07/95/568420795.db2.gz LSIRFUOKGNYRAV-QFIPXVFZSA-N 1 1 420.561 2.694 50 0 HFAAMO C[N@@H+](CCNS(=O)(=O)c1cc(Br)ccc1Br)C1CC1 ZINC000048288019 568434712 /nfs/dbraw/zinc/43/47/12/568434712.db2.gz ZKWVKCNTRQTNDU-UHFFFAOYSA-N 1 1 412.147 2.584 50 0 HFAAMO CC(C)[NH+]1CCN(C(=O)c2cn(-c3ccc(-c4nc(C(C)(C)C)no4)cn3)cn2)CC1 ZINC000049420790 568450318 /nfs/dbraw/zinc/45/03/18/568450318.db2.gz HLCHYKOIHCEHLV-UHFFFAOYSA-N 1 1 423.521 2.781 50 0 HFAAMO C[C@@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000221818604 568511187 /nfs/dbraw/zinc/51/11/87/568511187.db2.gz SKCKJVPXLZNXFF-KZWFYYSKSA-N 1 1 416.610 2.833 50 0 HFAAMO Cn1cc[nH+]c1CC1CCN(Cc2nnnn2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000095381584 568603541 /nfs/dbraw/zinc/60/35/41/568603541.db2.gz MYZOTCZRMRGXIZ-UHFFFAOYSA-N 1 1 405.428 2.869 50 0 HFAAMO C[N@@H+](CCCO)C1CCN(C(=O)Nc2ccc(S(=O)(=O)C3CCCC3)cc2)CC1 ZINC000095400100 568604873 /nfs/dbraw/zinc/60/48/73/568604873.db2.gz MCHHMKLKWIQFOA-UHFFFAOYSA-N 1 1 423.579 2.713 50 0 HFAAMO O=C(Cn1c(=O)c2cccn2c2ccc(F)cc21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020489850 568614235 /nfs/dbraw/zinc/61/42/35/568614235.db2.gz XFXMDTYDNRJONT-UHFFFAOYSA-N 1 1 418.472 2.738 50 0 HFAAMO O=C1C[C@@H](c2nc3ccccc3n2CC[NH+]2CCOCC2)CN1Cc1ccccc1 ZINC000021172280 568676562 /nfs/dbraw/zinc/67/65/62/568676562.db2.gz CGMRXYUOKNOUSZ-HXUWFJFHSA-N 1 1 404.514 2.885 50 0 HFAAMO C[N@@H+](CCO)C1CCN(C(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)CC1 ZINC000095996504 568679102 /nfs/dbraw/zinc/67/91/02/568679102.db2.gz PSIMKJPMTOIWKQ-UHFFFAOYSA-N 1 1 414.481 2.998 50 0 HFAAMO CC[NH+]1CCN(C(=O)c2ccc(Cn3ccs/c3=N\C(=O)c3ccco3)cc2)CC1 ZINC000096095939 568688691 /nfs/dbraw/zinc/68/86/91/568688691.db2.gz MAYSJUOGMZHZQK-FCQUAONHSA-N 1 1 424.526 2.710 50 0 HFAAMO O=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000096099734 568690780 /nfs/dbraw/zinc/69/07/80/568690780.db2.gz RBMLKVJCTXSGJK-LBPRGKRZSA-N 1 1 412.861 2.579 50 0 HFAAMO C[C@@H]1C[C@](O)([Si](c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](C)C[N@H+]1C ZINC000226869847 568698355 /nfs/dbraw/zinc/69/83/55/568698355.db2.gz URNGAGFSEVYAOW-VRUMLPLGSA-N 1 1 401.626 2.787 50 0 HFAAMO COc1ccc(-c2noc(C[NH+]3CCC(C(=O)Nc4cccnc4)CC3)n2)cc1OC ZINC000021531462 568711062 /nfs/dbraw/zinc/71/10/62/568711062.db2.gz AHCDSLULFFABCX-UHFFFAOYSA-N 1 1 423.473 3.000 50 0 HFAAMO CC(C)[NH+]1CCN(C(=O)c2csc(N3CCN(c4ccccc4F)CC3)n2)CC1 ZINC000096386402 568742873 /nfs/dbraw/zinc/74/28/73/568742873.db2.gz ZDISUPGOULIYKX-UHFFFAOYSA-N 1 1 417.554 2.775 50 0 HFAAMO CC[NH+]1CCN(C(=O)c2ccccc2N(C)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000002852808 568813352 /nfs/dbraw/zinc/81/33/52/568813352.db2.gz CWDWDSWVGSZNNP-UHFFFAOYSA-N 1 1 401.532 2.598 50 0 HFAAMO CCOC(=O)C1CC[NH+](CC(C)(C)NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000003191951 568860723 /nfs/dbraw/zinc/86/07/23/568860723.db2.gz UAOARGPZPHQBLE-UHFFFAOYSA-N 1 1 402.944 2.672 50 0 HFAAMO C[N@H+]1CCCCC[C@H]1C(=O)N1CCC2(C[C@@H]2C(=O)NCCCc2ccncc2)CC1 ZINC000299758160 568872999 /nfs/dbraw/zinc/87/29/99/568872999.db2.gz NZPCKZGXAJHWOL-RTWAWAEBSA-N 1 1 412.578 2.634 50 0 HFAAMO COc1ccc(Cl)cc1C(=O)N[C@@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000670440761 568890351 /nfs/dbraw/zinc/89/03/51/568890351.db2.gz DRKIRUPBPSRYKR-FCRSDJTPSA-N 1 1 411.933 2.646 50 0 HFAAMO CC[N@@H+]1CCc2c(sc(NC(=O)c3cc(OC)c(OC)c(OC)c3)c2C(N)=O)C1 ZINC000004087088 568940877 /nfs/dbraw/zinc/94/08/77/568940877.db2.gz NNNHLVFSSSMPTC-UHFFFAOYSA-N 1 1 419.503 2.503 50 0 HFAAMO CC[N@H+]1CCc2c(sc(NC(=O)c3cc(OC)c(OC)c(OC)c3)c2C(N)=O)C1 ZINC000004087088 568940878 /nfs/dbraw/zinc/94/08/78/568940878.db2.gz NNNHLVFSSSMPTC-UHFFFAOYSA-N 1 1 419.503 2.503 50 0 HFAAMO O=C(CCS(=O)(=O)c1ccccc1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000038584661 569002092 /nfs/dbraw/zinc/00/20/92/569002092.db2.gz JMQHXXNDJSFZBO-UHFFFAOYSA-N 1 1 406.573 2.940 50 0 HFAAMO COc1ccc(C[N@@H+]2CCN(Cc3cc(CC(C)C)n[nH]3)C[C@H]2CCO)cc1C ZINC000104468029 569008834 /nfs/dbraw/zinc/00/88/34/569008834.db2.gz RAYCSIYHBFXWGA-JOCHJYFZSA-N 1 1 400.567 2.994 50 0 HFAAMO COc1ccc(C[N@H+]2CCN(Cc3cc(CC(C)C)n[nH]3)C[C@H]2CCO)cc1C ZINC000104468029 569008835 /nfs/dbraw/zinc/00/88/35/569008835.db2.gz RAYCSIYHBFXWGA-JOCHJYFZSA-N 1 1 400.567 2.994 50 0 HFAAMO COc1cc(C[N@@H+]2CCN(Cc3ccc(F)c(OC)c3)C[C@H]2CCO)cc(OC)c1 ZINC000104528572 569008989 /nfs/dbraw/zinc/00/89/89/569008989.db2.gz DTGIUVJLLXMWJU-LJQANCHMSA-N 1 1 418.509 2.920 50 0 HFAAMO COc1cc(C[N@H+]2CCN(Cc3ccc(F)c(OC)c3)C[C@H]2CCO)cc(OC)c1 ZINC000104528572 569008990 /nfs/dbraw/zinc/00/89/90/569008990.db2.gz DTGIUVJLLXMWJU-LJQANCHMSA-N 1 1 418.509 2.920 50 0 HFAAMO Cc1ccc2c(c1C)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016000587 569025441 /nfs/dbraw/zinc/02/54/41/569025441.db2.gz QDMNMWPJLHBOTO-UAKAABGRSA-N 1 1 419.456 2.874 50 0 HFAAMO CC[C@@H](C)[C@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000035349311 569033484 /nfs/dbraw/zinc/03/34/84/569033484.db2.gz RVKGMCXDGHVMIK-IBZMOEQTSA-N 1 1 409.486 2.599 50 0 HFAAMO Cc1ccc(CNC(=O)Cn2c(C)nc3c(c2=O)CC[N@H+](Cc2ccccc2)C3)cc1 ZINC000035456148 569037983 /nfs/dbraw/zinc/03/79/83/569037983.db2.gz DEBQOFFHAJSSEL-UHFFFAOYSA-N 1 1 416.525 2.735 50 0 HFAAMO Cc1ccc(CNC(=O)Cn2c(C)nc3c(c2=O)CC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000035456148 569037984 /nfs/dbraw/zinc/03/79/84/569037984.db2.gz DEBQOFFHAJSSEL-UHFFFAOYSA-N 1 1 416.525 2.735 50 0 HFAAMO CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)NCc1ccc(OC)cc1 ZINC000035485145 569039692 /nfs/dbraw/zinc/03/96/92/569039692.db2.gz DOMWJOMKBNBKDW-SSKFGXFMSA-N 1 1 409.530 2.557 50 0 biogenic HFAAMO COc1ccccc1CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000035485152 569039724 /nfs/dbraw/zinc/03/97/24/569039724.db2.gz ZDCGAEULNLJTAZ-SFTDATJTSA-N 1 1 409.530 2.557 50 0 biogenic HFAAMO COc1cccc(Cn2ncc3ccc(C(=O)NCCC[NH+]4CCOCC4)cc32)c1 ZINC000035559960 569044884 /nfs/dbraw/zinc/04/48/84/569044884.db2.gz WQKJPDUTYZYNCN-UHFFFAOYSA-N 1 1 408.502 2.545 50 0 HFAAMO Cc1nc(-n2ccnc2)cc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)[nH+]1 ZINC000035598152 569045820 /nfs/dbraw/zinc/04/58/20/569045820.db2.gz JZCCGBONTPTVEC-UHFFFAOYSA-N 1 1 416.407 2.952 50 0 HFAAMO Cc1cc(N2CCN(Cc3nc4sc5c(c4c(=O)[nH]3)CCCC5)CC2)nc(C)[nH+]1 ZINC000012982057 569047241 /nfs/dbraw/zinc/04/72/41/569047241.db2.gz WCMNCYJTSWAQPL-UHFFFAOYSA-N 1 1 410.547 2.592 50 0 HFAAMO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@H+](C)[C@H]2CCCc3ccccc32)C1=O ZINC000239475459 569054469 /nfs/dbraw/zinc/05/44/69/569054469.db2.gz AOMCVDDLOIGOSI-RDPSFJRHSA-N 1 1 420.513 2.884 50 0 HFAAMO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@@H+](C)[C@H]2CCCc3ccccc32)C1=O ZINC000239475459 569054470 /nfs/dbraw/zinc/05/44/70/569054470.db2.gz AOMCVDDLOIGOSI-RDPSFJRHSA-N 1 1 420.513 2.884 50 0 HFAAMO C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000239667157 569054499 /nfs/dbraw/zinc/05/44/99/569054499.db2.gz BPDWURUGTBZNBM-UGSOOPFHSA-N 1 1 408.458 2.792 50 0 HFAAMO C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000239667157 569054500 /nfs/dbraw/zinc/05/45/00/569054500.db2.gz BPDWURUGTBZNBM-UGSOOPFHSA-N 1 1 408.458 2.792 50 0 HFAAMO Cc1ccc(C[N@@H+](CCN2CCOCC2)C[C@H](O)COCc2ccco2)c(C)c1 ZINC000036098860 569091048 /nfs/dbraw/zinc/09/10/48/569091048.db2.gz QXUNAOORYKABSS-QFIPXVFZSA-N 1 1 402.535 2.608 50 0 HFAAMO CCC(=O)N1c2ccc(S(=O)(=O)NCC[N@H+](C)Cc3ccccc3)cc2C[C@H]1C ZINC000006730320 569102880 /nfs/dbraw/zinc/10/28/80/569102880.db2.gz RFWNPUAAGUNBJG-QGZVFWFLSA-N 1 1 415.559 2.785 50 0 HFAAMO CCC(=O)N1c2ccc(S(=O)(=O)NCC[N@@H+](C)Cc3ccccc3)cc2C[C@H]1C ZINC000006730320 569102882 /nfs/dbraw/zinc/10/28/82/569102882.db2.gz RFWNPUAAGUNBJG-QGZVFWFLSA-N 1 1 415.559 2.785 50 0 HFAAMO CCN(CC)C(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccccc2OC)CC1 ZINC000036250160 569119183 /nfs/dbraw/zinc/11/91/83/569119183.db2.gz GHFIHTMSABBBHG-NRFANRHFSA-N 1 1 401.551 2.880 50 0 HFAAMO CCCN(C)C(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccc(OC)cc2)CC1 ZINC000036250719 569119872 /nfs/dbraw/zinc/11/98/72/569119872.db2.gz LREMWFQKTMNUOW-OAQYLSRUSA-N 1 1 401.551 2.880 50 0 HFAAMO CCCn1c2ccccc2c2cnn(CC(=O)NCC[N@@H+]3C[C@H](C)C[C@H](C)C3)c(=O)c21 ZINC000006900163 569176213 /nfs/dbraw/zinc/17/62/13/569176213.db2.gz UTQQWYFXRRLGTN-HDICACEKSA-N 1 1 423.561 2.855 50 0 HFAAMO Cc1scc2nc(C(=O)N3CC[NH+](C(C)C)CC3)nc(N3CCSCC3)c12 ZINC000065283414 569216451 /nfs/dbraw/zinc/21/64/51/569216451.db2.gz UQVPNQBPIRWYOV-UHFFFAOYSA-N 1 1 405.593 2.719 50 0 HFAAMO CCCCOc1ccc(C(=O)NCCNc2cc(N3CCOCC3)[nH+]c(C)n2)cc1 ZINC000036708063 569222035 /nfs/dbraw/zinc/22/20/35/569222035.db2.gz HNNAJZFHADJDHW-UHFFFAOYSA-N 1 1 413.522 2.642 50 0 HFAAMO O=C(NCCC[N@@H+]1CCO[C@H](c2ccccc2)C1)C(=O)NCc1ccc(Cl)cc1 ZINC000017178483 569276395 /nfs/dbraw/zinc/27/63/95/569276395.db2.gz LPBRYJGRDRLQDO-FQEVSTJZSA-N 1 1 415.921 2.536 50 0 HFAAMO O=C(NCCC[N@H+]1CCO[C@H](c2ccccc2)C1)C(=O)NCc1ccc(Cl)cc1 ZINC000017178483 569276396 /nfs/dbraw/zinc/27/63/96/569276396.db2.gz LPBRYJGRDRLQDO-FQEVSTJZSA-N 1 1 415.921 2.536 50 0 HFAAMO Cc1cccc(C)c1-n1nnnc1SCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000007798847 569311191 /nfs/dbraw/zinc/31/11/91/569311191.db2.gz PIBACCREIJGCHL-IBGZPJMESA-N 1 1 422.558 2.762 50 0 HFAAMO Cn1cc(C(=O)N2CC([N@@H+]3CCc4ccccc4C3)C2)c(-c2cccs2)cc1=O ZINC000253473220 569381529 /nfs/dbraw/zinc/38/15/29/569381529.db2.gz SRUWNGMEDNWMON-UHFFFAOYSA-N 1 1 405.523 2.997 50 0 HFAAMO Cn1cc(C(=O)N2CC([N@H+]3CCc4ccccc4C3)C2)c(-c2cccs2)cc1=O ZINC000253473220 569381531 /nfs/dbraw/zinc/38/15/31/569381531.db2.gz SRUWNGMEDNWMON-UHFFFAOYSA-N 1 1 405.523 2.997 50 0 HFAAMO CCc1ccccc1N1C[C@H](C(=O)N(C)CCC[N@@H+](C)Cc2ccncc2)CC1=O ZINC000328591871 569415098 /nfs/dbraw/zinc/41/50/98/569415098.db2.gz ASOWYCJVOJHQLX-OAQYLSRUSA-N 1 1 408.546 2.977 50 0 HFAAMO COCC[N@@H+](C)CC[C@H](NC(=O)C(=O)Nc1ccc(C(C)=O)cc1)c1ccccc1 ZINC000078751642 569420243 /nfs/dbraw/zinc/42/02/43/569420243.db2.gz FFEFZNILRFQXCA-NRFANRHFSA-N 1 1 411.502 2.654 50 0 HFAAMO CCN(C(=O)CNc1ccccc1C[N@@H+](C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000078958436 569422191 /nfs/dbraw/zinc/42/21/91/569422191.db2.gz KFQXMIMGIUFXQV-HXUWFJFHSA-N 1 1 421.607 2.899 50 0 HFAAMO Cc1c([C@H](C)[NH2+]Cc2cnn([C@H]3CCS(=O)(=O)C3)c2)cnn1-c1ccc(F)cc1 ZINC000079100182 569427502 /nfs/dbraw/zinc/42/75/02/569427502.db2.gz DEODPEVSOXHLTF-LIRRHRJNSA-N 1 1 417.510 2.727 50 0 HFAAMO C[C@H](NC(=O)N1CC[NH+](Cc2ccccc2)CC1)C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000079490597 569432432 /nfs/dbraw/zinc/43/24/32/569432432.db2.gz IJGWCKNDZJARTJ-AWEZNQCLSA-N 1 1 420.435 2.958 50 0 HFAAMO COC(=O)c1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1 ZINC000040018042 571139149 /nfs/dbraw/zinc/13/91/49/571139149.db2.gz XEHVGTSCNJTDLS-AZUAARDMSA-N 1 1 412.486 2.564 50 0 HFAAMO Cc1nc2ncnn2c(C)c1CCC(=O)NC[C@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000040070949 571151486 /nfs/dbraw/zinc/15/14/86/571151486.db2.gz DZPVJBIEXYLNNL-JOCHJYFZSA-N 1 1 420.561 2.873 50 0 HFAAMO C[NH+]1CCN(C(=O)c2ccc(CNC(=O)c3csc(Br)c3)cc2)CC1 ZINC000040111525 571169690 /nfs/dbraw/zinc/16/96/90/571169690.db2.gz TVROBCPPMLIFQJ-UHFFFAOYSA-N 1 1 422.348 2.828 50 0 HFAAMO CCN1CC[NH+](Cc2ccccc2CNC(=O)NCc2ccc(C(=O)OC)cc2)CC1 ZINC000040138944 571188859 /nfs/dbraw/zinc/18/88/59/571188859.db2.gz LSBCJIUKERUEKV-UHFFFAOYSA-N 1 1 424.545 2.610 50 0 HFAAMO O=C(CC[N@@H+]1CCO[C@H](c2ccc(Cl)cc2)C1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000040154723 571202250 /nfs/dbraw/zinc/20/22/50/571202250.db2.gz VKPBTNSGSJQVBN-SFHVURJKSA-N 1 1 400.866 2.912 50 0 HFAAMO O=C(CC[N@H+]1CCO[C@H](c2ccc(Cl)cc2)C1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000040154723 571202253 /nfs/dbraw/zinc/20/22/53/571202253.db2.gz VKPBTNSGSJQVBN-SFHVURJKSA-N 1 1 400.866 2.912 50 0 HFAAMO Cc1cc(C)n(CC[N@H+]2CCCN(C(=O)c3ccc(Cn4ccnc4)cc3)CC2)n1 ZINC000077100055 571311210 /nfs/dbraw/zinc/31/12/10/571311210.db2.gz GGVXYAUQRDJDSY-UHFFFAOYSA-N 1 1 406.534 2.593 50 0 HFAAMO Cc1cc(C)n(CC[N@@H+]2CCCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)n1 ZINC000077196869 571312470 /nfs/dbraw/zinc/31/24/70/571312470.db2.gz MUBRYKKGCDROCE-UHFFFAOYSA-N 1 1 416.591 2.775 50 0 HFAAMO Cc1cc(C)n(CC[N@H+]2CCCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)n1 ZINC000077196869 571312471 /nfs/dbraw/zinc/31/24/71/571312471.db2.gz MUBRYKKGCDROCE-UHFFFAOYSA-N 1 1 416.591 2.775 50 0 HFAAMO COc1ccc(Cl)cc1S(=O)(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000012068957 132353358 /nfs/dbraw/zinc/35/33/58/132353358.db2.gz ZPPRRIJJDPAPSD-UHFFFAOYSA-N 1 1 423.966 2.839 50 0 HFAAMO CC(C)C[C@H](CNC(=O)[C@H](C)NC(=O)C12CC3CC(CC(C3)C1)C2)[NH+]1CCOCC1 ZINC000032909736 519348388 /nfs/dbraw/zinc/34/83/88/519348388.db2.gz SGMNPTMTGDYUMD-GEBUGFDQSA-N 1 1 419.610 2.571 50 0 HFAAMO COc1ccc(C(=O)N2CCC[C@@H](C(=O)N3CCC[N@@H+](C)CC3)C2)c2ccccc12 ZINC000032784221 523631950 /nfs/dbraw/zinc/63/19/50/523631950.db2.gz KYKPSZHIKGJHST-GOSISDBHSA-N 1 1 409.530 2.865 50 0 HFAAMO CCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)N1CC[NH+](CC)CC1 ZINC000020568046 524058976 /nfs/dbraw/zinc/05/89/76/524058976.db2.gz ISHVGGNOTNXTPW-UHFFFAOYSA-N 1 1 413.543 2.589 50 0 HFAAMO C[C@@H](CNC(=O)c1cccc(I)c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000032828403 524723267 /nfs/dbraw/zinc/72/32/67/524723267.db2.gz WBEGXNRJRWRYKO-YNEHKIRRSA-N 1 1 402.276 2.519 50 0 HFAAMO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000032797378 525454625 /nfs/dbraw/zinc/45/46/25/525454625.db2.gz SABZCBMLQGEVNE-CYBMUJFWSA-N 1 1 401.937 2.868 50 0 HFAAMO COc1cccc(C[N@@H+]2CCN(Cc3ccc(OC)c(OC)c3)C[C@H]2CCO)c1 ZINC000036385837 525944813 /nfs/dbraw/zinc/94/48/13/525944813.db2.gz UVRSFFLPACHPEJ-HXUWFJFHSA-N 1 1 400.519 2.781 50 0 HFAAMO COc1cccc(C[N@H+]2CCN(Cc3ccc(OC)c(OC)c3)C[C@H]2CCO)c1 ZINC000036385837 525944822 /nfs/dbraw/zinc/94/48/22/525944822.db2.gz UVRSFFLPACHPEJ-HXUWFJFHSA-N 1 1 400.519 2.781 50 0 HFAAMO CCN1CCN(C(=O)c2ccc(C[NH+]3CCN(c4ccccc4OC)CC3)cc2)CC1 ZINC000034668484 557362118 /nfs/dbraw/zinc/36/21/18/557362118.db2.gz KCTRKTGNJQVNLH-UHFFFAOYSA-N 1 1 422.573 2.795 50 0 HFAAMO O=C(Nc1cccc(F)c1)c1coc(CN2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1 ZINC000034677169 557364585 /nfs/dbraw/zinc/36/45/85/557364585.db2.gz FMWCUFUKJJZAPA-NRFANRHFSA-N 1 1 424.476 2.917 50 0 HFAAMO CCc1ccc(C[N@@H+]2CCc3nnc([C@H](CC(C)C)NC(=O)COC)n3CC2)cc1 ZINC000019744832 558265228 /nfs/dbraw/zinc/26/52/28/558265228.db2.gz MIIFBBWZSATLIT-FQEVSTJZSA-N 1 1 413.566 2.749 50 0 HFAAMO C[C@@H](NC(=O)c1cc(F)ccc1F)c1nnc2n1CC[N@H+](Cc1cccnc1)CC2 ZINC000011791092 558277528 /nfs/dbraw/zinc/27/75/28/558277528.db2.gz BHCIYRONLKGULN-CQSZACIVSA-N 1 1 412.444 2.501 50 0 HFAAMO Cc1[nH+]ccn1CCC(=O)N1CCC[C@H](CCC(=O)N(C)CCc2ccccn2)C1 ZINC000011819486 558282720 /nfs/dbraw/zinc/28/27/20/558282720.db2.gz JAKZKQHBZHGKEV-HXUWFJFHSA-N 1 1 411.550 2.697 50 0 HFAAMO CCC(CC)C[N@@H+]1CCc2nnc(CCNC(=O)Cc3ccc(F)cc3)n2CC1 ZINC000012002435 558308412 /nfs/dbraw/zinc/30/84/12/558308412.db2.gz DFPRGAFHBJJCKL-UHFFFAOYSA-N 1 1 401.530 2.613 50 0 HFAAMO COc1ccc(CC(=O)NC[C@H]2CCC[N@H+](Cc3cnc(SC)nc3)C2)cc1 ZINC000012073614 558318371 /nfs/dbraw/zinc/31/83/71/558318371.db2.gz YICZTRSJMPZLMH-QGZVFWFLSA-N 1 1 400.548 2.778 50 0 HFAAMO COc1ccc(CC(=O)NC[C@H]2CCC[N@@H+](Cc3cnc(SC)nc3)C2)cc1 ZINC000012073614 558318375 /nfs/dbraw/zinc/31/83/75/558318375.db2.gz YICZTRSJMPZLMH-QGZVFWFLSA-N 1 1 400.548 2.778 50 0 HFAAMO COc1nc2ccccc2cc1C[NH2+]Cc1cccnc1N1CCN(C(C)=O)CC1 ZINC000020135714 558337761 /nfs/dbraw/zinc/33/77/61/558337761.db2.gz QYAMXDACALJLOT-UHFFFAOYSA-N 1 1 405.502 2.597 50 0 HFAAMO CN(Cc1ccon1)C(=O)c1cccc(OC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000020149349 558340359 /nfs/dbraw/zinc/34/03/59/558340359.db2.gz YEFQHRLTZRRUOO-UHFFFAOYSA-N 1 1 412.534 2.884 50 0 HFAAMO COC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCN(c3cc(Cl)ccc3C)CC2)cc1 ZINC000020255053 558351860 /nfs/dbraw/zinc/35/18/60/558351860.db2.gz UUNAOZXVFAERRR-IBGZPJMESA-N 1 1 418.921 2.997 50 0 HFAAMO C[C@@H](NC(=O)C1CC1)c1nnc2n1CC[N@H+](Cc1ccc(OC(F)(F)F)cc1)CC2 ZINC000012204074 558352337 /nfs/dbraw/zinc/35/23/37/558352337.db2.gz LTJLIYUOONYTSQ-CYBMUJFWSA-N 1 1 423.439 2.822 50 0 HFAAMO COc1cc(CN2CC[N@H+](Cc3cccc(C)n3)[C@@H](CCO)C2)cc(Cl)c1O ZINC000020294461 558354520 /nfs/dbraw/zinc/35/45/20/558354520.db2.gz NLGOLFGJZMOAJG-SFHVURJKSA-N 1 1 405.926 2.826 50 0 HFAAMO COc1cc(CN2CC[N@@H+](Cc3cccc(C)n3)[C@@H](CCO)C2)cc(Cl)c1O ZINC000020294461 558354523 /nfs/dbraw/zinc/35/45/23/558354523.db2.gz NLGOLFGJZMOAJG-SFHVURJKSA-N 1 1 405.926 2.826 50 0 HFAAMO CC(C)OCCCNC(=O)c1coc(CN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000020451864 558365998 /nfs/dbraw/zinc/36/59/98/558365998.db2.gz GKLUIEYGVDGQQV-UHFFFAOYSA-N 1 1 400.523 2.537 50 0 HFAAMO CCOC(=O)N1CCC([N@H+]2CCC[C@H](N3CCN(c4ccccc4)CC3)C2)CC1 ZINC000020451846 558366066 /nfs/dbraw/zinc/36/60/66/558366066.db2.gz APVNAFDMDKFNST-QFIPXVFZSA-N 1 1 400.567 2.894 50 0 HFAAMO CCc1ccc(C[N@@H+]2CCc3nnc([C@H](C)NC(=O)COc4ccccc4)n3CC2)o1 ZINC000020451971 558366296 /nfs/dbraw/zinc/36/62/96/558366296.db2.gz KUVDLXPMZVONHX-KRWDZBQOSA-N 1 1 423.517 2.748 50 0 HFAAMO Cc1cccc(C)c1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@H+]1[C@]21c2ccccc2NC1=O ZINC000020462804 558373756 /nfs/dbraw/zinc/37/37/56/558373756.db2.gz DANMZDFCDJOVND-UAKAABGRSA-N 1 1 401.466 2.735 50 0 HFAAMO COc1ccc(-n2ccnc2C[N@@H+]2CCC[C@H](CCC(=O)N3CCOCC3)C2)cc1 ZINC000012316802 558380239 /nfs/dbraw/zinc/38/02/39/558380239.db2.gz XPFIOKYZGIMVHM-LJQANCHMSA-N 1 1 412.534 2.732 50 0 HFAAMO COc1ccc(-n2ccnc2C[N@H+]2CCC[C@H](CCC(=O)N3CCOCC3)C2)cc1 ZINC000012316802 558380241 /nfs/dbraw/zinc/38/02/41/558380241.db2.gz XPFIOKYZGIMVHM-LJQANCHMSA-N 1 1 412.534 2.732 50 0 HFAAMO CCCc1cc(=O)oc2cc(C)cc(O[C@@H](C)C(=O)NCCC[NH+]3CCOCC3)c12 ZINC000020533615 558384902 /nfs/dbraw/zinc/38/49/02/558384902.db2.gz HAQADVLPULXNNC-KRWDZBQOSA-N 1 1 416.518 2.660 50 0 HFAAMO COc1cc(=O)n2c(c1C(=O)N1CCCC1)CC[N@H+](Cc1cc(C)ccc1C)CC2 ZINC000020782319 558413036 /nfs/dbraw/zinc/41/30/36/558413036.db2.gz HCVDHOYQXXBTFB-UHFFFAOYSA-N 1 1 409.530 2.768 50 0 HFAAMO O=S(=O)(CC1CC1)c1ncc(CN2CC[N@H+]3CCC[C@@H]3C2)n1CC1CCCCC1 ZINC000020783791 558413462 /nfs/dbraw/zinc/41/34/62/558413462.db2.gz NEFQJXUKVRDJNB-HXUWFJFHSA-N 1 1 420.623 2.927 50 0 HFAAMO Cc1ccc(C[N@@H+]2CCc3nnc([C@@H](NC(=O)c4ccccn4)C(C)C)n3CC2)o1 ZINC000020905828 558420804 /nfs/dbraw/zinc/42/08/04/558420804.db2.gz BEGCTBANFRNARH-FQEVSTJZSA-N 1 1 408.506 2.760 50 0 HFAAMO CCOC(=O)N1CCN([C@@H]2CCC[N@H+](Cc3cc4c(cc3Cl)OCO4)C2)CC1 ZINC000020916440 558422653 /nfs/dbraw/zinc/42/26/53/558422653.db2.gz HTZNREHTAVBMFI-MRXNPFEDSA-N 1 1 409.914 2.807 50 0 HFAAMO CCOC(=O)N1CCN([C@@H]2CCC[N@@H+](Cc3cc4c(cc3Cl)OCO4)C2)CC1 ZINC000020916440 558422656 /nfs/dbraw/zinc/42/26/56/558422656.db2.gz HTZNREHTAVBMFI-MRXNPFEDSA-N 1 1 409.914 2.807 50 0 HFAAMO Cc1ccc(C[N@@H+]2CCc3nnc(CCNC(=O)c4ccc(F)cc4)n3CC2)s1 ZINC000020920218 558423467 /nfs/dbraw/zinc/42/34/67/558423467.db2.gz QLQDCYGKLADGLX-UHFFFAOYSA-N 1 1 413.522 2.818 50 0 HFAAMO Cc1nc(N2CCN(C(=O)Nc3ccccc3Cl)CC2)cc(N2CCOCC2)[nH+]1 ZINC000021795277 558449477 /nfs/dbraw/zinc/44/94/77/558449477.db2.gz QRAYYLDDPVIJSL-UHFFFAOYSA-N 1 1 416.913 2.629 50 0 HFAAMO Cc1ccc(NC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]c(C)n3)CC2)cc1C ZINC000021795252 558449707 /nfs/dbraw/zinc/44/97/07/558449707.db2.gz CENDGWQFHZPTJS-UHFFFAOYSA-N 1 1 410.522 2.593 50 0 HFAAMO COc1ccc(C[NH+]2CCN([C@H](C)c3nc4ccccc4c(=O)[nH]3)CC2)cc1OC ZINC000022770940 558508719 /nfs/dbraw/zinc/50/87/19/558508719.db2.gz CQNRLOARIPOWMU-MRXNPFEDSA-N 1 1 408.502 2.819 50 0 HFAAMO O=C(/C=C/c1ccccc1)N1CC[C@@H]([NH+]2CCN(CCc3ccccc3)CC2)[C@H](O)C1 ZINC000022851274 558516777 /nfs/dbraw/zinc/51/67/77/558516777.db2.gz UYHUBDXQYVWXPY-ZJVFBWDJSA-N 1 1 419.569 2.522 50 0 HFAAMO Cc1occc1C(=O)N1CCC[C@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000022852460 558517184 /nfs/dbraw/zinc/51/71/84/558517184.db2.gz AJJZGFDEARQKFQ-IBGZPJMESA-N 1 1 411.502 2.739 50 0 HFAAMO Cc1ccc(NC(=O)CN2CC[NH+](CCC(=O)Nc3ccc(F)c(F)c3)CC2)cc1 ZINC000022913115 558520222 /nfs/dbraw/zinc/52/02/22/558520222.db2.gz LIMKHSXXLFYHTF-UHFFFAOYSA-N 1 1 416.472 2.858 50 0 HFAAMO COC(=O)c1ccc(NC(=S)N2CCCC[C@@H]2CC[NH+]2CCN(C)CC2)cc1 ZINC000022936589 558527159 /nfs/dbraw/zinc/52/71/59/558527159.db2.gz CCIVYOOQKBGIJU-LJQANCHMSA-N 1 1 404.580 2.662 50 0 HFAAMO CC(C)C[C@@H](CNC(=O)CCN1C(=S)N=NC1c1cccs1)[NH+]1CCOCC1 ZINC000022970401 558528486 /nfs/dbraw/zinc/52/84/86/558528486.db2.gz OAXNBVCQSNMZJJ-HNNXBMFYSA-N 1 1 423.608 2.549 50 0 HFAAMO C[C@H](NC(=O)c1ccco1)c1nnc2n1CC[N@H+](Cc1ccc3cccnc3c1)CC2 ZINC000023129088 558536616 /nfs/dbraw/zinc/53/66/16/558536616.db2.gz OXWOKIBBEVFBLT-INIZCTEOSA-N 1 1 416.485 2.969 50 0 HFAAMO Cc1cc(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)c2c(n1)onc2-c1ccc2c(c1)OCO2 ZINC000013641295 558555434 /nfs/dbraw/zinc/55/54/34/558555434.db2.gz LXDNDTOOCAGKBV-OAHLLOKOSA-N 1 1 406.442 2.847 50 0 HFAAMO CC[NH+]1CCN(C(=O)c2ccc(C)c(NS(=O)(=O)c3ccc(C)cc3)c2)CC1 ZINC000013681115 558566580 /nfs/dbraw/zinc/56/65/80/558566580.db2.gz DIRWYJSPPNKVDM-UHFFFAOYSA-N 1 1 401.532 2.882 50 0 HFAAMO CC(C)(C)OC(=O)N1CCC(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000023958483 558582833 /nfs/dbraw/zinc/58/28/33/558582833.db2.gz IYTDAKGNRUAQBB-UHFFFAOYSA-N 1 1 417.550 2.782 50 0 HFAAMO CCC[N@@H+]1CCc2c(sc(NC(=O)c3cccc(OC)c3OC)c2C(N)=O)C1 ZINC000004479366 558601968 /nfs/dbraw/zinc/60/19/68/558601968.db2.gz DUVFLINYTRTHFY-UHFFFAOYSA-N 1 1 403.504 2.885 50 0 HFAAMO CCC[N@H+]1CCc2c(sc(NC(=O)c3cccc(OC)c3OC)c2C(N)=O)C1 ZINC000004479366 558601970 /nfs/dbraw/zinc/60/19/70/558601970.db2.gz DUVFLINYTRTHFY-UHFFFAOYSA-N 1 1 403.504 2.885 50 0 HFAAMO Cc1csc(NC(=O)C2CC[NH+](CC(=O)NC(=O)N[C@H]3CCCC[C@H]3C)CC2)n1 ZINC000069950486 558656565 /nfs/dbraw/zinc/65/65/65/558656565.db2.gz ZRHLMYINTDPFIP-CJNGLKHVSA-N 1 1 421.567 2.507 50 0 HFAAMO CNC(=O)c1nn(CCc2ccccc2)c2c1C[C@@H]([N@@H+](C)Cc1cc(C)no1)CC2 ZINC000014534602 558657552 /nfs/dbraw/zinc/65/75/52/558657552.db2.gz FCVUIGJFDPZNAB-SFHVURJKSA-N 1 1 407.518 2.771 50 0 HFAAMO Cc1c(C(=O)N2CC[NH+](C(C)C)CC2)cnn1-c1ncc2c(n1)-c1ccccc1CC2 ZINC000014882412 558676465 /nfs/dbraw/zinc/67/64/65/558676465.db2.gz RORXURVGPKZFMC-UHFFFAOYSA-N 1 1 416.529 2.903 50 0 HFAAMO COc1cccc(C[N@H+]2CCC[C@]3(CCN(C(=O)c4nonc4C)C3)C2)c1OC ZINC000014973029 558688196 /nfs/dbraw/zinc/68/81/96/558688196.db2.gz AAPDWRNQFLASNZ-NRFANRHFSA-N 1 1 400.479 2.524 50 0 HFAAMO COC(=O)c1ccc(S(=O)(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000028059947 558690607 /nfs/dbraw/zinc/69/06/07/558690607.db2.gz MVIRVGWOJQAKPF-UHFFFAOYSA-N 1 1 402.516 2.588 50 0 HFAAMO COC(=O)c1ccc(S(=O)(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000028059947 558690610 /nfs/dbraw/zinc/69/06/10/558690610.db2.gz MVIRVGWOJQAKPF-UHFFFAOYSA-N 1 1 402.516 2.588 50 0 HFAAMO CCOc1ccc(C[N@@H+]2CCc3nnc([C@H](C)NC(=O)c4ccco4)n3CC2)cc1 ZINC000014994423 558695730 /nfs/dbraw/zinc/69/57/30/558695730.db2.gz XGNCZXYNUBFPRS-INIZCTEOSA-N 1 1 409.490 2.819 50 0 HFAAMO C[N@H+]1CCCN(c2ccc(CNC(=O)CCC(=O)c3ccc4c(c3)CCC4)cn2)CC1 ZINC000070037567 558702806 /nfs/dbraw/zinc/70/28/06/558702806.db2.gz CJEMIGLNDYSYEK-UHFFFAOYSA-N 1 1 420.557 2.992 50 0 HFAAMO CCOC(=O)C1=C(C[NH+]2CCCCC2)NC(=O)N[C@@H]1c1ccccc1OC(F)F ZINC000029594513 558717578 /nfs/dbraw/zinc/71/75/78/558717578.db2.gz UBXYHWYNDUEBAY-QGZVFWFLSA-N 1 1 409.433 2.945 50 0 HFAAMO COc1cc(C[C@H]2CC(C[NH2+]Cc3ccccc3OC)=NO2)c(OC)c2c1OCO2 ZINC000015081278 558718977 /nfs/dbraw/zinc/71/89/77/558718977.db2.gz JFLKZLVJTGKFGU-KRWDZBQOSA-N 1 1 414.458 2.918 50 0 HFAAMO Cc1noc(C)c1COc1ccc(CC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000032987904 558807793 /nfs/dbraw/zinc/80/77/93/558807793.db2.gz CJKJOBAGGUOUPE-OAQYLSRUSA-N 1 1 413.518 2.736 50 0 HFAAMO COc1cccc(C[N@@H+]2CCN(Cc3c(C)nc4sccn34)C[C@H]2CCO)c1 ZINC000039461082 558821538 /nfs/dbraw/zinc/82/15/38/558821538.db2.gz SZPLOCUNWGWUFV-GOSISDBHSA-N 1 1 400.548 2.782 50 0 HFAAMO COc1cccc(C[N@H+]2CCN(Cc3c(C)nc4sccn34)C[C@H]2CCO)c1 ZINC000039461082 558821539 /nfs/dbraw/zinc/82/15/39/558821539.db2.gz SZPLOCUNWGWUFV-GOSISDBHSA-N 1 1 400.548 2.782 50 0 HFAAMO CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(-c3nc(-c4cccnc4)cc(=O)[nH]3)cc2)C1 ZINC000048276257 558843717 /nfs/dbraw/zinc/84/37/17/558843717.db2.gz VQGJKZJBDDDBGT-FQEVSTJZSA-N 1 1 403.486 2.552 50 0 HFAAMO CC(C)C(=O)N1C[C@H](C(=O)N2CC[NH+](C)CC2)[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000097954299 558865624 /nfs/dbraw/zinc/86/56/24/558865624.db2.gz DGWLOEFTGZKOAE-MSOLQXFVSA-N 1 1 411.468 2.677 50 0 HFAAMO CCc1nc2cccnc2n1CC[NH+]1CCN(C(=O)Nc2ccccc2OC)CC1 ZINC000033139813 558891627 /nfs/dbraw/zinc/89/16/27/558891627.db2.gz XJCFDKHZWGIYHE-UHFFFAOYSA-N 1 1 408.506 2.852 50 0 HFAAMO Cc1cc2c(ccnc2N2CCC[C@@H](C(=O)NCCC[NH+]3CCN(C)CC3)C2)s1 ZINC000033174071 558902358 /nfs/dbraw/zinc/90/23/58/558902358.db2.gz XUEZDSQLAKDWFT-GOSISDBHSA-N 1 1 415.607 2.575 50 0 HFAAMO O[C@@H]1CN(c2ncccc2Cl)CC[C@H]1[NH+]1CCN(CCc2ccccc2)CC1 ZINC000071764479 558910610 /nfs/dbraw/zinc/91/06/10/558910610.db2.gz ZQPKNCBMDBVPLV-NHCUHLMSSA-N 1 1 400.954 2.535 50 0 HFAAMO CCN(CC)C(=O)CCCC(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000058325255 558919606 /nfs/dbraw/zinc/91/96/06/558919606.db2.gz SYMDZOSYTIQVFU-KDURUIRLSA-N 1 1 403.567 2.951 50 0 HFAAMO NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2NC(=O)NC[C@@H]2Cc3ccccc3O2)C1 ZINC000058343520 558920693 /nfs/dbraw/zinc/92/06/93/558920693.db2.gz BXYHFSVTTLPZRP-OALUTQOASA-N 1 1 408.502 2.509 50 0 HFAAMO Cc1cc(C)cc(N(Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)S(C)(=O)=O)c1 ZINC000072119111 558927779 /nfs/dbraw/zinc/92/77/79/558927779.db2.gz GNLMCJGKJAKGRX-UHFFFAOYSA-N 1 1 415.559 2.657 50 0 HFAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)c2nnc(C(=O)Nc3ccc(F)cc3)s2)C1 ZINC000033060268 558954632 /nfs/dbraw/zinc/95/46/32/558954632.db2.gz RSIGFYWISJMAJM-ZDUSSCGKSA-N 1 1 405.499 2.781 50 0 HFAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)CCc1nnc(C(=O)Nc2ccc(F)cc2)s1 ZINC000033061964 558955669 /nfs/dbraw/zinc/95/56/69/558955669.db2.gz NZPDXMGNRRXTRV-AWEZNQCLSA-N 1 1 419.526 2.853 50 0 HFAAMO COc1cccc(CN2CCC[C@@]3(CC[N@H+](C4CCN(C)CC4)C3)C2=O)c1OC ZINC000072410951 558977766 /nfs/dbraw/zinc/97/77/66/558977766.db2.gz MDNUJCMXSOCPMP-QHCPKHFHSA-N 1 1 401.551 2.613 50 0 HFAAMO Cc1nc(N2CCN(C(=O)c3ccc4ccccc4c3)CC2)cc(N2CCOCC2)[nH+]1 ZINC000067604978 558988814 /nfs/dbraw/zinc/98/88/14/558988814.db2.gz HHGSFCDMUYVQMM-UHFFFAOYSA-N 1 1 417.513 2.737 50 0 HFAAMO O=C(NC1(CO)CCCCC1)[C@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082100099 559038055 /nfs/dbraw/zinc/03/80/55/559038055.db2.gz GPYIXQMXIDMGLA-NRFANRHFSA-N 1 1 414.594 2.569 50 0 HFAAMO O=C(NCC1(O)CCCCC1)[C@@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082121420 559039580 /nfs/dbraw/zinc/03/95/80/559039580.db2.gz LIUHDRGKAIEBMS-OAQYLSRUSA-N 1 1 414.594 2.569 50 0 HFAAMO O=C(CC1CCCC1)N1CCC([N@H+]2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000082167057 559042150 /nfs/dbraw/zinc/04/21/50/559042150.db2.gz GHCLIIOAIDRXBV-NRFANRHFSA-N 1 1 412.578 2.981 50 0 HFAAMO O=C(NCc1ncc[nH]1)[C@@H]1CCC[N@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000091988494 559074937 /nfs/dbraw/zinc/07/49/37/559074937.db2.gz HHUIWJPZJWBAJZ-MRXNPFEDSA-N 1 1 408.506 2.548 50 0 HFAAMO Cc1cccc(N2CC[NH+](CCC(=O)NCc3nc(-c4ccccc4)n[nH]3)CC2)c1 ZINC000095371307 559080262 /nfs/dbraw/zinc/08/02/62/559080262.db2.gz DOVWJBRRYWSXRH-UHFFFAOYSA-N 1 1 404.518 2.609 50 0 HFAAMO Cc1cccc(N2CC[NH+](CCC(=O)NCc3n[nH]c(-c4ccccc4)n3)CC2)c1 ZINC000095371307 559080264 /nfs/dbraw/zinc/08/02/64/559080264.db2.gz DOVWJBRRYWSXRH-UHFFFAOYSA-N 1 1 404.518 2.609 50 0 HFAAMO OCCC[C@@H]1C[N@@H+](Cc2cnc(-c3cccs3)nc2)CC[C@@H]1N1CCOCC1 ZINC000095370202 559080273 /nfs/dbraw/zinc/08/02/73/559080273.db2.gz OGDNCJCFONCBIA-MOPGFXCFSA-N 1 1 402.564 2.500 50 0 HFAAMO OCCC[C@@H]1CN(Cc2cnc(-c3cccs3)nc2)CC[C@@H]1[NH+]1CCOCC1 ZINC000095370202 559080275 /nfs/dbraw/zinc/08/02/75/559080275.db2.gz OGDNCJCFONCBIA-MOPGFXCFSA-N 1 1 402.564 2.500 50 0 HFAAMO COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)N2CCN[C@H](C)C2)c1 ZINC000095496505 559081415 /nfs/dbraw/zinc/08/14/15/559081415.db2.gz QLQOEIGVKRHCEM-QGZVFWFLSA-N 1 1 401.551 2.915 50 0 HFAAMO CN(CC(=O)Nc1ccn(C)n1)C[C@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000095529364 559086631 /nfs/dbraw/zinc/08/66/31/559086631.db2.gz KEXFEVSWSKORJN-GOSISDBHSA-N 1 1 403.958 2.899 50 0 HFAAMO CCCCOC(=O)c1ccc(N2C(=O)C[C@@H]([NH2+]Cc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000100616041 559136921 /nfs/dbraw/zinc/13/69/21/559136921.db2.gz FYKGBTQSEYXJRN-GOSISDBHSA-N 1 1 424.453 2.794 50 0 HFAAMO COc1ccc(CCNC(=O)C[N@@H+](C)CCc2ccc(OC)c(OC)c2)cc1OC ZINC000004866612 559193514 /nfs/dbraw/zinc/19/35/14/559193514.db2.gz KTJOFPCMNHNIRO-UHFFFAOYSA-N 1 1 416.518 2.554 50 0 HFAAMO CC[C@@H]1CCCC[N@@H+]1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cc(C)ccc1C ZINC000004930187 559209154 /nfs/dbraw/zinc/20/91/54/559209154.db2.gz SJSBZRVWAMWBMK-LJQANCHMSA-N 1 1 423.561 2.863 50 0 HFAAMO CC[C@@H]1CCCC[N@H+]1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cc(C)ccc1C ZINC000004930187 559209155 /nfs/dbraw/zinc/20/91/55/559209155.db2.gz SJSBZRVWAMWBMK-LJQANCHMSA-N 1 1 423.561 2.863 50 0 HFAAMO CC[C@H]1CCCC[N@H+]1CCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CCC1 ZINC000004971561 559220644 /nfs/dbraw/zinc/22/06/44/559220644.db2.gz YASRMUUFPVOXRN-IBGZPJMESA-N 1 1 419.591 2.919 50 0 HFAAMO CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2c2ccc(OC)cc2OC)C1 ZINC000248318250 559270526 /nfs/dbraw/zinc/27/05/26/559270526.db2.gz OELYAWOCRWTUDG-LPHOPBHVSA-N 1 1 404.507 2.642 50 0 HFAAMO CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+]2CCC[C@H]2c2ccc(OC)cc2OC)C1 ZINC000248318250 559270527 /nfs/dbraw/zinc/27/05/27/559270527.db2.gz OELYAWOCRWTUDG-LPHOPBHVSA-N 1 1 404.507 2.642 50 0 HFAAMO O=S(=O)(NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc2c(c1)CCCC2 ZINC000017333586 560709521 /nfs/dbraw/zinc/70/95/21/560709521.db2.gz RGJMLJVONJCVFN-UHFFFAOYSA-N 1 1 400.544 2.876 50 0 HFAAMO COc1ccccc1N1CC[NH+](Cc2coc(=O)c(C[NH+]3CCCCC3)c2[O-])CC1 ZINC000101374420 560793561 /nfs/dbraw/zinc/79/35/61/560793561.db2.gz PPRGRCNVDGDXRO-UHFFFAOYSA-N 1 1 413.518 2.662 50 0 HFAAMO COc1ccc([C@H](CNc2c(=O)c(=O)c2NCc2ccccn2)[NH+]2CCCC2)cc1 ZINC000101699427 560798393 /nfs/dbraw/zinc/79/83/93/560798393.db2.gz NWHHXSIGMXVZJZ-IBGZPJMESA-N 1 1 406.486 2.547 50 0 HFAAMO O=c1cc(C[NH+]2CCN(c3ccc(F)cc3)CC2)[nH]c2nc(-c3ccccc3)nn21 ZINC000101747140 560800119 /nfs/dbraw/zinc/80/01/19/560800119.db2.gz JADWSDKXDITJSV-UHFFFAOYSA-N 1 1 404.449 2.546 50 0 HFAAMO Cc1cccc(-c2nc3[nH]c(C[NH+]4CCN(c5ccccc5)CC4)cc(=O)n3n2)c1 ZINC000101748071 560800247 /nfs/dbraw/zinc/80/02/47/560800247.db2.gz KBOUABAEFOJBHG-UHFFFAOYSA-N 1 1 400.486 2.715 50 0 HFAAMO C[C@@H](C(=O)NCCC[N@H+]1CCCC[C@H]1C)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000106398639 560891181 /nfs/dbraw/zinc/89/11/81/560891181.db2.gz IYKGCPCNEAIARP-SJORKVTESA-N 1 1 409.534 2.830 50 0 HFAAMO Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000107174760 560895815 /nfs/dbraw/zinc/89/58/15/560895815.db2.gz QDMNMWPJLHBOTO-LYXWCMDISA-N 1 1 419.456 2.874 50 0 HFAAMO CCOC(=O)[C@@H]1[C@H](C[NH2+][C@@H](c2nccn2C)c2cc(OC)cc(OC)c2)C1(C)C ZINC000108390288 568418457 /nfs/dbraw/zinc/41/84/57/568418457.db2.gz NQTKECHZWBRCNF-GBESFXJTSA-N 1 1 401.507 2.952 50 0 HFAAMO CC[C@](C)(CNC(=O)Nc1cc(OC)c(C(=O)OC)cc1Cl)[NH+]1CCOCC1 ZINC000048113085 568432082 /nfs/dbraw/zinc/43/20/82/568432082.db2.gz GCBLGYMRSSYUAQ-LJQANCHMSA-N 1 1 413.902 2.758 50 0 HFAAMO O=C(C1=NN(Cc2ccccc2)C(=O)CC1)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000048260997 568433584 /nfs/dbraw/zinc/43/35/84/568433584.db2.gz YLXUVCZFQYLMPU-UHFFFAOYSA-N 1 1 410.543 2.961 50 0 HFAAMO COc1ccc(Cl)cc1N1C[C@H](C(=O)NC[C@@H](c2ccco2)[NH+](C)C)CC1=O ZINC000049944260 568453504 /nfs/dbraw/zinc/45/35/04/568453504.db2.gz OHQKDLHGYKQQOH-CJNGLKHVSA-N 1 1 405.882 2.714 50 0 HFAAMO C[C@H](NC(=O)C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)c1ccc2c(c1)OCO2 ZINC000012284500 568458179 /nfs/dbraw/zinc/45/81/79/568458179.db2.gz MGAZOXRGCDNTAJ-WMZOPIPTSA-N 1 1 409.486 2.943 50 0 HFAAMO O=C1NCCN1c1ccc([C@@H]2C[C@H]3CN(Cc4cccnc4)C(=O)[C@]34CCC[N@@H+]24)cc1 ZINC000012307673 568464714 /nfs/dbraw/zinc/46/47/14/568464714.db2.gz GEMJIAKVBXMBNI-PTLVVNQVSA-N 1 1 417.513 2.549 50 0 HFAAMO COc1ccc(COC[C@@H](O)C[NH+]2CCN(c3ccccc3F)CC2)cc1OC ZINC000019901534 568585477 /nfs/dbraw/zinc/58/54/77/568585477.db2.gz OVJWCPAKEGMWGY-SFHVURJKSA-N 1 1 404.482 2.543 50 0 HFAAMO Cc1cc2sc(N3CCC(C(=O)NCCC[NH+]4CCOCC4)CC3)nc2c(C)c1 ZINC000020383694 568602790 /nfs/dbraw/zinc/60/27/90/568602790.db2.gz HJIVYTXGPOMXHC-UHFFFAOYSA-N 1 1 416.591 2.968 50 0 HFAAMO COC(=O)[C@]1(NCC(=O)N[C@H](C)c2cccs2)CCC[N@H+](Cc2ccccc2)C1 ZINC000095454699 568616441 /nfs/dbraw/zinc/61/64/41/568616441.db2.gz HDBZUMKBZHPWLL-VGSWGCGISA-N 1 1 415.559 2.723 50 0 HFAAMO COC(=O)[C@]1(NCC(=O)N[C@H](C)c2cccs2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000095454699 568616442 /nfs/dbraw/zinc/61/64/42/568616442.db2.gz HDBZUMKBZHPWLL-VGSWGCGISA-N 1 1 415.559 2.723 50 0 HFAAMO C[NH+]1CCN([C@@H]2CCCCN(C(=O)Nc3ccc(N4CCSCC4)cc3)C2)CC1 ZINC000095454987 568616687 /nfs/dbraw/zinc/61/66/87/568616687.db2.gz FEYMUZBSZGXZSO-OAQYLSRUSA-N 1 1 417.623 2.874 50 0 HFAAMO CCC[C@H](NC(=O)Cn1c[nH+]c2c1CCCC2)C(=O)N1CCc2sccc2C1 ZINC000095465210 568623084 /nfs/dbraw/zinc/62/30/84/568623084.db2.gz QTLYLRLTTFAMPQ-KRWDZBQOSA-N 1 1 400.548 2.693 50 0 HFAAMO O=c1c2cccnc2[nH]c(=S)n1CC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000020618252 568638402 /nfs/dbraw/zinc/63/84/02/568638402.db2.gz IBBCDXXQCSKUMB-UHFFFAOYSA-N 1 1 401.923 2.556 50 0 HFAAMO C[NH+]1CCN(C(=O)CCCSc2ccc(NC(=O)c3ccc(F)cc3)nn2)CC1 ZINC000021149110 568672159 /nfs/dbraw/zinc/67/21/59/568672159.db2.gz MDWHKZFUJLPLGQ-UHFFFAOYSA-N 1 1 417.510 2.514 50 0 HFAAMO O=C(Nc1cccc(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c1)NC1CC1 ZINC000096007054 568683168 /nfs/dbraw/zinc/68/31/68/568683168.db2.gz HVUTYLVYAQLACY-JOCHJYFZSA-N 1 1 422.529 2.857 50 0 HFAAMO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@H+]2[C@@]32c3cc(C)ccc3NC2=O)cc1 ZINC000226917516 568698965 /nfs/dbraw/zinc/69/89/65/568698965.db2.gz KHJADHKTWFJFGG-VKDGWMQASA-N 1 1 401.466 2.735 50 0 HFAAMO COc1ccc(NCc2cccn2-c2nnc(N3CC[NH+](C)CC3)s2)cc1OC ZINC000021531662 568711018 /nfs/dbraw/zinc/71/10/18/568711018.db2.gz QKCIZEYOXJNTHO-UHFFFAOYSA-N 1 1 414.535 2.710 50 0 HFAAMO C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000096311009 568724446 /nfs/dbraw/zinc/72/44/46/568724446.db2.gz BPKXUMSTDSCEJM-SFHVURJKSA-N 1 1 414.575 2.730 50 0 HFAAMO CCN(CC)c1ncc2c(n1)CC[C@H](C(=O)NCC[N@H+]1CCc3ccccc3C1)C2 ZINC000096310534 568724461 /nfs/dbraw/zinc/72/44/61/568724461.db2.gz TWEFLZOALQTOIT-IBGZPJMESA-N 1 1 407.562 2.602 50 0 HFAAMO CCOc1ccccc1[C@@H]1NC(=O)NC(C[N@H+](C)Cc2ccccc2)=C1C(=O)OC ZINC000057415673 568834008 /nfs/dbraw/zinc/83/40/08/568834008.db2.gz XKDAEWDHIPQNKV-NRFANRHFSA-N 1 1 409.486 2.998 50 0 HFAAMO CCOc1ccccc1[C@@H]1NC(=O)NC(C[N@@H+](C)Cc2ccccc2)=C1C(=O)OC ZINC000057415673 568834010 /nfs/dbraw/zinc/83/40/10/568834010.db2.gz XKDAEWDHIPQNKV-NRFANRHFSA-N 1 1 409.486 2.998 50 0 HFAAMO COc1ccc(OCC[N@H+](C)[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)cc1 ZINC000012525051 568842659 /nfs/dbraw/zinc/84/26/59/568842659.db2.gz VYBXXAQEMWCURZ-GOSISDBHSA-N 1 1 413.518 2.870 50 0 HFAAMO COc1ccc(OCC[N@@H+](C)[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)cc1 ZINC000012525051 568842661 /nfs/dbraw/zinc/84/26/61/568842661.db2.gz VYBXXAQEMWCURZ-GOSISDBHSA-N 1 1 413.518 2.870 50 0 HFAAMO O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)N1CCN(c2ncccn2)CC1 ZINC000012569320 568861397 /nfs/dbraw/zinc/86/13/97/568861397.db2.gz JRZVAMCGEVSGSJ-UHFFFAOYSA-N 1 1 401.514 2.828 50 0 HFAAMO COC(=O)C[C@H](c1ccc(OC)c(O)c1)c1oc(C[NH+]2CCCCC2)cc(=O)c1O ZINC000217616648 568899057 /nfs/dbraw/zinc/89/90/57/568899057.db2.gz KMBFAEPGJWDSGH-MRXNPFEDSA-N 1 1 417.458 2.741 50 0 biogenic HFAAMO COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000004164336 568918574 /nfs/dbraw/zinc/91/85/74/568918574.db2.gz XZRGQPAYKFMQCE-IRXDYDNUSA-N 1 1 419.547 2.559 50 0 HFAAMO CCCS(=O)(=O)N1CCC[C@H](C(=O)NCCC[N@@H+](Cc2ccccc2)C(C)C)C1 ZINC000004115468 568944323 /nfs/dbraw/zinc/94/43/23/568944323.db2.gz ICFKWKHRQYLKFK-NRFANRHFSA-N 1 1 423.623 2.855 50 0 HFAAMO C[C@@H]1C[C@@H](C)C[NH+](Cc2nc3c(c(=O)n(C)c(=O)n3C)n2C/C=C/c2ccccc2)C1 ZINC000004314038 568961347 /nfs/dbraw/zinc/96/13/47/568961347.db2.gz DVZNEGHPWFZBIS-BBUPJTBGSA-N 1 1 421.545 2.625 50 0 HFAAMO Cc1ccc(NC(=O)CN(C)[C@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000012803818 568979445 /nfs/dbraw/zinc/97/94/45/568979445.db2.gz SVKIGEXRPWUYEL-HXUWFJFHSA-N 1 1 408.546 2.598 50 0 HFAAMO COc1ccc(CN2CCN(Cc3ccc(O)c(OC)c3)C[C@H]2CCO)cc1C ZINC000104532362 569009027 /nfs/dbraw/zinc/00/90/27/569009027.db2.gz SPYPDQOXFBCYJE-HXUWFJFHSA-N 1 1 400.519 2.787 50 0 HFAAMO CCOc1ccc(C[N@@H+]2CCN(Cc3ccc(O)c(OC)c3)C[C@H]2CCO)cc1 ZINC000105903231 569009180 /nfs/dbraw/zinc/00/91/80/569009180.db2.gz WOTGEHCSQZAPNI-HXUWFJFHSA-N 1 1 400.519 2.868 50 0 HFAAMO CCOc1ccc(C[N@H+]2CCN(Cc3ccc(O)c(OC)c3)C[C@H]2CCO)cc1 ZINC000105903231 569009181 /nfs/dbraw/zinc/00/91/81/569009181.db2.gz WOTGEHCSQZAPNI-HXUWFJFHSA-N 1 1 400.519 2.868 50 0 HFAAMO O=C(C[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCC1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000012913596 569022004 /nfs/dbraw/zinc/02/20/04/569022004.db2.gz DIXKEAWFTYTTKD-UHFFFAOYSA-N 1 1 408.458 2.968 50 0 HFAAMO C[N@@H+]1CCN(CCCNC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)[C@@H](c2ccccc2)C1 ZINC000229540799 569040528 /nfs/dbraw/zinc/04/05/28/569040528.db2.gz BLKBCYNOKZLOQH-FYYLOGMGSA-N 1 1 420.557 2.535 50 0 HFAAMO C[N@H+]1CCN(CCCNC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)[C@@H](c2ccccc2)C1 ZINC000229540799 569040529 /nfs/dbraw/zinc/04/05/29/569040529.db2.gz BLKBCYNOKZLOQH-FYYLOGMGSA-N 1 1 420.557 2.535 50 0 HFAAMO O=C(Cc1cc(-c2ccc3c(c2)OCCO3)on1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000035592790 569045468 /nfs/dbraw/zinc/04/54/68/569045468.db2.gz IKVFVZQDJBSCKX-UHFFFAOYSA-N 1 1 419.481 3.000 50 0 HFAAMO Cc1ccc2c(c1)C(=O)N(CCCC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1)C2=O ZINC000012983233 569047378 /nfs/dbraw/zinc/04/73/78/569047378.db2.gz KFLPQXAISUUMDM-NRFANRHFSA-N 1 1 405.498 2.887 50 0 HFAAMO Cc1ccc2c(c1)C(=O)N(CCCC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1)C2=O ZINC000012983233 569047379 /nfs/dbraw/zinc/04/73/79/569047379.db2.gz KFLPQXAISUUMDM-NRFANRHFSA-N 1 1 405.498 2.887 50 0 HFAAMO CCCCNC(=O)c1cnn2c1n(CC)c1c(c2=O)C[N@H+](Cc2ccccc2)CC1 ZINC000064835972 569104491 /nfs/dbraw/zinc/10/44/91/569104491.db2.gz XURGBCHMMJBPKM-UHFFFAOYSA-N 1 1 407.518 2.604 50 0 HFAAMO CCN(CC)C(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccccc2OC)CC1 ZINC000036250159 569119134 /nfs/dbraw/zinc/11/91/34/569119134.db2.gz GHFIHTMSABBBHG-OAQYLSRUSA-N 1 1 401.551 2.880 50 0 HFAAMO Cc1nc(C)c(Cc2ccccc2)c(N2CC[NH+](C[C@H](O)COCC(C)C)CC2)n1 ZINC000036340420 569141675 /nfs/dbraw/zinc/14/16/75/569141675.db2.gz DWKCMYOZCCDFMB-QFIPXVFZSA-N 1 1 412.578 2.840 50 0 HFAAMO Cc1cccc(-c2cnc(N3CCC(C(=O)NCCC[NH+]4CCOCC4)CC3)nc2)c1 ZINC000065023853 569155229 /nfs/dbraw/zinc/15/52/29/569155229.db2.gz VGEPWTXQQTYMHN-UHFFFAOYSA-N 1 1 423.561 2.507 50 0 HFAAMO CCCn1c2ccccc2c2cnn(CC(=O)NCCC[N@H+]3CCC[C@H](C)C3)c(=O)c21 ZINC000006900122 569176149 /nfs/dbraw/zinc/17/61/49/569176149.db2.gz GIUSTDSNRXEQOQ-SFHVURJKSA-N 1 1 423.561 2.999 50 0 HFAAMO COc1ccc(C(OC[C@H](O)C[NH2+]CCCN(C)C)c2ccc(OC)cc2)cc1 ZINC000006936624 569185054 /nfs/dbraw/zinc/18/50/54/569185054.db2.gz SUGBRHWHFZDEAO-HXUWFJFHSA-N 1 1 402.535 2.712 50 0 HFAAMO CCn1ccc(C(=O)N2CCN(c3nc(C[NH+]4CCC(C)CC4)cs3)CC2)n1 ZINC000065200612 569193773 /nfs/dbraw/zinc/19/37/73/569193773.db2.gz RHVJKIAEMDRWKF-UHFFFAOYSA-N 1 1 402.568 2.554 50 0 HFAAMO O=C(NCCC[NH+]1CCOCC1)[C@H]1CN(C(=O)c2cccs2)CC12CCCCC2 ZINC000065266235 569213111 /nfs/dbraw/zinc/21/31/11/569213111.db2.gz GSFJXODWRPHJQH-GOSISDBHSA-N 1 1 419.591 2.609 50 0 biogenic HFAAMO CCCn1c(C[N@H+]2CCCC[C@@H](COC)C2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000170597088 569241967 /nfs/dbraw/zinc/24/19/67/569241967.db2.gz PYIFVKHWSPMNQD-QGZVFWFLSA-N 1 1 422.595 2.945 50 0 HFAAMO COc1ccc(C)cc1NC(=O)C(=O)NCCC[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000017026219 569271900 /nfs/dbraw/zinc/27/19/00/569271900.db2.gz FZRMGVIFSKJWGN-NRFANRHFSA-N 1 1 411.502 2.522 50 0 HFAAMO COc1ccc(C)cc1NC(=O)C(=O)NCCC[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000017026219 569271901 /nfs/dbraw/zinc/27/19/01/569271901.db2.gz FZRMGVIFSKJWGN-NRFANRHFSA-N 1 1 411.502 2.522 50 0 HFAAMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NCc2ccc(NS(C)(=O)=O)cc2)C1 ZINC000054727924 569298469 /nfs/dbraw/zinc/29/84/69/569298469.db2.gz QDULDLDMRMMGPJ-IYBDPMFKSA-N 1 1 410.584 2.614 50 0 HFAAMO Cc1ccc(NC(=O)CN(C)CC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1 ZINC000007676506 569300168 /nfs/dbraw/zinc/30/01/68/569300168.db2.gz LLAADZBFJDMHKU-HXUWFJFHSA-N 1 1 408.546 2.771 50 0 HFAAMO Cc1ccncc1C(=O)N1CCC2(CC1)C[C@H](N1CC[NH+](CC(C)C)CC1)CCO2 ZINC000581820143 569320981 /nfs/dbraw/zinc/32/09/81/569320981.db2.gz UMZZNWDBXDHYJU-OAQYLSRUSA-N 1 1 414.594 2.817 50 0 HFAAMO COc1ccccc1CN1C[C@@H](C(=O)N(C)C[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1=O ZINC000253412624 569366649 /nfs/dbraw/zinc/36/66/49/569366649.db2.gz ROLNIKUSFKSQFW-SESVDKBCSA-N 1 1 413.562 2.767 50 0 biogenic HFAAMO CN(C)c1nc(N2CCN(CCN(C(=O)OC(C)(C)C)C(C)(C)C)CC2)cc[nH+]1 ZINC000253416037 569367195 /nfs/dbraw/zinc/36/71/95/569367195.db2.gz OJYKSBWVYAFTLE-UHFFFAOYSA-N 1 1 406.575 2.700 50 0 HFAAMO C[C@H](CNC(=O)C[C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1)C[NH+]1CCOCC1 ZINC000253428367 569368598 /nfs/dbraw/zinc/36/85/98/569368598.db2.gz CWWVGQXXOAFQRQ-QZTJIDSGSA-N 1 1 411.587 2.744 50 0 HFAAMO CCCN1CC[NH+]([C@@H](C)CCCN(C(=O)CNC(=O)CCC(C)C)C2CC2)CC1 ZINC000078950827 569422059 /nfs/dbraw/zinc/42/20/59/569422059.db2.gz BWAZSNJYRTZHAD-FQEVSTJZSA-N 1 1 408.631 2.726 50 0 HFAAMO Cc1cc(=O)c(C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)nn1-c1cccc(C(F)(F)F)c1 ZINC000079057434 569426053 /nfs/dbraw/zinc/42/60/53/569426053.db2.gz VPCSRBPMWHSJJO-SWLSCSKDSA-N 1 1 420.435 2.915 50 0 HFAAMO Cc1cc(=O)c(C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)nn1-c1cccc(C(F)(F)F)c1 ZINC000079057442 569426071 /nfs/dbraw/zinc/42/60/71/569426071.db2.gz VPCSRBPMWHSJJO-IUODEOHRSA-N 1 1 420.435 2.915 50 0 HFAAMO CC[C@H](C)[C@@H](NC(=O)[C@H]1Cc2ccccc2C[NH2+]1)C(=O)NCc1ccc(OC)cc1 ZINC000252346804 571048112 /nfs/dbraw/zinc/04/81/12/571048112.db2.gz DOMWJOMKBNBKDW-KNXBSLHKSA-N 1 1 409.530 2.557 50 0 HFAAMO CCC[NH+]1CCN(C(=O)c2sccc2N(C)S(=O)(=O)c2ccccc2)CC1 ZINC000067245554 571053958 /nfs/dbraw/zinc/05/39/58/571053958.db2.gz ZRDICUFBSIAIMM-UHFFFAOYSA-N 1 1 407.561 2.741 50 0 HFAAMO CCOC(=O)C1=C(C[NH+]2CCC(C)CC2)NC(=O)N[C@@H]1c1ccccc1OCC ZINC000067286795 571064958 /nfs/dbraw/zinc/06/49/58/571064958.db2.gz AVKUQQPAVJOEHQ-HXUWFJFHSA-N 1 1 401.507 2.988 50 0 HFAAMO CCOC(=O)C1=C(C[NH+]2CCCCC2)NC(=O)N[C@H]1c1ccc(OCC)c(OC)c1 ZINC000067286678 571065254 /nfs/dbraw/zinc/06/52/54/571065254.db2.gz PPVBIAZZWLFCOM-FQEVSTJZSA-N 1 1 417.506 2.751 50 0 HFAAMO CN(Cc1cccs1)C(=O)C[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000009388056 571254301 /nfs/dbraw/zinc/25/43/01/571254301.db2.gz BNJQUBTUOJTMTL-UHFFFAOYSA-N 1 1 415.515 2.786 50 0 HFAAMO COC(=O)c1ccc(S(=O)(=O)NCC[NH+]2CCC(c3cccs3)CC2)cc1 ZINC000077104223 571311724 /nfs/dbraw/zinc/31/17/24/571311724.db2.gz IFTVGZGUPMJAFV-UHFFFAOYSA-N 1 1 408.545 2.693 50 0 HFAAMO CC[C@@H]1C[N@@H+]2CC[C@]3(O)c4c(cccc4OC)N=C3[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC ZINC000013473311 291219355 /nfs/dbraw/zinc/21/93/55/291219355.db2.gz RYENLSMHLCNXJT-CYXFISRXSA-N 1 1 414.502 2.793 50 0 biogenic,in-vitro HFAAMO CC[C@@H]1C[N@H+]2CC[C@]3(O)c4c(cccc4OC)N=C3[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC ZINC000013473311 291219356 /nfs/dbraw/zinc/21/93/56/291219356.db2.gz RYENLSMHLCNXJT-CYXFISRXSA-N 1 1 414.502 2.793 50 0 biogenic,in-vitro HFAAMO CC(C)[C@@](C)(O)[C@@H]1CN(c2nc(-c3n[nH]c4ncccc43)c(F)cc2Cl)CC[NH2+]1 ZINC000095585814 132227059 /nfs/dbraw/zinc/22/70/59/132227059.db2.gz HXWARSZQGAFXJM-MGPUTAFESA-N 1 1 418.904 2.998 50 0 HFAAMO CCCC[N@@H+](CC)CCCNC(=O)[C@@H]1CCCN(c2ncnc3onc(C)c32)C1 ZINC000007004663 132322105 /nfs/dbraw/zinc/32/21/05/132322105.db2.gz TZLSJARNESOVRQ-QGZVFWFLSA-N 1 1 402.543 2.771 50 0 HFAAMO O=C(C[N@@H+]1CCc2sccc2[C@@H]1c1ccccc1)N1CCN(c2ncccn2)CC1 ZINC000009254633 132337674 /nfs/dbraw/zinc/33/76/74/132337674.db2.gz TVSJUBBIWWZKNQ-QFIPXVFZSA-N 1 1 419.554 2.834 50 0 HFAAMO O=C(C[N@H+]1CCc2sccc2[C@@H]1c1ccccc1)N1CCN(c2ncccn2)CC1 ZINC000009254633 132337676 /nfs/dbraw/zinc/33/76/76/132337676.db2.gz TVSJUBBIWWZKNQ-QFIPXVFZSA-N 1 1 419.554 2.834 50 0 HFAAMO C[C@H]([NH2+]CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21)c1ccc(Cl)cc1Cl ZINC000012853511 132367858 /nfs/dbraw/zinc/36/78/58/132367858.db2.gz AHMPCEAJPXPBAA-APPDUMDISA-N 1 1 408.285 2.924 50 0 HFAAMO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2c4ccccc4C=C[N@@H+]2[C@@H]3C(C)=O)cc1 ZINC000043727016 519759064 /nfs/dbraw/zinc/75/90/64/519759064.db2.gz BLDVLSVDADSBRM-MBDNFAEBSA-N 1 1 416.433 2.716 50 0 HFAAMO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2c4ccccc4C=C[N@H+]2[C@@H]3C(C)=O)cc1 ZINC000043727016 519759066 /nfs/dbraw/zinc/75/90/66/519759066.db2.gz BLDVLSVDADSBRM-MBDNFAEBSA-N 1 1 416.433 2.716 50 0 HFAAMO COc1ccc(C[NH2+]CCC2=CCCCC2)cc1OC[C@@H](O)CN1CCN(C)CC1 ZINC000020536215 524069610 /nfs/dbraw/zinc/06/96/10/524069610.db2.gz LXXHBLPKFICASK-QFIPXVFZSA-N 1 1 417.594 2.662 50 0 HFAAMO Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)Cn3c4ccccc4nc(C)c3=O)C2)cc1 ZINC000032974635 524467927 /nfs/dbraw/zinc/46/79/27/524467927.db2.gz VDKJRIDVRCHYPV-FQEVSTJZSA-N 1 1 404.514 2.652 50 0 HFAAMO Cc1c(C(=O)N(C)CC(C)C)sc2ncnc(NCCC[NH+]3CCOCC3)c12 ZINC000020598351 525554044 /nfs/dbraw/zinc/55/40/44/525554044.db2.gz JYYOAKVPRBWWRL-UHFFFAOYSA-N 1 1 405.568 2.862 50 0 HFAAMO C[C@@H](Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000032810975 525714811 /nfs/dbraw/zinc/71/48/11/525714811.db2.gz HDDBCHSFPLAUQF-IAGOWNOFSA-N 1 1 408.502 2.551 50 0 HFAAMO O=C(COc1cccc(Br)c1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000029714540 526974989 /nfs/dbraw/zinc/97/49/89/526974989.db2.gz VYJGEBOPGHYCJR-UHFFFAOYSA-N 1 1 419.319 2.977 50 0 HFAAMO CCCN(CCC)C(=O)c1coc(CN2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1 ZINC000034677633 557365704 /nfs/dbraw/zinc/36/57/04/557365704.db2.gz WZWUQTSSXSLWFB-OAQYLSRUSA-N 1 1 414.550 2.788 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406.530 2.914 50 0 HFAAMO Cc1cccn2c(C[N@H+]3CCC[C@@H](O)C3)c(C(=O)N(C)CCc3ccccc3)nc12 ZINC000019113056 558841923 /nfs/dbraw/zinc/84/19/23/558841923.db2.gz IKLFADLXHJFBAE-HXUWFJFHSA-N 1 1 406.530 2.914 50 0 HFAAMO CC[NH+]1CCC(C(=O)N2CCC[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2)CC1 ZINC000055091095 558871969 /nfs/dbraw/zinc/87/19/69/558871969.db2.gz DHEYFJQRGSMLME-JOCHJYFZSA-N 1 1 402.558 2.671 50 0 HFAAMO CCc1nc(C)c(CN2CC[N@@H+](Cc3ccc(OC)c(C)c3C)[C@H](CCO)C2)[nH]1 ZINC000055255340 558877934 /nfs/dbraw/zinc/87/79/34/558877934.db2.gz GCIHNWYLRCFDIW-HXUWFJFHSA-N 1 1 400.567 2.975 50 0 HFAAMO CCCc1cc(C(=O)N2CCC[C@H]([NH+]3CCN(c4ccccc4F)CC3)C2)n(C)n1 ZINC000055342413 558879732 /nfs/dbraw/zinc/87/97/32/558879732.db2.gz YWIAHWZNHUKPOU-IBGZPJMESA-N 1 1 413.541 2.939 50 0 HFAAMO CCC[NH+]1CCN(C(=O)c2cnn(-c3nccc(-c4cccc(OC)c4)n3)c2C)CC1 ZINC000055358100 558879877 /nfs/dbraw/zinc/87/98/77/558879877.db2.gz HVQSKIOOXMKSSX-UHFFFAOYSA-N 1 1 420.517 2.814 50 0 HFAAMO COC(=O)c1cn(CC(=O)NC[C@@H](c2ccccc2OC)[NH+](C)C)c2ccccc12 ZINC000058132818 558900648 /nfs/dbraw/zinc/90/06/48/558900648.db2.gz LHEZSSSFSRQJBU-FQEVSTJZSA-N 1 1 409.486 2.856 50 0 HFAAMO O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@@H+](CCCN2CCCC2=O)C1 ZINC000058179512 558910066 /nfs/dbraw/zinc/91/00/66/558910066.db2.gz IONWAIRYGPLRSG-CQSZACIVSA-N 1 1 409.328 2.507 50 0 HFAAMO O=C(Nc1ccc2ccccc2c1)N1CCN(c2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC000072115583 558926708 /nfs/dbraw/zinc/92/67/08/558926708.db2.gz JQMRMERXTSUWBL-UHFFFAOYSA-N 1 1 418.501 2.821 50 0 HFAAMO CCNc1cc(N2CCN(C(=O)Nc3ccc(OC)cc3OC)CC2)[nH+]c(C)n1 ZINC000072433949 558979688 /nfs/dbraw/zinc/97/96/88/558979688.db2.gz MGGFFGYKXWGLAG-UHFFFAOYSA-N 1 1 400.483 2.588 50 0 HFAAMO O=C(NCCN1CCOCC1)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000067621332 558989721 /nfs/dbraw/zinc/98/97/21/558989721.db2.gz JSBYGYXAFBJPQN-UHFFFAOYSA-N 1 1 400.350 2.654 50 0 HFAAMO COc1ccc(F)c(CN2CCC[C@@](O)(C[N@@H+](C)CCc3ccccc3)C2=O)c1 ZINC000067694904 558991747 /nfs/dbraw/zinc/99/17/47/558991747.db2.gz YNNYFQGXVSGKFK-HSZRJFAPSA-N 1 1 400.494 2.862 50 0 HFAAMO O=C1c2ccccc2C(=O)N1CCN1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000096833084 558993734 /nfs/dbraw/zinc/99/37/34/558993734.db2.gz SUXGJLFBWZOYKP-UHFFFAOYSA-N 1 1 413.905 2.633 50 0 HFAAMO C[C@@H](Cn1cncn1)NC(=O)c1cc(C[NH+]2CCC(Cc3ccccc3)CC2)on1 ZINC000067872399 558994198 /nfs/dbraw/zinc/99/41/98/558994198.db2.gz YZTDPKQVMIROEH-KRWDZBQOSA-N 1 1 408.506 2.539 50 0 HFAAMO Cc1ccc(C[N@@H+](C)Cc2ccc(C(=O)NCc3ccc4c(c3)OCO4)c(=O)[nH]2)o1 ZINC000077555064 559009162 /nfs/dbraw/zinc/00/91/62/559009162.db2.gz OGQGJFOENHNXRP-UHFFFAOYSA-N 1 1 409.442 2.567 50 0 HFAAMO Cc1ccc(C[N@H+](C)Cc2ccc(C(=O)NCc3ccc4c(c3)OCO4)c(=O)[nH]2)o1 ZINC000077555064 559009163 /nfs/dbraw/zinc/00/91/63/559009163.db2.gz OGQGJFOENHNXRP-UHFFFAOYSA-N 1 1 409.442 2.567 50 0 HFAAMO Cc1cccc(CN2CCC([N@H+]3CCC[C@@H](C(=O)NCc4cccnc4)C3)CC2)n1 ZINC000082099072 559037835 /nfs/dbraw/zinc/03/78/35/559037835.db2.gz IQOZAZQSQJIFPJ-OAQYLSRUSA-N 1 1 407.562 2.778 50 0 HFAAMO Cc1cccc(CN2CCC([N@H+]3CCC[C@H](C(=O)NCc4cccnc4)C3)CC2)n1 ZINC000082099070 559037839 /nfs/dbraw/zinc/03/78/39/559037839.db2.gz IQOZAZQSQJIFPJ-NRFANRHFSA-N 1 1 407.562 2.778 50 0 HFAAMO CC(C)(CO)CNC(=O)[C@H]1CCC[N@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000082120407 559039377 /nfs/dbraw/zinc/03/93/77/559039377.db2.gz VCRHAZIQRICIKR-KRWDZBQOSA-N 1 1 414.550 2.643 50 0 HFAAMO O=C(NCc1cccnc1)[C@H]1CCC[N@H+](C2CCN(C(=O)C3CCCCC3)CC2)C1 ZINC000082137339 559040487 /nfs/dbraw/zinc/04/04/87/559040487.db2.gz MFSDTUGOBSDSBX-NRFANRHFSA-N 1 1 412.578 2.981 50 0 HFAAMO COCCN(C)C(=O)[C@@H]1CCC[N@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000082138576 559040642 /nfs/dbraw/zinc/04/06/42/559040642.db2.gz LFLWENCGVXTOHM-QGZVFWFLSA-N 1 1 400.523 2.613 50 0 HFAAMO Cc1nc2cccnc2n1CC[NH+]1CCN(C(=O)Nc2cc(F)ccc2F)CC1 ZINC000033282062 559044970 /nfs/dbraw/zinc/04/49/70/559044970.db2.gz PUJLBMQCGIFYDS-UHFFFAOYSA-N 1 1 400.433 2.868 50 0 HFAAMO Cc1scnc1C(=O)N1CCC(c2nnc(C[NH+]3CCCCCC3)n2C)CC1 ZINC000096161715 559100924 /nfs/dbraw/zinc/10/09/24/559100924.db2.gz MJIFXXKMBWLBDY-UHFFFAOYSA-N 1 1 402.568 2.976 50 0 HFAAMO Cc1ccc(-n2nnnc2SCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC000014248057 559162008 /nfs/dbraw/zinc/16/20/08/559162008.db2.gz RANCBOUSKWVRMS-LJQANCHMSA-N 1 1 422.558 2.762 50 0 HFAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)CCCn2ncn3c4ccoc4cc3c2=O)C1 ZINC000005135738 559250659 /nfs/dbraw/zinc/25/06/59/559250659.db2.gz WPOCQWAKDCPNLT-CALCHBBNSA-N 1 1 413.522 2.507 50 0 HFAAMO Cc1nn([C@@H](C)C(=O)NCCC[N@@H+](C)C2CCCCC2)c(=O)c2cc3occc3n21 ZINC000005149579 559253274 /nfs/dbraw/zinc/25/32/74/559253274.db2.gz NYXKTZKFGLPIOE-HNNXBMFYSA-N 1 1 413.522 2.882 50 0 HFAAMO CCC(=O)Nc1ccc(S(=O)(=O)NC[C@H](c2cccn2C)[NH+]2CCCC2)c(C)c1 ZINC000011846960 559261964 /nfs/dbraw/zinc/26/19/64/559261964.db2.gz ZYVSJQQTTKNMGJ-LJQANCHMSA-N 1 1 418.563 2.797 50 0 HFAAMO CCCC[C@H]1CN(CC(=O)NC[C@@H]2CC[N@@H+](CCOC)C2)Cc2ccccc2O1 ZINC000011870513 559264623 /nfs/dbraw/zinc/26/46/23/559264623.db2.gz OSFLDXAZVINGPV-FPOVZHCZSA-N 1 1 403.567 2.524 50 0 HFAAMO CCCC[C@@H]1CN(CC(=O)NC[C@@H]2CC[N@@H+](CCOC)C2)Cc2ccccc2O1 ZINC000011870510 559264690 /nfs/dbraw/zinc/26/46/90/559264690.db2.gz OSFLDXAZVINGPV-PZJWPPBQSA-N 1 1 403.567 2.524 50 0 HFAAMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000106088137 560884637 /nfs/dbraw/zinc/88/46/37/560884637.db2.gz CRDNOLRBJKWPSQ-AZUAARDMSA-N 1 1 407.580 2.611 50 0 HFAAMO CC(C)Oc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)OCO3)[NH+](C)C)cc1 ZINC000012196933 560891517 /nfs/dbraw/zinc/89/15/17/560891517.db2.gz QDMGWPAYGUZDQA-GOSISDBHSA-N 1 1 406.504 2.784 50 0 HFAAMO O=C(NCc1ccco1)C(=O)NC[C@H](c1cccs1)[N@@H+]1CCc2ccccc2C1 ZINC000022908105 568416260 /nfs/dbraw/zinc/41/62/60/568416260.db2.gz LVTWCUPVWYYALC-LJQANCHMSA-N 1 1 409.511 2.873 50 0 HFAAMO O=C(NCc1ccco1)C(=O)NC[C@H](c1cccs1)[N@H+]1CCc2ccccc2C1 ZINC000022908105 568416261 /nfs/dbraw/zinc/41/62/61/568416261.db2.gz LVTWCUPVWYYALC-LJQANCHMSA-N 1 1 409.511 2.873 50 0 HFAAMO O=C(NC[C@@H]1CCCN(Cc2cnc(-c3ccc(Cl)cc3)nc2)C1)[C@H]1CCC[NH2+]1 ZINC000108460472 568419021 /nfs/dbraw/zinc/41/90/21/568419021.db2.gz RPDGSOZTXCSYJL-OXJNMPFZSA-N 1 1 413.953 2.877 50 0 HFAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)Cn3nnc4ccccc4c3=O)cc2)C1 ZINC000048310398 568436712 /nfs/dbraw/zinc/43/67/12/568436712.db2.gz PAHHBPXJRMMJMJ-HDICACEKSA-N 1 1 419.529 2.586 50 0 HFAAMO Cc1csc2nc(C[NH+]3CCC(NC(=O)CCc4ccccc4)CC3)cc(=O)n12 ZINC000048302870 568437829 /nfs/dbraw/zinc/43/78/29/568437829.db2.gz KQDLVQXALSCUDL-UHFFFAOYSA-N 1 1 410.543 2.778 50 0 HFAAMO COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)C[N@@H+](C)[C@H](C)C1CC1 ZINC000048343478 568440653 /nfs/dbraw/zinc/44/06/53/568440653.db2.gz APTADKGSDGCDKE-MRXNPFEDSA-N 1 1 423.579 2.929 50 0 HFAAMO CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H](C(C)=O)[N@H+]4C=Cc5ccccc5[C@@H]4[C@H]3C2=O)cc1 ZINC000033757196 568522476 /nfs/dbraw/zinc/52/24/76/568522476.db2.gz BLDVLSVDADSBRM-CLAROIROSA-N 1 1 416.433 2.716 50 0 HFAAMO CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H](C(C)=O)[N@@H+]4C=Cc5ccccc5[C@@H]4[C@H]3C2=O)cc1 ZINC000033757196 568522477 /nfs/dbraw/zinc/52/24/77/568522477.db2.gz BLDVLSVDADSBRM-CLAROIROSA-N 1 1 416.433 2.716 50 0 HFAAMO C[C@@H]1C[C@@](O)([Si](c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](C)C[N@H+]1C ZINC000224777791 568596479 /nfs/dbraw/zinc/59/64/79/568596479.db2.gz URNGAGFSEVYAOW-VVZHRXSXSA-N 1 1 401.626 2.787 50 0 HFAAMO CC(C)c1cc(C(=O)OCC(=O)N2CCO[C@H]3CCCC[C@@H]32)nn1-c1cc[nH+]cc1 ZINC000095431970 568609086 /nfs/dbraw/zinc/60/90/86/568609086.db2.gz UKBINMDQQDPLLM-ICSRJNTNSA-N 1 1 412.490 2.718 50 0 HFAAMO CN(C)c1cccc(Cl)c1C[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000095450134 568614106 /nfs/dbraw/zinc/61/41/06/568614106.db2.gz RWRVOCPANACEIO-UHFFFAOYSA-N 1 1 423.966 2.717 50 0 HFAAMO Cc1c(C)c2c(OCC(=O)N3CC[NH+](C)CC3)cc3c(c2oc1=O)CCC(C)(C)O3 ZINC000020760162 568642092 /nfs/dbraw/zinc/64/20/92/568642092.db2.gz BVLWZOUIDOXPER-UHFFFAOYSA-N 1 1 414.502 2.666 50 0 biogenic HFAAMO CC(C)(C)OC(=O)NC[C@H](Cc1cccnc1)C[N@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000225514022 568645513 /nfs/dbraw/zinc/64/55/13/568645513.db2.gz GZLMZPRBQWCIEA-MJGOQNOKSA-N 1 1 404.555 2.743 50 0 HFAAMO C[N@@H+]1CC=C(c2noc(CCC(=O)N3CCN(c4ccc(Cl)cc4)CC3)n2)CC1 ZINC000020901765 568650089 /nfs/dbraw/zinc/65/00/89/568650089.db2.gz ODAVJAAAKWHZTH-UHFFFAOYSA-N 1 1 415.925 2.723 50 0 HFAAMO O=C1N[C@]2(CCOc3ccccc32)C(=O)N1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000225827335 568678481 /nfs/dbraw/zinc/67/84/81/568678481.db2.gz ZDWAIQFVARNWRI-CYFREDJKSA-N 1 1 421.497 2.507 50 0 HFAAMO COCC(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)C1 ZINC000096000150 568680886 /nfs/dbraw/zinc/68/08/86/568680886.db2.gz OLFUDGOCDIOBKB-ZDUSSCGKSA-N 1 1 402.886 2.675 50 0 HFAAMO COCC(=O)Nc1c[nH]nc1[C@H]1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)C1 ZINC000096000150 568680887 /nfs/dbraw/zinc/68/08/87/568680887.db2.gz OLFUDGOCDIOBKB-ZDUSSCGKSA-N 1 1 402.886 2.675 50 0 HFAAMO CCCCNC(=O)C1CC[NH+](Cc2nc(-c3ccc(OC)c(OC)c3)no2)CC1 ZINC000021880548 568757130 /nfs/dbraw/zinc/75/71/30/568757130.db2.gz ZKIPXVYLUKRSEV-UHFFFAOYSA-N 1 1 402.495 2.882 50 0 HFAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)Cn1nnc(-c2ccccc2C)n1 ZINC000000970048 568758718 /nfs/dbraw/zinc/75/87/18/568758718.db2.gz LYLUJBCWPARIDH-FPOVZHCZSA-N 1 1 402.502 2.791 50 0 HFAAMO CC[NH+]1CCN(C(=O)c2nc(-c3cc(OC)c(OC)c(OC)c3)sc2C)CC1 ZINC000055402533 568774335 /nfs/dbraw/zinc/77/43/35/568774335.db2.gz SFYOCJZBXJDZAV-UHFFFAOYSA-N 1 1 405.520 2.922 50 0 HFAAMO CCn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)N2CC[NH+](C)CC2)c1=O ZINC000055408895 568774475 /nfs/dbraw/zinc/77/44/75/568774475.db2.gz GPIGNQPHKHSKJN-UHFFFAOYSA-N 1 1 402.498 2.985 50 0 HFAAMO CC(C)[C@@H](CNC(=O)c1cccc(NS(C)(=O)=O)c1)[N@H+]1CCc2ccccc2C1 ZINC000025539088 568775278 /nfs/dbraw/zinc/77/52/78/568775278.db2.gz ALHUZNVEFKTQCC-OAQYLSRUSA-N 1 1 415.559 2.871 50 0 HFAAMO COc1ccc(OCC[N@H+](C)[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)cc1 ZINC000012525050 568842606 /nfs/dbraw/zinc/84/26/06/568842606.db2.gz VYBXXAQEMWCURZ-SFHVURJKSA-N 1 1 413.518 2.870 50 0 HFAAMO COc1ccc(OCC[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)cc1 ZINC000012525050 568842608 /nfs/dbraw/zinc/84/26/08/568842608.db2.gz VYBXXAQEMWCURZ-SFHVURJKSA-N 1 1 413.518 2.870 50 0 HFAAMO CC(C)Oc1ccc2nnc(CCCC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@@H]34)n2n1 ZINC000230204193 568854994 /nfs/dbraw/zinc/85/49/94/568854994.db2.gz UTZHZDDMODZSPY-ROUUACIJSA-N 1 1 414.554 2.615 50 0 biogenic HFAAMO CC[C@H]1C[N@@H+](CC(C)(C)O)[C@@H](CC)CN1CC(=O)Nc1cc(OC)cc(OC)c1 ZINC000230245769 568856511 /nfs/dbraw/zinc/85/65/11/568856511.db2.gz AYBBIUXAAWOESG-ROUUACIJSA-N 1 1 407.555 2.588 50 0 HFAAMO O=C(C[NH2+]C(c1ccccc1)c1ccccc1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000057868878 568864370 /nfs/dbraw/zinc/86/43/70/568864370.db2.gz GAAZTBUPGBTXBJ-UHFFFAOYSA-N 1 1 406.486 2.652 50 0 HFAAMO COc1cc(=O)n2c(c1C(=O)N1CCCC1)CC[N@@H+](C/C=C/c1ccccc1)CC2 ZINC000299800909 568876663 /nfs/dbraw/zinc/87/66/63/568876663.db2.gz JLNWECALFGYFJC-JXMROGBWSA-N 1 1 407.514 2.664 50 0 HFAAMO COc1cc(=O)n2c(c1C(=O)N1CCCC1)CC[N@H+](C/C=C/c1ccccc1)CC2 ZINC000299800909 568876665 /nfs/dbraw/zinc/87/66/65/568876665.db2.gz JLNWECALFGYFJC-JXMROGBWSA-N 1 1 407.514 2.664 50 0 HFAAMO NC(=O)c1ccc(CNC(=O)C2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)cc1 ZINC000058167586 568895377 /nfs/dbraw/zinc/89/53/77/568895377.db2.gz CWYLBZOTNLQXTJ-UHFFFAOYSA-N 1 1 418.497 2.969 50 0 HFAAMO CN(C)S(=O)(=O)c1ccc(NC(=O)C[N@@H+](C)[C@H]2CCCc3ccccc32)cc1 ZINC000007988366 568965851 /nfs/dbraw/zinc/96/58/51/568965851.db2.gz LRIQPEJXNKRBAN-FQEVSTJZSA-N 1 1 401.532 2.885 50 0 HFAAMO CC(C)[NH+]1CCC(N2CC[N@H+](C3CCN(c4ccccc4)CC3)C[C@H]2CCO)CC1 ZINC000104628172 569008978 /nfs/dbraw/zinc/00/89/78/569008978.db2.gz HBFSNTJTUBYXHF-RUZDIDTESA-N 1 1 414.638 2.897 50 0 HFAAMO Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@H+]4[C@@]4(c5cc(C)ccc5NC4=O)[C@H]3C2=O)cc1 ZINC000245242219 569055301 /nfs/dbraw/zinc/05/53/01/569055301.db2.gz KHJADHKTWFJFGG-SMOZNVCYSA-N 1 1 401.466 2.735 50 0 HFAAMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)O1 ZINC000089496984 569061184 /nfs/dbraw/zinc/06/11/84/569061184.db2.gz QFWMOFUHPGYHGQ-MISYRCLQSA-N 1 1 417.550 2.792 50 0 HFAAMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)O1 ZINC000089496984 569061185 /nfs/dbraw/zinc/06/11/85/569061185.db2.gz QFWMOFUHPGYHGQ-MISYRCLQSA-N 1 1 417.550 2.792 50 0 HFAAMO COc1ccccc1N1CC[NH+](C[C@@H]2CN(C(=O)c3ccccc3C)CCO2)CC1 ZINC000035863672 569063233 /nfs/dbraw/zinc/06/32/33/569063233.db2.gz PHAQKENYAAOLAA-HXUWFJFHSA-N 1 1 409.530 2.667 50 0 HFAAMO CCCCC(=O)N1CCCN(c2nc(C[N@H+](C)Cc3ccccc3)cc(=O)[nH]2)CC1 ZINC000035926500 569066399 /nfs/dbraw/zinc/06/63/99/569066399.db2.gz XSEGHDVUQARGSW-UHFFFAOYSA-N 1 1 411.550 2.631 50 0 HFAAMO CCCCC(=O)N1CCCN(c2nc(C[N@@H+](C)Cc3ccccc3)cc(=O)[nH]2)CC1 ZINC000035926500 569066400 /nfs/dbraw/zinc/06/64/00/569066400.db2.gz XSEGHDVUQARGSW-UHFFFAOYSA-N 1 1 411.550 2.631 50 0 HFAAMO COc1cccc(C[N@H+]2CCC[C@@]3(CCN(c4ncccc4C(N)=O)C3)C2)c1OC ZINC000426677924 569073845 /nfs/dbraw/zinc/07/38/45/569073845.db2.gz GKIUJBYJDXBLGL-HSZRJFAPSA-N 1 1 410.518 2.690 50 0 HFAAMO CCC[N@H+](Cc1c(-c2ccccc2)noc1N1CCOCC1)C[C@H](O)COCC ZINC000036151078 569100475 /nfs/dbraw/zinc/10/04/75/569100475.db2.gz ZKTBMICFAZJBFS-IBGZPJMESA-N 1 1 403.523 2.788 50 0 HFAAMO CC(=O)N1c2ccc(S(=O)(=O)N3CC[NH+](C4CCCCC4)CC3)cc2C[C@H]1C ZINC000036159960 569102713 /nfs/dbraw/zinc/10/27/13/569102713.db2.gz TYOXUVHTQVPWAB-MRXNPFEDSA-N 1 1 405.564 2.623 50 0 HFAAMO Cc1nn(CC(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c(=O)c2cc3sccc3n21 ZINC000006749383 569109140 /nfs/dbraw/zinc/10/91/40/569109140.db2.gz QFQCBWRZVAMLNI-GASCZTMLSA-N 1 1 415.563 2.503 50 0 HFAAMO CCCN(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)C(=O)COC ZINC000036312203 569132781 /nfs/dbraw/zinc/13/27/81/569132781.db2.gz FVILIPMJSQKEOJ-UHFFFAOYSA-N 1 1 404.486 2.618 50 0 HFAAMO CCCC[N@@H+](CC)CCNC(=O)Cn1ncc2c3ccccc3n(CCC)c2c1=O ZINC000006900011 569176082 /nfs/dbraw/zinc/17/60/82/569176082.db2.gz SHXHTKMDPVIUFC-UHFFFAOYSA-N 1 1 411.550 2.999 50 0 HFAAMO CCc1nc2c(c(=O)n1CC(=O)NC1CCCCC1)C[N@@H+](Cc1ccccc1)CC2 ZINC000065153490 569187509 /nfs/dbraw/zinc/18/75/09/569187509.db2.gz ARVPHSPPHGEPHB-UHFFFAOYSA-N 1 1 408.546 2.813 50 0 HFAAMO CCc1nc2cc(N3CCC(C(=O)N4CCC[N@@H+](C)CC4)CC3)cnc2nc1CC ZINC000065227504 569200321 /nfs/dbraw/zinc/20/03/21/569200321.db2.gz AOSYVOMWLHQFMI-UHFFFAOYSA-N 1 1 410.566 2.530 50 0 HFAAMO O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000036589823 569204287 /nfs/dbraw/zinc/20/42/87/569204287.db2.gz AOESKLUPLRWUTH-HXUWFJFHSA-N 1 1 406.486 2.511 50 0 HFAAMO O=C(CN1N=C(c2ccccc2)CCC1=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000004688143 569255516 /nfs/dbraw/zinc/25/55/16/569255516.db2.gz OKZBRMNNTXNDTN-UHFFFAOYSA-N 1 1 404.514 2.578 50 0 HFAAMO C[C@@H](CC(C)(C)c1ccccc1)NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000089894794 569267790 /nfs/dbraw/zinc/26/77/90/569267790.db2.gz FKCNPYGILXNJTE-FPOVZHCZSA-N 1 1 415.578 2.572 50 0 HFAAMO COc1ccccc1[C@H](C)[NH2+][C@H](C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000089909810 569268271 /nfs/dbraw/zinc/26/82/71/569268271.db2.gz XIIWRGFDHZKTKR-NWDGAFQWSA-N 1 1 409.408 2.907 50 0 HFAAMO CCOC(=O)CCN(C[C@H]1CCC[N@H+]1CC)C(=O)CCc1nc(C(C)(C)C)no1 ZINC000089977217 569270416 /nfs/dbraw/zinc/27/04/16/569270416.db2.gz YJYREDMTHNNESK-MRXNPFEDSA-N 1 1 408.543 2.566 50 0 HFAAMO O=C(NCCCC[N@@H+]1CCO[C@@H](c2ccccc2)C1)C(=O)NC1CCCCCC1 ZINC000017178427 569276284 /nfs/dbraw/zinc/27/62/84/569276284.db2.gz OKJDXYZKQKOUON-OAQYLSRUSA-N 1 1 401.551 2.795 50 0 HFAAMO O=C(NCCCC[N@H+]1CCO[C@@H](c2ccccc2)C1)C(=O)NC1CCCCCC1 ZINC000017178427 569276285 /nfs/dbraw/zinc/27/62/85/569276285.db2.gz OKJDXYZKQKOUON-OAQYLSRUSA-N 1 1 401.551 2.795 50 0 HFAAMO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2NC(=O)NC[C@H]2Cc3ccccc3O2)C1 ZINC000252458359 569286576 /nfs/dbraw/zinc/28/65/76/569286576.db2.gz BXYHFSVTTLPZRP-RTBURBONSA-N 1 1 408.502 2.509 50 0 HFAAMO O=C(CN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)Nc1ccc(N2CCCC2)cc1 ZINC000252584940 569294516 /nfs/dbraw/zinc/29/45/16/569294516.db2.gz DXRXGRWYXJHXMC-ZJSXRUAMSA-N 1 1 422.573 2.698 50 0 HFAAMO O=C(C[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO)Nc1ccc(N2CCCC2)cc1 ZINC000252584940 569294517 /nfs/dbraw/zinc/29/45/17/569294517.db2.gz DXRXGRWYXJHXMC-ZJSXRUAMSA-N 1 1 422.573 2.698 50 0 HFAAMO COC(=O)c1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1 ZINC000040018043 571139008 /nfs/dbraw/zinc/13/90/08/571139008.db2.gz XEHVGTSCNJTDLS-ICSRJNTNSA-N 1 1 412.486 2.564 50 0 HFAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000040115558 571173357 /nfs/dbraw/zinc/17/33/57/571173357.db2.gz NMBZJTUCMYZPGD-MRXNPFEDSA-N 1 1 415.519 2.838 50 0 HFAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000040115558 571173360 /nfs/dbraw/zinc/17/33/60/571173360.db2.gz NMBZJTUCMYZPGD-MRXNPFEDSA-N 1 1 415.519 2.838 50 0 HFAAMO O=C(Nc1ccccc1)[C@@H]1CCC[N@H+](Cc2ccc(S(=O)(=O)N3CCCC3)o2)C1 ZINC000040153736 571201158 /nfs/dbraw/zinc/20/11/58/571201158.db2.gz LEZNXBPPTSYTIL-QGZVFWFLSA-N 1 1 417.531 2.915 50 0 HFAAMO O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccc(S(=O)(=O)N3CCCC3)o2)C1 ZINC000040153736 571201160 /nfs/dbraw/zinc/20/11/60/571201160.db2.gz LEZNXBPPTSYTIL-QGZVFWFLSA-N 1 1 417.531 2.915 50 0 HFAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000035261157 571316651 /nfs/dbraw/zinc/31/66/51/571316651.db2.gz YWZNYNJDQGSVGC-HNNXBMFYSA-N 1 1 413.971 2.729 50 0 HFAAMO C[NH+]1CCN(c2ncnc3c2sc2nc(N4CCOCC4)c4c(c23)CCCC4)CC1 ZINC000002389249 132253844 /nfs/dbraw/zinc/25/38/44/132253844.db2.gz NCRUDIIBHYNRQT-UHFFFAOYSA-N 1 1 424.574 2.707 50 0 HFAAMO CN1CCN(c2ccc(C(=O)N[C@H]3CCC[N@H+](CCc4ccccc4)C3)cc2)CC1 ZINC000012449443 132360884 /nfs/dbraw/zinc/36/08/84/132360884.db2.gz ASKRDMROASVETA-QHCPKHFHSA-N 1 1 406.574 2.875 50 0 HFAAMO CN1CCN(c2ccc(C(=O)N[C@H]3CCC[N@@H+](CCc4ccccc4)C3)cc2)CC1 ZINC000012449443 132360885 /nfs/dbraw/zinc/36/08/85/132360885.db2.gz ASKRDMROASVETA-QHCPKHFHSA-N 1 1 406.574 2.875 50 0 HFAAMO CC(C)[NH+]1CCC(N2CCN(Cc3cccc(-n4cccn4)c3)C[C@@H]2CCO)CC1 ZINC000020542016 519670253 /nfs/dbraw/zinc/67/02/53/519670253.db2.gz XTLWVZOVNBAYFT-DEOSSOPVSA-N 1 1 411.594 2.614 50 0 HFAAMO CC(C)[C@@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)n1cnc2ccccc2c1=O ZINC000020548202 519788977 /nfs/dbraw/zinc/78/89/77/519788977.db2.gz COVGMFWOSDFHEW-QFIPXVFZSA-N 1 1 404.514 2.938 50 0 HFAAMO CCOC(=O)N1CCN([C@H]2CCC[N@@H+](Cc3ccc(OC)c(COC)c3)C2)CC1 ZINC000020600575 520962030 /nfs/dbraw/zinc/96/20/30/520962030.db2.gz YXUCNTVWBFPXCK-FQEVSTJZSA-N 1 1 405.539 2.580 50 0 HFAAMO CCOC(=O)Nc1ccc2c(c1)nc(C[N@@H+]1C[C@H]3C[C@H](Cn4c(=O)cccc43)C1)n2C ZINC000032124395 520996118 /nfs/dbraw/zinc/99/61/18/520996118.db2.gz WFEOKSWALDVJEY-JKSUJKDBSA-N 1 1 421.501 2.923 50 0 biogenic HFAAMO CC[NH+]1CCN(C(=O)[C@@H](C)n2c3cc(C)c(C)cc3nc(C(F)(F)F)c2=O)CC1 ZINC000032945050 521666098 /nfs/dbraw/zinc/66/60/98/521666098.db2.gz OXGCLXAFJOFNSD-CQSZACIVSA-N 1 1 410.440 2.757 50 0 HFAAMO Cc1ccc(C[N@@H+]2CCc3nnc(CNC(=O)CCc4cccnc4)n3CC2)c(C)c1 ZINC000020600634 524476554 /nfs/dbraw/zinc/47/65/54/524476554.db2.gz BRVXGNANAGYNEA-UHFFFAOYSA-N 1 1 418.545 2.597 50 0 HFAAMO Cc1cc(C(=O)N2CCC[C@@H](CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)[nH]n1 ZINC000020537468 526246474 /nfs/dbraw/zinc/24/64/74/526246474.db2.gz KBDXJIPKGQHJAS-NRFANRHFSA-N 1 1 423.561 2.695 50 0 HFAAMO Cc1cc(C(=O)N2CCC[C@@H](CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)no1 ZINC000019835561 526246495 /nfs/dbraw/zinc/24/64/95/526246495.db2.gz XLNKXSBRSHVCPH-NRFANRHFSA-N 1 1 424.545 2.960 50 0 HFAAMO COCCN(C[C@H]1C[N@@H+](Cc2ccco2)C[C@@H]1c1cccc(F)c1)C(=O)COC ZINC000034740549 557444060 /nfs/dbraw/zinc/44/40/60/557444060.db2.gz PLVKDHZHXBTYPY-WIYYLYMNSA-N 1 1 404.482 2.756 50 0 HFAAMO CCOc1ccc(N2C(=O)C[C@H]([N@H+](C)CCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000004682448 557580729 /nfs/dbraw/zinc/58/07/29/557580729.db2.gz PXYSFNAOMMSAPS-IBGZPJMESA-N 1 1 412.486 2.909 50 0 HFAAMO CCOc1ccc(N2C(=O)C[C@H]([N@@H+](C)CCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000004682448 557580731 /nfs/dbraw/zinc/58/07/31/557580731.db2.gz PXYSFNAOMMSAPS-IBGZPJMESA-N 1 1 412.486 2.909 50 0 HFAAMO Cc1ccc(C[N@@H+]2CCc3nnc([C@@H](C)NC(=O)COc4ccccc4)n3CC2)cc1 ZINC000019741066 558261796 /nfs/dbraw/zinc/26/17/96/558261796.db2.gz NHKRLBWZHJZZIL-LJQANCHMSA-N 1 1 419.529 2.901 50 0 HFAAMO O=C(C[C@H]1C(=O)NCC[N@H+]1C1CCCC1)NCc1cc(F)cc(C(F)(F)F)c1 ZINC000011816014 558279462 /nfs/dbraw/zinc/27/94/62/558279462.db2.gz UXAQXCVUIXBIKB-INIZCTEOSA-N 1 1 401.404 2.594 50 0 HFAAMO CC[NH+]1CCN(C(=O)CCC2CCN(C(=O)c3csc(C(C)=O)c3)CC2)CC1 ZINC000019795077 558284365 /nfs/dbraw/zinc/28/43/65/558284365.db2.gz DBSKAAJIINGGPE-UHFFFAOYSA-N 1 1 405.564 2.747 50 0 HFAAMO C[NH+]1CCN(CC(=O)N2N=C3c4ccccc4CC[C@@H]3[C@@H]2c2ccc(F)cc2)CC1 ZINC000019897368 558303983 /nfs/dbraw/zinc/30/39/83/558303983.db2.gz VHNRLLQSAAYGPL-URXFXBBRSA-N 1 1 406.505 2.923 50 0 HFAAMO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C)CC2)c2ccc(C)c(C)c2)cc1 ZINC000019913721 558306865 /nfs/dbraw/zinc/30/68/65/558306865.db2.gz AQXSWKNRHDKUQP-UHFFFAOYSA-N 1 1 415.559 2.581 50 0 HFAAMO Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CC(=O)N1CC[NH+](C)CC1 ZINC000019928949 558309198 /nfs/dbraw/zinc/30/91/98/558309198.db2.gz LUVSBBNCRPOTOA-QHCPKHFHSA-N 1 1 402.498 2.796 50 0 HFAAMO COc1ccccc1/C=C/C[N@@H+]1CCc2nnc([C@H](C)NC(=O)c3ccco3)n2CC1 ZINC000012034250 558311495 /nfs/dbraw/zinc/31/14/95/558311495.db2.gz INOZSPCKTNVZEK-JZLODUJNSA-N 1 1 421.501 2.942 50 0 HFAAMO COc1ccc(CC[N@@H+](C)[C@@H]2CCCN(C(=O)c3snnc3C)C2)cc1OC ZINC000012052674 558314609 /nfs/dbraw/zinc/31/46/09/558314609.db2.gz SDPAWRZMZCCVHY-MRXNPFEDSA-N 1 1 404.536 2.643 50 0 HFAAMO Cn1cc(CC[N@@H+](C)[C@H]2CCC(=O)N(Cc3cc4c(cc3Cl)OCO4)CC2)cn1 ZINC000012099451 558325502 /nfs/dbraw/zinc/32/55/02/558325502.db2.gz WEKHAJCNKULEEK-KRWDZBQOSA-N 1 1 418.925 2.858 50 0 HFAAMO CN1CCCN(C(=O)c2nc3sccn3c2C[NH2+]CC[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000020110063 558335332 /nfs/dbraw/zinc/33/53/32/558335332.db2.gz IZMGRFCBYIGYLQ-FGTMMUONSA-N 1 1 413.591 2.865 50 0 HFAAMO 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/nfs/dbraw/zinc/00/25/06/569002506.db2.gz DLORVMGSOIXCIA-IBGZPJMESA-N 1 1 411.546 2.869 50 0 HFAAMO O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)N[C@H]1COc2ccccc2C1 ZINC000015787265 569007714 /nfs/dbraw/zinc/00/77/14/569007714.db2.gz RVIZXVQFEITBCS-LJQANCHMSA-N 1 1 412.509 2.641 50 0 HFAAMO COc1ccc(C[N@@H+]2CCN(Cc3cnc(SC)nc3)C[C@H]2CCO)cc1C ZINC000104356275 569008261 /nfs/dbraw/zinc/00/82/61/569008261.db2.gz VCPJLXVWXYVIRZ-LJQANCHMSA-N 1 1 402.564 2.584 50 0 HFAAMO COc1ccc(C[N@H+]2CCN(Cc3cnc(SC)nc3)C[C@H]2CCO)cc1C ZINC000104356275 569008262 /nfs/dbraw/zinc/00/82/62/569008262.db2.gz VCPJLXVWXYVIRZ-LJQANCHMSA-N 1 1 402.564 2.584 50 0 HFAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)COc1ccc2c(c1)OCO2 ZINC000583652888 569009331 /nfs/dbraw/zinc/00/93/31/569009331.db2.gz LWAVVWPOTCJCEN-HKUYNNGSSA-N 1 1 404.507 2.534 50 0 biogenic HFAAMO Cc1nc(N2CCCC2)cc(N2CCN(C(=O)c3ccc(Br)o3)CC2)[nH+]1 ZINC000015838316 569013694 /nfs/dbraw/zinc/01/36/94/569013694.db2.gz KTIOYGWOGOQSNV-UHFFFAOYSA-N 1 1 420.311 2.703 50 0 HFAAMO Cc1cc(NC(=O)C[N@H+](C)CCOc2ccc(C)cc2)n(-c2nc(C)cc(C)n2)n1 ZINC000012919084 569022820 /nfs/dbraw/zinc/02/28/20/569022820.db2.gz OUVIYQOGEIHQDC-UHFFFAOYSA-N 1 1 408.506 2.845 50 0 HFAAMO Cc1cc(NC(=O)C[N@@H+](C)CCOc2ccc(C)cc2)n(-c2nc(C)cc(C)n2)n1 ZINC000012919084 569022821 /nfs/dbraw/zinc/02/28/21/569022821.db2.gz OUVIYQOGEIHQDC-UHFFFAOYSA-N 1 1 408.506 2.845 50 0 HFAAMO CNS(=O)(=O)c1ccc(C)c(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)c1 ZINC000012980918 569046559 /nfs/dbraw/zinc/04/65/59/569046559.db2.gz GKFBMDKHXORLMG-SFHVURJKSA-N 1 1 409.939 2.589 50 0 HFAAMO CC(C)C[C@@H](NC(=O)[C@H]1Cc2ccccc2C[NH2+]1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000035807342 569060842 /nfs/dbraw/zinc/06/08/42/569060842.db2.gz FSSWUDMQQDPNJI-RTBURBONSA-N 1 1 409.486 2.599 50 0 HFAAMO C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000006560625 569065806 /nfs/dbraw/zinc/06/58/06/569065806.db2.gz TYPGSONXYFYZBR-QGZVFWFLSA-N 1 1 413.543 2.856 50 0 HFAAMO C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[N@H+]1CCc2ccccc2C1 ZINC000006560625 569065807 /nfs/dbraw/zinc/06/58/07/569065807.db2.gz TYPGSONXYFYZBR-QGZVFWFLSA-N 1 1 413.543 2.856 50 0 HFAAMO CC(=O)N1c2ccc(S(=O)(=O)N3CC[NH+](C4CCCCC4)CC3)cc2C[C@@H]1C ZINC000036159963 569102836 /nfs/dbraw/zinc/10/28/36/569102836.db2.gz TYOXUVHTQVPWAB-INIZCTEOSA-N 1 1 405.564 2.623 50 0 HFAAMO Cc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1S(=O)(=O)N1CCCCC1 ZINC000006787517 569122076 /nfs/dbraw/zinc/12/20/76/569122076.db2.gz SHDCQHXIOLRGIQ-SFHVURJKSA-N 1 1 419.547 2.795 50 0 HFAAMO CCCCOC[C@@H](O)C[NH+]1CCN(c2nc(C)nc(C)c2Cc2ccccc2)CC1 ZINC000036340449 569141619 /nfs/dbraw/zinc/14/16/19/569141619.db2.gz HBKHCYAPFAYTGQ-QFIPXVFZSA-N 1 1 412.578 2.984 50 0 HFAAMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CNC(=O)COc1ccccc1 ZINC000036392963 569167840 /nfs/dbraw/zinc/16/78/40/569167840.db2.gz KRXIRDOSTKXQDU-LJQANCHMSA-N 1 1 409.530 2.872 50 0 HFAAMO CC[C@H]1CCCC[N@H+]1CCNC(=O)Cn1c2cccnc2n(-c2ccccc2)c1=O ZINC000065202554 569195211 /nfs/dbraw/zinc/19/52/11/569195211.db2.gz XNMQXRBMJUIFDY-SFHVURJKSA-N 1 1 407.518 2.568 50 0 HFAAMO C[C@@H]1CCC[N@H+](Cc2nc(Cn3ccn4nc(-c5ccccc5)cc4c3=O)no2)C1 ZINC000065235929 569202554 /nfs/dbraw/zinc/20/25/54/569202554.db2.gz KOXMAVXXKHOBNA-MRXNPFEDSA-N 1 1 404.474 2.826 50 0 HFAAMO C[C@@H]1CCC[N@@H+](Cc2nc(Cn3ccn4nc(-c5ccccc5)cc4c3=O)no2)C1 ZINC000065235929 569202557 /nfs/dbraw/zinc/20/25/57/569202557.db2.gz KOXMAVXXKHOBNA-MRXNPFEDSA-N 1 1 404.474 2.826 50 0 HFAAMO CCCNc1cc(N2CCC[C@H](CCC(=O)NC[C@@H]3CCC[N@H+]3CC)C2)ncn1 ZINC000065242442 569204709 /nfs/dbraw/zinc/20/47/09/569204709.db2.gz DBTVTGAUTCUXIL-MOPGFXCFSA-N 1 1 402.587 2.896 50 0 HFAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)CC[C@@H]1CCCN(c2cc(NC3CC3)ncn2)C1 ZINC000065245228 569205097 /nfs/dbraw/zinc/20/50/97/569205097.db2.gz WAKNLWWSCDEJDY-PKOBYXMFSA-N 1 1 400.571 2.648 50 0 HFAAMO COc1cc2nc(C)c(NC[C@@H](O)C[N@H+]3CCc4ccccc4C3)nc2cc1OC ZINC000170601986 569243402 /nfs/dbraw/zinc/24/34/02/569243402.db2.gz PYJADNQYVNGFSC-GOSISDBHSA-N 1 1 408.502 2.787 50 0 HFAAMO O=C(NCCC[N@@H+]1CCO[C@@H](c2ccccc2)C1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000017178509 569276317 /nfs/dbraw/zinc/27/63/17/569276317.db2.gz YOBHZAMXNFGTJT-LJQANCHMSA-N 1 1 419.884 2.997 50 0 HFAAMO O=C(NCCC[N@H+]1CCO[C@@H](c2ccccc2)C1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000017178509 569276319 /nfs/dbraw/zinc/27/63/19/569276319.db2.gz YOBHZAMXNFGTJT-LJQANCHMSA-N 1 1 419.884 2.997 50 0 HFAAMO CN(CCC[NH+]1CCN(C)CC1)C(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000078780603 569420436 /nfs/dbraw/zinc/42/04/36/569420436.db2.gz RSVGVOAUUQGYHY-UHFFFAOYSA-N 1 1 418.545 2.644 50 0 HFAAMO CO[C@@H](C)c1nc(CN2CCC[N@H+](CC(=O)NCc3ccc(F)cc3)CC2)cs1 ZINC000079053440 569425698 /nfs/dbraw/zinc/42/56/98/569425698.db2.gz IASDYGVIHSMDJK-INIZCTEOSA-N 1 1 420.554 2.814 50 0 HFAAMO CO[C@@H](C)c1nc(CN2CCC[N@@H+](CC(=O)NCc3ccc(F)cc3)CC2)cs1 ZINC000079053440 569425699 /nfs/dbraw/zinc/42/56/99/569425699.db2.gz IASDYGVIHSMDJK-INIZCTEOSA-N 1 1 420.554 2.814 50 0 HFAAMO CCOC(=O)C1C(C[NH+]2CCCCCC2)=NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000067285875 571064729 /nfs/dbraw/zinc/06/47/29/571064729.db2.gz QWYSSANSESLCSU-FQEVSTJZSA-N 1 1 417.506 2.751 50 0 HFAAMO CC(C)[C@@H](CNC(=O)c1ccccc1SC[C@H]1CCCO1)N1CC[NH+](C)CC1 ZINC000040092526 571161541 /nfs/dbraw/zinc/16/15/41/571161541.db2.gz SUCZNMDOZTWQSD-UYAOXDASSA-N 1 1 405.608 2.960 50 0 HFAAMO CN1C(=O)N(CC(=O)N2C[C@H]3CCC[N@H+]3Cc3ccccc32)C(=O)C12CCCCC2 ZINC000040146325 571196133 /nfs/dbraw/zinc/19/61/33/571196133.db2.gz WNJSGEDLVJQKNJ-GOSISDBHSA-N 1 1 410.518 2.595 50 0 HFAAMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1C(=O)c1ccc2c(c1)OCCO2 ZINC000071846605 571303425 /nfs/dbraw/zinc/30/34/25/571303425.db2.gz UPOICJNSVKIVBZ-INIZCTEOSA-N 1 1 406.482 2.903 50 0 HFAAMO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000540634609 571317579 /nfs/dbraw/zinc/31/75/79/571317579.db2.gz SCKBOTGNFRIIMB-LPHOPBHVSA-N 1 1 416.547 2.851 50 0 HFAAMO COc1ccc(Nc2nc(N3CC[NH+](CCO)CC3)nc3ccccc32)c(OC)c1 ZINC000000792217 132232613 /nfs/dbraw/zinc/23/26/13/132232613.db2.gz RTAPFZXOLWMKAT-UHFFFAOYSA-N 1 1 409.490 2.505 50 0 HFAAMO CCOC(=O)[C@H]1CCC[N@H+](C2CCN(c3nncc(-c4ccc(F)cc4)n3)CC2)C1 ZINC000012716387 132366189 /nfs/dbraw/zinc/36/61/89/132366189.db2.gz JTURFYKVZJKCMU-KRWDZBQOSA-N 1 1 413.497 2.922 50 0 HFAAMO CCCc1cc(=O)oc2cc(OCC(=O)NCCC[NH+]3CCOCC3)c(Cl)cc12 ZINC000020548099 521348724 /nfs/dbraw/zinc/34/87/24/521348724.db2.gz FKBFFCWFRZDIBU-UHFFFAOYSA-N 1 1 422.909 2.616 50 0 HFAAMO COc1cc(C[N@@H+]2CCN(Cc3cc(CC(C)C)n[nH]3)C[C@H]2CCO)cc(OC)c1 ZINC000043135978 522382303 /nfs/dbraw/zinc/38/23/03/522382303.db2.gz XMIMJNPQKLLHEE-OAQYLSRUSA-N 1 1 416.566 2.694 50 0 HFAAMO COc1cc(C[N@H+]2CCN(Cc3cc(CC(C)C)n[nH]3)C[C@H]2CCO)cc(OC)c1 ZINC000043135978 522382312 /nfs/dbraw/zinc/38/23/12/522382312.db2.gz XMIMJNPQKLLHEE-OAQYLSRUSA-N 1 1 416.566 2.694 50 0 HFAAMO COc1ccc(C[N@@H+]2CCc3nnc([C@@H](C)NC(=O)c4ccco4)n3CC2)cc1C ZINC000020599337 524040028 /nfs/dbraw/zinc/04/00/28/524040028.db2.gz IMOONJVQZIJGRL-MRXNPFEDSA-N 1 1 409.490 2.737 50 0 HFAAMO COc1ccccc1-c1nc2c3c(C)c(C)n(CC[NH+]4CCOCC4)c3ncn2n1 ZINC000020591398 524282329 /nfs/dbraw/zinc/28/23/29/524282329.db2.gz RWNQNSHRZPHYLF-UHFFFAOYSA-N 1 1 406.490 2.704 50 0 HFAAMO C[C@H]1CCc2c(sc3nc(CC[NH+]4CCN(c5ncccn5)CC4)nc(N)c23)C1 ZINC000032850912 524438328 /nfs/dbraw/zinc/43/83/28/524438328.db2.gz UUVIKCXODBSUGP-AWEZNQCLSA-N 1 1 409.563 2.553 50 0 HFAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc(C[S@](=O)c2ccccc2Cl)o1 ZINC000020514696 527672540 /nfs/dbraw/zinc/67/25/40/527672540.db2.gz CXBCDSNCAFOJTK-HHHXNRCGSA-N 1 1 410.923 2.693 50 0 HFAAMO C[N@@H+]1CCN2c3ccccc3C[C@]3(C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)[C@@H]2C1 ZINC000008974465 536428192 /nfs/dbraw/zinc/42/81/92/536428192.db2.gz ZCGAAJZZWYCMKO-PGRDOPGGSA-N 1 1 408.433 2.612 50 0 HFAAMO C[N@H+]1CCN2c3ccccc3C[C@]3(C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)[C@@H]2C1 ZINC000008974465 536428197 /nfs/dbraw/zinc/42/81/97/536428197.db2.gz ZCGAAJZZWYCMKO-PGRDOPGGSA-N 1 1 408.433 2.612 50 0 HFAAMO CC[NH+]1CCN(C(=O)Cc2ccc(N(Cc3ccccc3)C(=O)COC)cc2)CC1 ZINC000034675497 557363585 /nfs/dbraw/zinc/36/35/85/557363585.db2.gz BVTIZJBUJNBOED-UHFFFAOYSA-N 1 1 409.530 2.573 50 0 HFAAMO CCOC(=O)CCc1c(C)nc2ncnn2c1N1CCC([N@H+]2CCC[C@H](C)C2)CC1 ZINC000022644148 557491164 /nfs/dbraw/zinc/49/11/64/557491164.db2.gz YXTCAJMCMRISDX-INIZCTEOSA-N 1 1 414.554 2.629 50 0 HFAAMO COc1ccc(-c2cc(C(=O)NN3CC[NH+](C)CC3)c3ccccc3n2)cc1OC ZINC000004611416 557572225 /nfs/dbraw/zinc/57/22/25/557572225.db2.gz FETGRKAVUQFQII-UHFFFAOYSA-N 1 1 406.486 2.811 50 0 HFAAMO COc1cc(C)c(C[NH+]2CCN(Cc3cc(=O)n4c(C)cccc4n3)CC2)cc1OC ZINC000022783030 557819652 /nfs/dbraw/zinc/81/96/52/557819652.db2.gz XMHQZPMGOBGLSD-UHFFFAOYSA-N 1 1 422.529 2.646 50 0 HFAAMO O=C1C[C@@H](N2CC[NH+](Cc3cccs3)CC2)C(=O)N1c1ccc(F)c(Cl)c1 ZINC000022848413 557838495 /nfs/dbraw/zinc/83/84/95/557838495.db2.gz NCCFQGWGAZKFCB-QGZVFWFLSA-N 1 1 407.898 2.990 50 0 HFAAMO COc1cc(OC)c(OC)cc1CN1CC[N@H+](Cc2ccc(C)o2)[C@@H](CCO)C1 ZINC000019745067 558265721 /nfs/dbraw/zinc/26/57/21/558265721.db2.gz DTLBIAJGKWMVLH-SFHVURJKSA-N 1 1 404.507 2.683 50 0 HFAAMO COc1cc(OC)c(OC)cc1CN1CC[N@@H+](Cc2ccc(C)o2)[C@@H](CCO)C1 ZINC000019745067 558265723 /nfs/dbraw/zinc/26/57/23/558265723.db2.gz DTLBIAJGKWMVLH-SFHVURJKSA-N 1 1 404.507 2.683 50 0 HFAAMO CS(=O)(=O)c1ncc(CN2CC[NH+](C3CCCC3)CC2)n1CC1CCCCC1 ZINC000019774461 558280889 /nfs/dbraw/zinc/28/08/89/558280889.db2.gz RVNWCNRKDGBUKS-UHFFFAOYSA-N 1 1 408.612 2.927 50 0 HFAAMO Cc1ccc([C@H](C)CC[N@@H+]2CCc3nnc(CNC(=O)c4ccccn4)n3CC2)o1 ZINC000011868274 558289960 /nfs/dbraw/zinc/28/99/60/558289960.db2.gz JMRZWNUUYJBBMM-MRXNPFEDSA-N 1 1 408.506 2.556 50 0 HFAAMO CCS(=O)(=O)c1ncc(CN(C)CC[NH+]2CCCCC2)n1Cc1ccccc1 ZINC000019836828 558293018 /nfs/dbraw/zinc/29/30/18/558293018.db2.gz BJAAWWKYEBIBGO-UHFFFAOYSA-N 1 1 404.580 2.643 50 0 HFAAMO O[C@H](C[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc2c(c1)OCCO2 ZINC000019924806 558307650 /nfs/dbraw/zinc/30/76/50/558307650.db2.gz XMQLESRIPICZMY-MRXNPFEDSA-N 1 1 409.408 2.727 50 0 HFAAMO COc1ccc(CC[N@@H+](C)[C@H]2CCCN(C(=O)c3snnc3C)C2)cc1OC ZINC000012052677 558314615 /nfs/dbraw/zinc/31/46/15/558314615.db2.gz SDPAWRZMZCCVHY-INIZCTEOSA-N 1 1 404.536 2.643 50 0 HFAAMO Cn1cc(CC[N@@H+](C)[C@@H]2CCC(=O)N(Cc3cc4c(cc3Cl)OCO4)CC2)cn1 ZINC000012099452 558325485 /nfs/dbraw/zinc/32/54/85/558325485.db2.gz WEKHAJCNKULEEK-QGZVFWFLSA-N 1 1 418.925 2.858 50 0 HFAAMO COc1ccc(C[N@@H+]2CCN(Cc3cnc(N(C)C)s3)C[C@@H]2CCO)cc1C ZINC000020166318 558342914 /nfs/dbraw/zinc/34/29/14/558342914.db2.gz CYRJBFFIKVNUNV-SFHVURJKSA-N 1 1 404.580 2.595 50 0 HFAAMO COc1ccc(C[N@H+]2CCN(Cc3cnc(N(C)C)s3)C[C@@H]2CCO)cc1C ZINC000020166318 558342917 /nfs/dbraw/zinc/34/29/17/558342917.db2.gz CYRJBFFIKVNUNV-SFHVURJKSA-N 1 1 404.580 2.595 50 0 HFAAMO COc1ccc(F)c(C[N@H+]2CCc3nnc([C@H](C)NC(=O)c4ccco4)n3CC2)c1 ZINC000020210768 558347472 /nfs/dbraw/zinc/34/74/72/558347472.db2.gz PZDUSVDCVSXEHO-AWEZNQCLSA-N 1 1 413.453 2.568 50 0 HFAAMO COc1ccc(F)c(C[N@@H+]2CCc3nnc([C@H](C)NC(=O)c4ccco4)n3CC2)c1 ZINC000020210768 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/nfs/dbraw/zinc/91/47/24/558914724.db2.gz RPANCZYTDXMDDG-IBGZPJMESA-N 1 1 413.522 2.520 50 0 HFAAMO O=C(c1cc(COc2c(F)cccc2F)on1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000019638084 558947381 /nfs/dbraw/zinc/94/73/81/558947381.db2.gz INKDBCNOGTWMLL-HNNXBMFYSA-N 1 1 421.444 2.716 50 0 HFAAMO Cc1[nH+]ccn1-c1cc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)ncn1 ZINC000067602050 558987807 /nfs/dbraw/zinc/98/78/07/558987807.db2.gz YTLRYESHUJKFIY-UHFFFAOYSA-N 1 1 416.407 2.952 50 0 HFAAMO CCOCCC[N@H+]1CC[C@@H](NCC(=O)NCCc2nc3ccccc3s2)[C@H](C)C1 ZINC000097164304 558998349 /nfs/dbraw/zinc/99/83/49/558998349.db2.gz JIEGBNLZBMECOC-QZTJIDSGSA-N 1 1 418.607 2.682 50 0 HFAAMO COc1ccc(C(=O)N2CCN(c3cc(-n4cnc(C)c4C)nc(C)[nH+]3)CC2)cc1 ZINC000077137526 558999604 /nfs/dbraw/zinc/99/96/04/558999604.db2.gz FIVNQXRTXWLHFX-UHFFFAOYSA-N 1 1 406.490 2.559 50 0 HFAAMO Cc1cc(O)c([C@@H](c2ccccc2)[NH+]2CCN(C)CC2)c(=O)n1Cc1cccnc1 ZINC000023086533 558999931 /nfs/dbraw/zinc/99/99/31/558999931.db2.gz DYHZEIGKGUICRZ-HSZRJFAPSA-N 1 1 404.514 2.642 50 0 HFAAMO O=C([C@@H]1CCC[N@H+](C2CCN(CCc3ccccc3)CC2)C1)N1CCC(CO)CC1 ZINC000082098702 559037920 /nfs/dbraw/zinc/03/79/20/559037920.db2.gz LTFQCNBMMXUEAM-HSZRJFAPSA-N 1 1 413.606 2.636 50 0 HFAAMO O=C(NCc1ccccn1)[C@H]1CCC[N@H+](C2CCN(Cc3cccc(O)c3)CC2)C1 ZINC000082115718 559039071 /nfs/dbraw/zinc/03/90/71/559039071.db2.gz OYVWHUBJVAUHLS-FQEVSTJZSA-N 1 1 408.546 2.780 50 0 HFAAMO CCSCCC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082120855 559039417 /nfs/dbraw/zinc/03/94/17/559039417.db2.gz VCGLMUGFUOONPN-GOSISDBHSA-N 1 1 418.607 2.544 50 0 HFAAMO O=C(NCc1ccccn1)[C@@H]1CCC[N@H+](C2CCN(C(=O)NC3CCCC3)CC2)C1 ZINC000082134092 559040001 /nfs/dbraw/zinc/04/00/01/559040001.db2.gz TYBAJQWYQXDNEA-GOSISDBHSA-N 1 1 413.566 2.526 50 0 HFAAMO CN(Cc1cccnc1)C(=O)[C@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082148020 559041024 /nfs/dbraw/zinc/04/10/24/559041024.db2.gz MASFZVNZPPYGNH-QFIPXVFZSA-N 1 1 407.562 2.812 50 0 HFAAMO O=C(c1ccccc1Br)N1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC000082230650 559042902 /nfs/dbraw/zinc/04/29/02/559042902.db2.gz RNBKANAGTHQHIV-UHFFFAOYSA-N 1 1 416.323 2.802 50 0 HFAAMO Cc1ccccc1Sc1nccnc1SCC(=O)NCCC[NH+]1CCOCC1 ZINC000033288966 559044461 /nfs/dbraw/zinc/04/44/61/559044461.db2.gz CTSZCTBXXLZSCO-UHFFFAOYSA-N 1 1 418.588 2.867 50 0 HFAAMO OCCC[C@@H]1CN(Cc2c(Cl)ccc(O)c2Cl)CC[C@@H]1[NH+]1CCOCC1 ZINC000091269911 559070731 /nfs/dbraw/zinc/07/07/31/559070731.db2.gz VGIVPDRZNUBMNO-PBHICJAKSA-N 1 1 403.350 2.994 50 0 HFAAMO Cc1cccc(CNC(=O)[C@H]2CCC[N@H+](C3CCN(Cc4cccnc4)CC3)C2)n1 ZINC000091505409 559071755 /nfs/dbraw/zinc/07/17/55/559071755.db2.gz GITGVLCRSKZRNF-NRFANRHFSA-N 1 1 407.562 2.778 50 0 HFAAMO COCCCN(C)C(=O)[C@H]1CCC[N@@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC000091713657 559073414 /nfs/dbraw/zinc/07/34/14/559073414.db2.gz TUWPJTKBGLWWLR-QFIPXVFZSA-N 1 1 413.606 2.825 50 0 HFAAMO COCCCN(C)C(=O)[C@H]1CCC[N@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC000091713657 559073416 /nfs/dbraw/zinc/07/34/16/559073416.db2.gz TUWPJTKBGLWWLR-QFIPXVFZSA-N 1 1 413.606 2.825 50 0 HFAAMO CCC(=O)N1CCc2cc(S(=O)(=O)NCCC[N@@H+](C)Cc3ccccc3)ccc21 ZINC000004969197 559218882 /nfs/dbraw/zinc/21/88/82/559218882.db2.gz FCAQQDRFUHWDSK-UHFFFAOYSA-N 1 1 415.559 2.786 50 0 HFAAMO CC1CC[NH+]([C@H](CNS(=O)(=O)c2ccc3c(c2)OCCO3)c2ccco2)CC1 ZINC000011999602 559270584 /nfs/dbraw/zinc/27/05/84/559270584.db2.gz MVUNVJBAQLVOEJ-QGZVFWFLSA-N 1 1 406.504 2.802 50 0 HFAAMO COCC[N@H+]1CC[C@H](CNC(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)C1 ZINC000078714427 560540395 /nfs/dbraw/zinc/54/03/95/560540395.db2.gz XZYWRDOKYHUVRZ-QGZVFWFLSA-N 1 1 400.523 2.877 50 0 HFAAMO COc1ccc2c(c1)c(C(=O)C[N@H+]1C[C@H]3C[C@H](Cn4c(=O)cccc43)C1)c(C)n2C ZINC000061997566 560565079 /nfs/dbraw/zinc/56/50/79/560565079.db2.gz PYLRODCXSXGOFG-DLBZAZTESA-N 1 1 405.498 2.959 50 0 biogenic HFAAMO COc1ccc2c(c1)c(C(=O)C[N@@H+]1C[C@H]3C[C@H](Cn4c(=O)cccc43)C1)c(C)n2C ZINC000061997566 560565080 /nfs/dbraw/zinc/56/50/80/560565080.db2.gz PYLRODCXSXGOFG-DLBZAZTESA-N 1 1 405.498 2.959 50 0 biogenic HFAAMO COc1ccc([C@@H](CNc2c(=O)c(=O)c2NCc2ccncc2)[NH+]2CCCC2)cc1 ZINC000101700280 560798409 /nfs/dbraw/zinc/79/84/09/560798409.db2.gz BGJWMZAVVQMZTC-LJQANCHMSA-N 1 1 406.486 2.547 50 0 HFAAMO CCOC(=O)C1=C(C[NH+]2C[C@H](C)C[C@@H](C)C2)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000245258165 560854971 /nfs/dbraw/zinc/85/49/71/560854971.db2.gz LZBGTMPVXFKPEY-SXGZJXTBSA-N 1 1 401.507 2.844 50 0 HFAAMO COc1cccc(Cn2c(CNC(=O)[C@@H](C)Cn3cc[nH+]c3C)nc3cccnc32)c1 ZINC000047145825 560882247 /nfs/dbraw/zinc/88/22/47/560882247.db2.gz FQPZLRKWXYPIMJ-INIZCTEOSA-N 1 1 418.501 2.946 50 0 HFAAMO CC(C)C[C@@H](CNC(=O)Nc1cccc(CN2CCCC2=O)c1)[NH+]1CCOCC1 ZINC000048332259 568440006 /nfs/dbraw/zinc/44/00/06/568440006.db2.gz KKOFXUISPPOIGO-FQEVSTJZSA-N 1 1 402.539 2.677 50 0 HFAAMO CN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1[C@H]1CCCC[N@H+]12 ZINC000033821720 568521404 /nfs/dbraw/zinc/52/14/04/568521404.db2.gz INAWKYYRGFLTDR-FDGPYGQJSA-N 1 1 401.466 2.532 50 0 HFAAMO CC[NH+]1CCN(C(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)CC1 ZINC000020062138 568586900 /nfs/dbraw/zinc/58/69/00/568586900.db2.gz UYDKCHYYWZHQSU-UHFFFAOYSA-N 1 1 413.971 2.682 50 0 HFAAMO COCO[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1[C@@H]1OC(C)(C)O[C@H]1[C@H]1COC(C)(C)O1 ZINC000601014253 568587393 /nfs/dbraw/zinc/58/73/93/568587393.db2.gz CTLIOWSDMFXLDV-MJCUULBUSA-N 1 1 421.534 2.922 50 0 HFAAMO CCN1CC[NH+](CCCNC(=O)c2cc3c(s2)c2ccccc2n(C)c3=O)CC1 ZINC000020237838 568595650 /nfs/dbraw/zinc/59/56/50/568595650.db2.gz ILKVNOVNKHJFNM-UHFFFAOYSA-N 1 1 412.559 2.511 50 0 HFAAMO CC(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000080338116 568602559 /nfs/dbraw/zinc/60/25/59/568602559.db2.gz SILZUYQNUQFMEG-QGZVFWFLSA-N 1 1 408.502 2.744 50 0 HFAAMO CC(C)c1cc(C(=O)OCC(=O)N2CCO[C@@H]3CCCC[C@H]32)nn1-c1cc[nH+]cc1 ZINC000095431973 568609161 /nfs/dbraw/zinc/60/91/61/568609161.db2.gz UKBINMDQQDPLLM-UYAOXDASSA-N 1 1 412.490 2.718 50 0 HFAAMO CN(C[C@@H](O)C[NH+]1CCc2ccccc2CC1)C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000095446571 568612081 /nfs/dbraw/zinc/61/20/81/568612081.db2.gz TZYHRQNHRRPWNH-OAQYLSRUSA-N 1 1 422.504 2.750 50 0 HFAAMO CCOC(=O)c1sc(NC(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c(C(=O)OCC)c1C ZINC000095454001 568616171 /nfs/dbraw/zinc/61/61/71/568616171.db2.gz FYYXKKLOKNZOFL-NEPJUHHUSA-N 1 1 411.524 2.966 50 0 HFAAMO CCN1CCN(C[C@H](O)COc2ccc(C[NH2+]CC3CCCCC3)cc2OC)CC1 ZINC000020534717 568629990 /nfs/dbraw/zinc/62/99/90/568629990.db2.gz ODUSGNMCSBLVAX-QFIPXVFZSA-N 1 1 419.610 2.742 50 0 HFAAMO CC(=O)N1C[C@H](C)Sc2ccc(S(=O)(=O)N3CC[NH+](C4CCCC4)CC3)cc21 ZINC000020904556 568650868 /nfs/dbraw/zinc/65/08/68/568650868.db2.gz VIINSMBDDRQUKA-HNNXBMFYSA-N 1 1 423.604 2.783 50 0 HFAAMO Cc1cc(C)c2c(n1)SCC(=O)N2CC(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000021148416 568672144 /nfs/dbraw/zinc/67/21/44/568672144.db2.gz CSMWRSZITIUVFN-UHFFFAOYSA-N 1 1 412.559 2.775 50 0 HFAAMO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(Br)nc1)c1cccc(F)c1 ZINC000225832793 568679218 /nfs/dbraw/zinc/67/92/18/568679218.db2.gz QHXCJVMKMBIUGZ-CQSZACIVSA-N 1 1 402.289 2.564 50 0 HFAAMO COc1cc2c(cc1OC)C[N@@H+](CCC(=O)N1CCN(c3ccccc3)CC1)CC2 ZINC000096232119 568707867 /nfs/dbraw/zinc/70/78/67/568707867.db2.gz SMSUYOQFQTZILL-UHFFFAOYSA-N 1 1 409.530 2.801 50 0 HFAAMO Cc1ccccc1C[NH+]1CCN(C(=O)CN(C)CC(=O)Nc2cccc(C)c2C)CC1 ZINC000025105797 568749902 /nfs/dbraw/zinc/74/99/02/568749902.db2.gz BGTSNQXGZZGYOB-UHFFFAOYSA-N 1 1 422.573 2.827 50 0 HFAAMO CC[N@@H+](CCNS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)Cc1ccccc1 ZINC000021888232 568758988 /nfs/dbraw/zinc/75/89/88/568758988.db2.gz CZFWJVSCDQOBKH-UHFFFAOYSA-N 1 1 401.532 2.762 50 0 HFAAMO C[C@H]1C[NH+](C(C)(C)CNC(=O)c2cccc(I)c2)C[C@H](C)O1 ZINC000025407402 568768587 /nfs/dbraw/zinc/76/85/87/568768587.db2.gz KIAMZSXIWZIHPG-STQMWFEESA-N 1 1 416.303 2.909 50 0 HFAAMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2cccc(I)c2)C[C@@H](C)O1 ZINC000025407396 568768589 /nfs/dbraw/zinc/76/85/89/568768589.db2.gz KIAMZSXIWZIHPG-CHWSQXEVSA-N 1 1 416.303 2.909 50 0 HFAAMO COc1ccc(-c2nc(CC(=O)NC[C@H]3C[N@@H+](CC(C)C)CCO3)cs2)cc1 ZINC000028016375 568777675 /nfs/dbraw/zinc/77/76/75/568777675.db2.gz VMYQFTMUVPCXSX-IBGZPJMESA-N 1 1 403.548 2.834 50 0 HFAAMO CCOc1ccc([C@H]2NC(=[NH2+])Nc3nc4cc5c(cc4n32)OCCCO5)cc1OC ZINC000012507731 568839864 /nfs/dbraw/zinc/83/98/64/568839864.db2.gz XGKFFIXKATVGQR-IBGZPJMESA-N 1 1 409.446 2.701 50 0 HFAAMO Cc1ccc(NC(=O)C[N@@H+]2CCS[C@H]3CCCC[C@H]32)cc1S(=O)(=O)N(C)C ZINC000230172543 568853868 /nfs/dbraw/zinc/85/38/68/568853868.db2.gz NKJCUTHRRPOFAJ-SJORKVTESA-N 1 1 411.593 2.544 50 0 HFAAMO Cc1ccc(NC(=O)C[N@H+]2CCS[C@H]3CCCC[C@H]32)cc1S(=O)(=O)N(C)C ZINC000230172543 568853870 /nfs/dbraw/zinc/85/38/70/568853870.db2.gz NKJCUTHRRPOFAJ-SJORKVTESA-N 1 1 411.593 2.544 50 0 HFAAMO O=c1cc(C[N@@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)nc2ccccn12 ZINC000012585248 568866002 /nfs/dbraw/zinc/86/60/02/568866002.db2.gz ZJFJERKKZKIAED-UHFFFAOYSA-N 1 1 403.408 2.821 50 0 HFAAMO O=C(N[C@@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3)c1ccccc1OC(F)F ZINC000670444509 568904894 /nfs/dbraw/zinc/90/48/94/568904894.db2.gz YTYVHOQJJWTENG-VRVFXRSRSA-N 1 1 413.468 2.585 50 0 HFAAMO COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000004164338 568918566 /nfs/dbraw/zinc/91/85/66/568918566.db2.gz XZRGQPAYKFMQCE-DLBZAZTESA-N 1 1 419.547 2.559 50 0 HFAAMO COc1ccc(CC[N@@H+](C)[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)cc1OC ZINC000008187546 568980674 /nfs/dbraw/zinc/98/06/74/568980674.db2.gz QRGVEOHHFCDCCX-OAHLLOKOSA-N 1 1 400.475 2.612 50 0 HFAAMO COc1ccc(C[N@H+]2CCN(Cc3cnc(SC)nc3)C[C@H]2CCO)c(C)c1C ZINC000104379073 569008528 /nfs/dbraw/zinc/00/85/28/569008528.db2.gz MNKJQUGDQCWATK-HXUWFJFHSA-N 1 1 416.591 2.893 50 0 HFAAMO COc1ccc(CN2CC[N@@H+](CCC(C)C)[C@H](CCO)C2)cc1Cn1cccn1 ZINC000104509819 569008890 /nfs/dbraw/zinc/00/88/90/569008890.db2.gz RLIKPWCLXRAUBV-JOCHJYFZSA-N 1 1 400.567 2.855 50 0 HFAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)CCCn1c2ccccc2c2cnn(C)c(=O)c21 ZINC000035372390 569033910 /nfs/dbraw/zinc/03/39/10/569033910.db2.gz RDKWUPXFVLLDBR-KRWDZBQOSA-N 1 1 409.534 2.659 50 0 HFAAMO CCCc1nc2c(c(=O)n1CC(=O)NC1CCCC1)CC[N@H+](Cc1ccccc1)C2 ZINC000035457165 569037826 /nfs/dbraw/zinc/03/78/26/569037826.db2.gz APGYBQRGNYWBLD-UHFFFAOYSA-N 1 1 408.546 2.813 50 0 HFAAMO CCCc1nc2c(c(=O)n1CC(=O)NC1CCCC1)CC[N@@H+](Cc1ccccc1)C2 ZINC000035457165 569037827 /nfs/dbraw/zinc/03/78/27/569037827.db2.gz APGYBQRGNYWBLD-UHFFFAOYSA-N 1 1 408.546 2.813 50 0 HFAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)CC1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000035459730 569038165 /nfs/dbraw/zinc/03/81/65/569038165.db2.gz QMLLONXRQDUNTE-MRXNPFEDSA-N 1 1 413.609 2.530 50 0 HFAAMO COC(=O)c1sccc1S(=O)(=O)NC[C@@H](c1cc2ccccc2o1)[NH+](C)C ZINC000575620385 569038865 /nfs/dbraw/zinc/03/88/65/569038865.db2.gz KEGMVISSCOPLMJ-ZDUSSCGKSA-N 1 1 408.501 2.862 50 0 HFAAMO COc1cccc(NC(=O)[C@H](CCSC)NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)c1 ZINC000035485542 569039779 /nfs/dbraw/zinc/03/97/79/569039779.db2.gz SQSCDEMAIIGXBY-PMACEKPBSA-N 1 1 413.543 2.586 50 0 HFAAMO Cc1c(C(=O)C=C([O-])C(=O)Nc2ccc(Cl)cc2)[n+](=O)c2ccccc2n1O ZINC000138309789 569053714 /nfs/dbraw/zinc/05/37/14/569053714.db2.gz QYLJQLZZBMPXBT-UHFFFAOYSA-O 1 1 400.798 2.536 50 0 HFAAMO CC[C@H](C)[C@@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)NCc1ccccc1OC ZINC000035806858 569060750 /nfs/dbraw/zinc/06/07/50/569060750.db2.gz NYRGXQKQJYLSSV-XUEUYAKLSA-N 1 1 409.530 2.557 50 0 HFAAMO CCC(=O)N1CCc2cc(S(=O)(=O)N3CC[NH+](C4CCCCC4)CC3)ccc21 ZINC000036077013 569086894 /nfs/dbraw/zinc/08/68/94/569086894.db2.gz CKAOJVHKHIWKTG-UHFFFAOYSA-N 1 1 405.564 2.625 50 0 HFAAMO Cc1ccc(C)c(C[N@@H+](CCN2CCOCC2)C[C@@H](O)COCc2ccco2)c1 ZINC000036103806 569092276 /nfs/dbraw/zinc/09/22/76/569092276.db2.gz WFVQFNWEZGPOON-JOCHJYFZSA-N 1 1 402.535 2.608 50 0 HFAAMO COc1ccc(OC[C@@H](O)C[N@@H+](CCN2CCOCC2)Cc2ccccc2C)cc1 ZINC000036104382 569092379 /nfs/dbraw/zinc/09/23/79/569092379.db2.gz OZOPOBLTFPQHJO-QFIPXVFZSA-N 1 1 414.546 2.578 50 0 HFAAMO Cc1ccc(C(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1S(=O)(=O)N1CCCCC1 ZINC000006787520 569122113 /nfs/dbraw/zinc/12/21/13/569122113.db2.gz SHDCQHXIOLRGIQ-GOSISDBHSA-N 1 1 419.547 2.795 50 0 HFAAMO CC[N@@H+](CCCNC(=O)Cn1c(=O)c2cccn2c2cccnc21)Cc1ccccc1 ZINC000006797286 569125212 /nfs/dbraw/zinc/12/52/12/569125212.db2.gz MWGLHWFKYOUBQI-UHFFFAOYSA-N 1 1 417.513 2.678 50 0 HFAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CCCN(c2nnc(-n3cccc3)s2)C1 ZINC000006806057 569130723 /nfs/dbraw/zinc/13/07/23/569130723.db2.gz SFCSDARCGMZTKS-ZWKOTPCHSA-N 1 1 416.595 2.926 50 0 HFAAMO Cc1nc(NCCNC(=O)Nc2cccc(C(F)(F)F)c2)cc(N2CCOCC2)[nH+]1 ZINC000036708100 569222159 /nfs/dbraw/zinc/22/21/59/569222159.db2.gz RYMOPJSCTLALPK-UHFFFAOYSA-N 1 1 424.427 2.874 50 0 HFAAMO CC[N@H+](CCC(=O)NCCOc1cccc(C)c1)Cc1nc2c(C)cccc2c(=O)[nH]1 ZINC000170638042 569280158 /nfs/dbraw/zinc/28/01/58/569280158.db2.gz WUKRDAFRUHXKOH-UHFFFAOYSA-N 1 1 422.529 2.947 50 0 HFAAMO CC[N@@H+](CCC(=O)NCCOc1cccc(C)c1)Cc1nc2c(C)cccc2c(=O)[nH]1 ZINC000170638042 569280159 /nfs/dbraw/zinc/28/01/59/569280159.db2.gz WUKRDAFRUHXKOH-UHFFFAOYSA-N 1 1 422.529 2.947 50 0 HFAAMO CC[NH+]1CCN(C(=O)c2ccccc2Cn2ccs/c2=N\C(=O)c2ccco2)CC1 ZINC000037435924 569299243 /nfs/dbraw/zinc/29/92/43/569299243.db2.gz IGWNNJMBIDLYIF-FCQUAONHSA-N 1 1 424.526 2.710 50 0 HFAAMO Cc1cccc(C)c1-n1nnnc1SCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000007798842 569311178 /nfs/dbraw/zinc/31/11/78/569311178.db2.gz PIBACCREIJGCHL-LJQANCHMSA-N 1 1 422.558 2.762 50 0 HFAAMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 ZINC000252675343 569319509 /nfs/dbraw/zinc/31/95/09/569319509.db2.gz TUPMVPLMHFKAQP-PZJWPPBQSA-N 1 1 403.542 2.940 50 0 HFAAMO COc1cc([C@H]2[C@@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)NCc2ccco2)ccc1O ZINC000015956880 569357168 /nfs/dbraw/zinc/35/71/68/569357168.db2.gz USKDJLYEQAFBEQ-OFAXGOBFSA-N 1 1 414.502 2.978 50 0 biogenic HFAAMO COc1cc([C@H]2[C@@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)NCc2ccco2)ccc1O ZINC000015956880 569357169 /nfs/dbraw/zinc/35/71/69/569357169.db2.gz USKDJLYEQAFBEQ-OFAXGOBFSA-N 1 1 414.502 2.978 50 0 biogenic HFAAMO COc1ccc([C@@H]2[C@@H](C(=O)N(C)C[C@@H]3CCC[N@H+]4CCCC[C@H]34)CC(=O)N2C)cc1 ZINC000253396337 569365305 /nfs/dbraw/zinc/36/53/05/569365305.db2.gz BABDFVCADQDSRG-VXPBHUBDSA-N 1 1 413.562 2.938 50 0 biogenic HFAAMO CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@H](C)[NH+]1CCC2(CC1)OCCO2 ZINC000002312391 569373968 /nfs/dbraw/zinc/37/39/68/569373968.db2.gz WBONJYDMRPNPAN-ZDUSSCGKSA-N 1 1 419.453 2.650 50 0 HFAAMO O=C(Cn1nc(-c2ccccc2Cl)ccc1=O)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000079190623 569429188 /nfs/dbraw/zinc/42/91/88/569429188.db2.gz LZAXKMMHGCKKBE-OXJNMPFZSA-N 1 1 414.937 2.944 50 0 biogenic HFAAMO Cc1ccccc1[C@H]1CC[N@@H+](CCNC(=O)CCc2c(C)nc3ncnn3c2C)C1 ZINC000670473295 571100401 /nfs/dbraw/zinc/10/04/01/571100401.db2.gz OMJYQVYSLCQBPX-IBGZPJMESA-N 1 1 406.534 2.588 50 0 HFAAMO COc1c2c(c(CNC(=O)COc3ccc(Cl)cc3)c3c1C[N@@H+](C)CC3)OCO2 ZINC000008765122 571115265 /nfs/dbraw/zinc/11/52/65/571115265.db2.gz ZDYKPJBMOINNMM-UHFFFAOYSA-N 1 1 418.877 2.760 50 0 biogenic HFAAMO Cc1nc2ncnn2c(C)c1CCC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000039969267 571135073 /nfs/dbraw/zinc/13/50/73/571135073.db2.gz WYJJBHSZIXFAQW-SFHVURJKSA-N 1 1 400.914 2.746 50 0 HFAAMO O=C(c1cccc(OCc2cn3ccccc3n2)c1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000069923713 571249987 /nfs/dbraw/zinc/24/99/87/571249987.db2.gz DHDNUYAWBIYWPB-JOCHJYFZSA-N 1 1 420.513 2.850 50 0 HFAAMO COc1ccccc1-c1cc(C(=O)N2CCC[N@@H+](CCn3nc(C)cc3C)CC2)[nH]n1 ZINC000077100061 571311162 /nfs/dbraw/zinc/31/11/62/571311162.db2.gz ZAOAFQRPMIJGJU-UHFFFAOYSA-N 1 1 422.533 2.747 50 0 HFAAMO CN1c2ccccc2[C@]2(C1=O)[C@@H](C(=O)Nc1ccc3c(c1)OCCO3)C[C@H]1CCC[N@H+]12 ZINC000057992663 571315440 /nfs/dbraw/zinc/31/54/40/571315440.db2.gz ZRQWUSXRRDLUOM-BUKPSGGLSA-N 1 1 419.481 2.753 50 0 HFAAMO CC(C)C[C@H](CNC(=O)Cc1cc(Cl)c2c(c1)OCCCO2)[NH+]1CCOCC1 ZINC000040047501 519349331 /nfs/dbraw/zinc/34/93/31/519349331.db2.gz LQCOMWGBNARJSB-QGZVFWFLSA-N 1 1 410.942 2.907 50 0 HFAAMO CCCOc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(c4nncn4CC)CC3)C2=O)cc1 ZINC000020595522 520383629 /nfs/dbraw/zinc/38/36/29/520383629.db2.gz HWACEYURBBJMBL-LJQANCHMSA-N 1 1 411.506 2.598 50 0 HFAAMO COc1cc(C[N@@H+]2CCN(Cc3cc(CC(C)C)n[nH]3)C[C@@H]2CCO)cc(OC)c1 ZINC000020539815 522383254 /nfs/dbraw/zinc/38/32/54/522383254.db2.gz XMIMJNPQKLLHEE-NRFANRHFSA-N 1 1 416.566 2.694 50 0 HFAAMO COc1cc(C[N@H+]2CCN(Cc3cc(CC(C)C)n[nH]3)C[C@@H]2CCO)cc(OC)c1 ZINC000020539815 522383262 /nfs/dbraw/zinc/38/32/62/522383262.db2.gz XMIMJNPQKLLHEE-NRFANRHFSA-N 1 1 416.566 2.694 50 0 HFAAMO CC[C@](C)(CNC(=O)c1cccc(I)c1)[NH+]1CCOCC1 ZINC000031929661 523463929 /nfs/dbraw/zinc/46/39/29/523463929.db2.gz HEDMPTUZZOKIIP-MRXNPFEDSA-N 1 1 402.276 2.522 50 0 HFAAMO Cc1ccc(C)c(NC(=O)[C@@H](C)N(C)CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000032806114 524151876 /nfs/dbraw/zinc/15/18/76/524151876.db2.gz LKEIFNAAYSMLKR-OAQYLSRUSA-N 1 1 422.573 2.907 50 0 HFAAMO COc1ccc([C@H]2CCC[N@H+]2CCC(=O)N2CCN(c3ccccn3)CC2)c(OC)c1 ZINC000032776774 525412014 /nfs/dbraw/zinc/41/20/14/525412014.db2.gz OUNHDKOTXKIIOB-OAQYLSRUSA-N 1 1 424.545 2.975 50 0 HFAAMO COc1ccc2cc(-c3ccc(C(=O)NCCC[NH+]4CCOCC4)cc3)c(=O)oc2c1 ZINC000020426678 525618710 /nfs/dbraw/zinc/61/87/10/525618710.db2.gz ZMXDWJRCDYVTOP-UHFFFAOYSA-N 1 1 422.481 2.921 50 0 HFAAMO Cc1ccc(-c2cn3nc(N4CCC[C@H](C(=O)N5CC[NH+](C)CC5)C4)sc3n2)cc1 ZINC000020531956 525767460 /nfs/dbraw/zinc/76/74/60/525767460.db2.gz JSWABPRDNGXJAK-SFHVURJKSA-N 1 1 424.574 2.757 50 0 HFAAMO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)Nc1cc(Cl)ccc1Cl ZINC000032870769 526486783 /nfs/dbraw/zinc/48/67/83/526486783.db2.gz NJAQGGURWLLIJG-INIZCTEOSA-N 1 1 400.306 2.645 50 0 HFAAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(I)o2)N3)C1 ZINC000000830544 557095467 /nfs/dbraw/zinc/09/54/67/557095467.db2.gz LWEXFDAPKOWTIG-LBPRGKRZSA-N 1 1 415.256 2.788 50 0 HFAAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(I)o2)N3)C1 ZINC000000830544 557095471 /nfs/dbraw/zinc/09/54/71/557095471.db2.gz LWEXFDAPKOWTIG-LBPRGKRZSA-N 1 1 415.256 2.788 50 0 HFAAMO Cc1ccc(C[N@@H+]2CCc3nnc([C@H](C)NC(=O)COc4ccccc4)n3CC2)cc1 ZINC000019741068 558261855 /nfs/dbraw/zinc/26/18/55/558261855.db2.gz NHKRLBWZHJZZIL-IBGZPJMESA-N 1 1 419.529 2.901 50 0 HFAAMO CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@H](NC(=O)C[NH+]2CCC(O)CC2)C1 ZINC000011662821 558266480 /nfs/dbraw/zinc/26/64/80/558266480.db2.gz XWPKUAIHSCYGNM-LJQANCHMSA-N 1 1 400.498 2.598 50 0 HFAAMO COCc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)COc3ccccc3OC)C2)o1 ZINC000011813563 558278188 /nfs/dbraw/zinc/27/81/88/558278188.db2.gz BTNOVGQXYVHUKA-KRWDZBQOSA-N 1 1 402.491 2.842 50 0 HFAAMO O=C(NCCC[NH+]1CCOCC1)c1ccccc1NC(=O)c1ccc(F)cc1F ZINC000019835104 558292418 /nfs/dbraw/zinc/29/24/18/558292418.db2.gz DDLDJLLMFBXSRC-UHFFFAOYSA-N 1 1 403.429 2.669 50 0 HFAAMO Cc1oc(-c2ccc(F)cc2F)nc1C[N@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000011879209 558293882 /nfs/dbraw/zinc/29/38/82/558293882.db2.gz OGEHAQOFMSRTIY-HNNXBMFYSA-N 1 1 405.445 2.999 50 0 HFAAMO CN(Cc1cnn(C)c1)Cc1cc2ccc(F)cc2n(CC[NH+]2CCCCC2)c1=O ZINC000011880941 558295056 /nfs/dbraw/zinc/29/50/56/558295056.db2.gz MPEWTDKKMKGORM-UHFFFAOYSA-N 1 1 411.525 2.992 50 0 HFAAMO O[C@@H](C[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc2c(c1)OCCO2 ZINC000019924804 558307672 /nfs/dbraw/zinc/30/76/72/558307672.db2.gz XMQLESRIPICZMY-INIZCTEOSA-N 1 1 409.408 2.727 50 0 HFAAMO COc1ccccc1[C@@H](CNS(=O)(=O)c1ccc2c(c1)OCO2)[NH+]1CCCCC1 ZINC000011999447 558307810 /nfs/dbraw/zinc/30/78/10/558307810.db2.gz PDICWPNEFZEFLM-GOSISDBHSA-N 1 1 418.515 2.929 50 0 HFAAMO C[N@H+](CCC1CCOCC1)Cc1ccccc1OC[C@H](O)CN1CCSCC1 ZINC000012092370 558324506 /nfs/dbraw/zinc/32/45/06/558324506.db2.gz CVDFPDBWJMDWRC-OAQYLSRUSA-N 1 1 408.608 2.724 50 0 HFAAMO C[N@@H+](CCC1CCOCC1)Cc1ccccc1OC[C@H](O)CN1CCSCC1 ZINC000012092370 558324508 /nfs/dbraw/zinc/32/45/08/558324508.db2.gz CVDFPDBWJMDWRC-OAQYLSRUSA-N 1 1 408.608 2.724 50 0 HFAAMO CCOC(=O)CCNC(=O)N(C)C[C@@H]1CCC[N@@H+](CCc2ccc(OC)cc2)C1 ZINC000012111972 558326373 /nfs/dbraw/zinc/32/63/73/558326373.db2.gz QJGAPZKYIHUYAY-IBGZPJMESA-N 1 1 405.539 2.544 50 0 HFAAMO COc1ccccc1C(=O)NCc1nnc2n1CC[N@H+](Cc1ccc(C)cc1C)CC2 ZINC000020201079 558345605 /nfs/dbraw/zinc/34/56/05/558345605.db2.gz ITWRXCQHENQNEP-UHFFFAOYSA-N 1 1 419.529 2.892 50 0 HFAAMO O=C(NCc1ccc(F)cc1F)[C@H]1CCC[N@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000012209055 558353467 /nfs/dbraw/zinc/35/34/67/558353467.db2.gz CSMLDTLSFLITMS-KRWDZBQOSA-N 1 1 405.489 2.694 50 0 HFAAMO CCn1ccnc1CN(C)Cc1ccc(OC)c(OC[C@H](O)C[N@@H+](C)C(C)C)c1 ZINC000012297559 558367636 /nfs/dbraw/zinc/36/76/36/558367636.db2.gz HGZILRLLKXSKBF-LJQANCHMSA-N 1 1 404.555 2.624 50 0 HFAAMO CC[NH+]1CCN(C(=O)CCC2CCN(C(=O)c3ccc(OC)c(F)c3)CC2)CC1 ZINC000020453788 558367665 /nfs/dbraw/zinc/36/76/65/558367665.db2.gz INFCJGUNCYAXGX-UHFFFAOYSA-N 1 1 405.514 2.631 50 0 HFAAMO COc1ccc(CNC(=O)CC[C@H]2CCC[N@H+](Cc3nccn3C)C2)c(OC)c1 ZINC000012306380 558375319 /nfs/dbraw/zinc/37/53/19/558375319.db2.gz LRHWTLPIKKMEHV-QGZVFWFLSA-N 1 1 400.523 2.746 50 0 HFAAMO COc1ccc(CNC(=O)CC[C@H]2CCC[N@@H+](Cc3nccn3C)C2)c(OC)c1 ZINC000012306380 558375321 /nfs/dbraw/zinc/37/53/21/558375321.db2.gz LRHWTLPIKKMEHV-QGZVFWFLSA-N 1 1 400.523 2.746 50 0 HFAAMO COC(=O)c1ccc(-c2noc(C[NH+]3CCC([C@@H](O)c4cccnc4)CC3)n2)cc1 ZINC000012308401 558376693 /nfs/dbraw/zinc/37/66/93/558376693.db2.gz YPDRAAOIGWHZIY-HXUWFJFHSA-N 1 1 408.458 2.864 50 0 HFAAMO Cc1ccc(OCC(=O)Nc2ccc3c(c2)nc(CC[NH+]2CCOCC2)n3C)cc1 ZINC000020533289 558384556 /nfs/dbraw/zinc/38/45/56/558384556.db2.gz VBRUCRTXWDCPRT-UHFFFAOYSA-N 1 1 408.502 2.774 50 0 HFAAMO Cc1c(C)c(=O)oc2c(C)c(OC[C@@H](O)C[NH+]3CCN(c4ccccn4)CC3)ccc12 ZINC000020724470 558404141 /nfs/dbraw/zinc/40/41/41/558404141.db2.gz IIEQLWBXXMHXSA-IBGZPJMESA-N 1 1 423.513 2.675 50 0 HFAAMO C[N@@H+](CCO)[C@H]1CCc2c(sc3ncn(Cc4ccccc4Cl)c(=O)c32)C1 ZINC000012513033 558424236 /nfs/dbraw/zinc/42/42/36/558424236.db2.gz FDXPZKPSNVNAFV-AWEZNQCLSA-N 1 1 403.935 2.941 50 0 HFAAMO Cc1nc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)cc(N2CCOCC2)[nH+]1 ZINC000021795226 558449536 /nfs/dbraw/zinc/44/95/36/558449536.db2.gz UCBDASHTIPWXNI-UHFFFAOYSA-N 1 1 416.913 2.629 50 0 HFAAMO CCc1ccc(NC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]c(C)n3)CC2)cc1 ZINC000021795263 558449698 /nfs/dbraw/zinc/44/96/98/558449698.db2.gz RLGLEYCEPBLIDA-UHFFFAOYSA-N 1 1 410.522 2.538 50 0 HFAAMO COc1cc(OC)cc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cnc(SC)nc3)C2)c1 ZINC000012709080 558451412 /nfs/dbraw/zinc/45/14/12/558451412.db2.gz SCYCVVXZCORNKV-HNNXBMFYSA-N 1 1 416.547 2.858 50 0 HFAAMO COc1cc(OC)cc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cnc(SC)nc3)C2)c1 ZINC000012709080 558451413 /nfs/dbraw/zinc/45/14/13/558451413.db2.gz SCYCVVXZCORNKV-HNNXBMFYSA-N 1 1 416.547 2.858 50 0 HFAAMO C[C@@H]1C[C@@H](C)C[NH+](Cc2csc(NC(=O)CNC(=O)COc3ccccc3)n2)C1 ZINC000022296233 558477059 /nfs/dbraw/zinc/47/70/59/558477059.db2.gz XQECNDRSNLACAU-HZPDHXFCSA-N 1 1 416.547 2.755 50 0 HFAAMO Cc1ccc(C[N@@H+]2CCCN([C@@H](C)C(=O)Nc3sccc3C(N)=O)CC2)cc1 ZINC000022995721 558529756 /nfs/dbraw/zinc/52/97/56/558529756.db2.gz AOHPZOWPVHQVAH-INIZCTEOSA-N 1 1 400.548 2.690 50 0 HFAAMO CCCn1cc(CN2CC[N@H+](Cc3ccc(OC)c(C)c3)[C@@H](CCO)C2)c(C)n1 ZINC000023373266 558553155 /nfs/dbraw/zinc/55/31/55/558553155.db2.gz JBBMNCYWBJDTQX-QFIPXVFZSA-N 1 1 400.567 2.987 50 0 HFAAMO CCCn1cc(CN2CC[N@@H+](Cc3ccc(OC)c(C)c3)[C@@H](CCO)C2)c(C)n1 ZINC000023373266 558553158 /nfs/dbraw/zinc/55/31/58/558553158.db2.gz JBBMNCYWBJDTQX-QFIPXVFZSA-N 1 1 400.567 2.987 50 0 HFAAMO COC(=O)c1ccc(C[N@@H+]2CCN(Cc3ccc(OC)cc3F)[C@@H](CCO)C2)cc1 ZINC000023374968 558554509 /nfs/dbraw/zinc/55/45/09/558554509.db2.gz YPCUGQJLBKSGCM-FQEVSTJZSA-N 1 1 416.493 2.690 50 0 HFAAMO COC(=O)c1ccc(C[N@H+]2CCN(Cc3ccc(OC)cc3F)[C@@H](CCO)C2)cc1 ZINC000023374968 558554511 /nfs/dbraw/zinc/55/45/11/558554511.db2.gz YPCUGQJLBKSGCM-FQEVSTJZSA-N 1 1 416.493 2.690 50 0 HFAAMO O=C(COc1ccc2c(c1)OC1(CCCCC1)CC2=O)NCCC[NH+]1CCOCC1 ZINC000013655825 558558781 /nfs/dbraw/zinc/55/87/81/558558781.db2.gz HGLUYEWTWYSVHL-UHFFFAOYSA-N 1 1 416.518 2.572 50 0 HFAAMO O=C(COC(=O)c1csc2c1CCCC2)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000023674436 558567068 /nfs/dbraw/zinc/56/70/68/558567068.db2.gz YZFNQDKSNSLSKU-UHFFFAOYSA-N 1 1 420.575 2.935 50 0 HFAAMO CCc1c(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cnn1-c1ccc(OC)nn1 ZINC000024549310 558601074 /nfs/dbraw/zinc/60/10/74/558601074.db2.gz PVWPZNRNTQRTOO-SFHVURJKSA-N 1 1 424.505 2.783 50 0 HFAAMO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@H+](CCN1C(=O)NC(C)(C)C1=O)CC2 ZINC000024842734 558617258 /nfs/dbraw/zinc/61/72/58/558617258.db2.gz RTMWXVBQNNQEBA-NRFANRHFSA-N 1 1 423.513 2.982 50 0 HFAAMO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@@H+](CCN1C(=O)NC(C)(C)C1=O)CC2 ZINC000024842734 558617260 /nfs/dbraw/zinc/61/72/60/558617260.db2.gz RTMWXVBQNNQEBA-NRFANRHFSA-N 1 1 423.513 2.982 50 0 HFAAMO Cc1c(NC(=S)N2CC[NH+](Cc3ccccc3)CC2)c(=O)n(-c2ccccc2)n1C ZINC000025777754 558649611 /nfs/dbraw/zinc/64/96/11/558649611.db2.gz OEXWJTMFKJDNEY-UHFFFAOYSA-N 1 1 421.570 2.999 50 0 HFAAMO CC(C)CN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+](Cc1nccs1)CC2 ZINC000014743881 558668055 /nfs/dbraw/zinc/66/80/55/558668055.db2.gz JHTHVJJDGJTBGJ-UHFFFAOYSA-N 1 1 413.547 2.993 50 0 HFAAMO CCCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H]([N@H+](C)Cc1cscn1)C2 ZINC000014744171 558668270 /nfs/dbraw/zinc/66/82/70/558668270.db2.gz AZHAPUSGTYPIRD-MRXNPFEDSA-N 1 1 419.620 2.928 50 0 HFAAMO CCCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H]([N@@H+](C)Cc1cscn1)C2 ZINC000014744171 558668272 /nfs/dbraw/zinc/66/82/72/558668272.db2.gz AZHAPUSGTYPIRD-MRXNPFEDSA-N 1 1 419.620 2.928 50 0 HFAAMO CN(Cc1c(F)cccc1Cl)C(=O)C[NH+]1CCC(C(=O)NCC(F)(F)F)CC1 ZINC000027779152 558682350 /nfs/dbraw/zinc/68/23/50/558682350.db2.gz XRHBDBIDOLTTFS-UHFFFAOYSA-N 1 1 423.838 2.828 50 0 HFAAMO C[C@@H](C(=O)N1CCOCC1)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000027904814 558684276 /nfs/dbraw/zinc/68/42/76/558684276.db2.gz OLAJPLLQYOEVGW-KRWDZBQOSA-N 1 1 417.550 2.919 50 0 HFAAMO C[C@H](C(=O)N1CCOCC1)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000027904808 558684403 /nfs/dbraw/zinc/68/44/03/558684403.db2.gz OLAJPLLQYOEVGW-QGZVFWFLSA-N 1 1 417.550 2.919 50 0 HFAAMO Cc1ccc(C[N@@H+]2CCc3nnc(CCNC(=O)c4ccc(C)cc4)n3CC2)s1 ZINC000015001164 558697926 /nfs/dbraw/zinc/69/79/26/558697926.db2.gz HTFFRVSQIAOGBI-UHFFFAOYSA-N 1 1 409.559 2.987 50 0 HFAAMO CN1CC[NH+](CCCNC(=O)c2ccc(N3CCSc4ncccc43)s2)CC1 ZINC000022937532 558725481 /nfs/dbraw/zinc/72/54/81/558725481.db2.gz DMNAJFUNAJUREZ-UHFFFAOYSA-N 1 1 417.604 2.754 50 0 HFAAMO CCOC(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2ccc(OC)cc2OC)CC1 ZINC000015366826 558736247 /nfs/dbraw/zinc/73/62/47/558736247.db2.gz CGHGDYMPDLSHPC-LJQANCHMSA-N 1 1 404.507 2.642 50 0 HFAAMO CCOC(=O)C1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2ccc(OC)cc2OC)CC1 ZINC000015366826 558736250 /nfs/dbraw/zinc/73/62/50/558736250.db2.gz CGHGDYMPDLSHPC-LJQANCHMSA-N 1 1 404.507 2.642 50 0 HFAAMO CC[NH+]1CCN(C(=O)CCCc2nnc(C(=O)Nc3cccc(Cl)c3)s2)CC1 ZINC000032995213 558809513 /nfs/dbraw/zinc/80/95/13/558809513.db2.gz IHJKXWOFYKPNEY-UHFFFAOYSA-N 1 1 421.954 2.931 50 0 HFAAMO Cc1cc(C)c(OC[C@@H](O)C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)c(C)c1 ZINC000019367199 558877094 /nfs/dbraw/zinc/87/70/94/558877094.db2.gz AYCYOSZYAUIZTP-NRFANRHFSA-N 1 1 412.530 2.898 50 0 HFAAMO CC(C)CCNC(=O)N1CC[NH+](CCn2c(-c3ccncc3)nc3cccnc32)CC1 ZINC000033139800 558891696 /nfs/dbraw/zinc/89/16/96/558891696.db2.gz YIFIRKNCNBBCBD-UHFFFAOYSA-N 1 1 421.549 2.867 50 0 HFAAMO C[C@H](CNC(=O)c1cnnn1-c1ccccc1Cl)[NH+]1CCN(c2ccccc2)CC1 ZINC000058005317 558894418 /nfs/dbraw/zinc/89/44/18/558894418.db2.gz UHSNBGRUSJJRJJ-QGZVFWFLSA-N 1 1 424.936 2.861 50 0 HFAAMO COc1ccc(C2=NN(CC(=O)NCCC[N@@H+](C)Cc3ccccc3)C(=O)CC2)cc1 ZINC000004712561 558917846 /nfs/dbraw/zinc/91/78/46/558917846.db2.gz QAXHHEGZCJCUAX-UHFFFAOYSA-N 1 1 422.529 2.660 50 0 HFAAMO CCc1ccc(S(=O)(=O)N2CCN(c3cc[nH+]c(N4CCCCC4)n3)CC2)cc1 ZINC000072119147 558927943 /nfs/dbraw/zinc/92/79/43/558927943.db2.gz NXTIFOFZOGIQCJ-UHFFFAOYSA-N 1 1 415.563 2.540 50 0 HFAAMO COc1ccc(OCC[NH+]2CCN([C@H](C)C(=O)Nc3ccccc3F)CC2)cc1 ZINC000022024945 558984946 /nfs/dbraw/zinc/98/49/46/558984946.db2.gz UWRIMHBRZLHAMA-QGZVFWFLSA-N 1 1 401.482 2.858 50 0 HFAAMO C[N@H+]1C[C@@H](c2nc(C3CC3)no2)C2(C1)CCN(C(=O)c1ccc3c(c1)OCO3)CC2 ZINC000097096686 558992166 /nfs/dbraw/zinc/99/21/66/558992166.db2.gz CJXSJYCTIAPKFM-INIZCTEOSA-N 1 1 410.474 2.627 50 0 HFAAMO Cc1cc(N2CCC([N@H+]3CCC[C@@H](C(=O)NCCc4ccccc4)C3)CC2)ncn1 ZINC000082091884 559037154 /nfs/dbraw/zinc/03/71/54/559037154.db2.gz LGEJYMQKXMLQCV-OAQYLSRUSA-N 1 1 407.562 2.825 50 0 HFAAMO CC(C)(C)CC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000082107341 559038452 /nfs/dbraw/zinc/03/84/52/559038452.db2.gz SWWGIDVNWLRVDL-IBGZPJMESA-N 1 1 400.567 2.837 50 0 HFAAMO CCCCOC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082137168 559040241 /nfs/dbraw/zinc/04/02/41/559040241.db2.gz OKOCHTBUXZJAOQ-SFHVURJKSA-N 1 1 402.539 2.811 50 0 HFAAMO Cn1c2ccccc2c2c1c(=O)n(C)cc2C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000004787908 559064291 /nfs/dbraw/zinc/06/42/91/559064291.db2.gz JBBAFJSXCJTUBM-UHFFFAOYSA-N 1 1 402.498 2.892 50 0 HFAAMO COc1c(F)cc(C[N@@H+]2CC[C@H](N3CCOCC3)[C@H](CCCO)C2)cc1Cl ZINC000091390880 559071398 /nfs/dbraw/zinc/07/13/98/559071398.db2.gz RWXQNJIHRZGLHI-APWZRJJASA-N 1 1 400.922 2.783 50 0 HFAAMO COc1c(F)cc(C[N@H+]2CC[C@H](N3CCOCC3)[C@H](CCCO)C2)cc1Cl ZINC000091390880 559071400 /nfs/dbraw/zinc/07/14/00/559071400.db2.gz RWXQNJIHRZGLHI-APWZRJJASA-N 1 1 400.922 2.783 50 0 HFAAMO CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)C[N@H+](C)[C@H](C)CSC)c1 ZINC000072290426 559078424 /nfs/dbraw/zinc/07/84/24/559078424.db2.gz QTCSYXRJRVVVRD-CYBMUJFWSA-N 1 1 422.016 2.992 50 0 HFAAMO CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)C[N@@H+](C)[C@H](C)CSC)c1 ZINC000072290426 559078425 /nfs/dbraw/zinc/07/84/25/559078425.db2.gz QTCSYXRJRVVVRD-CYBMUJFWSA-N 1 1 422.016 2.992 50 0 HFAAMO CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)NCc2ccccc2)CC1 ZINC000095527730 559086228 /nfs/dbraw/zinc/08/62/28/559086228.db2.gz HWMBCWHHUXCALQ-NRFANRHFSA-N 1 1 400.567 2.989 50 0 HFAAMO O=C(C1CC[NH+](C2CCN(CCCc3ccccc3)CC2)CC1)N1CCC(O)CC1 ZINC000011662486 559128131 /nfs/dbraw/zinc/12/81/31/559128131.db2.gz JPMJLADCKWIWEY-UHFFFAOYSA-N 1 1 413.606 2.779 50 0 HFAAMO O=C(C1CCN(C2CC[NH+](CCCc3ccccc3)CC2)CC1)N1CCC(O)CC1 ZINC000011662486 559128132 /nfs/dbraw/zinc/12/81/32/559128132.db2.gz JPMJLADCKWIWEY-UHFFFAOYSA-N 1 1 413.606 2.779 50 0 HFAAMO OCC[C@@H]1C[N@H+](C2CCN(Cc3ccco3)CC2)CCN1Cc1ccccc1F ZINC000107100697 559164579 /nfs/dbraw/zinc/16/45/79/559164579.db2.gz UGSQTLAHKRLBSK-OAQYLSRUSA-N 1 1 401.526 2.952 50 0 HFAAMO OCC[C@@H]1CN(C2CC[NH+](Cc3ccco3)CC2)CCN1Cc1ccccc1F ZINC000107100697 559164580 /nfs/dbraw/zinc/16/45/80/559164580.db2.gz UGSQTLAHKRLBSK-OAQYLSRUSA-N 1 1 401.526 2.952 50 0 HFAAMO CC[C@@H]1CCCC[N@@H+]1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(C)cc1 ZINC000004930216 559209189 /nfs/dbraw/zinc/20/91/89/559209189.db2.gz AHRFYOGLERDGRS-GOSISDBHSA-N 1 1 409.534 2.555 50 0 HFAAMO CC[C@@H]1CCCC[N@H+]1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(C)cc1 ZINC000004930216 559209190 /nfs/dbraw/zinc/20/91/90/559209190.db2.gz AHRFYOGLERDGRS-GOSISDBHSA-N 1 1 409.534 2.555 50 0 HFAAMO C[C@@H]1CCC[N@@H+](CCCNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CCC2)C1 ZINC000004971564 559220616 /nfs/dbraw/zinc/22/06/16/559220616.db2.gz QXVMKCCDNUPOGW-QGZVFWFLSA-N 1 1 419.591 2.776 50 0 HFAAMO CCCC[N@@H+](C)CCCNC(=O)C1CCN(c2nnc(-n3cccc3)s2)CC1 ZINC000005144186 559252265 /nfs/dbraw/zinc/25/22/65/559252265.db2.gz JCNDBQUOGQOANI-UHFFFAOYSA-N 1 1 404.584 2.783 50 0 HFAAMO Cn1cccc1[C@@H](CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1)[NH+]1CCCC1 ZINC000011898265 559265512 /nfs/dbraw/zinc/26/55/12/559265512.db2.gz MRWMQAGPFWSQFX-QGZVFWFLSA-N 1 1 424.423 2.816 50 0 HFAAMO N=c1c2c(ncn1CCC[NH+]1CCOCC1)Oc1cc(O)ccc1[C@H]2c1ccco1 ZINC000005347944 560570852 /nfs/dbraw/zinc/57/08/52/560570852.db2.gz VSPRZTLMAHZVFE-IBGZPJMESA-N 1 1 408.458 2.669 50 0 HFAAMO Cc1ccc(C2N=NC(=S)N2CC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000017357986 560709990 /nfs/dbraw/zinc/70/99/90/560709990.db2.gz ZUWSOTIWDPYPAK-UHFFFAOYSA-N 1 1 407.543 2.887 50 0 HFAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CCCN(c2nnc(-n3cccc3)s2)C1 ZINC000103669560 560843871 /nfs/dbraw/zinc/84/38/71/560843871.db2.gz SFCSDARCGMZTKS-ROUUACIJSA-N 1 1 416.595 2.926 50 0 HFAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)ccn1 ZINC000047012357 560879746 /nfs/dbraw/zinc/87/97/46/560879746.db2.gz QXTWYQXYIVOEND-KRWDZBQOSA-N 1 1 409.515 2.806 50 0 HFAAMO Cc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000106535313 560892267 /nfs/dbraw/zinc/89/22/67/560892267.db2.gz QAJZBSFVLUGAKL-ORQYLMBXSA-N 1 1 405.429 2.565 50 0 HFAAMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000107178740 560895946 /nfs/dbraw/zinc/89/59/46/560895946.db2.gz VGALMWHJMZRZSC-XMODTWTHSA-N 1 1 419.456 2.874 50 0 HFAAMO CC(C)[C@H](CNC(=O)N1CCN(Cc2ccc(Cl)s2)CC1)[NH+]1CCOCC1 ZINC000045634660 568420376 /nfs/dbraw/zinc/42/03/76/568420376.db2.gz ZUIXWNCODJEFLJ-KRWDZBQOSA-N 1 1 415.003 2.586 50 0 HFAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000604405603 568492593 /nfs/dbraw/zinc/49/25/93/568492593.db2.gz RUEWZYYBAMNKLQ-XUVXKRRUSA-N 1 1 417.550 2.749 50 0 biogenic HFAAMO Cc1[nH]nc(-c2ccc(F)cc2)c1CC(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000095477417 568630849 /nfs/dbraw/zinc/63/08/49/568630849.db2.gz UFMJOTBBRVVRAJ-UHFFFAOYSA-N 1 1 407.493 2.849 50 0 HFAAMO CCN1CC[NH+](CCCNC(=O)Nc2cn(CC(C)C)c(=O)c3ccccc23)CC1 ZINC000020941430 568652684 /nfs/dbraw/zinc/65/26/84/568652684.db2.gz WKZCYDLTCVQJSD-UHFFFAOYSA-N 1 1 413.566 2.807 50 0 HFAAMO O=C(NCC[NH+]1CCCC1)c1cccc(CN2CCN(Cc3ccccc3)CC2)c1 ZINC000096281078 568718378 /nfs/dbraw/zinc/71/83/78/568718378.db2.gz DZKLXINKBANOMO-UHFFFAOYSA-N 1 1 406.574 2.830 50 0 HFAAMO Cc1nc(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)nn1-c1ccc(Cl)cc1 ZINC000025407990 568768525 /nfs/dbraw/zinc/76/85/25/568768525.db2.gz CJUJCEVZQIUCQI-ZIAGYGMSSA-N 1 1 405.930 2.847 50 0 HFAAMO CC[C@@H]1C[N@@H+](CC(C)(C)O)[C@@H](CC)CN1C(=O)Nc1ccc(-n2nccn2)cc1 ZINC000230255725 568856879 /nfs/dbraw/zinc/85/68/79/568856879.db2.gz PJCJLBWSTCSOOH-ZWKOTPCHSA-N 1 1 400.527 2.745 50 0 HFAAMO CC(=O)NCc1ccc(S(=O)(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)s1 ZINC000030372432 568862728 /nfs/dbraw/zinc/86/27/28/568862728.db2.gz FGOJTECVVLNVFN-UHFFFAOYSA-N 1 1 421.588 2.589 50 0 HFAAMO CC(=O)NCc1ccc(S(=O)(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)s1 ZINC000030372432 568862730 /nfs/dbraw/zinc/86/27/30/568862730.db2.gz FGOJTECVVLNVFN-UHFFFAOYSA-N 1 1 421.588 2.589 50 0 HFAAMO O=C(NC[C@H]([C@H]1CCOC1)[NH+]1CCOCC1)Nc1ccccc1N1CCCCCC1 ZINC000057914609 568867763 /nfs/dbraw/zinc/86/77/63/568867763.db2.gz UDKKHCUXBMLPTI-SIKLNZKXSA-N 1 1 416.566 2.926 50 0 HFAAMO O=C(N[C@@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3)c1ccc2ncsc2c1 ZINC000670433758 568868822 /nfs/dbraw/zinc/86/88/22/568868822.db2.gz WMUIFKAZVVKZKD-VSZUSUSQSA-N 1 1 404.539 2.594 50 0 HFAAMO CCc1cc(C[NH+]2CCC(N3C[C@H](COc4ccc(F)cc4)OCC3=O)CC2)on1 ZINC000299779000 568875010 /nfs/dbraw/zinc/87/50/10/568875010.db2.gz RHRFRGXROQITKZ-OAQYLSRUSA-N 1 1 417.481 2.647 50 0 HFAAMO Cc1csc(C[NH+]2CCC(N3C[C@@H](COc4ccc(F)cc4)OCC3=O)CC2)n1 ZINC000299798052 568876471 /nfs/dbraw/zinc/87/64/71/568876471.db2.gz QTGOHCCCTMVCBJ-IBGZPJMESA-N 1 1 419.522 2.861 50 0 HFAAMO CCOC(=O)CCN(C[C@H]1CCC[N@H+]1CC)C(=O)c1cc2c(c(Cl)c1)OCO2 ZINC000058023152 568878164 /nfs/dbraw/zinc/87/81/64/568878164.db2.gz WMAXYZNBNMPAOY-OAHLLOKOSA-N 1 1 410.898 2.948 50 0 HFAAMO CCCC[N@@H+](CCCNC(=O)[C@H]1CCCN(S(=O)(=O)CC)C1)Cc1ccccc1 ZINC000004034564 568879123 /nfs/dbraw/zinc/87/91/23/568879123.db2.gz SXNNKZCMZXPEDV-NRFANRHFSA-N 1 1 423.623 2.857 50 0 HFAAMO CC(C)NS(=O)(=O)c1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000012764833 568947550 /nfs/dbraw/zinc/94/75/50/568947550.db2.gz JKMUUPJTLRSIPY-HXUWFJFHSA-N 1 1 401.532 2.502 50 0 HFAAMO CC(C)NS(=O)(=O)c1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000012764833 568947551 /nfs/dbraw/zinc/94/75/51/568947551.db2.gz JKMUUPJTLRSIPY-HXUWFJFHSA-N 1 1 401.532 2.502 50 0 HFAAMO CCOc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2cccc(S(N)(=O)=O)c2)cc1 ZINC000015548289 568949006 /nfs/dbraw/zinc/94/90/06/568949006.db2.gz LVCIOSRNSSMZGX-LJQANCHMSA-N 1 1 403.504 2.508 50 0 HFAAMO CCOc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2cccc(S(N)(=O)=O)c2)cc1 ZINC000015548289 568949007 /nfs/dbraw/zinc/94/90/07/568949007.db2.gz LVCIOSRNSSMZGX-LJQANCHMSA-N 1 1 403.504 2.508 50 0 HFAAMO C[C@@H]1C[C@H](C)C[N@@H+](Cc2nc3c(c(=O)n(C)c(=O)n3C)n2C/C=C/c2ccccc2)C1 ZINC000004314033 568961367 /nfs/dbraw/zinc/96/13/67/568961367.db2.gz DVZNEGHPWFZBIS-VKABTOIXSA-N 1 1 421.545 2.625 50 0 HFAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2nc3c(c(=O)n(C)c(=O)n3C)n2C/C=C/c2ccccc2)C1 ZINC000004314033 568961368 /nfs/dbraw/zinc/96/13/68/568961368.db2.gz DVZNEGHPWFZBIS-VKABTOIXSA-N 1 1 421.545 2.625 50 0 HFAAMO Cc1ccc(NC(=O)CN(C)[C@@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000012803823 568979437 /nfs/dbraw/zinc/97/94/37/568979437.db2.gz SVKIGEXRPWUYEL-FQEVSTJZSA-N 1 1 408.546 2.598 50 0 HFAAMO CC[NH+]1CCN(C(=O)c2cc3c(ccn(Cc4ccc(OC)cc4)c3=O)nc2C)CC1 ZINC000063652874 569000769 /nfs/dbraw/zinc/00/07/69/569000769.db2.gz IYVDTYCTLSXKDW-UHFFFAOYSA-N 1 1 420.513 2.540 50 0 HFAAMO CC(C)Cn1nc(CC(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)c2ccccc2c1=O ZINC000085876330 569009440 /nfs/dbraw/zinc/00/94/40/569009440.db2.gz MUHVFQMKVBWERM-PGRDOPGGSA-N 1 1 410.562 2.976 50 0 biogenic HFAAMO O=C(CN1CCC(C(=O)Nc2ccccc2)CC1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012912261 569021800 /nfs/dbraw/zinc/02/18/00/569021800.db2.gz DDAJJQYXETXIEP-QHCPKHFHSA-N 1 1 420.557 2.728 50 0 HFAAMO C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC000012931562 569024777 /nfs/dbraw/zinc/02/47/77/569024777.db2.gz MRPJXIORIHVKOO-CQSZACIVSA-N 1 1 413.440 2.603 50 0 HFAAMO O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000228763843 569040310 /nfs/dbraw/zinc/04/03/10/569040310.db2.gz VZNDQIRDQSINJJ-RTBURBONSA-N 1 1 417.937 2.550 50 0 HFAAMO O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000228763843 569040311 /nfs/dbraw/zinc/04/03/11/569040311.db2.gz VZNDQIRDQSINJJ-RTBURBONSA-N 1 1 417.937 2.550 50 0 HFAAMO Cc1nc(Nc2ccccn2)cc(NCCNS(=O)(=O)c2cccc(Cl)c2)[nH+]1 ZINC000090607966 569042158 /nfs/dbraw/zinc/04/21/58/569042158.db2.gz OVGCONSRRFTUBW-UHFFFAOYSA-N 1 1 418.910 2.967 50 0 HFAAMO Cc1onc(-c2ccc(Br)cc2)c1C(=O)NCCC[NH+]1CCOCC1 ZINC000035536670 569043618 /nfs/dbraw/zinc/04/36/18/569043618.db2.gz XHERPWFGVGOQFW-UHFFFAOYSA-N 1 1 408.296 2.865 50 0 HFAAMO C[NH+](C)[C@H](CNC(=O)CCNC(=O)c1ccc(Br)cc1)c1ccco1 ZINC000013008395 569049838 /nfs/dbraw/zinc/04/98/38/569049838.db2.gz VVHOICLHLJYYPN-OAHLLOKOSA-N 1 1 408.296 2.581 50 0 HFAAMO O[C@@H](COc1ccc(Oc2ccccc2)cc1)C[NH+]1CCN(c2ncccn2)CC1 ZINC000013013118 569050669 /nfs/dbraw/zinc/05/06/69/569050669.db2.gz RGNARYFLBDPMNC-LJQANCHMSA-N 1 1 406.486 2.831 50 0 HFAAMO CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000245242264 569055333 /nfs/dbraw/zinc/05/53/33/569055333.db2.gz SSLMCJSQHOSGLP-IZZGNVEXSA-N 1 1 415.493 2.989 50 0 HFAAMO Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000248337521 569057715 /nfs/dbraw/zinc/05/77/15/569057715.db2.gz QDMNMWPJLHBOTO-RAZUEPIFSA-N 1 1 419.456 2.874 50 0 HFAAMO COc1ccccc1CNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000035807269 569060813 /nfs/dbraw/zinc/06/08/13/569060813.db2.gz ZDCGAEULNLJTAZ-NHCUHLMSSA-N 1 1 409.530 2.557 50 0 HFAAMO COc1ccc2c(c1)N1CC[N@H+](Cc3ccc(F)cc3)C[C@@H]1[C@H](C(=O)NC1CC1)C2 ZINC000035871765 569064116 /nfs/dbraw/zinc/06/41/16/569064116.db2.gz PYTYLAWISNEDST-FYYLOGMGSA-N 1 1 409.505 2.976 50 0 HFAAMO O[C@H](COc1ccc(Cl)cc1)C[N@@H+](CCN1CCOCC1)Cc1ccccc1 ZINC000036096723 569090331 /nfs/dbraw/zinc/09/03/31/569090331.db2.gz DTBXFVSFBACKQT-NRFANRHFSA-N 1 1 404.938 2.914 50 0 HFAAMO Cn1ncc2c3ccccc3n(CC(=O)NCCC[N@@H+](C)Cc3ccccc3)c2c1=O ZINC000064775898 569093712 /nfs/dbraw/zinc/09/37/12/569093712.db2.gz KNBGPIBZBZMPDM-UHFFFAOYSA-N 1 1 417.513 2.527 50 0 HFAAMO COc1ccc(COC[C@H](O)C[N@@H+](C)Cc2ccc(OC)c(OC)c2)cc1OC ZINC000006936809 569185154 /nfs/dbraw/zinc/18/51/54/569185154.db2.gz RZZAXLRVMLRAID-GOSISDBHSA-N 1 1 405.491 2.731 50 0 HFAAMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)Cn1c2cccnc2n(-c2ccccc2)c1=O ZINC000065202550 569195257 /nfs/dbraw/zinc/19/52/57/569195257.db2.gz XNMQXRBMJUIFDY-GOSISDBHSA-N 1 1 407.518 2.568 50 0 HFAAMO O=C(NCCC[NH+]1CCOCC1)[C@@H]1CN(C(=O)c2cccs2)CC12CCCCC2 ZINC000065266236 569213049 /nfs/dbraw/zinc/21/30/49/569213049.db2.gz GSFJXODWRPHJQH-SFHVURJKSA-N 1 1 419.591 2.609 50 0 biogenic HFAAMO O=C(Cc1ccsc1)N1CCC[N@@H+]([C@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000065293297 569218419 /nfs/dbraw/zinc/21/84/19/569218419.db2.gz OERMPKMNNIWBET-FQEVSTJZSA-N 1 1 415.534 2.765 50 0 HFAAMO O=C(Cc1ccsc1)N1CCC[N@H+]([C@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000065293297 569218420 /nfs/dbraw/zinc/21/84/20/569218420.db2.gz OERMPKMNNIWBET-FQEVSTJZSA-N 1 1 415.534 2.765 50 0 HFAAMO C[N@H+]1CCC[C@@H]1CNC(=O)CCCOc1ccc(I)cc1 ZINC000065553325 569235350 /nfs/dbraw/zinc/23/53/50/569235350.db2.gz QDVHQCAZSSOOQE-CQSZACIVSA-N 1 1 402.276 2.661 50 0 HFAAMO COc1ccc(-c2noc(C[N@@H+]3CCC[C@@H]3C[C@H](O)c3cnn(C)c3)n2)cc1OC ZINC000170591267 569240694 /nfs/dbraw/zinc/24/06/94/569240694.db2.gz ROWKYNUBEUMJSZ-SJORKVTESA-N 1 1 413.478 2.575 50 0 HFAAMO COc1ccc(-c2noc(C[N@H+]3CCC[C@@H]3C[C@H](O)c3cnn(C)c3)n2)cc1OC ZINC000170591267 569240695 /nfs/dbraw/zinc/24/06/95/569240695.db2.gz ROWKYNUBEUMJSZ-SJORKVTESA-N 1 1 413.478 2.575 50 0 HFAAMO COc1cc2nc(C)c(NC[C@H](O)C[N@H+]3CCc4ccccc4C3)nc2cc1OC ZINC000170601985 569243379 /nfs/dbraw/zinc/24/33/79/569243379.db2.gz PYJADNQYVNGFSC-SFHVURJKSA-N 1 1 408.502 2.787 50 0 HFAAMO CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)CCc1nc(C(C)(C)C)no1 ZINC000089977218 569270390 /nfs/dbraw/zinc/27/03/90/569270390.db2.gz YJYREDMTHNNESK-INIZCTEOSA-N 1 1 408.543 2.566 50 0 HFAAMO COc1ccc(C)cc1NC(=O)C(=O)NCCC[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000017026217 569271855 /nfs/dbraw/zinc/27/18/55/569271855.db2.gz FZRMGVIFSKJWGN-OAQYLSRUSA-N 1 1 411.502 2.522 50 0 HFAAMO COc1ccc(C)cc1NC(=O)C(=O)NCCC[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000017026217 569271857 /nfs/dbraw/zinc/27/18/57/569271857.db2.gz FZRMGVIFSKJWGN-OAQYLSRUSA-N 1 1 411.502 2.522 50 0 HFAAMO Cc1ccc2[nH]c3c(c2c1)CN(C(=O)C[N@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)CC3 ZINC000002087720 569279955 /nfs/dbraw/zinc/27/99/55/569279955.db2.gz FAHKQVDBQYDALV-MSOLQXFVSA-N 1 1 416.525 2.642 50 0 biogenic HFAAMO COc1ccccc1CN1C[C@H](C(=O)N(C)C[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1=O ZINC000253412623 569366617 /nfs/dbraw/zinc/36/66/17/569366617.db2.gz ROLNIKUSFKSQFW-CEWLAPEOSA-N 1 1 413.562 2.767 50 0 biogenic HFAAMO CC[N@H+]1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3C)cc2)[C@@H](C)C1 ZINC000253417687 569367235 /nfs/dbraw/zinc/36/72/35/569367235.db2.gz AJIWWRUQQILUDT-KRWDZBQOSA-N 1 1 401.532 2.962 50 0 HFAAMO CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccccc2C[NH2+]1)C(=O)NCc1ccccc1OC ZINC000253487681 569381765 /nfs/dbraw/zinc/38/17/65/569381765.db2.gz NYRGXQKQJYLSSV-AQKFKSFVSA-N 1 1 409.530 2.557 50 0 HFAAMO O=C(CSc1nnnn1C1CCCCC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000027811631 569396706 /nfs/dbraw/zinc/39/67/06/569396706.db2.gz QYDDIZSLOLTAFC-QGZVFWFLSA-N 1 1 400.552 2.661 50 0 HFAAMO CCN(CC)S(=O)(=O)c1cccc(NC(=O)C[N@H+](C)Cc2ccc(OC)cc2)c1 ZINC000013095628 569408815 /nfs/dbraw/zinc/40/88/15/569408815.db2.gz VHMWVAYUDWMIST-UHFFFAOYSA-N 1 1 419.547 2.796 50 0 HFAAMO CCN(CC)S(=O)(=O)c1cccc(NC(=O)C[N@@H+](C)Cc2ccc(OC)cc2)c1 ZINC000013095628 569408816 /nfs/dbraw/zinc/40/88/16/569408816.db2.gz VHMWVAYUDWMIST-UHFFFAOYSA-N 1 1 419.547 2.796 50 0 HFAAMO O=S(=O)(CCc1ccccc1)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000079001525 569423352 /nfs/dbraw/zinc/42/33/52/569423352.db2.gz IQYLQLYZENAJTI-UHFFFAOYSA-N 1 1 413.543 2.958 50 0 HFAAMO Cc1ccc(NC(=O)C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)cc1S(=O)(=O)N(C)C ZINC000079053498 569425802 /nfs/dbraw/zinc/42/58/02/569425802.db2.gz NKJCUTHRRPOFAJ-IRXDYDNUSA-N 1 1 411.593 2.544 50 0 HFAAMO Cc1ccc(NC(=O)C[N@H+]2CCS[C@H]3CCCC[C@@H]32)cc1S(=O)(=O)N(C)C ZINC000079053498 569425803 /nfs/dbraw/zinc/42/58/03/569425803.db2.gz NKJCUTHRRPOFAJ-IRXDYDNUSA-N 1 1 411.593 2.544 50 0 HFAAMO COc1ccc(NC(=O)CNC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000079492460 569432425 /nfs/dbraw/zinc/43/24/25/569432425.db2.gz FVEOWHWLLOLNAB-UHFFFAOYSA-N 1 1 416.909 2.815 50 0 HFAAMO CCC[N@@H+]1CCc2nc(SCC(=O)Nc3ccc(OC)cc3OC)[nH]c(=O)c2C1 ZINC000067291707 571067355 /nfs/dbraw/zinc/06/73/55/571067355.db2.gz UIUNNQWKUZBUGY-UHFFFAOYSA-N 1 1 418.519 2.698 50 0 HFAAMO CCC[N@H+]1CCc2nc(SCC(=O)Nc3ccc(OC)cc3OC)[nH]c(=O)c2C1 ZINC000067291707 571067356 /nfs/dbraw/zinc/06/73/56/571067356.db2.gz UIUNNQWKUZBUGY-UHFFFAOYSA-N 1 1 418.519 2.698 50 0 HFAAMO CCC[N@H+]1CCc2nc(SCC(=O)NCc3ccc(F)cc3F)[nH]c(=O)c2C1 ZINC000067291930 571068022 /nfs/dbraw/zinc/06/80/22/571068022.db2.gz XDEFRJSODZKKCA-UHFFFAOYSA-N 1 1 408.474 2.637 50 0 HFAAMO C[N@@H+](CCOc1ccc(Cl)cc1)Cc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000008532440 571074755 /nfs/dbraw/zinc/07/47/55/571074755.db2.gz PFTJGDOWJHCPPP-UHFFFAOYSA-N 1 1 424.950 2.872 50 0 HFAAMO Cc1cccc(S(=O)(=O)c2cnc(N3CC[NH+](C4CCCCC4)CC3)nc2N)c1 ZINC000067336389 571080113 /nfs/dbraw/zinc/08/01/13/571080113.db2.gz RYWIXYQMUJTLMP-UHFFFAOYSA-N 1 1 415.563 2.655 50 0 HFAAMO C[C@]12CCC(=O)N1[C@H](C(=O)N1CC[NH+](Cc3csc4ccccc34)CC1)CS2 ZINC000040013338 571138421 /nfs/dbraw/zinc/13/84/21/571138421.db2.gz VBAUWIYDLOWASR-UWJYYQICSA-N 1 1 415.584 3.000 50 0 HFAAMO C[C@]12CCC(=O)N1[C@@H](C(=O)N1CC[NH+](Cc3csc4ccccc34)CC1)CS2 ZINC000040013341 571138662 /nfs/dbraw/zinc/13/86/62/571138662.db2.gz VBAUWIYDLOWASR-UTKZUKDTSA-N 1 1 415.584 3.000 50 0 HFAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000040115555 571173332 /nfs/dbraw/zinc/17/33/32/571173332.db2.gz NMBZJTUCMYZPGD-INIZCTEOSA-N 1 1 415.519 2.838 50 0 HFAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000040115555 571173334 /nfs/dbraw/zinc/17/33/34/571173334.db2.gz NMBZJTUCMYZPGD-INIZCTEOSA-N 1 1 415.519 2.838 50 0 HFAAMO O=C(CCc1ccccc1)NC1CC[NH+](CC(=O)N2CCc3ccccc3C2)CC1 ZINC000040120473 571176524 /nfs/dbraw/zinc/17/65/24/571176524.db2.gz IFVDTIKUKHMDKA-UHFFFAOYSA-N 1 1 405.542 2.785 50 0 HFAAMO Cc1cc(NC(=O)CCc2c(C)nc3nc(C[NH3+])nn3c2C)ccc1Br ZINC000009407432 571255465 /nfs/dbraw/zinc/25/54/65/571255465.db2.gz MSUNOJKSZXCRSA-UHFFFAOYSA-N 1 1 417.311 2.842 50 0 HFAAMO Cc1nc2nc(C[NH3+])nn2c(C)c1CCC(=O)Nc1cccc(Br)c1 ZINC000009407442 571255494 /nfs/dbraw/zinc/25/54/94/571255494.db2.gz BORUYWZSYBVLQX-UHFFFAOYSA-N 1 1 403.284 2.534 50 0 HFAAMO Cc1nc2nc(C[NH3+])nn2c(C)c1CCC(=O)Nc1ccc(Br)cc1 ZINC000009407395 571255498 /nfs/dbraw/zinc/25/54/98/571255498.db2.gz SRPXYIVCEXHYOJ-UHFFFAOYSA-N 1 1 403.284 2.534 50 0 HFAAMO O=C(Cn1cnc2ccccc21)N1CC[NH+](CCn2ccnc2-c2ccccc2)CC1 ZINC000077158646 571311852 /nfs/dbraw/zinc/31/18/52/571311852.db2.gz WPLKQPKZOBRUJB-UHFFFAOYSA-N 1 1 414.513 2.744 50 0 HFAAMO CCC(CC)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CC[NH+](C)CC1 ZINC000009376837 132339230 /nfs/dbraw/zinc/33/92/30/132339230.db2.gz BHICOCWOGCWVEF-UHFFFAOYSA-N 1 1 424.611 2.844 50 0 HFAAMO C[C@@H]([NH2+]CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21)c1ccc(Cl)cc1Cl ZINC000012853508 132367872 /nfs/dbraw/zinc/36/78/72/132367872.db2.gz AHMPCEAJPXPBAA-PIGZYNQJSA-N 1 1 408.285 2.924 50 0 HFAAMO CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000040009636 518807696 /nfs/dbraw/zinc/80/76/96/518807696.db2.gz BLSQKOSFFVGYIO-SFHVURJKSA-N 1 1 409.571 2.785 50 0 HFAAMO CC(C)C[C@H](CNC(=O)[C@@H](C)NC(=O)C12CC3CC(CC(C3)C1)C2)[NH+]1CCOCC1 ZINC000032909734 519349628 /nfs/dbraw/zinc/34/96/28/519349628.db2.gz SGMNPTMTGDYUMD-IFKSIJSSSA-N 1 1 419.610 2.571 50 0 HFAAMO CC(=O)Nc1ccc(C[N@@H+]2CCN(Cc3ccc(F)c(F)c3)[C@@H](CCO)C2)cc1 ZINC000020599169 519716407 /nfs/dbraw/zinc/71/64/07/519716407.db2.gz RQJLKORDBQSUTN-FQEVSTJZSA-N 1 1 403.473 2.992 50 0 HFAAMO CC(=O)Nc1ccc(C[N@H+]2CCN(Cc3ccc(F)c(F)c3)[C@@H](CCO)C2)cc1 ZINC000020599169 519716409 /nfs/dbraw/zinc/71/64/09/519716409.db2.gz RQJLKORDBQSUTN-FQEVSTJZSA-N 1 1 403.473 2.992 50 0 HFAAMO CCC(=O)Nc1ccc2c(c1)nc1n2CC(=O)N(C[C@@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000032124496 521219699 /nfs/dbraw/zinc/21/96/99/521219699.db2.gz NVXMWPFVIMTPPT-QFBILLFUSA-N 1 1 409.534 2.992 50 0 biogenic HFAAMO CCN1CC[NH+](CCCNC(=O)c2csc(COc3ccc(C)cc3)n2)CC1 ZINC000032915222 521681638 /nfs/dbraw/zinc/68/16/38/521681638.db2.gz LMNXOLCXZJMXQC-UHFFFAOYSA-N 1 1 402.564 2.788 50 0 HFAAMO CC[C@@](C)(CNC(=O)c1cccc(I)c1)[NH+]1CCOCC1 ZINC000031929659 523639508 /nfs/dbraw/zinc/63/95/08/523639508.db2.gz HEDMPTUZZOKIIP-INIZCTEOSA-N 1 1 402.276 2.522 50 0 HFAAMO C[C@H](CNC(=O)c1ccc(I)cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000032828401 524462717 /nfs/dbraw/zinc/46/27/17/524462717.db2.gz LDRFUFTZDPEKSX-UPJWGTAASA-N 1 1 402.276 2.519 50 0 HFAAMO C[C@H](CNC(=O)c1ccc(I)cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000032828401 524462727 /nfs/dbraw/zinc/46/27/27/524462727.db2.gz LDRFUFTZDPEKSX-UPJWGTAASA-N 1 1 402.276 2.519 50 0 HFAAMO Cc1c(C)n(CC[NH+]2CCOCC2)c2ncn3nc(COc4ccccc4)nc3c12 ZINC000020591417 525682741 /nfs/dbraw/zinc/68/27/41/525682741.db2.gz YHFUSYVLPOMNOC-UHFFFAOYSA-N 1 1 406.490 2.607 50 0 HFAAMO O=C(NCCc1ccc(O)cc1)c1coc(CN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000020600884 526410616 /nfs/dbraw/zinc/41/06/16/526410616.db2.gz QMRRQLDOPFCPLP-UHFFFAOYSA-N 1 1 420.513 2.671 50 0 HFAAMO COc1ccc(CN(C(=O)C2CC2)c2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000034675501 557363579 /nfs/dbraw/zinc/36/35/79/557363579.db2.gz KDFHIRJYMJQUGN-UHFFFAOYSA-N 1 1 421.541 2.955 50 0 HFAAMO CC[NH+]1CCN(C(=O)[C@H]2COC3(CCC(C)CC3)N2C(=O)c2ccccc2F)CC1 ZINC000034920958 557483537 /nfs/dbraw/zinc/48/35/37/557483537.db2.gz YJRXUQMYODTWGT-WEQDKIBNSA-N 1 1 417.525 2.737 50 0 HFAAMO CCOC(=O)c1ccc(N2C(=O)C[C@@H]([NH+]3CCC(c4ccncc4)CC3)C2=O)cc1 ZINC000004707967 557585172 /nfs/dbraw/zinc/58/51/72/557585172.db2.gz CSRSRGXHZNRMCC-HXUWFJFHSA-N 1 1 407.470 2.770 50 0 HFAAMO CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@@H](NC(=O)C[NH+]2CCC(O)CC2)C1 ZINC000011662822 558266503 /nfs/dbraw/zinc/26/65/03/558266503.db2.gz XWPKUAIHSCYGNM-IBGZPJMESA-N 1 1 400.498 2.598 50 0 HFAAMO CC1=C(CC[N@@H+]2CCc3nnc(CNC(=O)[C@H]4CCOC4)n3CC2)C(C)(C)CCC1 ZINC000011783026 558275120 /nfs/dbraw/zinc/27/51/20/558275120.db2.gz BYXZNNZHSLCPGE-SFHVURJKSA-N 1 1 415.582 2.706 50 0 HFAAMO Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2C[N@H+](C)C[C@@H]1COCCO1 ZINC000019792782 558283397 /nfs/dbraw/zinc/28/33/97/558283397.db2.gz PVQOCNLSHKZVJU-GOSISDBHSA-N 1 1 400.523 2.506 50 0 HFAAMO Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2C[N@@H+](C)C[C@@H]1COCCO1 ZINC000019792782 558283400 /nfs/dbraw/zinc/28/34/00/558283400.db2.gz PVQOCNLSHKZVJU-GOSISDBHSA-N 1 1 400.523 2.506 50 0 HFAAMO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C)CC2)c2cccc(Cl)c2)cc1 ZINC000019800160 558285288 /nfs/dbraw/zinc/28/52/88/558285288.db2.gz OJJHGESTIUKQOJ-UHFFFAOYSA-N 1 1 421.950 2.618 50 0 HFAAMO COc1ccccc1-n1cc(C(=O)NCC[N@H+]2Cc3ccccc3O[C@@H](C)C2)cn1 ZINC000011981903 558306083 /nfs/dbraw/zinc/30/60/83/558306083.db2.gz WEVMJNIHKZQFSX-KRWDZBQOSA-N 1 1 406.486 2.894 50 0 HFAAMO COc1ccccc1-n1cc(C(=O)NCC[N@@H+]2Cc3ccccc3O[C@@H](C)C2)cn1 ZINC000011981903 558306086 /nfs/dbraw/zinc/30/60/86/558306086.db2.gz WEVMJNIHKZQFSX-KRWDZBQOSA-N 1 1 406.486 2.894 50 0 HFAAMO Cc1cc(=O)oc2cc(OC[C@H](O)C[NH+]3CCN(c4ccc(F)cc4)CC3)ccc12 ZINC000019909119 558306207 /nfs/dbraw/zinc/30/62/07/558306207.db2.gz JFIRXVDEZJPDCW-LJQANCHMSA-N 1 1 412.461 2.802 50 0 HFAAMO COc1cccc(OC)c1C[N@H+]1CCc2nnc([C@H](CC(C)C)NC(C)=O)n2CC1 ZINC000012034964 558311544 /nfs/dbraw/zinc/31/15/44/558311544.db2.gz USQJKULFZGZJFQ-SFHVURJKSA-N 1 1 415.538 2.577 50 0 HFAAMO COc1cccc(OC)c1C[N@@H+]1CCc2nnc([C@H](CC(C)C)NC(C)=O)n2CC1 ZINC000012034964 558311547 /nfs/dbraw/zinc/31/15/47/558311547.db2.gz USQJKULFZGZJFQ-SFHVURJKSA-N 1 1 415.538 2.577 50 0 HFAAMO O=C(NCc1cccc(F)c1F)[C@@H]1CCC[N@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000012052829 558314955 /nfs/dbraw/zinc/31/49/55/558314955.db2.gz YMDLSOJCJOYGLV-QGZVFWFLSA-N 1 1 405.489 2.694 50 0 HFAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1c(=O)cc(C)n(CCc2ccccc2OC)c1C ZINC000012159515 558341403 /nfs/dbraw/zinc/34/14/03/558341403.db2.gz CHFFXVJTLRKICA-HXUWFJFHSA-N 1 1 411.546 2.931 50 0 HFAAMO COC[C@@H]1CCC[N@H+](Cc2ccc3c(c2)CN(C(=O)CN2CCCCC2)CCO3)C1 ZINC000012162051 558341926 /nfs/dbraw/zinc/34/19/26/558341926.db2.gz QFZMVJIPHFJTFP-OAQYLSRUSA-N 1 1 415.578 2.752 50 0 HFAAMO COC[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CN(C(=O)CN2CCCCC2)CCO3)C1 ZINC000012162051 558341927 /nfs/dbraw/zinc/34/19/27/558341927.db2.gz QFZMVJIPHFJTFP-OAQYLSRUSA-N 1 1 415.578 2.752 50 0 HFAAMO COc1cccc(CN2C[C@H](C(=O)N3CCC[N@H+](C4CCCC4)CC3)CCC2=O)c1 ZINC000020211688 558347820 /nfs/dbraw/zinc/34/78/20/558347820.db2.gz YFINRDRUBLJPIN-HXUWFJFHSA-N 1 1 413.562 2.911 50 0 HFAAMO O=C(NCCc1nnc2n1CC[N@H+](Cc1cc3ccccc3o1)CC2)c1ccco1 ZINC000020450855 558365509 /nfs/dbraw/zinc/36/55/09/558365509.db2.gz FBDFJFCCQCLYFQ-UHFFFAOYSA-N 1 1 405.458 2.648 50 0 HFAAMO C[NH+]1CCC(N2CCC(Oc3cccc(C(=O)NCCc4ccccn4)c3)CC2)CC1 ZINC000012301964 558371569 /nfs/dbraw/zinc/37/15/69/558371569.db2.gz NEXYIEKRADHWLG-UHFFFAOYSA-N 1 1 422.573 2.992 50 0 HFAAMO Cc1ncc(CN2CCC([NH+]3CCC(C(=O)NCCc4ccccc4)CC3)CC2)[nH]1 ZINC000012317519 558380802 /nfs/dbraw/zinc/38/08/02/558380802.db2.gz FXZBVRIJUCTNHS-UHFFFAOYSA-N 1 1 409.578 2.753 50 0 HFAAMO CCN1CCN(C[C@H](O)COc2ccc(C[NH2+]C3CCCCCC3)cc2OC)CC1 ZINC000020513470 558382541 /nfs/dbraw/zinc/38/25/41/558382541.db2.gz KZQOSMZXNOIAGR-QFIPXVFZSA-N 1 1 419.610 2.885 50 0 HFAAMO COCCN(C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1)C(=O)c1cc(C)nn1C ZINC000012431946 558406436 /nfs/dbraw/zinc/40/64/36/558406436.db2.gz KTJGHTOACLWNDM-IBGZPJMESA-N 1 1 410.562 2.697 50 0 HFAAMO CC[N@H+]1CCC[C@H](CN(C)Cc2cnc(S(=O)(=O)CC)n2Cc2ccccc2)C1 ZINC000012433866 558407799 /nfs/dbraw/zinc/40/77/99/558407799.db2.gz FOOOMQOSADHZGM-HXUWFJFHSA-N 1 1 418.607 2.889 50 0 HFAAMO COCCc1ncc(C[N@H+]2CCC[C@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)cn1 ZINC000012456995 558417498 /nfs/dbraw/zinc/41/74/98/558417498.db2.gz DCBILYAYHQAZLL-IBGZPJMESA-N 1 1 420.517 2.702 50 0 HFAAMO C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)N3CCSc4ncccc43)cc2)CC1 ZINC000020939681 558424588 /nfs/dbraw/zinc/42/45/88/558424588.db2.gz FEFKXXYIJDUTEO-UHFFFAOYSA-N 1 1 411.531 2.542 50 0 HFAAMO Cc1cc(C)c(C[N@@H+]2CCc3nnc(CCNC(=O)c4ccoc4)n3CC2)cc1C ZINC000020997598 558427077 /nfs/dbraw/zinc/42/70/77/558427077.db2.gz KVFXJBYHXAFQKI-UHFFFAOYSA-N 1 1 407.518 2.827 50 0 HFAAMO COc1cccc(C[N@H+]2CCC[C@@]3(CCN(C(=O)c4snnc4C)C3)C2)c1OC ZINC000012581548 558432713 /nfs/dbraw/zinc/43/27/13/558432713.db2.gz GAVJICDNADQKTL-OAQYLSRUSA-N 1 1 416.547 2.992 50 0 HFAAMO O=C(C1=NNC(=O)CC1)N1CCC([C@@H]2CC[N@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC000012760075 558460910 /nfs/dbraw/zinc/46/09/10/558460910.db2.gz YIPKDYJLAAVNSI-QGZVFWFLSA-N 1 1 402.926 2.667 50 0 HFAAMO Cc1ccccc1NC(=O)c1c2c(sc1NC(=O)CN1CC[NH+](C)CC1)CCC2 ZINC000022576972 558499693 /nfs/dbraw/zinc/49/96/93/558499693.db2.gz CISXNPSOYFONRF-UHFFFAOYSA-N 1 1 412.559 2.983 50 0 HFAAMO O=C(CC[NH+]1CCN(CC(=O)N2CCCCC2)CC1)Nc1cccc2ccccc21 ZINC000022932718 558525011 /nfs/dbraw/zinc/52/50/11/558525011.db2.gz IIOZHZZOPQAYDU-UHFFFAOYSA-N 1 1 408.546 2.799 50 0 HFAAMO O=C(CN1CC[NH+](C[C@H](O)c2ccccc2)CC1)Nc1ccccc1C(F)(F)F ZINC000022934376 558525771 /nfs/dbraw/zinc/52/57/71/558525771.db2.gz NIHLXKHKRJXTGP-IBGZPJMESA-N 1 1 407.436 2.995 50 0 HFAAMO COc1ccc(C(=O)Nc2ccc3c(c2)nc(CC[NH+]2CCN(C)CC2)n3C)cc1 ZINC000022939882 558527658 /nfs/dbraw/zinc/52/76/58/558527658.db2.gz NQVSDSSQUUQXOE-UHFFFAOYSA-N 1 1 407.518 2.624 50 0 HFAAMO COc1cc(=O)n2c(c1C(=O)N1CCCC1)CC[N@H+](Cc1ccc(C)s1)CC2 ZINC000023128987 558536546 /nfs/dbraw/zinc/53/65/46/558536546.db2.gz YXFUEAOIVAQLTQ-UHFFFAOYSA-N 1 1 401.532 2.521 50 0 HFAAMO COc1ccc(OCC[NH+]2CCN([C@@H](C(=O)NC3CC3)c3ccccc3)CC2)cc1 ZINC000023731897 558571511 /nfs/dbraw/zinc/57/15/11/558571511.db2.gz MCXCTUXKZUFOTE-HSZRJFAPSA-N 1 1 409.530 2.712 50 0 HFAAMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)Cn1c(-c2ccccc2)cc2ccccc21 ZINC000023873197 558579138 /nfs/dbraw/zinc/57/91/38/558579138.db2.gz GWOXHTCKKPVUBO-UHFFFAOYSA-N 1 1 404.514 2.541 50 0 HFAAMO Cc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000024116553 558590002 /nfs/dbraw/zinc/59/00/02/558590002.db2.gz YPCPNCGLTOQDCJ-PYCFMQQDSA-N 1 1 407.514 2.604 50 0 HFAAMO CC(C)C[C@@H](CNC(=O)NCc1cccc(NC(=O)C2CC2)c1)[NH+]1CCOCC1 ZINC000026304081 558658845 /nfs/dbraw/zinc/65/88/45/558658845.db2.gz KQTMHZZRKBWPCL-FQEVSTJZSA-N 1 1 402.539 2.581 50 0 HFAAMO C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)C[N@H+](Cc2ccccc2)C2CC2)C1=O ZINC000026918444 558666940 /nfs/dbraw/zinc/66/69/40/558666940.db2.gz UDKPHGCQVUOPGT-XMMPIXPASA-N 1 1 420.513 2.626 50 0 HFAAMO C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)C[N@@H+](Cc2ccccc2)C2CC2)C1=O ZINC000026918444 558666942 /nfs/dbraw/zinc/66/69/42/558666942.db2.gz UDKPHGCQVUOPGT-XMMPIXPASA-N 1 1 420.513 2.626 50 0 HFAAMO CCN1CC[NH+](CCCNC(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)CC1 ZINC000022936549 558672993 /nfs/dbraw/zinc/67/29/93/558672993.db2.gz MYCNJSBQHQDICG-UHFFFAOYSA-N 1 1 424.524 2.560 50 0 HFAAMO CC(C)C[C@H](NC(=O)c1cccnc1)c1nnc2n1CC[N@@H+](Cc1ccoc1)CC2 ZINC000014999818 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CZYAETBKUNDSJV-AWEZNQCLSA-N 1 1 402.458 2.544 50 0 HFAAMO CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000248317510 559270530 /nfs/dbraw/zinc/27/05/30/559270530.db2.gz MZSUUEUZRZOAQA-ROUUACIJSA-N 1 1 402.491 2.539 50 0 HFAAMO CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000248317510 559270531 /nfs/dbraw/zinc/27/05/31/559270531.db2.gz MZSUUEUZRZOAQA-ROUUACIJSA-N 1 1 402.491 2.539 50 0 HFAAMO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000005684669 560781777 /nfs/dbraw/zinc/78/17/77/560781777.db2.gz ZOPZNBBJXXJODP-FPOVZHCZSA-N 1 1 413.543 2.693 50 0 HFAAMO C[N@@H+]1CCN(C(=O)C[C@@H](NC(N)=O)c2ccccc2Cl)[C@@H](c2ccccc2)C1 ZINC000105708710 560876896 /nfs/dbraw/zinc/87/68/96/560876896.db2.gz KURDBSUABPTSCX-RTBURBONSA-N 1 1 400.910 2.955 50 0 HFAAMO C[N@H+]1CCN(C(=O)C[C@@H](NC(N)=O)c2ccccc2Cl)[C@@H](c2ccccc2)C1 ZINC000105708710 560876898 /nfs/dbraw/zinc/87/68/98/560876898.db2.gz KURDBSUABPTSCX-RTBURBONSA-N 1 1 400.910 2.955 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COc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)Nc2cccc(S(N)(=O)=O)c2)cc1 ZINC000008325433 568497922 /nfs/dbraw/zinc/49/79/22/568497922.db2.gz MDJFAVOCFVPVQW-FQEVSTJZSA-N 1 1 417.531 2.898 50 0 HFAAMO COc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)Nc2cccc(S(N)(=O)=O)c2)cc1 ZINC000008325433 568497924 /nfs/dbraw/zinc/49/79/24/568497924.db2.gz MDJFAVOCFVPVQW-FQEVSTJZSA-N 1 1 417.531 2.898 50 0 HFAAMO Cn1c2ccccc2c2c1c(=O)n(C)cc2C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020137356 568590167 /nfs/dbraw/zinc/59/01/67/568590167.db2.gz REWSHMZWJQQWRN-UHFFFAOYSA-N 1 1 414.509 2.988 50 0 HFAAMO CC[NH+]1CCN(C(=O)[C@@H](C)n2c(C)c3cnn(-c4ccccc4)c(=O)c3c2C)CC1 ZINC000020416897 568606380 /nfs/dbraw/zinc/60/63/80/568606380.db2.gz YFHAJWKJKDKBPW-GOSISDBHSA-N 1 1 407.518 2.529 50 0 HFAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)Cc1nn(Cc2ccccc2)c(=O)c2ccccc12 ZINC000095472818 568628068 /nfs/dbraw/zinc/62/80/68/568628068.db2.gz APPIQNWCIKBERB-LJQANCHMSA-N 1 1 404.514 2.588 50 0 HFAAMO CSCC[C@H](NC(=O)c1ccccc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000021005196 568657652 /nfs/dbraw/zinc/65/76/52/568657652.db2.gz IWKZZTZGBGPJLC-NRFANRHFSA-N 1 1 411.571 2.883 50 0 HFAAMO CC[C@@H]1C[N@@H+](CC(C)(C)O)[C@H](CC)CN1c1cc(C)nc2nc(C(F)(F)F)nn21 ZINC000225813531 568676679 /nfs/dbraw/zinc/67/66/79/568676679.db2.gz QGLINCGPSOVOPE-ZIAGYGMSSA-N 1 1 414.476 2.902 50 0 HFAAMO CC(C)[C@@H](C(=O)N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000095995511 568678368 /nfs/dbraw/zinc/67/83/68/568678368.db2.gz SWLOFRKQOCEFLW-LFDJNIOPSA-N 1 1 411.587 2.882 50 0 HFAAMO CC(C)[C@@H](C(=O)N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000095995511 568678371 /nfs/dbraw/zinc/67/83/71/568678371.db2.gz SWLOFRKQOCEFLW-LFDJNIOPSA-N 1 1 411.587 2.882 50 0 HFAAMO COCC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)C1 ZINC000096000149 568680772 /nfs/dbraw/zinc/68/07/72/568680772.db2.gz OLFUDGOCDIOBKB-CYBMUJFWSA-N 1 1 402.886 2.675 50 0 HFAAMO COCC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)C1 ZINC000096000149 568680775 /nfs/dbraw/zinc/68/07/75/568680775.db2.gz OLFUDGOCDIOBKB-CYBMUJFWSA-N 1 1 402.886 2.675 50 0 HFAAMO O=C(CCCNC(=O)c1ccc(F)cc1F)N1CC[NH+](Cc2ccccc2)CC1 ZINC000021298842 568687316 /nfs/dbraw/zinc/68/73/16/568687316.db2.gz BXYOFYURFLPQQV-UHFFFAOYSA-N 1 1 401.457 2.819 50 0 HFAAMO COc1ccc([C@@H](CC(=O)N2CC[NH+](C)CC2)N2Cc3ccccc3C2=O)cc1OC ZINC000021530527 568710598 /nfs/dbraw/zinc/71/05/98/568710598.db2.gz ZLIDNIOGBKCYRA-HXUWFJFHSA-N 1 1 423.513 2.565 50 0 HFAAMO CC(C)Cn1nc(CC(=O)NC[C@H]2CCC[N@H+]3CCCC[C@H]23)c2ccccc2c1=O ZINC000096343877 568737195 /nfs/dbraw/zinc/73/71/95/568737195.db2.gz MUHVFQMKVBWERM-XMSQKQJNSA-N 1 1 410.562 2.976 50 0 HFAAMO Cn1ncc2c1nc(NCCC[NH+]1CCOCC1)nc2Nc1ccc(Cl)cc1 ZINC000021928501 568761635 /nfs/dbraw/zinc/76/16/35/568761635.db2.gz FGKHNAIHVNOIAI-UHFFFAOYSA-N 1 1 401.902 2.895 50 0 HFAAMO C[C@@H](Nc1cccc(N2CCCC2=O)c1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000052774774 568835858 /nfs/dbraw/zinc/83/58/58/568835858.db2.gz MEFUTAFETXBZAV-LJQANCHMSA-N 1 1 406.530 2.958 50 0 HFAAMO Cn1cc(S(=O)(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)cc1C(N)=O ZINC000029966352 568854015 /nfs/dbraw/zinc/85/40/15/568854015.db2.gz MLBBQDDXHDNUQK-UHFFFAOYSA-N 1 1 404.536 2.689 50 0 HFAAMO COc1ccc(Cl)cc1C(=O)N[C@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000670440762 568890174 /nfs/dbraw/zinc/89/01/74/568890174.db2.gz DRKIRUPBPSRYKR-JCVMYPOKSA-N 1 1 411.933 2.646 50 0 HFAAMO O=C(N[C@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3)c1cc(-c2ccccc2)no1 ZINC000670441047 568891503 /nfs/dbraw/zinc/89/15/03/568891503.db2.gz QFZJBZJDRPNJSD-VMQIMYIWSA-N 1 1 414.509 2.639 50 0 HFAAMO O=C(N[C@@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3)c1ccc(-c2cnco2)cc1 ZINC000670451189 568926148 /nfs/dbraw/zinc/92/61/48/568926148.db2.gz VNHOLSTUWIVNRY-JKJRPBHFSA-N 1 1 414.509 2.639 50 0 HFAAMO COc1c2c(cc3c1[C@H](C[C@@](C)(NC=O)C(=O)CC1CCCC1)[N@H+](C)CC3)OCO2 ZINC000004090638 568942210 /nfs/dbraw/zinc/94/22/10/568942210.db2.gz FPAPHBQBVPMACY-GAJHUEQPSA-N 1 1 416.518 2.997 50 0 biogenic HFAAMO COc1c2c(cc3c1[C@H](C[C@@](C)(NC=O)C(=O)CC1CCCC1)[N@@H+](C)CC3)OCO2 ZINC000004090638 568942212 /nfs/dbraw/zinc/94/22/12/568942212.db2.gz FPAPHBQBVPMACY-GAJHUEQPSA-N 1 1 416.518 2.997 50 0 biogenic HFAAMO CCn1nnnc1SCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000012782398 568958627 /nfs/dbraw/zinc/95/86/27/568958627.db2.gz OFWALBDBISSISB-UHFFFAOYSA-N 1 1 422.558 2.719 50 0 HFAAMO CC[C@H](C(=O)NCCC[N@@H+](CC)Cc1ccccc1)N1c2cc(C)nn2CCC1=O ZINC000015728729 568979066 /nfs/dbraw/zinc/97/90/66/568979066.db2.gz RQBMGSJWJUWQSJ-HXUWFJFHSA-N 1 1 411.550 2.735 50 0 HFAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(c2ncnc3onc(C)c32)CC1 ZINC000015728864 568979275 /nfs/dbraw/zinc/97/92/75/568979275.db2.gz WWYWHTOLKHCCAS-GOSISDBHSA-N 1 1 414.554 2.913 50 0 HFAAMO Cc1cccc(NC(=O)CN(C)[C@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000012805304 568979766 /nfs/dbraw/zinc/97/97/66/568979766.db2.gz ULOLFPMJTBKKCW-OAQYLSRUSA-N 1 1 422.573 2.907 50 0 HFAAMO COc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000008187965 568980693 /nfs/dbraw/zinc/98/06/93/568980693.db2.gz UPLAETHCWRJMHV-FQEVSTJZSA-N 1 1 417.531 2.898 50 0 HFAAMO COc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000008187965 568980694 /nfs/dbraw/zinc/98/06/94/568980694.db2.gz UPLAETHCWRJMHV-FQEVSTJZSA-N 1 1 417.531 2.898 50 0 HFAAMO COc1cc(CN2CC[N@H+](Cc3cccc(C)n3)[C@H](CCO)C2)c(Cl)cc1O ZINC000104496425 569008766 /nfs/dbraw/zinc/00/87/66/569008766.db2.gz IQICKZHZXSSQJO-GOSISDBHSA-N 1 1 405.926 2.826 50 0 HFAAMO COc1cc(CN2CC[N@@H+](Cc3cccc(C)n3)[C@H](CCO)C2)c(Cl)cc1O ZINC000104496425 569008767 /nfs/dbraw/zinc/00/87/67/569008767.db2.gz IQICKZHZXSSQJO-GOSISDBHSA-N 1 1 405.926 2.826 50 0 HFAAMO CC[C@H](C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)n1ncn2c3ccoc3cc2c1=O ZINC000015943738 569024453 /nfs/dbraw/zinc/02/44/53/569024453.db2.gz XYZIQXAOCVCUHG-IXDOHACOSA-N 1 1 413.522 2.678 50 0 HFAAMO C[C@H](NC(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)c1ccc2c(c1)OCO2 ZINC000025061949 569033177 /nfs/dbraw/zinc/03/31/77/569033177.db2.gz MGAZOXRGCDNTAJ-FUHWJXTLSA-N 1 1 409.486 2.943 50 0 HFAAMO Cc1cccc(-c2ccc(N3CCC[C@H](C(=O)NCCC[NH+]4CCOCC4)C3)nn2)c1 ZINC000035398228 569035094 /nfs/dbraw/zinc/03/50/94/569035094.db2.gz HMKUBZPVXCCEPK-NRFANRHFSA-N 1 1 423.561 2.507 50 0 HFAAMO O=C(CN1CCN(C(=O)c2ccccc2)CC1)Nc1c2c([nH+]c3c1CCCC3)CCC2 ZINC000035406229 569035896 /nfs/dbraw/zinc/03/58/96/569035896.db2.gz YHJGFGLFKJEQFU-UHFFFAOYSA-N 1 1 418.541 2.846 50 0 HFAAMO CC[C@@H](C)[C@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)NCc1ccc(OC)cc1 ZINC000035485143 569039683 /nfs/dbraw/zinc/03/96/83/569039683.db2.gz DOMWJOMKBNBKDW-XGRCMKMKSA-N 1 1 409.530 2.557 50 0 biogenic HFAAMO Cc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@H+]2[C@]32c3ccccc3NC2=O)c1C ZINC000035779869 569047989 /nfs/dbraw/zinc/04/79/89/569047989.db2.gz GVWZADMWGSTISR-CMCWBKRRSA-N 1 1 401.466 2.735 50 0 biogenic HFAAMO NC(=O)C[C@@H](c1cc(F)c(F)c(F)c1)c1oc(C[NH+]2CCCCC2)cc(=O)c1O ZINC000253409745 569051428 /nfs/dbraw/zinc/05/14/28/569051428.db2.gz MIIVGOIVTHTSMS-ZDUSSCGKSA-N 1 1 410.392 2.756 50 0 HFAAMO O=C(c1ccc(N2CC[N@H+]3CCC[C@H]3C2)nc1)N1CCC(CCn2cccn2)CC1 ZINC000240163527 569054579 /nfs/dbraw/zinc/05/45/79/569054579.db2.gz JBNVNIZEWZLHCD-NRFANRHFSA-N 1 1 408.550 2.505 50 0 HFAAMO CC[C@H](C)[C@@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)NCc1ccc(OC)cc1 ZINC000035807132 569060853 /nfs/dbraw/zinc/06/08/53/569060853.db2.gz DOMWJOMKBNBKDW-WQTXXOFMSA-N 1 1 409.530 2.557 50 0 HFAAMO CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000035851818 569063055 /nfs/dbraw/zinc/06/30/55/569063055.db2.gz JGNGGJRBZOPUSD-MTXNFPGFSA-N 1 1 419.456 2.819 50 0 HFAAMO COc1ccccc1N1CC[NH+](C[C@H]2CN(C(=O)c3ccccc3C)CCO2)CC1 ZINC000035863673 569063245 /nfs/dbraw/zinc/06/32/45/569063245.db2.gz PHAQKENYAAOLAA-FQEVSTJZSA-N 1 1 409.530 2.667 50 0 HFAAMO CCC(=O)N(CCOC)Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1 ZINC000036312090 569132682 /nfs/dbraw/zinc/13/26/82/569132682.db2.gz CFUAETKFPLAENJ-UHFFFAOYSA-N 1 1 404.486 2.618 50 0 HFAAMO COc1cc(-c2ccno2)ccc1S(=O)(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000064979547 569140945 /nfs/dbraw/zinc/14/09/45/569140945.db2.gz QINQPHJHFYVPTP-UHFFFAOYSA-N 1 1 405.520 2.989 50 0 HFAAMO COc1ccc(C2=NN(C(=O)CN3CC[NH+](C)CC3)[C@@H](c3ccccc3)C2)c(OC)c1 ZINC000036341654 569142159 /nfs/dbraw/zinc/14/21/59/569142159.db2.gz AJVYNWXPXSPQSC-JOCHJYFZSA-N 1 1 422.529 2.629 50 0 HFAAMO CC[NH+]1CCN(C(=O)c2ccc3c(c2)nc2n3CCN(C3CCCCC3)C2=O)CC1 ZINC000065172577 569189844 /nfs/dbraw/zinc/18/98/44/569189844.db2.gz OUWWTRMVNDUYDX-UHFFFAOYSA-N 1 1 409.534 2.603 50 0 HFAAMO Cc1nc(-c2cccnc2N2CCC(C(=O)NCC[N@@H+]3CCCC[C@@H]3C)CC2)no1 ZINC000065227636 569200466 /nfs/dbraw/zinc/20/04/66/569200466.db2.gz YUUPSORQDHRPGQ-INIZCTEOSA-N 1 1 412.538 2.647 50 0 HFAAMO CCOc1ccc(NC(=O)C[NH+]2CCC(C)CC2)cc1S(=O)(=O)N1CCCC1 ZINC000007460035 569239824 /nfs/dbraw/zinc/23/98/24/569239824.db2.gz OXFOBBXUMFYTPK-UHFFFAOYSA-N 1 1 409.552 2.540 50 0 HFAAMO COc1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2C)cc1S(=O)(=O)N1CCCCC1 ZINC000007486676 569240952 /nfs/dbraw/zinc/24/09/52/569240952.db2.gz GUQROJUTCZORSM-MRXNPFEDSA-N 1 1 409.552 2.683 50 0 HFAAMO COc1ccc(NC(=O)C[N@H+]2CCCC[C@H]2C)cc1S(=O)(=O)N1CCCCC1 ZINC000007486676 569240953 /nfs/dbraw/zinc/24/09/53/569240953.db2.gz GUQROJUTCZORSM-MRXNPFEDSA-N 1 1 409.552 2.683 50 0 HFAAMO COc1cc2c(cc1OC)-c1n[nH]c(C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@@H]34)c1C2 ZINC000252570387 569294281 /nfs/dbraw/zinc/29/42/81/569294281.db2.gz WPRZBWYTAKIREU-KSSFIOAISA-N 1 1 410.518 2.992 50 0 HFAAMO CC[NH+]1CCN(C(=O)c2ccccc2N2CCC(NC(=O)c3ccccc3)CC2)CC1 ZINC000037524856 569303762 /nfs/dbraw/zinc/30/37/62/569303762.db2.gz VJJQYDVZHJNDPH-UHFFFAOYSA-N 1 1 420.557 2.863 50 0 HFAAMO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CCCN3Cc3ccccc3)cc2)C1 ZINC000195529916 569312015 /nfs/dbraw/zinc/31/20/15/569312015.db2.gz FSYUFJPGQWHLDD-GGAORHGYSA-N 1 1 420.557 2.987 50 0 HFAAMO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3CCCN3Cc3ccccc3)cc2)C1 ZINC000195529916 569312017 /nfs/dbraw/zinc/31/20/17/569312017.db2.gz FSYUFJPGQWHLDD-GGAORHGYSA-N 1 1 420.557 2.987 50 0 HFAAMO CC(C)C[NH+]1CCN([C@H]2CCOC3(CCN(C(=O)c4ccncc4)CC3)C2)CC1 ZINC000581820216 569321125 /nfs/dbraw/zinc/32/11/25/569321125.db2.gz YMGRNMJFHJGIFM-NRFANRHFSA-N 1 1 400.567 2.509 50 0 HFAAMO CC[C@H](C)[C@@H](NC(=O)[C@H]1Cc2ccccc2C[NH2+]1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000253487848 569381774 /nfs/dbraw/zinc/38/17/74/569381774.db2.gz RVKGMCXDGHVMIK-FIKMYACPSA-N 1 1 409.486 2.599 50 0 HFAAMO C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000008727145 571108771 /nfs/dbraw/zinc/10/87/71/571108771.db2.gz BPDWURUGTBZNBM-FZKQIMNGSA-N 1 1 408.458 2.792 50 0 HFAAMO C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000008727145 571108775 /nfs/dbraw/zinc/10/87/75/571108775.db2.gz BPDWURUGTBZNBM-FZKQIMNGSA-N 1 1 408.458 2.792 50 0 HFAAMO CCc1ccc([C@H]([NH2+]CC(=O)N(C)[C@H]2CCS(=O)(=O)C2)c2cccs2)cc1 ZINC000039990634 571136648 /nfs/dbraw/zinc/13/66/48/571136648.db2.gz XMMQJULDTHWQQE-PXNSSMCTSA-N 1 1 406.573 2.635 50 0 HFAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)Cc2csc(NC(=O)c3ccco3)n2)ccn1 ZINC000040115746 571173296 /nfs/dbraw/zinc/17/32/96/571173296.db2.gz XGKYDNMDULBNFT-UHFFFAOYSA-N 1 1 422.470 2.736 50 0 HFAAMO NS(=O)(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@@H](c3cc4ccccc4[nH]3)C2)c1 ZINC000040135397 571188301 /nfs/dbraw/zinc/18/83/01/571188301.db2.gz GTIFKELJCAIBLI-MRXNPFEDSA-N 1 1 412.515 2.633 50 0 HFAAMO NS(=O)(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@@H](c3cc4ccccc4[nH]3)C2)c1 ZINC000040135397 571188304 /nfs/dbraw/zinc/18/83/04/571188304.db2.gz GTIFKELJCAIBLI-MRXNPFEDSA-N 1 1 412.515 2.633 50 0 HFAAMO Cc1n[nH]c(=O)c(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1C ZINC000040139441 571189349 /nfs/dbraw/zinc/18/93/49/571189349.db2.gz VJNXAAVHNFWEIH-UHFFFAOYSA-N 1 1 402.498 2.934 50 0 HFAAMO Cc1ccc(NC(=O)C[NH+]2CCC(C(=O)NCc3ccc4c(c3)OCO4)CC2)cc1 ZINC000009069045 571218182 /nfs/dbraw/zinc/21/81/82/571218182.db2.gz IEECISWRYKWICH-UHFFFAOYSA-N 1 1 409.486 2.691 50 0 HFAAMO Cc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@@H+]2[C@@]32C(=O)Nc3ccc(F)cc32)c1C ZINC000009266052 571244117 /nfs/dbraw/zinc/24/41/17/571244117.db2.gz YGYZTFOHAYDOBI-CMCWBKRRSA-N 1 1 419.456 2.874 50 0 HFAAMO Cc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@H+]2[C@@]32C(=O)Nc3ccc(F)cc32)c1C ZINC000009266052 571244118 /nfs/dbraw/zinc/24/41/18/571244118.db2.gz YGYZTFOHAYDOBI-CMCWBKRRSA-N 1 1 419.456 2.874 50 0 HFAAMO O=S(=O)(NCC[NH+]1CCC(c2cccs2)CC1)c1ccc2c(c1)OCCO2 ZINC000077104189 571311678 /nfs/dbraw/zinc/31/16/78/571311678.db2.gz MXJSWRBTEATJNR-UHFFFAOYSA-N 1 1 408.545 2.677 50 0 HFAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000035261155 571316665 /nfs/dbraw/zinc/31/66/65/571316665.db2.gz YWZNYNJDQGSVGC-OAHLLOKOSA-N 1 1 413.971 2.729 50 0 HFAAMO O=C(C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)N1CCN(c2ccccc2)CC1 ZINC000008213909 132328753 /nfs/dbraw/zinc/32/87/53/132328753.db2.gz MCMMSHFBEVOSJZ-OAQYLSRUSA-N 1 1 407.514 2.944 50 0 HFAAMO 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406.490 2.886 50 0 HFAAMO Cc1cccc(S(=O)(=O)N2CCN(c3cc(N4CCCCC4)nc(C)[nH+]3)CC2)c1 ZINC000015671276 558748488 /nfs/dbraw/zinc/74/84/88/558748488.db2.gz CFOIBGHWDQGHKT-UHFFFAOYSA-N 1 1 415.563 2.595 50 0 HFAAMO Cc1cc(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)n2nc(-c3ccco3)nc2n1 ZINC000015780396 558753475 /nfs/dbraw/zinc/75/34/75/558753475.db2.gz COKJUCVARLDLDI-UHFFFAOYSA-N 1 1 418.457 2.744 50 0 HFAAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)Cn1nnc(-c2ccccc2F)n1 ZINC000004580797 558766913 /nfs/dbraw/zinc/76/69/13/558766913.db2.gz FSCVDPOZJLMSOL-XLIONFOSSA-N 1 1 406.465 2.622 50 0 HFAAMO O=C(Nc1cccc(C(=O)OCC[NH+]2CCN(c3ccccc3)CC2)c1)[C@@H]1CCCO1 ZINC000072310738 558777860 /nfs/dbraw/zinc/77/78/60/558777860.db2.gz PDIGUQPSSLSOPR-QFIPXVFZSA-N 1 1 423.513 2.783 50 0 HFAAMO O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000072312727 558838061 /nfs/dbraw/zinc/83/80/61/558838061.db2.gz KEMWHPDEOVFBIK-UGKGYDQZSA-N 1 1 403.542 2.970 50 0 HFAAMO C[NH+]1CCN(Cc2c(=O)c3ccccc3oc2NC(=O)C(Cl)(Cl)Cl)CC1 ZINC000019203149 558847626 /nfs/dbraw/zinc/84/76/26/558847626.db2.gz VINZOGLFQSGJKC-UHFFFAOYSA-N 1 1 418.708 2.849 50 0 HFAAMO CCS(=O)(=O)c1ncc(CN(C)C[C@H]2CCC[N@H+]2C)n1CCCc1ccccc1 ZINC000019336697 558870193 /nfs/dbraw/zinc/87/01/93/558870193.db2.gz RCYLHPSFZKYAJD-HXUWFJFHSA-N 1 1 418.607 2.836 50 0 HFAAMO O=C(Cn1cnc2ccccc21)N1CCC[C@@H]([NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000055089164 558871843 /nfs/dbraw/zinc/87/18/43/558871843.db2.gz ZLSNOHPQPKMFCL-LJQANCHMSA-N 1 1 421.520 2.989 50 0 HFAAMO Cc1ccc(OCCCN(C)C(=O)c2cnc(N3CC[NH+](C)CC3)nc2C)cc1C ZINC000055099036 558872081 /nfs/dbraw/zinc/87/20/81/558872081.db2.gz LXYZWPSSHQXING-UHFFFAOYSA-N 1 1 411.550 2.695 50 0 HFAAMO CCCCN(C)C(=O)c1nc2ccccn2c1C[NH+]1CCC(C(=O)OCC)CC1 ZINC000055134419 558873829 /nfs/dbraw/zinc/87/38/29/558873829.db2.gz NZMJALVEGIONCI-UHFFFAOYSA-N 1 1 400.523 2.982 50 0 HFAAMO Cc1cc(OC[C@@H](O)C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)ccc1Cl ZINC000019363099 558876595 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411.550 2.713 50 0 HFAAMO CCCCCC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000082161933 559041949 /nfs/dbraw/zinc/04/19/49/559041949.db2.gz NSZFQCLGKZRXDY-HXUWFJFHSA-N 1 1 400.567 2.981 50 0 HFAAMO O=C(NCCc1ccccn1)[C@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000082172094 559042201 /nfs/dbraw/zinc/04/22/01/559042201.db2.gz XFQMSULXLWMZSU-NRFANRHFSA-N 1 1 407.562 2.512 50 0 HFAAMO COCC(C)(C)NC(=O)[C@@H]1CCC[N@@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC000091382193 559071373 /nfs/dbraw/zinc/07/13/73/559071373.db2.gz DSIDNXFBGJUNJJ-OAQYLSRUSA-N 1 1 413.606 2.871 50 0 HFAAMO COCC(C)(C)NC(=O)[C@@H]1CCC[N@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC000091382193 559071375 /nfs/dbraw/zinc/07/13/75/559071375.db2.gz DSIDNXFBGJUNJJ-OAQYLSRUSA-N 1 1 413.606 2.871 50 0 HFAAMO O=C(NCCC1(O)CCCC1)[C@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000091663831 559072832 /nfs/dbraw/zinc/07/28/32/559072832.db2.gz QNEVVBBZHWFYQX-NRFANRHFSA-N 1 1 414.594 2.569 50 0 HFAAMO COCC1CCN(C(=O)[C@@H]2CCC[N@H+](C3CCN(Cc4ccncc4)CC3)C2)CC1 ZINC000091872581 559074433 /nfs/dbraw/zinc/07/44/33/559074433.db2.gz HGEIOOHRWUTGNF-JOCHJYFZSA-N 1 1 414.594 2.643 50 0 HFAAMO CCCOc1ccc(N2C(=O)C[C@@H](N3CC[NH+](Cc4ccccc4)CC3)C2=O)cc1 ZINC000100043933 559129171 /nfs/dbraw/zinc/12/91/71/559129171.db2.gz KSRADWTYAZTVCQ-JOCHJYFZSA-N 1 1 407.514 2.925 50 0 HFAAMO COCCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)COc1ccc2c(c1)OCO2 ZINC000409414357 559249881 /nfs/dbraw/zinc/24/98/81/559249881.db2.gz KWYYKALNXIXNJL-AZUAARDMSA-N 1 1 418.534 2.924 50 0 biogenic HFAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)Cc1n[nH]c(=O)c2ccccc12 ZINC000409414715 559250215 /nfs/dbraw/zinc/25/02/15/559250215.db2.gz VFTBHNFULQZKLJ-LAUBAEHRSA-N 1 1 412.534 2.617 50 0 biogenic HFAAMO CC[C@H](c1nnc(SCC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)o1)[NH+](C)C ZINC000005262121 560552918 /nfs/dbraw/zinc/55/29/18/560552918.db2.gz UCVMWODIQLIZLY-NSOUWEPUSA-N 1 1 421.567 2.969 50 0 HFAAMO 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HFSYTLKIKCDFFP-SMOZNVCYSA-N 1 1 419.456 2.874 50 0 HFAAMO Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@H+]4[C@]4(C(=O)Nc5ccc(F)cc54)[C@H]3C2=O)cc1C ZINC000245226073 569055224 /nfs/dbraw/zinc/05/52/24/569055224.db2.gz HFSYTLKIKCDFFP-SMOZNVCYSA-N 1 1 419.456 2.874 50 0 HFAAMO CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000245242263 569055319 /nfs/dbraw/zinc/05/53/19/569055319.db2.gz SSLMCJSQHOSGLP-AIFLQVKLSA-N 1 1 415.493 2.989 50 0 HFAAMO CCS(=O)(=O)c1ncc(CN2CC[N@H+]3CCC[C@H]3C2)n1CCCc1ccccc1 ZINC000252448909 569057881 /nfs/dbraw/zinc/05/78/81/569057881.db2.gz UMTYKXHPMFYJPV-FQEVSTJZSA-N 1 1 416.591 2.590 50 0 HFAAMO C[N@H+](CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)[C@@H]1CCc2ccccc21 ZINC000026915690 569060175 /nfs/dbraw/zinc/06/01/75/569060175.db2.gz DDXKRGOMRMMIIJ-YKSBVNFPSA-N 1 1 420.513 2.580 50 0 HFAAMO C[N@@H+](CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)[C@@H]1CCc2ccccc21 ZINC000026915690 569060176 /nfs/dbraw/zinc/06/01/76/569060176.db2.gz DDXKRGOMRMMIIJ-YKSBVNFPSA-N 1 1 420.513 2.580 50 0 HFAAMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)O1 ZINC000089496982 569061196 /nfs/dbraw/zinc/06/11/96/569061196.db2.gz QFWMOFUHPGYHGQ-RLLQIKCJSA-N 1 1 417.550 2.792 50 0 HFAAMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)O1 ZINC000089496982 569061197 /nfs/dbraw/zinc/06/11/97/569061197.db2.gz QFWMOFUHPGYHGQ-RLLQIKCJSA-N 1 1 417.550 2.792 50 0 HFAAMO COc1ccc([C@@H](CNS(=O)(=O)c2ccc3c(c2)OCCO3)[NH+]2CCCC2)cc1 ZINC000006558480 569065626 /nfs/dbraw/zinc/06/56/26/569065626.db2.gz LAWQEAKRKWPCDN-LJQANCHMSA-N 1 1 418.515 2.582 50 0 HFAAMO COc1ccc([C@H](CNS(=O)(=O)c2ccc3c(c2)OCCO3)[NH+]2CCCC2)cc1 ZINC000006558483 569065653 /nfs/dbraw/zinc/06/56/53/569065653.db2.gz LAWQEAKRKWPCDN-IBGZPJMESA-N 1 1 418.515 2.582 50 0 HFAAMO CCOC(=O)C1=C(C[NH+]2CCCCC2)N(C)C(=O)N[C@@H]1c1cc(OC)ccc1OC ZINC000035991178 569074582 /nfs/dbraw/zinc/07/45/82/569074582.db2.gz WPBXCKQAGLUAQM-HXUWFJFHSA-N 1 1 417.506 2.703 50 0 HFAAMO CCCC(=O)OC[C@@H](O)C[N@@H+](CCC)Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000036158678 569102379 /nfs/dbraw/zinc/10/23/79/569102379.db2.gz DGJGDDSKMGEGOQ-AWEZNQCLSA-N 1 1 421.563 2.780 50 0 HFAAMO CCCC(=O)OC[C@@H](O)C[N@H+](CCC)Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000036158678 569102381 /nfs/dbraw/zinc/10/23/81/569102381.db2.gz DGJGDDSKMGEGOQ-AWEZNQCLSA-N 1 1 421.563 2.780 50 0 HFAAMO CCn1c2c(C(=O)NCCC(C)C)cnn2c(=O)c2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000064835933 569104549 /nfs/dbraw/zinc/10/45/49/569104549.db2.gz HMQWVJBCNWHBJB-UHFFFAOYSA-N 1 1 421.545 2.850 50 0 HFAAMO C[C@H](C(=O)NCC[N@@H+](C)Cc1ccccc1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064839592 569105238 /nfs/dbraw/zinc/10/52/38/569105238.db2.gz VGHSNBSYLTUHAB-QGZVFWFLSA-N 1 1 417.513 2.697 50 0 HFAAMO Cc1ccc(-c2cnc(N3CCC[C@H](C(=O)NCCC[NH+]4CCOCC4)C3)nc2)cc1 ZINC000065023420 569154953 /nfs/dbraw/zinc/15/49/53/569154953.db2.gz XFXARDMBGKHUHU-NRFANRHFSA-N 1 1 423.561 2.507 50 0 HFAAMO CC[N@@H+](CCCNC(=O)Cn1ncc2c3ccccc3[nH]c2c1=O)Cc1ccccc1 ZINC000006937229 569185283 /nfs/dbraw/zinc/18/52/83/569185283.db2.gz YBCBTKDCLXSOCH-UHFFFAOYSA-N 1 1 417.513 2.906 50 0 HFAAMO CC[NH+]1CCN(C(=O)[C@H]2CCCN(c3ncccc3-c3noc(C4CCC4)n3)C2)CC1 ZINC000065227854 569199158 /nfs/dbraw/zinc/19/91/58/569199158.db2.gz PLCQZMGIQQTSOO-SFHVURJKSA-N 1 1 424.549 2.780 50 0 HFAAMO O=c1c2cc(-c3ccccc3)nn2ccn1Cc1noc(C[NH+]2CCCCCC2)n1 ZINC000065235946 569202455 /nfs/dbraw/zinc/20/24/55/569202455.db2.gz CCLVBDWZUBTZCX-UHFFFAOYSA-N 1 1 404.474 2.970 50 0 HFAAMO C[C@H]1CCCC[N@@H+]1Cc1nc(Cn2ccn3nc(-c4ccccc4)cc3c2=O)no1 ZINC000065235927 569202593 /nfs/dbraw/zinc/20/25/93/569202593.db2.gz MVWSQIJDXMNQCD-INIZCTEOSA-N 1 1 404.474 2.969 50 0 HFAAMO C[C@H]1CCCC[N@H+]1Cc1nc(Cn2ccn3nc(-c4ccccc4)cc3c2=O)no1 ZINC000065235927 569202594 /nfs/dbraw/zinc/20/25/94/569202594.db2.gz MVWSQIJDXMNQCD-INIZCTEOSA-N 1 1 404.474 2.969 50 0 HFAAMO COc1ccc(-c2noc(C[N@@H+]3CCC[C@H]3C[C@@H](O)c3cnn(C)c3)n2)cc1OC ZINC000170591264 569240597 /nfs/dbraw/zinc/24/05/97/569240597.db2.gz ROWKYNUBEUMJSZ-DLBZAZTESA-N 1 1 413.478 2.575 50 0 HFAAMO COc1ccc(-c2noc(C[N@H+]3CCC[C@H]3C[C@@H](O)c3cnn(C)c3)n2)cc1OC ZINC000170591264 569240598 /nfs/dbraw/zinc/24/05/98/569240598.db2.gz ROWKYNUBEUMJSZ-DLBZAZTESA-N 1 1 413.478 2.575 50 0 HFAAMO Cc1cccc(NC(=O)N2CCC(C(=O)N3CC[N@@H+](CC(C)(C)O)[C@@H](C)C3)CC2)c1 ZINC000170602677 569243746 /nfs/dbraw/zinc/24/37/46/569243746.db2.gz DVXDRHZJOJMVSH-SFHVURJKSA-N 1 1 416.566 2.543 50 0 HFAAMO CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]1[C@@H]1CCC[N@H+]12 ZINC000249696525 569255357 /nfs/dbraw/zinc/25/53/57/569255357.db2.gz SSKZODUQLBCJAM-UKDJSQQHSA-N 1 1 415.493 2.528 50 0 HFAAMO COc1ccccc1[C@@H](C)[NH2+][C@H](C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000089909812 569268275 /nfs/dbraw/zinc/26/82/75/569268275.db2.gz XIIWRGFDHZKTKR-VXGBXAGGSA-N 1 1 409.408 2.907 50 0 HFAAMO COc1ccccc1[C@@H](C)[NH2+][C@@H](C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000089909808 569268335 /nfs/dbraw/zinc/26/83/35/569268335.db2.gz XIIWRGFDHZKTKR-NEPJUHHUSA-N 1 1 409.408 2.907 50 0 HFAAMO O=C(NCCC[N@@H+]1CCO[C@H](c2ccccc2)C1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000017178511 569276348 /nfs/dbraw/zinc/27/63/48/569276348.db2.gz YOBHZAMXNFGTJT-IBGZPJMESA-N 1 1 419.884 2.997 50 0 HFAAMO O=C(NCCC[N@H+]1CCO[C@H](c2ccccc2)C1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000017178511 569276350 /nfs/dbraw/zinc/27/63/50/569276350.db2.gz YOBHZAMXNFGTJT-IBGZPJMESA-N 1 1 419.884 2.997 50 0 HFAAMO COc1ccc(S(=O)(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CCN(C)CC2)cc1 ZINC000170690741 569298580 /nfs/dbraw/zinc/29/85/80/569298580.db2.gz LWLUWIFGSNECBT-SFTDATJTSA-N 1 1 409.596 2.653 50 0 HFAAMO COc1ccc(S(=O)(=O)N(C)[C@H]2CCCC[C@@H]2N(C)C2CC[NH+](C)CC2)cc1 ZINC000170690741 569298582 /nfs/dbraw/zinc/29/85/82/569298582.db2.gz LWLUWIFGSNECBT-SFTDATJTSA-N 1 1 409.596 2.653 50 0 HFAAMO C[NH+]1CCN(C(=O)c2ccccc2N2CCC(NC(=O)c3cccc(F)c3)CC2)CC1 ZINC000037525251 569304034 /nfs/dbraw/zinc/30/40/34/569304034.db2.gz SWYOEXHHORNXDI-UHFFFAOYSA-N 1 1 424.520 2.612 50 0 HFAAMO COc1ccc([C@H]2[C@H](C(=O)N(C)C[C@@H]3CCC[N@H+]4CCCC[C@H]34)CC(=O)N2C)cc1 ZINC000253396324 569365333 /nfs/dbraw/zinc/36/53/33/569365333.db2.gz BABDFVCADQDSRG-NQAVQENRSA-N 1 1 413.562 2.938 50 0 biogenic HFAAMO O=C([C@H]1CCC[N@@H+](Cc2csc(COc3ccc(F)cc3)n2)C1)N1CCOCC1 ZINC000054994498 569374713 /nfs/dbraw/zinc/37/47/13/569374713.db2.gz MLCMEYBWZIBMLK-INIZCTEOSA-N 1 1 419.522 2.932 50 0 HFAAMO O=C([C@H]1CCC[N@H+](Cc2csc(COc3ccc(F)cc3)n2)C1)N1CCOCC1 ZINC000054994498 569374714 /nfs/dbraw/zinc/37/47/14/569374714.db2.gz MLCMEYBWZIBMLK-INIZCTEOSA-N 1 1 419.522 2.932 50 0 HFAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)CC[C@@H]1NC(=O)N(c2cccc3ccccc32)C1=O ZINC000252498838 569387655 /nfs/dbraw/zinc/38/76/55/569387655.db2.gz RNEWONJCLMSXPD-MJGOQNOKSA-N 1 1 408.502 2.850 50 0 HFAAMO CCN(CC)C(=O)c1ccc(S(=O)(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000079060991 569426264 /nfs/dbraw/zinc/42/62/64/569426264.db2.gz SSAVQQRKRQELKK-KSZLIROESA-N 1 1 409.596 2.813 50 0 HFAAMO Cc1c([C@@H](C)[NH2+]Cc2cnn([C@H]3CCS(=O)(=O)C3)c2)cnn1-c1ccc(F)cc1 ZINC000079100176 569427491 /nfs/dbraw/zinc/42/74/91/569427491.db2.gz DEODPEVSOXHLTF-KUHUBIRLSA-N 1 1 417.510 2.727 50 0 HFAAMO CC(=O)c1ccc(NC(=O)[C@H](C)NC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000079501486 569432914 /nfs/dbraw/zinc/43/29/14/569432914.db2.gz UTOQGHNYMFKOAC-KRWDZBQOSA-N 1 1 408.502 2.744 50 0 HFAAMO CC[NH+]1CCN(C(=O)CCn2ccn3nc(-c4ccc(C(C)C)cc4)cc3c2=O)CC1 ZINC000067262336 571061724 /nfs/dbraw/zinc/06/17/24/571061724.db2.gz RRRWHOWZUWUWAY-UHFFFAOYSA-N 1 1 421.545 2.841 50 0 HFAAMO CCC[N@H+]1CCc2nc(SCC(=O)Nc3ccc(OC)c(F)c3)[nH]c(=O)c2C1 ZINC000067291902 571068421 /nfs/dbraw/zinc/06/84/21/571068421.db2.gz BDVYMNDNVUTVPC-UHFFFAOYSA-N 1 1 406.483 2.829 50 0 HFAAMO Cc1nc(N2CC[NH+](C)CC2)ncc1-c1cc(=O)[nH]c(Nc2ccc(Cl)cc2)n1 ZINC000039383759 571131778 /nfs/dbraw/zinc/13/17/78/571131778.db2.gz TWBHVPZILCXZBI-UHFFFAOYSA-N 1 1 411.897 2.684 50 0 HFAAMO C[N@@H+]1CCN(C(=O)C[C@H](NC(N)=O)c2ccc(Cl)cc2)[C@H](c2ccccc2)C1 ZINC000040012996 571138318 /nfs/dbraw/zinc/13/83/18/571138318.db2.gz HCKYPAXWOZPWRV-OALUTQOASA-N 1 1 400.910 2.955 50 0 HFAAMO C[N@H+]1CCN(C(=O)C[C@H](NC(N)=O)c2ccc(Cl)cc2)[C@H](c2ccccc2)C1 ZINC000040012996 571138320 /nfs/dbraw/zinc/13/83/20/571138320.db2.gz HCKYPAXWOZPWRV-OALUTQOASA-N 1 1 400.910 2.955 50 0 HFAAMO COc1ccc(C[N@H+]2CCCN(c3cc(-c4cccnc4)nc4ncnn43)CC2)cc1 ZINC000040151426 571199395 /nfs/dbraw/zinc/19/93/95/571199395.db2.gz ZVMSVIMQFKZIRZ-UHFFFAOYSA-N 1 1 415.501 2.907 50 0 HFAAMO COc1ccc(C[N@H+]2CCCN(C(=O)COc3ccc4c(c3)CCC(=O)N4)CC2)cc1 ZINC000070013879 571254355 /nfs/dbraw/zinc/25/43/55/571254355.db2.gz YTPHKJFDJVHDJN-UHFFFAOYSA-N 1 1 423.513 2.693 50 0 HFAAMO O=C([C@@H]1CCS(=O)(=O)C1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000071841834 571302952 /nfs/dbraw/zinc/30/29/52/571302952.db2.gz AVMXSSMZLDZDMH-OAHLLOKOSA-N 1 1 419.374 2.853 50 0 HFAAMO CNC(=O)Cc1noc(C[N@H+](Cc2ccc(OC)c(OC)c2)C2CCCCC2)n1 ZINC000539889137 571317572 /nfs/dbraw/zinc/31/75/72/571317572.db2.gz VSPQDIJRLCWJTK-UHFFFAOYSA-N 1 1 402.495 2.710 50 0 HFAAMO CNC(=O)Cc1noc(C[N@@H+](Cc2ccc(OC)c(OC)c2)C2CCCCC2)n1 ZINC000539889137 571317573 /nfs/dbraw/zinc/31/75/73/571317573.db2.gz VSPQDIJRLCWJTK-UHFFFAOYSA-N 1 1 402.495 2.710 50 0 HFAAMO CC[NH+]1CCN(C(=O)c2ccc(CN3c4cc(C(C)=O)ccc4OCC3=O)cc2)CC1 ZINC000004374323 132276080 /nfs/dbraw/zinc/27/60/80/132276080.db2.gz YICJUHPJVDJZLM-UHFFFAOYSA-N 1 1 421.497 2.593 50 0 HFAAMO CCCC[N@@H+](CC)CCNC(=O)CN1c2ncccc2O[C@@H](c2ccccc2)C1=O ZINC000006796413 132316798 /nfs/dbraw/zinc/31/67/98/132316798.db2.gz NRCFSUZLGYYPQA-NRFANRHFSA-N 1 1 410.518 2.787 50 0 HFAAMO CC1(C)CC(NC(=O)C2CCN(c3nc(Cl)nc4[nH]cnc43)CC2)CC(C)(C)[NH2+]1 ZINC000009421665 132339644 /nfs/dbraw/zinc/33/96/44/132339644.db2.gz LVRMGIWHTDTVGM-UHFFFAOYSA-N 1 1 419.961 2.648 50 0 HFAAMO CC(C)C[C@@H](CNC(=O)Cc1cc(Cl)c2c(c1)OCCCO2)[NH+]1CCOCC1 ZINC000040047499 519208998 /nfs/dbraw/zinc/20/89/98/519208998.db2.gz LQCOMWGBNARJSB-KRWDZBQOSA-N 1 1 410.942 2.907 50 0 HFAAMO CC[NH+]1CCN(C(=O)c2ccccc2NC(=O)Nc2ccc(C(=O)OC)cc2)CC1 ZINC000031812133 521671342 /nfs/dbraw/zinc/67/13/42/521671342.db2.gz ADOBXQMEOJEZIC-UHFFFAOYSA-N 1 1 410.474 2.895 50 0 HFAAMO COc1ccc(-c2n[nH]cc2C[N@@H+](Cc2ccccn2)C[C@@H]2CCC(=O)N2)c(F)c1 ZINC000020599508 523182089 /nfs/dbraw/zinc/18/20/89/523182089.db2.gz VXCSWMPMRBAYOJ-KRWDZBQOSA-N 1 1 409.465 2.900 50 0 HFAAMO COc1ccc(-c2n[nH]cc2C[N@H+](Cc2ccccn2)C[C@@H]2CCC(=O)N2)c(F)c1 ZINC000020599508 523182098 /nfs/dbraw/zinc/18/20/98/523182098.db2.gz VXCSWMPMRBAYOJ-KRWDZBQOSA-N 1 1 409.465 2.900 50 0 HFAAMO Cc1cc(N2CC[NH+](CCO)CC2)n2nc(C(F)(F)F)c(-c3ccccc3)c2n1 ZINC000020547510 525079409 /nfs/dbraw/zinc/07/94/09/525079409.db2.gz RJODNVIWCVBCGL-UHFFFAOYSA-N 1 1 405.424 2.838 50 0 HFAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)Cn1ncc2c3cc(C)ccc3[nH]c2c1=O ZINC000006997739 557732913 /nfs/dbraw/zinc/73/29/13/557732913.db2.gz WVDXBKHMJJFILU-QGZVFWFLSA-N 1 1 409.534 2.957 50 0 HFAAMO Cc1c(Br)c(C(F)(F)F)nn1[C@H](C)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000002771079 557760424 /nfs/dbraw/zinc/76/04/24/557760424.db2.gz BOYGSTOYJMINRC-MNOVXSKESA-N 1 1 409.250 2.840 50 0 HFAAMO Cc1cc(C)c(NC(=O)CNC(=O)CN2CC[NH+](Cc3ccccc3C)CC2)c(C)c1 ZINC000022914495 558258429 /nfs/dbraw/zinc/25/84/29/558258429.db2.gz QZURKIOOMFTDLM-UHFFFAOYSA-N 1 1 422.573 2.793 50 0 HFAAMO COCC(=O)N[C@@H](CC(C)C)c1nnc2n1CC[N@H+](Cc1cc(C)cc(C)c1)CC2 ZINC000019744691 558265182 /nfs/dbraw/zinc/26/51/82/558265182.db2.gz VYCKYCQVVNRZER-FQEVSTJZSA-N 1 1 413.566 2.803 50 0 HFAAMO COC(=O)C1CCN(C[C@H](O)COc2cccc(C[NH2+]C3CCCCC3)c2)CC1 ZINC000011662897 558266485 /nfs/dbraw/zinc/26/64/85/558266485.db2.gz XKTCQFUAMQDKMH-NRFANRHFSA-N 1 1 404.551 2.734 50 0 HFAAMO COc1ccc2c(c1OC)[C@H]([C@H]1c3c(cc4c(c3OC)OCO4)CC[N@H+]1C)OC2=O ZINC000019801393 558285646 /nfs/dbraw/zinc/28/56/46/558285646.db2.gz IBCXQWACMNKPCL-YLJYHZDGSA-N 1 1 413.426 2.882 50 0 HFAAMO COc1ccc2c(c1OC)[C@H]([C@H]1c3c(cc4c(c3OC)OCO4)CC[N@@H+]1C)OC2=O ZINC000019801393 558285649 /nfs/dbraw/zinc/28/56/49/558285649.db2.gz IBCXQWACMNKPCL-YLJYHZDGSA-N 1 1 413.426 2.882 50 0 HFAAMO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C)CC2)c2cc(C)ccc2C)cc1 ZINC000019810261 558286694 /nfs/dbraw/zinc/28/66/94/558286694.db2.gz RRWJQGWYXYBZOQ-UHFFFAOYSA-N 1 1 415.559 2.581 50 0 HFAAMO Cc1ccc([C@@H](C)CC[N@@H+]2CCc3nnc(CCNC(=O)c4cccnc4)n3CC2)o1 ZINC000011869478 558290163 /nfs/dbraw/zinc/29/01/63/558290163.db2.gz HIZKWWSOKIZBNV-KRWDZBQOSA-N 1 1 422.533 2.599 50 0 HFAAMO Cc1ccc([C@H](C)CC[N@@H+]2CCc3nnc(CCNC(=O)c4cccnc4)n3CC2)o1 ZINC000011869482 558290228 /nfs/dbraw/zinc/29/02/28/558290228.db2.gz HIZKWWSOKIZBNV-QGZVFWFLSA-N 1 1 422.533 2.599 50 0 HFAAMO COc1ccccc1NC(=O)Nc1ccccc1C(=O)NCCC[NH+]1CCOCC1 ZINC000019835078 558292536 /nfs/dbraw/zinc/29/25/36/558292536.db2.gz RUOXZWZJXAWYGJ-UHFFFAOYSA-N 1 1 412.490 2.791 50 0 HFAAMO CCOC(=O)c1ccc(N2C(=O)C[C@H]([NH+]3CCC(c4ccncc4)CC3)C2=O)cc1 ZINC000019890233 558302969 /nfs/dbraw/zinc/30/29/69/558302969.db2.gz CSRSRGXHZNRMCC-FQEVSTJZSA-N 1 1 407.470 2.770 50 0 HFAAMO COc1ccc(C[N@@H+]2C[C@H](Sc3nccc(C)n3)C[C@H]2C(=O)N(C)C)cc1C ZINC000011972761 558305140 /nfs/dbraw/zinc/30/51/40/558305140.db2.gz AOFKIUPIPCAKSU-MSOLQXFVSA-N 1 1 400.548 2.925 50 0 HFAAMO COc1ccc(C[N@H+]2C[C@H](Sc3nccc(C)n3)C[C@H]2C(=O)N(C)C)cc1C ZINC000011972761 558305142 /nfs/dbraw/zinc/30/51/42/558305142.db2.gz AOFKIUPIPCAKSU-MSOLQXFVSA-N 1 1 400.548 2.925 50 0 HFAAMO O=C(COc1ccc(Br)cc1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000019902176 558305412 /nfs/dbraw/zinc/30/54/12/558305412.db2.gz CWLDSLKBKIRTBD-UHFFFAOYSA-N 1 1 411.340 2.979 50 0 HFAAMO CCOc1ccccc1Nc1nc(N)nc(CN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000019944502 558314562 /nfs/dbraw/zinc/31/45/62/558314562.db2.gz XFUZRGWIJUURHL-UHFFFAOYSA-N 1 1 419.533 2.914 50 0 HFAAMO COc1cccc(OC)c1OC[C@@H](O)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000020109794 558335039 /nfs/dbraw/zinc/33/50/39/558335039.db2.gz UTSVKARJDSUYDS-SFHVURJKSA-N 1 1 406.910 2.919 50 0 HFAAMO C[C@@H](NC(=O)C1CC1)c1nnc2n1CC[N@@H+](Cc1cccc(C(F)(F)F)c1)CC2 ZINC000020202034 558346135 /nfs/dbraw/zinc/34/61/35/558346135.db2.gz WHXRCAVIDMNPBX-CYBMUJFWSA-N 1 1 407.440 2.942 50 0 HFAAMO C[C@@H](NC(=O)C1CC1)c1nnc2n1CC[N@H+](Cc1cccc(C(F)(F)F)c1)CC2 ZINC000020202034 558346138 /nfs/dbraw/zinc/34/61/38/558346138.db2.gz WHXRCAVIDMNPBX-CYBMUJFWSA-N 1 1 407.440 2.942 50 0 HFAAMO Cc1ccc2nc(-c3ccc(NC(=O)CN4CC[NH+](CCO)CC4)cc3)sc2c1 ZINC000020330272 558355941 /nfs/dbraw/zinc/35/59/41/558355941.db2.gz FARFXPPDWJCCDO-UHFFFAOYSA-N 1 1 410.543 2.820 50 0 HFAAMO Cc1c2ccc(OCC(=O)N3CC[NH+](C)CC3)cc2oc(=O)c1Cc1ccccc1 ZINC000020412132 558360956 /nfs/dbraw/zinc/36/09/56/558360956.db2.gz WZTHOTWQBPBNHF-UHFFFAOYSA-N 1 1 406.482 2.845 50 0 HFAAMO CN(CCc1ccccc1)C(=O)c1nc2sccn2c1C[NH2+]Cc1cnn(C)c1 ZINC000012316461 558379844 /nfs/dbraw/zinc/37/98/44/558379844.db2.gz ARNJRSRQFKMVHS-UHFFFAOYSA-N 1 1 408.531 2.734 50 0 HFAAMO Cc1cc(=O)oc2cc(OC[C@@H](O)C[NH+]3CCN(Cc4ccccc4)CC3)ccc12 ZINC000020718062 558402040 /nfs/dbraw/zinc/40/20/40/558402040.db2.gz KXRNPWQFQBVVOA-FQEVSTJZSA-N 1 1 408.498 2.659 50 0 HFAAMO Cc1ccccc1C[N@@H+]1CCc2nnc([C@H](C)NC(=O)COc3ccccc3)n2CC1 ZINC000020786122 558413909 /nfs/dbraw/zinc/41/39/09/558413909.db2.gz YIMIOBFTYNVDFQ-IBGZPJMESA-N 1 1 419.529 2.901 50 0 HFAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc(-c2ccsc2)nc1N1CCCC1 ZINC000020821011 558416904 /nfs/dbraw/zinc/41/69/04/558416904.db2.gz ALYXRLVWGARBDK-UHFFFAOYSA-N 1 1 400.548 2.862 50 0 HFAAMO Cc1nn(CC(=O)N[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)c(=O)c2ccccc12 ZINC000012457783 558417960 /nfs/dbraw/zinc/41/79/60/558417960.db2.gz NMVLKTRSZUYCFN-HXUWFJFHSA-N 1 1 404.514 2.528 50 0 HFAAMO COc1ccccc1CC[N@H+]1CCC[C@H](CN(C)C(=O)CSc2ncccn2)C1 ZINC000012459713 558418853 /nfs/dbraw/zinc/41/88/53/558418853.db2.gz SQVQCNIOUJAYRN-GOSISDBHSA-N 1 1 414.575 2.990 50 0 HFAAMO O=C(CCn1cnc2ccccc2c1=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000012701584 558447667 /nfs/dbraw/zinc/44/76/67/558447667.db2.gz SSBYJEUZFGLOEZ-GOSISDBHSA-N 1 1 408.477 2.707 50 0 HFAAMO O=C(CCn1cnc2ccccc2c1=O)N[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000012701584 558447669 /nfs/dbraw/zinc/44/76/69/558447669.db2.gz SSBYJEUZFGLOEZ-GOSISDBHSA-N 1 1 408.477 2.707 50 0 HFAAMO CCn1cc(C[N@H+]2CCC[C@@H](CNC(=O)c3cc(OC)cc(OC)c3)C2)c(C)n1 ZINC000012708560 558451119 /nfs/dbraw/zinc/45/11/19/558451119.db2.gz JDNIMUNDTOMDPB-KRWDZBQOSA-N 1 1 400.523 2.871 50 0 HFAAMO COc1ccccc1[C@H](CNC(=O)Cn1cnc2sc(C)c(C)c2c1=O)[NH+](C)C ZINC000022189839 558465684 /nfs/dbraw/zinc/46/56/84/558465684.db2.gz OQRCURQRLWRKBB-INIZCTEOSA-N 1 1 414.531 2.503 50 0 HFAAMO O=C(CN1CC[NH+](Cc2c(-c3ccccc3)nc3ccccn32)CC1)N1CCCC1 ZINC000022926855 558523436 /nfs/dbraw/zinc/52/34/36/558523436.db2.gz RMKHELWKQJLHME-UHFFFAOYSA-N 1 1 403.530 2.741 50 0 HFAAMO COc1cc(=O)n2c(c1C(=O)N1CCCC1)CC[N@H+](Cc1cc(C)cc(C)c1)CC2 ZINC000023214709 558542872 /nfs/dbraw/zinc/54/28/72/558542872.db2.gz CGDQHBCRVBQPJF-UHFFFAOYSA-N 1 1 409.530 2.768 50 0 HFAAMO O=C1NC2(CCCCCC2)C(=O)N1CN1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000023257177 558546387 /nfs/dbraw/zinc/54/63/87/558546387.db2.gz MIPFJCXNVVEPLX-UHFFFAOYSA-N 1 1 402.514 2.936 50 0 HFAAMO CCN(C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)CN1CCN(CC)CC1 ZINC000023374618 558553947 /nfs/dbraw/zinc/55/39/47/558553947.db2.gz DRVRPSRYLCFQJZ-QFIPXVFZSA-N 1 1 418.601 2.566 50 0 HFAAMO CCN(C[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1)C(=O)CN1CCN(CC)CC1 ZINC000023374618 558553948 /nfs/dbraw/zinc/55/39/48/558553948.db2.gz DRVRPSRYLCFQJZ-QFIPXVFZSA-N 1 1 418.601 2.566 50 0 HFAAMO CC[NH+]1CCN(C(=O)c2ccc(N(Cc3ccc(F)cc3)S(C)(=O)=O)cc2)CC1 ZINC000013681730 558566830 /nfs/dbraw/zinc/56/68/30/558566830.db2.gz AENYEPDAJZEGMN-UHFFFAOYSA-N 1 1 419.522 2.570 50 0 HFAAMO CC(C)C[C@@H](CNC(=O)c1ccc(Cl)cc1N1CCCC1=O)[NH+]1CCOCC1 ZINC000024765872 558611461 /nfs/dbraw/zinc/61/14/61/558611461.db2.gz QEILJIODAGFSDE-KRWDZBQOSA-N 1 1 407.942 2.944 50 0 HFAAMO COc1ccc([C@@H]2[C@@H](C(=O)N3CC[NH+](Cc4ccccc4)CC3)CCC(=O)N2C)cc1 ZINC000072241976 558640680 /nfs/dbraw/zinc/64/06/80/558640680.db2.gz OBYNYYNFIQGFSX-LADGPHEKSA-N 1 1 421.541 2.949 50 0 HFAAMO CC(C)C[N@@H+]1C[C@H](C(=O)Nc2ccc(F)cc2)C[C@H](C(=O)NC[C@@H]2CCCO2)C1 ZINC000014532738 558656912 /nfs/dbraw/zinc/65/69/12/558656912.db2.gz RHFAKRAIGLMDOD-QKLQHJQFSA-N 1 1 405.514 2.654 50 0 HFAAMO CCC(CC)[C@H](CNC(=O)N1CCN(c2ccccc2OC)CC1)[NH+]1CCOCC1 ZINC000026307648 558658795 /nfs/dbraw/zinc/65/87/95/558658795.db2.gz WVSHIZYQTQMUJG-NRFANRHFSA-N 1 1 418.582 2.664 50 0 HFAAMO CCOc1ccccc1N1CCN(C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)CC1 ZINC000026304397 558658877 /nfs/dbraw/zinc/65/88/77/558658877.db2.gz WNNSKWQOTYEPSU-FQEVSTJZSA-N 1 1 418.582 2.664 50 0 HFAAMO Cc1ccc(C[N@@H+]2CCN3C(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H]3C2)c(C)c1 ZINC000014740728 558666682 /nfs/dbraw/zinc/66/66/82/558666682.db2.gz LKWQBUPSPKGWEX-XZOQPEGZSA-N 1 1 416.525 2.539 50 0 HFAAMO Cc1ccc(C[N@H+]2CCN3C(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H]3C2)c(C)c1 ZINC000014740728 558666685 /nfs/dbraw/zinc/66/66/85/558666685.db2.gz LKWQBUPSPKGWEX-XZOQPEGZSA-N 1 1 416.525 2.539 50 0 HFAAMO Cc1ccc(C[N@@H+]2CCN3C(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H]3C2)cc1C ZINC000014749821 558670385 /nfs/dbraw/zinc/67/03/85/558670385.db2.gz AQXFQRVDPWREIG-XZOQPEGZSA-N 1 1 416.525 2.539 50 0 HFAAMO Cc1ccc(C[N@H+]2CCN3C(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H]3C2)cc1C ZINC000014749821 558670387 /nfs/dbraw/zinc/67/03/87/558670387.db2.gz AQXFQRVDPWREIG-XZOQPEGZSA-N 1 1 416.525 2.539 50 0 HFAAMO COc1cccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)C(=O)c4ccco4)C3)C2)c1OC ZINC000014959871 558683684 /nfs/dbraw/zinc/68/36/84/558683684.db2.gz QFUPBUDVEXEQNM-HSZRJFAPSA-N 1 1 412.486 2.994 50 0 HFAAMO COc1cccc(C[N@H+]2CCC[C@@]3(CCN(C(=O)C(=O)c4ccco4)C3)C2)c1OC ZINC000014959871 558683685 /nfs/dbraw/zinc/68/36/85/558683685.db2.gz QFUPBUDVEXEQNM-HSZRJFAPSA-N 1 1 412.486 2.994 50 0 HFAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)c2ccc(N(C)C)cc2)CC1 ZINC000014979022 558690358 /nfs/dbraw/zinc/69/03/58/558690358.db2.gz IDPGZEHKSXHLNV-JOCHJYFZSA-N 1 1 414.594 2.986 50 0 HFAAMO O=C(Cc1ccccc1)NCc1nnc2n1CC[N@H+](C/C=C/c1ccccc1)CC2 ZINC000014993715 558695595 /nfs/dbraw/zinc/69/55/95/558695595.db2.gz XSBCSBGGFZDKJQ-KPKJPENVSA-N 1 1 401.514 2.709 50 0 HFAAMO C[NH+]1CCN(C(=O)c2cc(-c3cc4ccccc4s3)cc(-n3cnnn3)c2)CC1 ZINC000015002381 558698325 /nfs/dbraw/zinc/69/83/25/558698325.db2.gz WYWMLQBZRQDRPY-UHFFFAOYSA-N 1 1 404.499 2.932 50 0 HFAAMO COc1cc(OC)nc(NC(=O)C[N@@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)n1 ZINC000011038233 558705220 /nfs/dbraw/zinc/70/52/20/558705220.db2.gz XTTHKMJGGFPION-UHFFFAOYSA-N 1 1 414.462 2.606 50 0 HFAAMO O=C(CC[C@H]1Cc2ccccc2NC1=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000029882892 558723318 /nfs/dbraw/zinc/72/33/18/558723318.db2.gz RRXWFGAZVNGEKL-NRFANRHFSA-N 1 1 407.514 2.726 50 0 HFAAMO COc1ccccc1NC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2c(C)nn(C)c2C)CC1 ZINC000029907015 558723782 /nfs/dbraw/zinc/72/37/82/558723782.db2.gz YOYYVIFRODXECA-MRXNPFEDSA-N 1 1 413.522 2.723 50 0 HFAAMO COc1ccc(NC(=O)C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)cc1OC ZINC000015517457 558742149 /nfs/dbraw/zinc/74/21/49/558742149.db2.gz NYSGJEBPTDPYNI-UHFFFAOYSA-N 1 1 403.523 2.757 50 0 HFAAMO CCCN1CC[NH+]([C@H](C)CCCN(C(=O)c2cnn3ccc(C)nc23)C2CC2)CC1 ZINC000072305490 558758054 /nfs/dbraw/zinc/75/80/54/558758054.db2.gz XYFRGFZPTWRKAG-LJQANCHMSA-N 1 1 412.582 2.839 50 0 HFAAMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016000121 558765972 /nfs/dbraw/zinc/76/59/72/558765972.db2.gz VGALMWHJMZRZSC-UAKAABGRSA-N 1 1 419.456 2.874 50 0 HFAAMO CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016010040 558766572 /nfs/dbraw/zinc/76/65/72/558766572.db2.gz JBUWXQHKOVKHEF-CMCWBKRRSA-N 1 1 419.456 2.819 50 0 HFAAMO Cn1nc(C(=O)NCCC[NH+]2CCN(c3ccccc3F)CC2)cc1C(F)(F)F ZINC000033321039 558766602 /nfs/dbraw/zinc/76/66/02/558766602.db2.gz WUQFMBWNJPKYLG-UHFFFAOYSA-N 1 1 413.419 2.520 50 0 HFAAMO CCc1ccc(N2CN(CCC[NH+]3CCOCC3)Cn3c(=O)c(C)c(C)nc32)cc1 ZINC000038829904 558816412 /nfs/dbraw/zinc/81/64/12/558816412.db2.gz NODNSIZBZFKZQF-UHFFFAOYSA-N 1 1 411.550 2.514 50 0 HFAAMO Cc1ccc(-c2nnn(CC(=O)N3c4ccc(C)cc4[C@@H]4C[N@@H+](C)CC[C@@H]43)n2)cc1 ZINC000004594094 558831899 /nfs/dbraw/zinc/83/18/99/558831899.db2.gz TZMMNMNLKAIQRX-FPOVZHCZSA-N 1 1 402.502 2.791 50 0 HFAAMO Cc1nc(CC(=O)N2CCC[C@@H]([NH+]3CCN(c4ccccc4F)CC3)C2)cs1 ZINC000055107954 558872861 /nfs/dbraw/zinc/87/28/61/558872861.db2.gz KKQZQJZLMYLYJK-GOSISDBHSA-N 1 1 402.539 2.946 50 0 HFAAMO Cc1cc(C(=O)N2CCC[C@H]([NH+]3CCN(c4cccc(Cl)c4)CC3)C2)nn1C ZINC000055211211 558876001 /nfs/dbraw/zinc/87/60/01/558876001.db2.gz PTDFIGQXVKTLBG-IBGZPJMESA-N 1 1 401.942 2.809 50 0 HFAAMO CN1CC[N@@H+](CCCNC(=O)CCCNC(=O)c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000033135568 558888167 /nfs/dbraw/zinc/88/81/67/558888167.db2.gz LZRJOVREYKCMMD-HSZRJFAPSA-N 1 1 422.573 2.692 50 0 HFAAMO C[N@@H+]1CCN(CCCNC(=O)CCCNC(=O)c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000033135568 558888170 /nfs/dbraw/zinc/88/81/70/558888170.db2.gz LZRJOVREYKCMMD-HSZRJFAPSA-N 1 1 422.573 2.692 50 0 HFAAMO C[N@H+]1CCN(CCCNC(=O)CCCNC(=O)c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000033135568 558888172 /nfs/dbraw/zinc/88/81/72/558888172.db2.gz LZRJOVREYKCMMD-HSZRJFAPSA-N 1 1 422.573 2.692 50 0 HFAAMO COc1ccc(CCNC(=O)[C@H](C)[N@H+](C)Cc2ccccc2N2CCOCC2)cc1 ZINC000057996097 558893641 /nfs/dbraw/zinc/89/36/41/558893641.db2.gz JTACFKVYTTTZAS-IBGZPJMESA-N 1 1 411.546 2.711 50 0 HFAAMO COc1ccc(CCNC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2N2CCOCC2)cc1 ZINC000057996097 558893643 /nfs/dbraw/zinc/89/36/43/558893643.db2.gz JTACFKVYTTTZAS-IBGZPJMESA-N 1 1 411.546 2.711 50 0 HFAAMO CCOC(=O)C1=C(C[NH2+]C2(c3ccc(Br)cc3)CC2)NC(=O)N[C@@H]1C ZINC000058157008 558903019 /nfs/dbraw/zinc/90/30/19/558903019.db2.gz UORCLFMVUMIUCB-LLVKDONJSA-N 1 1 408.296 2.546 50 0 HFAAMO CCOC(=O)C1=C(C[NH2+]C2(c3ccc(Br)cc3)CC2)NC(=O)N[C@H]1C ZINC000058157009 558903097 /nfs/dbraw/zinc/90/30/97/558903097.db2.gz UORCLFMVUMIUCB-NSHDSACASA-N 1 1 408.296 2.546 50 0 HFAAMO C[N@H+]1CCCN(c2ccc(NC(=O)NCc3noc(-c4ccco4)n3)cc2F)CC1 ZINC000058344545 558921090 /nfs/dbraw/zinc/92/10/90/558921090.db2.gz XBVCNRVYYVEMHV-UHFFFAOYSA-N 1 1 414.441 2.932 50 0 HFAAMO Cc1ccc(NC(=O)NCCNc2cc(N3CCOCC3)[nH+]c(C)n2)cc1Cl ZINC000067604949 558988711 /nfs/dbraw/zinc/98/87/11/558988711.db2.gz JDADBHWRKKBSAJ-UHFFFAOYSA-N 1 1 404.902 2.817 50 0 HFAAMO COc1ccccc1C(=O)N1CCN(c2cc(-n3cnc(C)c3C)nc(C)[nH+]2)CC1 ZINC000077137474 558999571 /nfs/dbraw/zinc/99/95/71/558999571.db2.gz YVZJWXMWWRSZHQ-UHFFFAOYSA-N 1 1 406.490 2.559 50 0 HFAAMO Cc1cc(CNC(=O)[C@H]2CCC[N@H+](C3CCN(CCc4ccccc4)CC3)C2)[nH]n1 ZINC000082091588 559036900 /nfs/dbraw/zinc/03/69/00/559036900.db2.gz AMIAABFNFJQKSX-NRFANRHFSA-N 1 1 409.578 2.753 50 0 HFAAMO Cc1cc(CNC(=O)[C@H]2CCC[N@@H+](C3CCN(CCc4ccccc4)CC3)C2)n[nH]1 ZINC000082091588 559036905 /nfs/dbraw/zinc/03/69/05/559036905.db2.gz AMIAABFNFJQKSX-NRFANRHFSA-N 1 1 409.578 2.753 50 0 HFAAMO Cc1cc(CNC(=O)[C@H]2CCC[N@H+](C3CCN(CCc4ccccc4)CC3)C2)n[nH]1 ZINC000082091588 559036907 /nfs/dbraw/zinc/03/69/07/559036907.db2.gz AMIAABFNFJQKSX-NRFANRHFSA-N 1 1 409.578 2.753 50 0 HFAAMO COCC(=O)N1CCc2nc[nH]c2C12CC[NH+](CC[C@@H](C)c1ccc(C)o1)CC2 ZINC000095498903 559081905 /nfs/dbraw/zinc/08/19/05/559081905.db2.gz SPRYSVHIFDUCFH-MRXNPFEDSA-N 1 1 400.523 2.827 50 0 HFAAMO Cc1cccc(C[N@H+]2CCC[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)n1 ZINC000095512683 559084272 /nfs/dbraw/zinc/08/42/72/559084272.db2.gz PVEMXEDYAGBFPM-QFIPXVFZSA-N 1 1 408.546 2.901 50 0 HFAAMO Cc1cccc(CN2CCC[C@H]([NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)n1 ZINC000095512683 559084273 /nfs/dbraw/zinc/08/42/73/559084273.db2.gz PVEMXEDYAGBFPM-QFIPXVFZSA-N 1 1 408.546 2.901 50 0 HFAAMO C[C@@H]1C[C@H](C)C[N@@H+](Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CCCc2ccccc2)C1 ZINC000004930569 559209583 /nfs/dbraw/zinc/20/95/83/559209583.db2.gz TWOOJURSWBWXSC-HDICACEKSA-N 1 1 423.561 2.544 50 0 HFAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CCCc2ccccc2)C1 ZINC000004930569 559209584 /nfs/dbraw/zinc/20/95/84/559209584.db2.gz TWOOJURSWBWXSC-HDICACEKSA-N 1 1 423.561 2.544 50 0 HFAAMO C[C@H]1CCC[N@@H+](CCCNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CCC2)C1 ZINC000004971565 559220551 /nfs/dbraw/zinc/22/05/51/559220551.db2.gz QXVMKCCDNUPOGW-KRWDZBQOSA-N 1 1 419.591 2.776 50 0 HFAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)c1cc(C)nc2c1c(C)nn2C ZINC000409414925 559250997 /nfs/dbraw/zinc/25/09/97/559250997.db2.gz ZIZCMPYIWLEDGL-AZUAARDMSA-N 1 1 413.566 2.938 50 0 biogenic HFAAMO COCCCN(C[C@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)c1cnn(C)c1-n1cccc1 ZINC000583647603 560778836 /nfs/dbraw/zinc/77/88/36/560778836.db2.gz RGZYSWNNGTWUCA-CTNGQTDRSA-N 1 1 413.566 2.954 50 0 biogenic HFAAMO CC(C)[C@H](C(=O)N1CCCN(Cc2ccccc2F)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000107135904 560895623 /nfs/dbraw/zinc/89/56/23/560895623.db2.gz ZNLVZJQOPNANHU-XQBPLPMBSA-N 1 1 405.558 2.994 50 0 HFAAMO CC(C)[C@H](C(=O)N1CCCN(Cc2ccccc2F)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000107135904 560895624 /nfs/dbraw/zinc/89/56/24/560895624.db2.gz ZNLVZJQOPNANHU-XQBPLPMBSA-N 1 1 405.558 2.994 50 0 HFAAMO CCCc1nn2c(nc(C[N@H+](C)Cc3cc(OC)c(OC)c(OC)c3)cc2=O)s1 ZINC000046032396 568424589 /nfs/dbraw/zinc/42/45/89/568424589.db2.gz KUMRZBLALYMIES-UHFFFAOYSA-N 1 1 418.519 2.761 50 0 HFAAMO CCCc1nn2c(nc(C[N@@H+](C)Cc3cc(OC)c(OC)c(OC)c3)cc2=O)s1 ZINC000046032396 568424590 /nfs/dbraw/zinc/42/45/90/568424590.db2.gz KUMRZBLALYMIES-UHFFFAOYSA-N 1 1 418.519 2.761 50 0 HFAAMO C[NH+]1CCN(C(=O)C2CCN(C(=O)CCc3cccc(Cl)c3Cl)CC2)CC1 ZINC000048231292 568433425 /nfs/dbraw/zinc/43/34/25/568433425.db2.gz YMPYRRCPAZKTEB-UHFFFAOYSA-N 1 1 412.361 2.939 50 0 HFAAMO CC(C)C[C@H](CNC(=O)Nc1cccc(CN2CCCC2=O)c1)[NH+]1CCOCC1 ZINC000048332260 568440001 /nfs/dbraw/zinc/44/00/01/568440001.db2.gz KKOFXUISPPOIGO-HXUWFJFHSA-N 1 1 402.539 2.677 50 0 HFAAMO C[C@H]1C[NH+](Cc2ccccc2CNC(=O)C2CCN(C(=O)C3CC3)CC2)C[C@H](C)O1 ZINC000048361309 568441268 /nfs/dbraw/zinc/44/12/68/568441268.db2.gz XYQSEWOBJICULW-ROUUACIJSA-N 1 1 413.562 2.561 50 0 HFAAMO COC(=O)c1ccccc1N(C)C(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012328562 568472126 /nfs/dbraw/zinc/47/21/26/568472126.db2.gz OADXKXBTMIMOJY-QGZVFWFLSA-N 1 1 409.486 2.787 50 0 HFAAMO COC(=O)c1ccccc1N(C)C(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012328562 568472127 /nfs/dbraw/zinc/47/21/27/568472127.db2.gz OADXKXBTMIMOJY-QGZVFWFLSA-N 1 1 409.486 2.787 50 0 HFAAMO COc1ccc(-c2noc(C[NH+]3CCC(C(=O)N4CCCC4)CC3)n2)cc1OC ZINC000012332765 568473107 /nfs/dbraw/zinc/47/31/07/568473107.db2.gz FAHRNQCBPRAMTR-UHFFFAOYSA-N 1 1 400.479 2.588 50 0 HFAAMO COc1ccc(C2=NO[C@H](C(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)cc1OC ZINC000020328219 568599155 /nfs/dbraw/zinc/59/91/55/568599155.db2.gz ZASVYYBZGUJEGQ-QFIPXVFZSA-N 1 1 409.486 2.541 50 0 HFAAMO CCN1CC[NH+](CCCNC(=O)c2ccc(C[S@@](=O)c3ccccc3C)o2)CC1 ZINC000020514645 568622579 /nfs/dbraw/zinc/62/25/79/568622579.db2.gz OGSJYMQOSOGLAL-LJAQVGFWSA-N 1 1 417.575 2.653 50 0 HFAAMO CCC[C@@H](NC(=O)Cn1c[nH+]c2c1CCCC2)C(=O)N1CCc2sccc2C1 ZINC000095465211 568623215 /nfs/dbraw/zinc/62/32/15/568623215.db2.gz QTLYLRLTTFAMPQ-QGZVFWFLSA-N 1 1 400.548 2.693 50 0 HFAAMO Cc1nn(-c2ccc(C)cc2)c(-n2cccc2)c1C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000020933797 568652155 /nfs/dbraw/zinc/65/21/55/568652155.db2.gz CVUOPPGRCPQRNA-UHFFFAOYSA-N 1 1 420.561 2.647 50 0 HFAAMO CC[C@@H]1CN(c2cc(C)nc3nc(C(F)(F)F)nn32)[C@@H](CC)C[N@H+]1CC(C)(C)O ZINC000225813546 568676566 /nfs/dbraw/zinc/67/65/66/568676566.db2.gz QGLINCGPSOVOPE-KGLIPLIRSA-N 1 1 414.476 2.902 50 0 HFAAMO O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000225827314 568678545 /nfs/dbraw/zinc/67/85/45/568678545.db2.gz ZDWAIQFVARNWRI-NTKDMRAZSA-N 1 1 421.497 2.507 50 0 HFAAMO Cc1nc2ccccn2c(=O)c1CC[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000225846603 568679885 /nfs/dbraw/zinc/67/98/85/568679885.db2.gz MBWMPEIQUJKFIA-SFHVURJKSA-N 1 1 406.534 2.743 50 0 HFAAMO O=C(C[C@H]1C(=O)NCC[N@H+]1CCCc1ccccc1)NCCc1ccccc1Cl ZINC000012438427 568723066 /nfs/dbraw/zinc/72/30/66/568723066.db2.gz LNCSPSGBYKTBQL-NRFANRHFSA-N 1 1 413.949 2.822 50 0 HFAAMO O=C(C[C@H]1C(=O)NCC[N@@H+]1CCCc1ccccc1)NCCc1ccccc1Cl ZINC000012438427 568723069 /nfs/dbraw/zinc/72/30/69/568723069.db2.gz LNCSPSGBYKTBQL-NRFANRHFSA-N 1 1 413.949 2.822 50 0 HFAAMO CCC[NH+]1CCN(C(=O)c2csc(N3CCN(c4ccc(F)cc4)CC3)n2)CC1 ZINC000096386427 568742941 /nfs/dbraw/zinc/74/29/41/568742941.db2.gz MSRDYFBIPHPBCY-UHFFFAOYSA-N 1 1 417.554 2.777 50 0 HFAAMO O=C(C[NH2+][C@@H](c1cccs1)c1ccccc1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000057435043 568836670 /nfs/dbraw/zinc/83/66/70/568836670.db2.gz YAZXYCULCPZTAI-GOSISDBHSA-N 1 1 412.515 2.713 50 0 HFAAMO COc1cc([C@@H]2NC(=[NH2+])Nc3nc4cc5c(cc4n32)OCCCO5)cc(Cl)c1O ZINC000012507031 568839418 /nfs/dbraw/zinc/83/94/18/568839418.db2.gz YYBJZIHQFPEDJH-QGZVFWFLSA-N 1 1 415.837 2.662 50 0 HFAAMO O=C(c1ccoc1)N1CCC2(C[C@H]2C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000299795107 568876246 /nfs/dbraw/zinc/87/62/46/568876246.db2.gz LDVSOHAJDNXXQN-NRFANRHFSA-N 1 1 407.514 2.866 50 0 HFAAMO O=C(/C=C/c1cccnc1)NCC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000058158148 568893770 /nfs/dbraw/zinc/89/37/70/568893770.db2.gz YVRJDCNKXANROB-RMKNXTFCSA-N 1 1 412.921 2.599 50 0 HFAAMO O=C(/C=C/c1cccnc1)NCC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000058158148 568893771 /nfs/dbraw/zinc/89/37/71/568893771.db2.gz YVRJDCNKXANROB-RMKNXTFCSA-N 1 1 412.921 2.599 50 0 HFAAMO COC(=O)C[C@@H](c1ccc(OC)c(O)c1)c1oc(C[NH+]2CCCCC2)cc(=O)c1O ZINC000217616748 568899104 /nfs/dbraw/zinc/89/91/04/568899104.db2.gz KMBFAEPGJWDSGH-INIZCTEOSA-N 1 1 417.458 2.741 50 0 biogenic HFAAMO COCCN(C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1)C(=O)CN1CCCCC1 ZINC000012713866 568915725 /nfs/dbraw/zinc/91/57/25/568915725.db2.gz QPNRIWUTQRHWLB-NRFANRHFSA-N 1 1 413.606 2.827 50 0 HFAAMO COCCN(C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1)C(=O)CN1CCCCC1 ZINC000012713866 568915728 /nfs/dbraw/zinc/91/57/28/568915728.db2.gz QPNRIWUTQRHWLB-NRFANRHFSA-N 1 1 413.606 2.827 50 0 HFAAMO CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)C[NH2+]Cc2ccccc2OC)c1 ZINC000058445855 568919427 /nfs/dbraw/zinc/91/94/27/568919427.db2.gz CBKHNFHJRBQQHW-UHFFFAOYSA-N 1 1 419.547 2.762 50 0 HFAAMO CC[NH+](CC)[C@@H](CNC(=O)c1cccc(S(C)(=O)=O)c1)c1cccc(OC)c1 ZINC000012751254 568940625 /nfs/dbraw/zinc/94/06/25/568940625.db2.gz TWFRHPMETCINCH-FQEVSTJZSA-N 1 1 404.532 2.912 50 0 HFAAMO Cc1ccc(-c2noc([C@@H](C)N3CCC([N@H+]4CCC[C@@H]4C(N)=O)CC3)n2)cc1F ZINC000084185374 568943371 /nfs/dbraw/zinc/94/33/71/568943371.db2.gz OQEJKKOSLGLSTG-RDTXWAMCSA-N 1 1 401.486 2.659 50 0 HFAAMO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cc(=O)n3ccsc3n2)cc1 ZINC000008266009 568985862 /nfs/dbraw/zinc/98/58/62/568985862.db2.gz RMOWJNXLIYNZLV-CQSZACIVSA-N 1 1 420.560 2.637 50 0 HFAAMO COc1ccc(NC(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)c(OC)c1 ZINC000038589323 569002159 /nfs/dbraw/zinc/00/21/59/569002159.db2.gz DIFIUSKWBSIOGB-UHFFFAOYSA-N 1 1 402.470 2.787 50 0 HFAAMO CN1CCC([N@@H+]2CCN(Cc3ccc4cc(Cl)ccc4n3)C[C@H]2CCO)CC1 ZINC000104487228 569008938 /nfs/dbraw/zinc/00/89/38/569008938.db2.gz QUSMPWLUHSTKSC-OAQYLSRUSA-N 1 1 402.970 2.851 50 0 HFAAMO CN1CCC([N@H+]2CCN(Cc3ccc4cc(Cl)ccc4n3)C[C@H]2CCO)CC1 ZINC000104487228 569008939 /nfs/dbraw/zinc/00/89/39/569008939.db2.gz QUSMPWLUHSTKSC-OAQYLSRUSA-N 1 1 402.970 2.851 50 0 HFAAMO C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC000012931571 569024748 /nfs/dbraw/zinc/02/47/48/569024748.db2.gz MRPJXIORIHVKOO-AWEZNQCLSA-N 1 1 413.440 2.603 50 0 HFAAMO O=C(C[NH2+][C@H](c1cccs1)c1ccc(F)cc1)N1CCN(c2ncccn2)CC1 ZINC000012937097 569027406 /nfs/dbraw/zinc/02/74/06/569027406.db2.gz XGKBGTPARNEMDL-FQEVSTJZSA-N 1 1 411.506 2.705 50 0 HFAAMO O=C1CSc2sc3c(ncn(C[C@@H](c4ccco4)[NH+]4CCCC4)c3=O)c2N1 ZINC000035671668 569048511 /nfs/dbraw/zinc/04/85/11/569048511.db2.gz BDTIVUJGJAEAQR-NSHDSACASA-N 1 1 402.501 2.932 50 0 HFAAMO COc1ccc(S(=O)(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CCN(C)CC2)cc1 ZINC000241316964 569054717 /nfs/dbraw/zinc/05/47/17/569054717.db2.gz LWLUWIFGSNECBT-NHCUHLMSSA-N 1 1 409.596 2.653 50 0 HFAAMO COc1ccc(S(=O)(=O)N(C)[C@@H]2CCCC[C@H]2N(C)C2CC[NH+](C)CC2)cc1 ZINC000241316964 569054718 /nfs/dbraw/zinc/05/47/18/569054718.db2.gz LWLUWIFGSNECBT-NHCUHLMSSA-N 1 1 409.596 2.653 50 0 HFAAMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000248330788 569057706 /nfs/dbraw/zinc/05/77/06/569057706.db2.gz GIOAWWPCSIQNBC-XMODTWTHSA-N 1 1 419.456 2.874 50 0 HFAAMO COc1ccc(CC[N@@H+](C)C[C@H](O)COc2ccc(C(C)=O)cc2OC)cc1OC ZINC000006552209 569065275 /nfs/dbraw/zinc/06/52/75/569065275.db2.gz VIPVWGRBEZSTKS-IBGZPJMESA-N 1 1 417.502 2.829 50 0 HFAAMO O=C(C[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccc(F)c(F)c1)C2=O)N1CCCCC1 ZINC000426444621 569073039 /nfs/dbraw/zinc/07/30/39/569073039.db2.gz OZXIXTGZRZKTSB-QFIPXVFZSA-N 1 1 405.489 2.792 50 0 HFAAMO CC1(C)OC(=O)C2(Cc3ccccc3N3CC[N@H+](Cc4ccccc4)C[C@H]32)C(=O)O1 ZINC000035999472 569074445 /nfs/dbraw/zinc/07/44/45/569074445.db2.gz HKCGEAZXLBYXFW-FQEVSTJZSA-N 1 1 406.482 2.756 50 0 HFAAMO CC1(C)OC(=O)C2(Cc3ccccc3N3CC[N@@H+](Cc4ccccc4)C[C@H]32)C(=O)O1 ZINC000035999472 569074446 /nfs/dbraw/zinc/07/44/46/569074446.db2.gz HKCGEAZXLBYXFW-FQEVSTJZSA-N 1 1 406.482 2.756 50 0 HFAAMO Cc1ccc(C[N@@H+](CCN2CCOCC2)C[C@@H](O)COCc2ccco2)c(C)c1 ZINC000036098862 569091015 /nfs/dbraw/zinc/09/10/15/569091015.db2.gz QXUNAOORYKABSS-JOCHJYFZSA-N 1 1 402.535 2.608 50 0 HFAAMO Cn1ncc2c3ccccc3n(CC(=O)NCCC[N@@H+](C)C3CCCCC3)c2c1=O ZINC000064775917 569093680 /nfs/dbraw/zinc/09/36/80/569093680.db2.gz QEBZYSSSTGFKHY-UHFFFAOYSA-N 1 1 409.534 2.659 50 0 HFAAMO CCC[N@H+](Cc1c(-c2ccccc2)noc1N1CCOCC1)C[C@@H](O)COCC ZINC000036151080 569100536 /nfs/dbraw/zinc/10/05/36/569100536.db2.gz ZKTBMICFAZJBFS-LJQANCHMSA-N 1 1 403.523 2.788 50 0 HFAAMO CCOC(=O)C1C(C[N@@H+]2C[C@H](C)C[C@H](C)C2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000036155590 569102043 /nfs/dbraw/zinc/10/20/43/569102043.db2.gz LZBGTMPVXFKPEY-MDOVXXIYSA-N 1 1 401.507 2.844 50 0 HFAAMO CCOC(=O)C1=C(C[N@H+]2C[C@H](C)C[C@H](C)C2)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000036155590 569102044 /nfs/dbraw/zinc/10/20/44/569102044.db2.gz LZBGTMPVXFKPEY-MDOVXXIYSA-N 1 1 401.507 2.844 50 0 HFAAMO CCOC(=O)C1=C(C[N@@H+]2C[C@H](C)C[C@H](C)C2)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000036155590 569102045 /nfs/dbraw/zinc/10/20/45/569102045.db2.gz LZBGTMPVXFKPEY-MDOVXXIYSA-N 1 1 401.507 2.844 50 0 HFAAMO CCN(CC)C(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000036250154 569119217 /nfs/dbraw/zinc/11/92/17/569119217.db2.gz PWVFPQWKAFDKQM-NRFANRHFSA-N 1 1 415.534 2.600 50 0 HFAAMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CNC(=O)COc1ccccc1 ZINC000036392964 569167918 /nfs/dbraw/zinc/16/79/18/569167918.db2.gz KRXIRDOSTKXQDU-IBGZPJMESA-N 1 1 409.530 2.872 50 0 HFAAMO COc1ccc(COC[C@H](O)C[N@@H+](C)Cc2ccc(OC)c(OC)c2OC)cc1 ZINC000006941279 569186695 /nfs/dbraw/zinc/18/66/95/569186695.db2.gz DLHCMMKDBTUBMW-GOSISDBHSA-N 1 1 405.491 2.731 50 0 HFAAMO COc1ccc(COC[C@@H](O)C[N@@H+](C)Cc2ccc(OC)c(OC)c2OC)cc1 ZINC000006941277 569186702 /nfs/dbraw/zinc/18/67/02/569186702.db2.gz 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UZTRXWXTYVYGIC-IBGZPJMESA-N 1 1 412.534 2.982 50 0 HFAAMO COc1c(C)cccc1C(=O)Nc1ccccc1C(=O)NCCC[NH+]1CCOCC1 ZINC000019897332 558303954 /nfs/dbraw/zinc/30/39/54/558303954.db2.gz UHSITZZGKUZINM-UHFFFAOYSA-N 1 1 411.502 2.708 50 0 HFAAMO Cc1nc(C)c(CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(=O)[nH]1 ZINC000019937478 558312514 /nfs/dbraw/zinc/31/25/14/558312514.db2.gz VNWQSHSZYKXZLV-UHFFFAOYSA-N 1 1 416.525 2.863 50 0 HFAAMO O[C@H](COc1ccccc1C[NH2+]CCOc1ccccc1)CN1CCSCC1 ZINC000012073409 558318454 /nfs/dbraw/zinc/31/84/54/558318454.db2.gz NJAHAMFENUZHJD-FQEVSTJZSA-N 1 1 402.560 2.644 50 0 HFAAMO COC(=O)c1cn([C@@H]2C[C@@H](C(=O)Nc3cccc(SC)c3)[N@@H+](CC(C)C)C2)nn1 ZINC000012124637 558330996 /nfs/dbraw/zinc/33/09/96/558330996.db2.gz OBIBCWOSCKAAEN-QAPCUYQASA-N 1 1 417.535 2.697 50 0 HFAAMO CN1CCC([N@@H+]2CCN(Cc3ccc4cc(Cl)ccc4n3)C[C@@H]2CCO)CC1 ZINC000020166067 558342859 /nfs/dbraw/zinc/34/28/59/558342859.db2.gz QUSMPWLUHSTKSC-NRFANRHFSA-N 1 1 402.970 2.851 50 0 HFAAMO CN1CCC([N@H+]2CCN(Cc3ccc4cc(Cl)ccc4n3)C[C@@H]2CCO)CC1 ZINC000020166067 558342860 /nfs/dbraw/zinc/34/28/60/558342860.db2.gz QUSMPWLUHSTKSC-NRFANRHFSA-N 1 1 402.970 2.851 50 0 HFAAMO CCOC(=O)N1CCN([C@H]2CCC[N@H+](Cc3nccn3-c3cccc(C)c3)C2)CC1 ZINC000020351963 558356868 /nfs/dbraw/zinc/35/68/68/558356868.db2.gz ZZETYFZXZHBUBY-NRFANRHFSA-N 1 1 411.550 2.919 50 0 HFAAMO CCOC(=O)N1CCN([C@H]2CCC[N@@H+](Cc3nccn3-c3cccc(C)c3)C2)CC1 ZINC000020351963 558356869 /nfs/dbraw/zinc/35/68/69/558356869.db2.gz ZZETYFZXZHBUBY-NRFANRHFSA-N 1 1 411.550 2.919 50 0 HFAAMO COc1ccc2cc(Br)ccc2c1CC(=O)NCCC[NH+]1CCOCC1 ZINC000020362892 558358127 /nfs/dbraw/zinc/35/81/27/558358127.db2.gz FDCDOGNLKVGTMX-UHFFFAOYSA-N 1 1 421.335 2.992 50 0 HFAAMO CCCc1nnc(NC(=O)CCC(=O)N2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000020437355 558363152 /nfs/dbraw/zinc/36/31/52/558363152.db2.gz PZWQZJLALOHKHK-UHFFFAOYSA-N 1 1 401.536 2.554 50 0 HFAAMO COc1cccc2[nH]c(C(=O)N[C@@H](C)C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc21 ZINC000020745192 558409918 /nfs/dbraw/zinc/40/99/18/558409918.db2.gz IHRXSZHJCWUCHL-KRWDZBQOSA-N 1 1 420.513 2.639 50 0 HFAAMO CN(C(=O)c1ccc2c(c1)C(=O)N(C)C2=O)[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000012453792 558416625 /nfs/dbraw/zinc/41/66/25/558416625.db2.gz ORJQMWHTQMYOEN-KRWDZBQOSA-N 1 1 409.461 2.788 50 0 HFAAMO CN(C(=O)c1ccc2c(c1)C(=O)N(C)C2=O)[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000012453792 558416627 /nfs/dbraw/zinc/41/66/27/558416627.db2.gz ORJQMWHTQMYOEN-KRWDZBQOSA-N 1 1 409.461 2.788 50 0 HFAAMO C[N@@H+](CCO)[C@@H]1CCc2c(sc3ncn(Cc4ccccc4Cl)c(=O)c32)C1 ZINC000012513030 558424280 /nfs/dbraw/zinc/42/42/80/558424280.db2.gz FDXPZKPSNVNAFV-CQSZACIVSA-N 1 1 403.935 2.941 50 0 HFAAMO c1cc(CN2CCN([C@H]3CCC[N@H+](C4CCSCC4)C3)CC2)cc2c1OCO2 ZINC000020999046 558427736 /nfs/dbraw/zinc/42/77/36/558427736.db2.gz IPQZMGVWRDIQOH-FQEVSTJZSA-N 1 1 403.592 2.893 50 0 HFAAMO O=C(NCc1cc(F)cc(F)c1)[C@H]1CCC[N@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000012580026 558432324 /nfs/dbraw/zinc/43/23/24/558432324.db2.gz CJAMYEVVRFMMPX-KRWDZBQOSA-N 1 1 405.489 2.694 50 0 HFAAMO Cc1nc(N2CCCC2)cc(N2CCN(C(=O)Nc3ccc4c(c3)OCCO4)CC2)[nH+]1 ZINC000021795864 558449665 /nfs/dbraw/zinc/44/96/65/558449665.db2.gz TZTUSLCHQSNQOC-UHFFFAOYSA-N 1 1 424.505 2.511 50 0 HFAAMO O=C(CC[NH+]1CCN(CC(=O)Nc2ccc(F)cc2)CC1)Nc1ccc(F)c(F)c1 ZINC000022934004 558525688 /nfs/dbraw/zinc/52/56/88/558525688.db2.gz NMLHDOWZKUXBEP-UHFFFAOYSA-N 1 1 420.435 2.689 50 0 HFAAMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccc(Cn3nnc4ccccc43)cc2)C1 ZINC000023240070 558545182 /nfs/dbraw/zinc/54/51/82/558545182.db2.gz DNKJZALKUVWYQR-HXUWFJFHSA-N 1 1 407.518 2.566 50 0 HFAAMO CCOc1ccc(C[N@@H+]2CCN(Cc3ccc(F)c(F)c3)[C@@H](CCO)C2)cc1CO ZINC000023375265 558554838 /nfs/dbraw/zinc/55/48/38/558554838.db2.gz IOPBFZDWYBBEGB-FQEVSTJZSA-N 1 1 420.500 2.925 50 0 HFAAMO CCOc1ccc(C[N@H+]2CCN(Cc3ccc(F)c(F)c3)[C@@H](CCO)C2)cc1CO ZINC000023375265 558554840 /nfs/dbraw/zinc/55/48/40/558554840.db2.gz IOPBFZDWYBBEGB-FQEVSTJZSA-N 1 1 420.500 2.925 50 0 HFAAMO COc1ccc(COC[C@H](O)C[N@H+]2CCN(C)C[C@@H]2c2ccccc2)cc1OC ZINC000023731245 558571340 /nfs/dbraw/zinc/57/13/40/558571340.db2.gz WOAXSUWVDASJRO-NHCUHLMSSA-N 1 1 400.519 2.570 50 0 HFAAMO COc1ccc(COC[C@H](O)CN2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1OC ZINC000023731245 558571344 /nfs/dbraw/zinc/57/13/44/558571344.db2.gz WOAXSUWVDASJRO-NHCUHLMSSA-N 1 1 400.519 2.570 50 0 HFAAMO COc1ccc(COC[C@H](O)CN2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1OC ZINC000023731245 558571347 /nfs/dbraw/zinc/57/13/47/558571347.db2.gz WOAXSUWVDASJRO-NHCUHLMSSA-N 1 1 400.519 2.570 50 0 HFAAMO Cc1[nH]c(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)c(C)c1C(=O)OC(C)C ZINC000023736641 558572302 /nfs/dbraw/zinc/57/23/02/558572302.db2.gz PLQRDLRPDICODD-UHFFFAOYSA-N 1 1 405.539 2.962 50 0 HFAAMO CC(C)[C@@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)N1C(=O)c2ccccc2C1=O ZINC000023989510 558583457 /nfs/dbraw/zinc/58/34/57/558583457.db2.gz AFFMPOCUQYQEBU-NRFANRHFSA-N 1 1 405.498 2.652 50 0 HFAAMO COc1ccc(C[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)[C@H](C)Cc2cccs2)cc1 ZINC000014076977 558618028 /nfs/dbraw/zinc/61/80/28/558618028.db2.gz HBQYXHZNOLXGMF-MRXNPFEDSA-N 1 1 413.543 2.788 50 0 HFAAMO Cc1nc2scc(-c3cccs3)c2c(N(C)CC(=O)N2CC[NH+](C)CC2)n1 ZINC000014189325 558632279 /nfs/dbraw/zinc/63/22/79/558632279.db2.gz UWJHKGVPEJFVEW-UHFFFAOYSA-N 1 1 401.561 2.938 50 0 HFAAMO O[C@H](COc1cc(Cl)c(Cl)cc1Cl)C[NH+]1CCN(c2ncccn2)CC1 ZINC000025194951 558634369 /nfs/dbraw/zinc/63/43/69/558634369.db2.gz PLYGMUNHSBSGQV-LBPRGKRZSA-N 1 1 417.724 2.999 50 0 HFAAMO CCC[NH+]1CCN(C(=O)c2c(=O)cc(C)n(CCOC)c2CC2CCCC2)CC1 ZINC000014881102 558676285 /nfs/dbraw/zinc/67/62/85/558676285.db2.gz ZCGFRFWCFDEZKG-UHFFFAOYSA-N 1 1 403.567 2.704 50 0 HFAAMO CCC[N@@H+]1CCc2nnc([C@H](CC(C)C)NC(=O)c3ccc(COC)o3)n2CC1 ZINC000014969360 558686950 /nfs/dbraw/zinc/68/69/50/558686950.db2.gz RNRFGYGHCJLBOY-KRWDZBQOSA-N 1 1 403.527 2.803 50 0 HFAAMO CCC(=O)N[C@H](c1nnc2n1CC[N@H+](Cc1ccc(OC)cc1OC)CC2)C(C)C ZINC000015003460 558698655 /nfs/dbraw/zinc/69/86/55/558698655.db2.gz RKEPPBWJXMIKES-NRFANRHFSA-N 1 1 415.538 2.577 50 0 HFAAMO COC(=O)C1CCN(C[C@@H](O)COc2ccc(C[NH2+]Cc3ccsc3)cc2)CC1 ZINC000015062689 558705445 /nfs/dbraw/zinc/70/54/45/558705445.db2.gz SLKPUIUKKQWSPC-HXUWFJFHSA-N 1 1 418.559 2.663 50 0 HFAAMO COc1cc(C[NH2+]C(C2CC2)C2CC2)ccc1OC[C@@H](O)CN1CCSCC1 ZINC000015064422 558707327 /nfs/dbraw/zinc/70/73/27/558707327.db2.gz ZPQLWKUUBMSLAX-IBGZPJMESA-N 1 1 406.592 2.762 50 0 HFAAMO CCc1c(C(=O)NCC[C@H]2CCC[N@H+]2C)c(=O)cc(C)n1Cc1ccccc1OC ZINC000015071896 558713502 /nfs/dbraw/zinc/71/35/02/558713502.db2.gz ASAKIHBKHBYXPN-LJQANCHMSA-N 1 1 411.546 2.990 50 0 HFAAMO O=C(NCc1ccon1)[C@@H]1CCC[N@@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC000015073889 558714763 /nfs/dbraw/zinc/71/47/63/558714763.db2.gz ZHLKCROGWOCPGI-HXUWFJFHSA-N 1 1 408.546 2.635 50 0 HFAAMO O=C(NCc1ccon1)[C@@H]1CCC[N@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC000015073889 558714766 /nfs/dbraw/zinc/71/47/66/558714766.db2.gz ZHLKCROGWOCPGI-HXUWFJFHSA-N 1 1 408.546 2.635 50 0 HFAAMO CCOC(=O)c1nn(C[NH+]2CCC3(CC2)OCCO3)c2ccc(Br)cc21 ZINC000072289761 558722248 /nfs/dbraw/zinc/72/22/48/558722248.db2.gz MVGYTRXJJASICW-UHFFFAOYSA-N 1 1 424.295 2.772 50 0 HFAAMO COCC[N@H+]1CCc2nc3sc(SCc4cccc(F)c4)nn3c(=O)c2C1 ZINC000015414195 558738929 /nfs/dbraw/zinc/73/89/29/558738929.db2.gz LTLHYOVJHKZKNY-UHFFFAOYSA-N 1 1 406.508 2.587 50 0 HFAAMO NC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000015999116 558766062 /nfs/dbraw/zinc/76/60/62/558766062.db2.gz JXAANMNICNPDMZ-CBPXPLCBSA-N 1 1 409.445 2.841 50 0 HFAAMO NC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000015999116 558766065 /nfs/dbraw/zinc/76/60/65/558766065.db2.gz JXAANMNICNPDMZ-CBPXPLCBSA-N 1 1 409.445 2.841 50 0 HFAAMO CN1CC[NH+](CCOc2ccc(NC(=O)NCCCOC3CCCC3)cc2)CC1 ZINC000072309744 558773938 /nfs/dbraw/zinc/77/39/38/558773938.db2.gz FBQAOHGTZJNHFA-UHFFFAOYSA-N 1 1 404.555 2.784 50 0 HFAAMO CCN1CCN(CC(=O)N[C@H]2CCC[N@H+](Cc3ccc(CC(C)C)cc3)C2)CC1 ZINC000039421037 558821027 /nfs/dbraw/zinc/82/10/27/558821027.db2.gz QCZIJXAQAUVFCU-QHCPKHFHSA-N 1 1 400.611 2.603 50 0 HFAAMO CCN1CCN(CC(=O)N[C@H]2CCC[N@@H+](Cc3ccc(CC(C)C)cc3)C2)CC1 ZINC000039421037 558821030 /nfs/dbraw/zinc/82/10/30/558821030.db2.gz QCZIJXAQAUVFCU-QHCPKHFHSA-N 1 1 400.611 2.603 50 0 HFAAMO O=C(C1CC[NH+]([C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1)N1CCCCCC1 ZINC000018271458 558835210 /nfs/dbraw/zinc/83/52/10/558835210.db2.gz UVPLPHGTFUZTKW-IBGZPJMESA-N 1 1 401.482 2.572 50 0 HFAAMO CCS(=O)(=O)c1ncc(CN(C)C[C@@H]2CCC[N@H+]2C)n1CCCc1ccccc1 ZINC000019336692 558870035 /nfs/dbraw/zinc/87/00/35/558870035.db2.gz RCYLHPSFZKYAJD-FQEVSTJZSA-N 1 1 418.607 2.836 50 0 HFAAMO COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@@H]1c2c(cc3c(c2OC)OCO3)CC[N@H+]1C ZINC000019418977 558885333 /nfs/dbraw/zinc/88/53/33/558885333.db2.gz AKNNEGZIBPJZJG-ROUUACIJSA-N 1 1 413.426 2.882 50 0 endogenous,in-man HFAAMO COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@@H]1c2c(cc3c(c2OC)OCO3)CC[N@@H+]1C ZINC000019418977 558885336 /nfs/dbraw/zinc/88/53/36/558885336.db2.gz AKNNEGZIBPJZJG-ROUUACIJSA-N 1 1 413.426 2.882 50 0 endogenous,in-man HFAAMO CS(=O)(=O)c1ccc(S(=O)(=O)NCC2([NH+]3CCCCC3)CCCCC2)cc1 ZINC000058045450 558896508 /nfs/dbraw/zinc/89/65/08/558896508.db2.gz NKTKJCKMGWJABZ-UHFFFAOYSA-N 1 1 414.593 2.557 50 0 HFAAMO CC(C)Cn1cncc1CN1CCC([N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000071405749 558897621 /nfs/dbraw/zinc/89/76/21/558897621.db2.gz VOTBBBCARCKTJB-FQEVSTJZSA-N 1 1 401.599 2.838 50 0 HFAAMO Cc1nc(-c2cccc(NC(=O)NC[C@H]([C@H]3CCOC3)[NH+]3CCOCC3)c2)cs1 ZINC000058067130 558897835 /nfs/dbraw/zinc/89/78/35/558897835.db2.gz DQPJWTWQWWJMSU-FXAWDEMLSA-N 1 1 416.547 2.977 50 0 HFAAMO CN(Cc1ncc[nH]1)C(=O)[C@H]1CCC[N@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000071479547 558902337 /nfs/dbraw/zinc/90/23/37/558902337.db2.gz AUDOMFITSXACRV-NRFANRHFSA-N 1 1 409.578 2.787 50 0 HFAAMO O=C(NC1CC1)[C@H]1CCC[N@H+](C2CCN(C(=O)c3cc(-c4ccccc4)n[nH]3)CC2)C1 ZINC000071751980 558909405 /nfs/dbraw/zinc/90/94/05/558909405.db2.gz JWOOQOYSOCVGAL-SFHVURJKSA-N 1 1 421.545 2.672 50 0 HFAAMO O=C(NC1CC1)[C@H]1CCC[N@@H+](C2CCN(C(=O)c3cc(-c4ccccc4)[nH]n3)CC2)C1 ZINC000071751980 558909407 /nfs/dbraw/zinc/90/94/07/558909407.db2.gz JWOOQOYSOCVGAL-SFHVURJKSA-N 1 1 421.545 2.672 50 0 HFAAMO O=C(NC1CC1)[C@H]1CCC[N@H+](C2CCN(C(=O)c3cc(-c4ccccc4)[nH]n3)CC2)C1 ZINC000071751980 558909409 /nfs/dbraw/zinc/90/94/09/558909409.db2.gz JWOOQOYSOCVGAL-SFHVURJKSA-N 1 1 421.545 2.672 50 0 HFAAMO CN(Cc1ncc[nH]1)C(=O)[C@H]1CCC[N@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000071774980 558911472 /nfs/dbraw/zinc/91/14/72/558911472.db2.gz BVGIWVBQLFNUON-KRWDZBQOSA-N 1 1 422.533 2.890 50 0 HFAAMO CC(C)C[C@H](CNC(=O)Nc1ccc(C(=O)c2nccn2C)cc1)[NH+]1CCOCC1 ZINC000058246134 558914733 /nfs/dbraw/zinc/91/47/33/558914733.db2.gz RPANCZYTDXMDDG-LJQANCHMSA-N 1 1 413.522 2.520 50 0 HFAAMO C[N@H+]1CCCN(c2ccc(CNC(=O)Nc3ccc(N4CCCCC4)nc3)cn2)CC1 ZINC000058279556 558916280 /nfs/dbraw/zinc/91/62/80/558916280.db2.gz RWFRFGMZBYSYCA-UHFFFAOYSA-N 1 1 423.565 2.931 50 0 HFAAMO Cc1ccc(NC(=O)N2CCN(c3cc[nH+]c(N4CCOCC4)n3)CC2)cc1Cl ZINC000072115870 558926967 /nfs/dbraw/zinc/92/69/67/558926967.db2.gz JDVGWBGWJVTJRK-UHFFFAOYSA-N 1 1 416.913 2.629 50 0 HFAAMO COc1ccccc1N1CC[NH+]([C@H]2CCCN(C(=O)c3csc(C)n3)C2)CC1 ZINC000061969710 558947390 /nfs/dbraw/zinc/94/73/90/558947390.db2.gz DKMWIMYQDZKLEU-KRWDZBQOSA-N 1 1 400.548 2.887 50 0 HFAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)c2nnc(C(=O)Nc3ccc(F)cc3)s2)C1 ZINC000033060267 558954638 /nfs/dbraw/zinc/95/46/38/558954638.db2.gz RSIGFYWISJMAJM-CYBMUJFWSA-N 1 1 405.499 2.781 50 0 HFAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)CCc1nnc(C(=O)Nc2ccccc2)s1 ZINC000033061694 558955224 /nfs/dbraw/zinc/95/52/24/558955224.db2.gz QWFJVTMKQWMPDI-OAHLLOKOSA-N 1 1 401.536 2.714 50 0 HFAAMO C/C(=C\c1ccco1)C[N@@H+]1CCc2nnc(CCNC(=O)c3ccc(F)cc3)n2CC1 ZINC000064074496 558961807 /nfs/dbraw/zinc/96/18/07/558961807.db2.gz SVIWNBCXNWNAGW-BMRADRMJSA-N 1 1 423.492 2.944 50 0 HFAAMO CSc1cccc(NC(=O)NCCNc2cc(N3CCOCC3)[nH+]c(C)n2)c1 ZINC000065362691 558973476 /nfs/dbraw/zinc/97/34/76/558973476.db2.gz CAKCYUXZPJRISP-UHFFFAOYSA-N 1 1 402.524 2.577 50 0 HFAAMO CCNc1cc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)[nH+]c(C)n1 ZINC000065365033 558975943 /nfs/dbraw/zinc/97/59/43/558975943.db2.gz MBKGHZGPFQKOFO-UHFFFAOYSA-N 1 1 404.312 2.942 50 0 HFAAMO COCC[N@@H+](C)CCN1CC2(CCN(Cc3ccc(Cl)c(F)c3)CC2)OC1=O ZINC000072426144 558978799 /nfs/dbraw/zinc/97/87/99/558978799.db2.gz RNXJXLRXFLRCDJ-UHFFFAOYSA-N 1 1 413.921 2.844 50 0 HFAAMO Cc1nc(C)c(C(=O)N2CCN(c3cc(N4CCCCC4)nc(C)[nH+]3)CC2)s1 ZINC000067629803 558990206 /nfs/dbraw/zinc/99/02/06/558990206.db2.gz PXZHHXDAHNDJNQ-UHFFFAOYSA-N 1 1 400.552 2.811 50 0 HFAAMO Cc1[nH+]ccn1-c1cc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)ncn1 ZINC000067630288 558990415 /nfs/dbraw/zinc/99/04/15/558990415.db2.gz NEKPASNHZNNYKT-UHFFFAOYSA-N 1 1 416.407 2.952 50 0 HFAAMO Cc1nonc1C(=O)N1CCC[C@@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000067675651 558991271 /nfs/dbraw/zinc/99/12/71/558991271.db2.gz JMWXKBOOGMDHQK-QGZVFWFLSA-N 1 1 423.439 2.824 50 0 HFAAMO CCOc1ccccc1C[N@@H+]1CCN(Cc2ccc(OC)c(O)c2)C[C@@H]1CCO ZINC000076837697 558997873 /nfs/dbraw/zinc/99/78/73/558997873.db2.gz PCYQMEKSPLBSBC-FQEVSTJZSA-N 1 1 400.519 2.868 50 0 HFAAMO CCOc1ccccc1C[N@H+]1CCN(Cc2ccc(OC)c(O)c2)C[C@@H]1CCO ZINC000076837697 558997875 /nfs/dbraw/zinc/99/78/75/558997875.db2.gz PCYQMEKSPLBSBC-FQEVSTJZSA-N 1 1 400.519 2.868 50 0 HFAAMO Cc1cn2cc(CNC(=O)c3ccc(C[N@@H+]4CCC[C@@H](C)CC4)[nH]c3=O)nc2s1 ZINC000077565005 559009307 /nfs/dbraw/zinc/00/93/07/559009307.db2.gz MCCMXWNTIIOCEH-CQSZACIVSA-N 1 1 413.547 2.945 50 0 HFAAMO CC(=O)N1c2ccc(S(=O)(=O)NC[C@@H](c3ccccc3)[NH+](C)C)cc2C[C@H]1C ZINC000097023848 559017961 /nfs/dbraw/zinc/01/79/61/559017961.db2.gz NWNJMIPSVQMULM-VFNWGFHPSA-N 1 1 401.532 2.565 50 0 HFAAMO Cc1occc1C(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082092801 559037150 /nfs/dbraw/zinc/03/71/50/559037150.db2.gz HUVJIZAHHPEZSL-GOSISDBHSA-N 1 1 410.518 2.616 50 0 HFAAMO O=C(NCc1cccnc1)[C@H]1CCC[N@H+](C2CCN(C(=O)NC3CCCC3)CC2)C1 ZINC000082148483 559041066 /nfs/dbraw/zinc/04/10/66/559041066.db2.gz QZXFNXPFBVESBV-IBGZPJMESA-N 1 1 413.566 2.526 50 0 HFAAMO CC(C)CCC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000082170926 559042209 /nfs/dbraw/zinc/04/22/09/559042209.db2.gz VKMGTSZKJSHMFK-HXUWFJFHSA-N 1 1 400.567 2.837 50 0 HFAAMO O=C(c1cccc(Br)c1)N1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC000082230595 559042886 /nfs/dbraw/zinc/04/28/86/559042886.db2.gz ISOARFFIJXFIQZ-UHFFFAOYSA-N 1 1 416.323 2.802 50 0 HFAAMO COCCC[N@H+]1CCc2nc(SCC(=O)Nc3cc(C)cc(C)c3)[nH]c(=O)c2C1 ZINC000033331759 559062530 /nfs/dbraw/zinc/06/25/30/559062530.db2.gz JUEQOQJDVVNNQN-UHFFFAOYSA-N 1 1 416.547 2.924 50 0 HFAAMO CCOC1CCN(C(=O)[C@@H]2CCC[N@H+](C3CCN(Cc4cccnc4)CC3)C2)CC1 ZINC000091486722 559071773 /nfs/dbraw/zinc/07/17/73/559071773.db2.gz VTNRLYLKDHSRSE-OAQYLSRUSA-N 1 1 414.594 2.786 50 0 HFAAMO COC(C)(C)CNC(=O)[C@H]1CCC[N@@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC000091621045 559072442 /nfs/dbraw/zinc/07/24/42/559072442.db2.gz ZDPINOKCHZMYGH-NRFANRHFSA-N 1 1 413.606 2.871 50 0 HFAAMO COC(C)(C)CNC(=O)[C@H]1CCC[N@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC000091621045 559072444 /nfs/dbraw/zinc/07/24/44/559072444.db2.gz ZDPINOKCHZMYGH-NRFANRHFSA-N 1 1 413.606 2.871 50 0 HFAAMO Cc1cccnc1CNC(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000091656534 559072769 /nfs/dbraw/zinc/07/27/69/559072769.db2.gz HVVSGCAAAPGVAX-OAQYLSRUSA-N 1 1 407.562 2.778 50 0 HFAAMO COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CC[N@H+](Cc1cccc3nonc31)C2 ZINC000095354193 559079660 /nfs/dbraw/zinc/07/96/60/559079660.db2.gz IRMKBPBRSNBVBM-KNKQGSTJSA-N 1 1 400.523 2.562 50 0 HFAAMO COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CC[N@@H+](Cc1cccc3nonc31)C2 ZINC000095354193 559079662 /nfs/dbraw/zinc/07/96/62/559079662.db2.gz IRMKBPBRSNBVBM-KNKQGSTJSA-N 1 1 400.523 2.562 50 0 HFAAMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2cccc(I)c2)C[C@H](C)O1 ZINC000014340139 559164091 /nfs/dbraw/zinc/16/40/91/559164091.db2.gz KIAMZSXIWZIHPG-BETUJISGSA-N 1 1 416.303 2.909 50 0 HFAAMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2cccc(I)c2)C[C@H](C)O1 ZINC000014340139 559164093 /nfs/dbraw/zinc/16/40/93/559164093.db2.gz KIAMZSXIWZIHPG-BETUJISGSA-N 1 1 416.303 2.909 50 0 HFAAMO COc1ccc(-c2cnc3ncnn3c2N2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000023447188 559175394 /nfs/dbraw/zinc/17/53/94/559175394.db2.gz HKMCWNKTONXCCF-UHFFFAOYSA-N 1 1 401.474 2.517 50 0 HFAAMO O=C(NCCc1ccc(F)cc1)[C@H]1CCC[N@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000011699896 559190030 /nfs/dbraw/zinc/19/00/30/559190030.db2.gz AIWJHFPFIOPOSW-IBGZPJMESA-N 1 1 401.526 2.597 50 0 HFAAMO C[N@@H+](CCCNC(=O)Cn1ncc2c1c1ccccc1oc2=O)Cc1ccccc1 ZINC000005004119 559226781 /nfs/dbraw/zinc/22/67/81/559226781.db2.gz XAOODYIAHGFJGM-UHFFFAOYSA-N 1 1 404.470 2.781 50 0 HFAAMO Cc1oc(-c2ccc(Cl)cc2)nc1C[S@@](=O)CC(=O)NCC[NH+]1CCCC1 ZINC000005058117 559238315 /nfs/dbraw/zinc/23/83/15/559238315.db2.gz FKYHHKNLGIQSIX-MHZLTWQESA-N 1 1 409.939 2.764 50 0 aggregator HFAAMO CCCC[N@@H+](CC)CCCNC(=O)Cn1nc(CC)n2c3ccsc3cc2c1=O ZINC000005109007 559246802 /nfs/dbraw/zinc/24/68/02/559246802.db2.gz CQKRVDPNKNTKIN-UHFFFAOYSA-N 1 1 417.579 2.901 50 0 HFAAMO CCC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](c2cccn2C)[NH+]2CCCC2)c(C)c1 ZINC000011846961 559261911 /nfs/dbraw/zinc/26/19/11/559261911.db2.gz ZYVSJQQTTKNMGJ-IBGZPJMESA-N 1 1 418.563 2.797 50 0 HFAAMO CCOC(=O)[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H]1c1ccc(OC)c(OC)c1 ZINC000248290169 559269841 /nfs/dbraw/zinc/26/98/41/559269841.db2.gz KURCBZOGMNUATP-ZWKOTPCHSA-N 1 1 404.507 2.785 50 0 HFAAMO CCOC(=O)[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@H]1c1ccc(OC)c(OC)c1 ZINC000248290169 559269843 /nfs/dbraw/zinc/26/98/43/559269843.db2.gz KURCBZOGMNUATP-ZWKOTPCHSA-N 1 1 404.507 2.785 50 0 HFAAMO COCCCN(C[C@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)CN1Cc2ccccc2C1=O ZINC000583647560 560778850 /nfs/dbraw/zinc/77/88/50/560778850.db2.gz KBJJUMVTEAILRL-IFMALSPDSA-N 1 1 413.562 2.772 50 0 biogenic HFAAMO Cc1ccc2c(CN3CC[N@@H+](C)C[C@H]3CNC(=O)OC(C)(C)C)cc(=O)oc2c1 ZINC000107364858 560896228 /nfs/dbraw/zinc/89/62/28/560896228.db2.gz OOKLFXWVTSLFRJ-QGZVFWFLSA-N 1 1 401.507 2.742 50 0 HFAAMO Cc1ccc2c(CN3CC[N@H+](C)C[C@H]3CNC(=O)OC(C)(C)C)cc(=O)oc2c1 ZINC000107364858 560896229 /nfs/dbraw/zinc/89/62/29/560896229.db2.gz OOKLFXWVTSLFRJ-QGZVFWFLSA-N 1 1 401.507 2.742 50 0 HFAAMO O=C(Cc1csc2nc(-c3ccc(F)cc3)cn12)NCCC[NH+]1CCOCC1 ZINC000022852771 568415590 /nfs/dbraw/zinc/41/55/90/568415590.db2.gz MWRVRSWKFOFTLZ-UHFFFAOYSA-N 1 1 402.495 2.583 50 0 HFAAMO COc1ccc(NC(=O)Cn2c(C)nc3c(c2=O)C[N@@H+](Cc2ccccc2)CC3)cc1 ZINC000049400779 568447684 /nfs/dbraw/zinc/44/76/84/568447684.db2.gz IAVJLDZWDOQSKZ-UHFFFAOYSA-N 1 1 418.497 2.757 50 0 HFAAMO COc1cc(NC(=O)COc2coc(C[NH+]3CCCCC3)cc2=O)cc(OC)c1 ZINC000049549024 568451694 /nfs/dbraw/zinc/45/16/94/568451694.db2.gz AJBFMGURTCBJMB-UHFFFAOYSA-N 1 1 402.447 2.660 50 0 HFAAMO CN1c2ccccc2O/C(=C\c2ccc(C(=O)NCCC[NH+]3CCOCC3)cc2)C1=O ZINC000020179380 568593108 /nfs/dbraw/zinc/59/31/08/568593108.db2.gz FQTPITISBXGLDW-XLNRJJMWSA-N 1 1 421.497 2.535 50 0 HFAAMO CCN1CC[NH+](CCCNC(=O)c2cc3c(s2)c2cc(C)ccc2[nH]c3=O)CC1 ZINC000020329267 568599080 /nfs/dbraw/zinc/59/90/80/568599080.db2.gz IWVVYLORFBKBLH-UHFFFAOYSA-N 1 1 412.559 2.809 50 0 HFAAMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000095407516 568606286 /nfs/dbraw/zinc/60/62/86/568606286.db2.gz KROSTEAXRXFXIJ-IAGOWNOFSA-N 1 1 406.552 2.562 50 0 HFAAMO C[C@@]12CCC(=O)N1[C@H](C(=O)N1CC[NH+](Cc3csc4ccccc34)CC1)CS2 ZINC000040013336 568609440 /nfs/dbraw/zinc/60/94/40/568609440.db2.gz VBAUWIYDLOWASR-LAUBAEHRSA-N 1 1 415.584 3.000 50 0 HFAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc(C[S@@](=O)c2ccccc2Cl)o1 ZINC000020514702 568622491 /nfs/dbraw/zinc/62/24/91/568622491.db2.gz CXBCDSNCAFOJTK-MHZLTWQESA-N 1 1 410.923 2.693 50 0 HFAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc(-n2c(=O)c3ccccc3[nH]c2=S)cc1 ZINC000020645368 568638979 /nfs/dbraw/zinc/63/89/79/568638979.db2.gz FMFTVLYCARDBKC-UHFFFAOYSA-N 1 1 424.526 2.500 50 0 HFAAMO CC[C@@H]1CN(C(=O)Nc2ccn(CC(F)(F)F)n2)[C@@H](CC)C[N@H+]1CC(C)(C)O ZINC000225524580 568647107 /nfs/dbraw/zinc/64/71/07/568647107.db2.gz FVMMINMOUJMXMZ-KGLIPLIRSA-N 1 1 405.465 2.923 50 0 HFAAMO COc1ccc(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1S(=O)(=O)N1CCCCC1 ZINC000225748061 568671113 /nfs/dbraw/zinc/67/11/13/568671113.db2.gz SAOCFXWLKMLKPL-HOTGVXAUSA-N 1 1 409.552 2.539 50 0 HFAAMO COc1ccccc1CN(C)C(=O)C[N@H+]1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000095995471 568678521 /nfs/dbraw/zinc/67/85/21/568678521.db2.gz MQXJSIPYOYMMMI-SJORKVTESA-N 1 1 405.539 2.889 50 0 HFAAMO Cc1ccnc(Nc2cc(NCCNS(=O)(=O)Cc3ccccc3)[nH+]c(C)n2)c1 ZINC000096025004 568686265 /nfs/dbraw/zinc/68/62/65/568686265.db2.gz BVMKJFFJGOJNOG-UHFFFAOYSA-N 1 1 412.519 2.764 50 0 HFAAMO O=C1Nc2ccc(Cl)cc2[C@]12[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000226930601 568698897 /nfs/dbraw/zinc/69/88/97/568698897.db2.gz WMLIDXMCWWRYCP-FBAVSBLXSA-N 1 1 407.857 2.771 50 0 HFAAMO O=C1Nc2ccc(Cl)cc2[C@]12[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000226930601 568698900 /nfs/dbraw/zinc/69/89/00/568698900.db2.gz WMLIDXMCWWRYCP-FBAVSBLXSA-N 1 1 407.857 2.771 50 0 HFAAMO CCN(CC)c1ncc2c(n1)CC[C@@H](C(=O)NCC[N@H+]1CCc3ccccc3C1)C2 ZINC000096310535 568724484 /nfs/dbraw/zinc/72/44/84/568724484.db2.gz TWEFLZOALQTOIT-LJQANCHMSA-N 1 1 407.562 2.602 50 0 HFAAMO COC(=O)c1[nH]c2ccccc2c1NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000096562490 568760472 /nfs/dbraw/zinc/76/04/72/568760472.db2.gz KSRCIPBCFVZSBV-UHFFFAOYSA-N 1 1 406.486 2.711 50 0 HFAAMO C[NH+]1CCN(c2nc3c(c(=O)[nH]2)[C@H](c2ccc(Cl)cc2Cl)CC(=O)N3)CC1 ZINC000670416114 568767791 /nfs/dbraw/zinc/76/77/91/568767791.db2.gz MLEOJSMFFUTLPI-LBPRGKRZSA-N 1 1 408.289 2.715 50 0 HFAAMO Cc1nc(C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)nn1-c1ccc(Cl)cc1 ZINC000025408002 568768608 /nfs/dbraw/zinc/76/86/08/568768608.db2.gz CJUJCEVZQIUCQI-KBPBESRZSA-N 1 1 405.930 2.847 50 0 HFAAMO CC[N@H+](Cc1ccccc1)CC1=NC(=O)N[C@H](c2cccc(OC)c2)C1C(=O)OC ZINC000057414554 568833488 /nfs/dbraw/zinc/83/34/88/568833488.db2.gz ORDHDACPYQIEMT-OAQYLSRUSA-N 1 1 409.486 2.998 50 0 HFAAMO CC[N@@H+](Cc1ccccc1)CC1=NC(=O)N[C@H](c2cccc(OC)c2)C1C(=O)OC ZINC000057414554 568833489 /nfs/dbraw/zinc/83/34/89/568833489.db2.gz ORDHDACPYQIEMT-OAQYLSRUSA-N 1 1 409.486 2.998 50 0 HFAAMO CC[N@H+](Cc1ccccc1)CC1=C(C(=O)OC)[C@@H](c2cccc(OC)c2)NC(=O)N1 ZINC000057414554 568833491 /nfs/dbraw/zinc/83/34/91/568833491.db2.gz ORDHDACPYQIEMT-OAQYLSRUSA-N 1 1 409.486 2.998 50 0 HFAAMO CC[N@@H+](Cc1ccccc1)CC1=C(C(=O)OC)[C@@H](c2cccc(OC)c2)NC(=O)N1 ZINC000057414554 568833493 /nfs/dbraw/zinc/83/34/93/568833493.db2.gz ORDHDACPYQIEMT-OAQYLSRUSA-N 1 1 409.486 2.998 50 0 HFAAMO Cc1sc2ncn(CCC(=O)NC[C@H]3CCC[N@H+]4CCCC[C@@H]34)c(=O)c2c1C ZINC000230205743 568854854 /nfs/dbraw/zinc/85/48/54/568854854.db2.gz VIVLNZLLLPKUNC-SJORKVTESA-N 1 1 402.564 2.846 50 0 biogenic HFAAMO COC(=O)c1ccc(C[N@H+]2CC[C@H]3[C@H](CCCN3C(=O)c3cc(C)nn3C)C2)cc1 ZINC000299799252 568876516 /nfs/dbraw/zinc/87/65/16/568876516.db2.gz RRNAKGZILMCGQP-UXHICEINSA-N 1 1 410.518 2.642 50 0 HFAAMO C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000052804106 568879318 /nfs/dbraw/zinc/87/93/18/568879318.db2.gz SUIXVCYZXCAEKA-PMUMKWKESA-N 1 1 407.561 2.798 50 0 HFAAMO Cc1c2cc(Cl)ccc2sc1S(=O)(=O)NCCC[N@H+]1CCC[C@H](O)C1 ZINC000670438231 568883452 /nfs/dbraw/zinc/88/34/52/568883452.db2.gz WLHUUPFRESKHAL-AWEZNQCLSA-N 1 1 402.969 2.988 50 0 HFAAMO CN(C)S(=O)(=O)c1ccc(NC(=O)C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000003379878 568892256 /nfs/dbraw/zinc/89/22/56/568892256.db2.gz WIMJIADIZQNENK-UHFFFAOYSA-N 1 1 415.559 2.830 50 0 HFAAMO C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC000012755442 568942640 /nfs/dbraw/zinc/94/26/40/568942640.db2.gz LOHGMAWETSTUQG-KRWDZBQOSA-N 1 1 401.551 2.882 50 0 HFAAMO CCOc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2cccc(S(N)(=O)=O)c2)cc1 ZINC000015548288 568949020 /nfs/dbraw/zinc/94/90/20/568949020.db2.gz LVCIOSRNSSMZGX-IBGZPJMESA-N 1 1 403.504 2.508 50 0 HFAAMO CCOc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2cccc(S(N)(=O)=O)c2)cc1 ZINC000015548288 568949022 /nfs/dbraw/zinc/94/90/22/568949022.db2.gz LVCIOSRNSSMZGX-IBGZPJMESA-N 1 1 403.504 2.508 50 0 HFAAMO NC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3cc4ccccc4o3)C[C@@H]2c2ccco2)C1 ZINC000008133098 568976272 /nfs/dbraw/zinc/97/62/72/568976272.db2.gz GIAUZXRYCJMIFS-FUHWJXTLSA-N 1 1 420.469 2.901 50 0 HFAAMO NC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3cc4ccccc4o3)C[C@@H]2c2ccco2)C1 ZINC000008133098 568976274 /nfs/dbraw/zinc/97/62/74/568976274.db2.gz GIAUZXRYCJMIFS-FUHWJXTLSA-N 1 1 420.469 2.901 50 0 HFAAMO COc1ccc(NC(=O)C[NH+]2CCC(C(=O)Nc3cc(C)ns3)CC2)cc1OC ZINC000038581054 569002145 /nfs/dbraw/zinc/00/21/45/569002145.db2.gz BHTPMNOEVBKDGE-UHFFFAOYSA-N 1 1 418.519 2.758 50 0 HFAAMO O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)N[C@@H]1COc2ccccc2C1 ZINC000015787264 569007706 /nfs/dbraw/zinc/00/77/06/569007706.db2.gz RVIZXVQFEITBCS-IBGZPJMESA-N 1 1 412.509 2.641 50 0 HFAAMO O=C1NCCN1c1ccc(CN2CC[N@@H+](CCCc3ccccc3)[C@H](CCO)C2)cc1 ZINC000020207221 569007913 /nfs/dbraw/zinc/00/79/13/569007913.db2.gz RJDOYZNLSAFNHC-XMMPIXPASA-N 1 1 422.573 2.718 50 0 HFAAMO COc1cc(OC)c(OC)cc1CN1CC[N@H+](Cc2ccc(C)o2)[C@H](CCO)C1 ZINC000104319771 569008247 /nfs/dbraw/zinc/00/82/47/569008247.db2.gz DTLBIAJGKWMVLH-GOSISDBHSA-N 1 1 404.507 2.683 50 0 HFAAMO COc1cc(OC)c(OC)cc1CN1CC[N@@H+](Cc2ccc(C)o2)[C@H](CCO)C1 ZINC000104319771 569008248 /nfs/dbraw/zinc/00/82/48/569008248.db2.gz DTLBIAJGKWMVLH-GOSISDBHSA-N 1 1 404.507 2.683 50 0 HFAAMO COc1cccc(CN2CC[N@@H+](Cc3cccc(-n4cccn4)c3)C[C@H]2CCO)c1 ZINC000104512382 569008953 /nfs/dbraw/zinc/00/89/53/569008953.db2.gz PTEUXMGFGQKMQY-HSZRJFAPSA-N 1 1 406.530 2.950 50 0 HFAAMO COc1cccc(C[N@@H+]2CCN(Cc3cccc(-n4cccn4)c3)C[C@H]2CCO)c1 ZINC000104512382 569008955 /nfs/dbraw/zinc/00/89/55/569008955.db2.gz PTEUXMGFGQKMQY-HSZRJFAPSA-N 1 1 406.530 2.950 50 0 HFAAMO COc1cccc(C[N@H+]2CCN(Cc3cccc(-n4cccn4)c3)C[C@H]2CCO)c1 ZINC000104512382 569008956 /nfs/dbraw/zinc/00/89/56/569008956.db2.gz PTEUXMGFGQKMQY-HSZRJFAPSA-N 1 1 406.530 2.950 50 0 HFAAMO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC000012887742 569019636 /nfs/dbraw/zinc/01/96/36/569019636.db2.gz DNYREFLRGPWCJL-HNNXBMFYSA-N 1 1 423.941 2.555 50 0 HFAAMO Cc1ccc2c(c1C)NC(=O)[C@]21[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016032503 569027972 /nfs/dbraw/zinc/02/79/72/569027972.db2.gz SGNVRPAVEXMAJM-PBQROFAYSA-N 1 1 415.493 2.730 50 0 biogenic HFAAMO CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)NCc1ccccc1OC ZINC000035485157 569039669 /nfs/dbraw/zinc/03/96/69/569039669.db2.gz NYRGXQKQJYLSSV-BUKVSMQUSA-N 1 1 409.530 2.557 50 0 biogenic HFAAMO CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000035851824 569063015 /nfs/dbraw/zinc/06/30/15/569063015.db2.gz BUPCYOAOQQHOCU-MTXNFPGFSA-N 1 1 401.466 2.680 50 0 HFAAMO COCCNC(=O)[C@H]1Cc2ccccc2N2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@H]12 ZINC000035869945 569063975 /nfs/dbraw/zinc/06/39/75/569063975.db2.gz CLCKCIAJLHHRPT-RBBKRZOGSA-N 1 1 413.949 2.966 50 0 HFAAMO CC(C)C[C@H](NC(=O)[C@H]1Cc2ccccc2C[NH2+]1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000035876460 569064283 /nfs/dbraw/zinc/06/42/83/569064283.db2.gz USRGOPGKTINNHO-UXHICEINSA-N 1 1 423.513 2.642 50 0 HFAAMO Cn1c2c(C(=O)NC3CCCCC3)cnn2c(=O)c2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000064836072 569104485 /nfs/dbraw/zinc/10/44/85/569104485.db2.gz YJXYQULUTURXKJ-UHFFFAOYSA-N 1 1 419.529 2.654 50 0 HFAAMO COc1ccc(C2=NN(C(=O)CN3CC[NH+](C)CC3)[C@@H](c3cccc(F)c3)C2)cc1 ZINC000036344733 569142850 /nfs/dbraw/zinc/14/28/50/569142850.db2.gz YODNUETVUDMXBX-JOCHJYFZSA-N 1 1 410.493 2.759 50 0 HFAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc(-c2ccc(N3CCCCC3)nn2)cc1 ZINC000064989204 569145904 /nfs/dbraw/zinc/14/59/04/569145904.db2.gz RCKBDHSEKDGIPD-UHFFFAOYSA-N 1 1 409.534 2.586 50 0 HFAAMO CC(C)C[NH+]1CCN(C(=O)c2nc(-c3ccnc(N4CCCCCC4)c3)no2)CC1 ZINC000065246077 569205419 /nfs/dbraw/zinc/20/54/19/569205419.db2.gz NKKJTQBUMVSTPY-UHFFFAOYSA-N 1 1 412.538 2.926 50 0 HFAAMO COCCN(C[C@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)COc1ccc2c(c1)OCO2 ZINC000524731162 569212195 /nfs/dbraw/zinc/21/21/95/569212195.db2.gz LWAVVWPOTCJCEN-IEBWSBKVSA-N 1 1 404.507 2.534 50 0 biogenic HFAAMO O[C@H](COc1ccc(F)cc1)C[NH+]1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000065682472 569242715 /nfs/dbraw/zinc/24/27/15/569242715.db2.gz LDZANDOJTLTUFA-IBGZPJMESA-N 1 1 418.900 2.684 50 0 HFAAMO O=C(c1ccc2c(c1)OCCO2)C1CC[NH+](Cc2cc(=O)n3ccccc3n2)CC1 ZINC000014329097 569259450 /nfs/dbraw/zinc/25/94/50/569259450.db2.gz ONSKFTHYRTYTQX-UHFFFAOYSA-N 1 1 405.454 2.561 50 0 HFAAMO C[C@H](CC(C)(C)c1ccccc1)NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000089894800 569267841 /nfs/dbraw/zinc/26/78/41/569267841.db2.gz FKCNPYGILXNJTE-TZIWHRDSSA-N 1 1 415.578 2.572 50 0 HFAAMO CC[C@H]1CN(C(=O)Nc2ccc(OC)c(N3CCCCC3=O)c2)CC[N@H+]1C[C@@H](C)O ZINC000089949210 569269768 /nfs/dbraw/zinc/26/97/68/569269768.db2.gz HDSOXDPYPAULHB-AEFFLSMTSA-N 1 1 418.538 2.521 50 0 HFAAMO Cc1nc2nc(C[NH3+])nn2c(C)c1CCC(=O)Nc1ccc(Br)cc1F ZINC000009407425 569285038 /nfs/dbraw/zinc/28/50/38/569285038.db2.gz BVGYIAUWBBTOPV-UHFFFAOYSA-N 1 1 421.274 2.673 50 0 HFAAMO COc1ccc(COC[C@H](O)C[N@H+]2CCN(C)C[C@H]2c2ccccc2)cc1OC ZINC000253370805 569364691 /nfs/dbraw/zinc/36/46/91/569364691.db2.gz WOAXSUWVDASJRO-RTWAWAEBSA-N 1 1 400.519 2.570 50 0 HFAAMO COc1ccc(COC[C@H](O)CN2CC[N@H+](C)C[C@H]2c2ccccc2)cc1OC ZINC000253370805 569364692 /nfs/dbraw/zinc/36/46/92/569364692.db2.gz WOAXSUWVDASJRO-RTWAWAEBSA-N 1 1 400.519 2.570 50 0 HFAAMO COc1ccc(COC[C@H](O)CN2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1OC ZINC000253370805 569364694 /nfs/dbraw/zinc/36/46/94/569364694.db2.gz WOAXSUWVDASJRO-RTWAWAEBSA-N 1 1 400.519 2.570 50 0 HFAAMO CCOC(=O)c1c(NC(=O)C[N@@H+]2CCCC[C@@H]2CCO)c2cc(OC)ccc2n1C ZINC000002408648 569396347 /nfs/dbraw/zinc/39/63/47/569396347.db2.gz UVSIRHAPKJJXPK-OAHLLOKOSA-N 1 1 417.506 2.539 50 0 HFAAMO CCOC(=O)c1c(NC(=O)C[N@H+]2CCCC[C@@H]2CCO)c2cc(OC)ccc2n1C ZINC000002408648 569396348 /nfs/dbraw/zinc/39/63/48/569396348.db2.gz UVSIRHAPKJJXPK-OAHLLOKOSA-N 1 1 417.506 2.539 50 0 HFAAMO Cc1cc(=O)c(C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)nn1-c1cccc(C(F)(F)F)c1 ZINC000079057441 569426050 /nfs/dbraw/zinc/42/60/50/569426050.db2.gz VPCSRBPMWHSJJO-WFASDCNBSA-N 1 1 420.435 2.915 50 0 HFAAMO O=c1ccc(-c2cccs2)nn1CN1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000079483743 569432000 /nfs/dbraw/zinc/43/20/00/569432000.db2.gz REEXDHFNMPPMFV-UHFFFAOYSA-N 1 1 414.506 2.765 50 0 HFAAMO O=C(C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)N1CCN(c2ncccn2)CC1 ZINC000008709260 571104490 /nfs/dbraw/zinc/10/44/90/571104490.db2.gz WLUYEJMMZJIOOH-QGZVFWFLSA-N 1 1 422.558 2.615 50 0 HFAAMO Cc1ccc(C[N@H+]2CCCN(C(=O)CSc3nnnn3C3CCCC3)CC2)cc1 ZINC000040087011 571157613 /nfs/dbraw/zinc/15/76/13/571157613.db2.gz WCIBIHYPFVAZFN-UHFFFAOYSA-N 1 1 414.579 2.923 50 0 HFAAMO CCN1CC[NH+](Cc2ccccc2CNC(=O)CSCc2c(C)noc2C)CC1 ZINC000040089839 571159785 /nfs/dbraw/zinc/15/97/85/571159785.db2.gz YPGJBPMYIRFGKO-UHFFFAOYSA-N 1 1 416.591 2.979 50 0 HFAAMO CC(C)[C@H](CNC(=O)c1ccccc1SC[C@@H]1CCCO1)N1CC[NH+](C)CC1 ZINC000040092522 571161509 /nfs/dbraw/zinc/16/15/09/571161509.db2.gz SUCZNMDOZTWQSD-ICSRJNTNSA-N 1 1 405.608 2.960 50 0 HFAAMO Cc1nc(C)c(CC(=O)NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)c(=O)[nH]1 ZINC000040112637 571170825 /nfs/dbraw/zinc/17/08/25/571170825.db2.gz PZGVALAMUQMBKH-HXUWFJFHSA-N 1 1 422.554 2.907 50 0 HFAAMO Cc1nc(C)c(CC(=O)NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)c(=O)[nH]1 ZINC000040112637 571170828 /nfs/dbraw/zinc/17/08/28/571170828.db2.gz PZGVALAMUQMBKH-HXUWFJFHSA-N 1 1 422.554 2.907 50 0 HFAAMO CCCC[C@@H]1CN(CC(=O)NC[C@H]2CC[N@@H+](CCOC)C2)Cc2ccccc2O1 ZINC000244758091 571206922 /nfs/dbraw/zinc/20/69/22/571206922.db2.gz OSFLDXAZVINGPV-TZIWHRDSSA-N 1 1 403.567 2.524 50 0 HFAAMO O=C(C[NH+]1CCC(C(=O)NCc2ccc3c(c2)OCO3)CC1)Nc1ccc(F)cc1 ZINC000009067918 571218279 /nfs/dbraw/zinc/21/82/79/571218279.db2.gz APEZGDYAAXMXQB-UHFFFAOYSA-N 1 1 413.449 2.521 50 0 HFAAMO Cc1c(C(=O)N2CCOCC2)nnn1-c1cccc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000069878040 571248073 /nfs/dbraw/zinc/24/80/73/571248073.db2.gz UPVVFKFKDMFSQB-UHFFFAOYSA-N 1 1 417.513 2.606 50 0 HFAAMO O=C([C@H]1CCS(=O)(=O)C1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000071841835 571302971 /nfs/dbraw/zinc/30/29/71/571302971.db2.gz AVMXSSMZLDZDMH-HNNXBMFYSA-N 1 1 419.374 2.853 50 0 HFAAMO COc1ccccc1N1CCN(CC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)CC1 ZINC000012588256 132364696 /nfs/dbraw/zinc/36/46/96/132364696.db2.gz YURUCGSYBWWHCG-OAQYLSRUSA-N 1 1 422.573 2.723 50 0 HFAAMO CC(C)C[C@H](CNC(=O)Nc1cc2c(cc1Cl)NC(=O)CO2)[NH+]1CCOCC1 ZINC000044271232 519349551 /nfs/dbraw/zinc/34/95/51/519349551.db2.gz XCBABXZLWQXBBO-CYBMUJFWSA-N 1 1 410.902 2.539 50 0 HFAAMO CCCS(=O)(=O)Nc1cccc(C(=O)NC[C@H](c2ccccc2OC)[NH+](C)C)c1 ZINC000032695438 520539685 /nfs/dbraw/zinc/53/96/85/520539685.db2.gz ILLGYTDKQPPWBL-LJQANCHMSA-N 1 1 419.547 2.880 50 0 HFAAMO COc1ccc(-c2noc(-c3ccc(OCC(=O)N4CC[NH+](C)CC4)cc3)n2)cc1 ZINC000032579110 523276760 /nfs/dbraw/zinc/27/67/60/523276760.db2.gz KCAVUUXJSITDLL-UHFFFAOYSA-N 1 1 408.458 2.565 50 0 HFAAMO COc1ccc(Br)cc1S(=O)(=O)NCCC[N@H+]1CCC[C@@H](C)C1 ZINC000045744839 523506985 /nfs/dbraw/zinc/50/69/85/523506985.db2.gz RSDJLFMZGVKTPB-CYBMUJFWSA-N 1 1 405.358 2.858 50 0 HFAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)C1 ZINC000048353751 525385146 /nfs/dbraw/zinc/38/51/46/525385146.db2.gz OYHFMODSIJTTHP-VVIORFSUSA-N 1 1 423.557 2.732 50 0 HFAAMO Cc1cc(C(=O)N2CCC[C@H](CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)[nH]n1 ZINC000020537471 526249840 /nfs/dbraw/zinc/24/98/40/526249840.db2.gz KBDXJIPKGQHJAS-OAQYLSRUSA-N 1 1 423.561 2.695 50 0 HFAAMO Cc1ccc(C(N)=O)c(OCC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)c1 ZINC000032789237 526252325 /nfs/dbraw/zinc/25/23/25/526252325.db2.gz JQFSHWCWUOUYID-UHFFFAOYSA-N 1 1 417.509 2.970 50 0 HFAAMO Cc1nn(-c2ccc(F)cc2)c(-n2cccc2)c1C(=O)NCCC[NH+]1CCOCC1 ZINC000020559414 527526665 /nfs/dbraw/zinc/52/66/65/527526665.db2.gz QMELERLTKQRWNJ-UHFFFAOYSA-N 1 1 411.481 2.563 50 0 HFAAMO CC1CCN(c2ccc(NC(=O)C3CC[NH+]([C@H]4CCS(=O)(=O)C4)CC3)cc2)CC1 ZINC000012554771 535285780 /nfs/dbraw/zinc/28/57/80/535285780.db2.gz YCTQEORPZFTCRG-NRFANRHFSA-N 1 1 419.591 2.761 50 0 HFAAMO O=C(c1cnn2c1nc(-c1ccco1)cc2C(F)(F)F)N1CC[N@H+]2CCC[C@H]2C1 ZINC000002771122 557760402 /nfs/dbraw/zinc/76/04/02/557760402.db2.gz AXLNGJKWOCQWFB-LBPRGKRZSA-N 1 1 405.380 2.928 50 0 HFAAMO O=C(NCCC[N@@H+]1CCCC[C@@H]1CO)c1cc(COc2ccc3ncccc3c2)on1 ZINC000011668042 558269862 /nfs/dbraw/zinc/26/98/62/558269862.db2.gz PUPQCGIIOQSRRZ-GOSISDBHSA-N 1 1 424.501 2.769 50 0 HFAAMO COc1ccc([C@@H]2[C@@H]3CCc4ccccc4C3=NN2C(=O)CN2CC[NH+](C)CC2)cc1 ZINC000019835231 558292544 /nfs/dbraw/zinc/29/25/44/558292544.db2.gz UJVVWGZXMYDGMZ-RCZVLFRGSA-N 1 1 418.541 2.793 50 0 HFAAMO OCCOc1ccc(C[N@H+]2CCC[C@H](N3CCN(c4ccc(F)cc4)CC3)C2)cc1 ZINC000019836070 558292775 /nfs/dbraw/zinc/29/27/75/558292775.db2.gz SMIBBZBHIXASRZ-QHCPKHFHSA-N 1 1 413.537 2.983 50 0 HFAAMO OCCOc1ccc(CN2CCC[C@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2)cc1 ZINC000019836070 558292777 /nfs/dbraw/zinc/29/27/77/558292777.db2.gz SMIBBZBHIXASRZ-QHCPKHFHSA-N 1 1 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HRMJYJMNKHXHPI-UHFFFAOYSA-N 1 1 416.525 2.953 50 0 HFAAMO Cc1cc2c(cc3c(=O)n(CCCC(=O)NCC[N@@H+]4CCCC[C@H]4C)nc(C)n23)o1 ZINC000020862240 568646129 /nfs/dbraw/zinc/64/61/29/568646129.db2.gz MGCUVPCBRDGHSE-OAHLLOKOSA-N 1 1 413.522 2.630 50 0 HFAAMO Cc1nn(CCCC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)c(=O)c2cc3occc3n21 ZINC000020866549 568646713 /nfs/dbraw/zinc/64/67/13/568646713.db2.gz AHMJQQURKYNGRD-INIZCTEOSA-N 1 1 413.522 2.712 50 0 HFAAMO CC(=O)N1C[C@@H](C)Sc2ccc(S(=O)(=O)N3CC[NH+](C4CCCC4)CC3)cc21 ZINC000020904555 568650857 /nfs/dbraw/zinc/65/08/57/568650857.db2.gz VIINSMBDDRQUKA-OAHLLOKOSA-N 1 1 423.604 2.783 50 0 HFAAMO CCOC(=O)c1noc2ncnc(Nc3ccc(C[NH+]4CCN(CC)CC4)cc3)c12 ZINC000020992328 568655963 /nfs/dbraw/zinc/65/59/63/568655963.db2.gz LQJQYUFTCPIHOF-UHFFFAOYSA-N 1 1 410.478 2.676 50 0 HFAAMO O=C1C[C@H](c2nc3ccccc3n2CC[NH+]2CCOCC2)CN1Cc1cccs1 ZINC000021172129 568676459 /nfs/dbraw/zinc/67/64/59/568676459.db2.gz IXBLRNVSZGOEIJ-KRWDZBQOSA-N 1 1 410.543 2.946 50 0 HFAAMO O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000225827354 568678353 /nfs/dbraw/zinc/67/83/53/568678353.db2.gz ZDWAIQFVARNWRI-YADARESESA-N 1 1 421.497 2.507 50 0 HFAAMO Cc1nc2ccccn2c(=O)c1CC[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000225846626 568680009 /nfs/dbraw/zinc/68/00/09/568680009.db2.gz MBWMPEIQUJKFIA-GOSISDBHSA-N 1 1 406.534 2.743 50 0 HFAAMO CCOC(=O)[C@@H]1[C@H](C[NH2+][C@H](c2nccn2C)c2cc(OC)cc(OC)c2)C1(C)C ZINC000096009248 568683824 /nfs/dbraw/zinc/68/38/24/568683824.db2.gz NQTKECHZWBRCNF-FHWLQOOXSA-N 1 1 401.507 2.952 50 0 HFAAMO Cc1ccc(-c2ccc(=O)n(CC(=O)N3CC[NH+](Cc4ccccc4)CC3)n2)cc1 ZINC000021324165 568687568 /nfs/dbraw/zinc/68/75/68/568687568.db2.gz AYSZEIHIENVMIP-UHFFFAOYSA-N 1 1 402.498 2.563 50 0 HFAAMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)C[C@H](C)O1 ZINC000229718258 568714915 /nfs/dbraw/zinc/71/49/15/568714915.db2.gz CDZJPQDNQHEVBY-XHSDSOJGSA-N 1 1 407.942 2.697 50 0 HFAAMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)C[C@H](C)O1 ZINC000229718258 568714917 /nfs/dbraw/zinc/71/49/17/568714917.db2.gz CDZJPQDNQHEVBY-XHSDSOJGSA-N 1 1 407.942 2.697 50 0 HFAAMO CCOC(=O)C1C(C[N@@H+]2C[C@H](C)C[C@H](C)C2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000018708784 568738797 /nfs/dbraw/zinc/73/87/97/568738797.db2.gz LZBGTMPVXFKPEY-QEEYODRMSA-N 1 1 401.507 2.844 50 0 HFAAMO CCOC(=O)C1=C(C[N@H+]2C[C@H](C)C[C@H](C)C2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000018708784 568738799 /nfs/dbraw/zinc/73/87/99/568738799.db2.gz LZBGTMPVXFKPEY-QEEYODRMSA-N 1 1 401.507 2.844 50 0 HFAAMO CCOC(=O)C1=C(C[N@@H+]2C[C@H](C)C[C@H](C)C2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000018708784 568738801 /nfs/dbraw/zinc/73/88/01/568738801.db2.gz LZBGTMPVXFKPEY-QEEYODRMSA-N 1 1 401.507 2.844 50 0 HFAAMO CC[NH+]1CCN([C@H](c2cccs2)[C@H](C)NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000022460462 568768549 /nfs/dbraw/zinc/76/85/49/568768549.db2.gz HVWZGNWVOSXDQT-KXBFYZLASA-N 1 1 411.568 2.933 50 0 HFAAMO O=C(c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000002755752 568806743 /nfs/dbraw/zinc/80/67/43/568806743.db2.gz JAYCCZFGDAGENU-GFCCVEGCSA-N 1 1 405.380 2.928 50 0 HFAAMO COc1cc(NC(=O)NCC[NH+]2CCN(c3ccccc3)CC2)cc(OC)c1OC ZINC000056997505 568822650 /nfs/dbraw/zinc/82/26/50/568822650.db2.gz LJUGIAPZPKCGPT-UHFFFAOYSA-N 1 1 414.506 2.656 50 0 HFAAMO CC[N@H+](Cc1ccccc1)CC1=NC(=O)N[C@@H](c2ccc(OC)cc2)C1C(=O)OC ZINC000057414814 568833595 /nfs/dbraw/zinc/83/35/95/568833595.db2.gz IWQKVWMVLSNGKY-NRFANRHFSA-N 1 1 409.486 2.998 50 0 HFAAMO CC[N@@H+](Cc1ccccc1)CC1=NC(=O)N[C@@H](c2ccc(OC)cc2)C1C(=O)OC ZINC000057414814 568833597 /nfs/dbraw/zinc/83/35/97/568833597.db2.gz IWQKVWMVLSNGKY-NRFANRHFSA-N 1 1 409.486 2.998 50 0 HFAAMO CC(C)Oc1ccc2nnc(CCCC(=O)NC[C@H]3CCC[N@H+]4CCCC[C@@H]34)n2n1 ZINC000230204196 568854971 /nfs/dbraw/zinc/85/49/71/568854971.db2.gz UTZHZDDMODZSPY-MSOLQXFVSA-N 1 1 414.554 2.615 50 0 biogenic HFAAMO CC[NH+]1CCN(C(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3C)c2)CC1 ZINC000003211831 568862134 /nfs/dbraw/zinc/86/21/34/568862134.db2.gz WZEKTYWKHUVQKW-UHFFFAOYSA-N 1 1 401.532 2.882 50 0 HFAAMO COC(=O)c1sccc1S(=O)(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000030372485 568862719 /nfs/dbraw/zinc/86/27/19/568862719.db2.gz DGRCRVDTCQRTNU-UHFFFAOYSA-N 1 1 408.545 2.740 50 0 HFAAMO COC(=O)c1sccc1S(=O)(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000030372485 568862721 /nfs/dbraw/zinc/86/27/21/568862721.db2.gz DGRCRVDTCQRTNU-UHFFFAOYSA-N 1 1 408.545 2.740 50 0 HFAAMO CCn1c2ccccc2n(CC(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)c1=O ZINC000012731723 568922726 /nfs/dbraw/zinc/92/27/26/568922726.db2.gz WNQOVKGXWADLAD-IBGZPJMESA-N 1 1 400.910 2.895 50 0 HFAAMO CC[NH+](CC)[C@@H](C)CNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2OC)c1 ZINC000031825403 568933177 /nfs/dbraw/zinc/93/31/77/568933177.db2.gz PFDHHMIOAWDNRA-INIZCTEOSA-N 1 1 419.547 2.956 50 0 HFAAMO COC(=O)C1CCN(Cc2cccc(OC[C@@H](O)C[NH+]3CCCCCC3)c2)CC1 ZINC000012753881 568942106 /nfs/dbraw/zinc/94/21/06/568942106.db2.gz UBCKQMQHEIVFJH-NRFANRHFSA-N 1 1 404.551 2.687 50 0 HFAAMO O=C(CCc1nc2ccccc2[nH]c1=O)N[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000670461977 568953120 /nfs/dbraw/zinc/95/31/20/568953120.db2.gz WEFDAVDIEDFGFY-KRWDZBQOSA-N 1 1 408.477 2.776 50 0 HFAAMO O=C(CCc1nc2ccccc2[nH]c1=O)N[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000670461977 568953121 /nfs/dbraw/zinc/95/31/21/568953121.db2.gz WEFDAVDIEDFGFY-KRWDZBQOSA-N 1 1 408.477 2.776 50 0 HFAAMO Cc1cccc(N2CC[NH+](CCNC(=O)N[C@@H]3COc4ccccc4C3)CC2)c1C ZINC000015787314 569007896 /nfs/dbraw/zinc/00/78/96/569007896.db2.gz WYOYGXZKUGPVQZ-NRFANRHFSA-N 1 1 408.546 2.728 50 0 HFAAMO Cc1cccc(C[N@@H+]2CCN(Cc3cnn(-c4ccccc4F)c3)C[C@H]2CCO)n1 ZINC000104333486 569008290 /nfs/dbraw/zinc/00/82/90/569008290.db2.gz OLCJOYWUQBVCLB-OAQYLSRUSA-N 1 1 409.509 2.784 50 0 HFAAMO Cc1cccc(C[N@H+]2CCN(Cc3cnn(-c4ccccc4F)c3)C[C@H]2CCO)n1 ZINC000104333486 569008291 /nfs/dbraw/zinc/00/82/91/569008291.db2.gz OLCJOYWUQBVCLB-OAQYLSRUSA-N 1 1 409.509 2.784 50 0 HFAAMO CC(C)[NH+]1CCC(N2CCN(Cc3ccc(-n4cccn4)cc3)C[C@H]2CCO)CC1 ZINC000104322767 569008383 /nfs/dbraw/zinc/00/83/83/569008383.db2.gz WBZPKMDWPKCNFW-XMMPIXPASA-N 1 1 411.594 2.614 50 0 HFAAMO CCOc1ccccc1CN1CC[N@H+](Cc2cccc(OCCO)c2)C[C@H]1CCO ZINC000107100506 569009200 /nfs/dbraw/zinc/00/92/00/569009200.db2.gz FDSIPWSRTHPFSR-JOCHJYFZSA-N 1 1 414.546 2.525 50 0 HFAAMO CCOc1ccccc1CN1CC[N@@H+](Cc2cccc(OCCO)c2)C[C@H]1CCO ZINC000107100506 569009201 /nfs/dbraw/zinc/00/92/01/569009201.db2.gz FDSIPWSRTHPFSR-JOCHJYFZSA-N 1 1 414.546 2.525 50 0 HFAAMO CCOc1ccccc1C[N@@H+]1CCN(Cc2cccc(OCCO)c2)C[C@H]1CCO ZINC000107100506 569009202 /nfs/dbraw/zinc/00/92/02/569009202.db2.gz FDSIPWSRTHPFSR-JOCHJYFZSA-N 1 1 414.546 2.525 50 0 HFAAMO CCOc1ccccc1C[N@H+]1CCN(Cc2cccc(OCCO)c2)C[C@H]1CCO ZINC000107100506 569009203 /nfs/dbraw/zinc/00/92/03/569009203.db2.gz FDSIPWSRTHPFSR-JOCHJYFZSA-N 1 1 414.546 2.525 50 0 HFAAMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000015954315 569024545 /nfs/dbraw/zinc/02/45/45/569024545.db2.gz XMHASTDXUCNSKX-UAKAABGRSA-N 1 1 401.466 2.735 50 0 biogenic HFAAMO CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3ccccc3F)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000015999113 569025479 /nfs/dbraw/zinc/02/54/79/569025479.db2.gz MEEKKTRFOXYBCC-CMCWBKRRSA-N 1 1 419.456 2.671 50 0 HFAAMO CC[C@H](C)[C@@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000016033907 569027942 /nfs/dbraw/zinc/02/79/42/569027942.db2.gz OKWVSEAJCQWYPN-WQFQCULDSA-N 1 1 423.513 2.642 50 0 HFAAMO C[N@H+]1CCN(CCNC(=O)Cc2cnn(-c3ccccc3)c2)[C@@H](c2ccccc2)C1 ZINC000026156285 569035916 /nfs/dbraw/zinc/03/59/16/569035916.db2.gz UIDDPIOPFZAQNE-HSZRJFAPSA-N 1 1 403.530 2.520 50 0 HFAAMO Cc1nc2c(c(=O)n1CC(=O)Nc1ccccc1F)CC[N@H+](Cc1ccccc1)C2 ZINC000035455981 569037893 /nfs/dbraw/zinc/03/78/93/569037893.db2.gz MKIIXAJASWLUEY-UHFFFAOYSA-N 1 1 406.461 2.888 50 0 HFAAMO Cc1nc2c(c(=O)n1CC(=O)Nc1ccccc1F)CC[N@@H+](Cc1ccccc1)C2 ZINC000035455981 569037894 /nfs/dbraw/zinc/03/78/94/569037894.db2.gz MKIIXAJASWLUEY-UHFFFAOYSA-N 1 1 406.461 2.888 50 0 HFAAMO O=C(CC1CCN(C(=O)Nc2cccc(Cl)c2)CC1)NCCC[NH+]1CCOCC1 ZINC000035528850 569044102 /nfs/dbraw/zinc/04/41/02/569044102.db2.gz HFOSLEJODLZHRB-UHFFFAOYSA-N 1 1 422.957 2.813 50 0 HFAAMO Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@H+]4[C@]4(c5cc(C)ccc5NC4=O)[C@H]3C2=O)cc1 ZINC000245242220 569055289 /nfs/dbraw/zinc/05/52/89/569055289.db2.gz KHJADHKTWFJFGG-UECWXEIQSA-N 1 1 401.466 2.735 50 0 HFAAMO CNC(=O)NC(=O)CN1CC[NH+](Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000089391569 569059177 /nfs/dbraw/zinc/05/91/77/569059177.db2.gz WZQSZQJGINKYKA-UHFFFAOYSA-N 1 1 406.939 2.642 50 0 HFAAMO CC(C)C[C@@H](NC(=O)[C@H]1Cc2ccccc2C[NH2+]1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000035876463 569064276 /nfs/dbraw/zinc/06/42/76/569064276.db2.gz USRGOPGKTINNHO-WOJBJXKFSA-N 1 1 423.513 2.642 50 0 HFAAMO COc1ccc(C[N@@H+](C[C@H](O)COCc2ccco2)C[C@@H]2CCCO2)cc1OC ZINC000036096059 569090249 /nfs/dbraw/zinc/09/02/49/569090249.db2.gz UROMPUZNUDCWCU-OALUTQOASA-N 1 1 405.491 2.856 50 0 HFAAMO COc1ccc(OC[C@H](O)C[N@@H+](CCN2CCOCC2)Cc2ccccc2C)cc1 ZINC000036104383 569092370 /nfs/dbraw/zinc/09/23/70/569092370.db2.gz OZOPOBLTFPQHJO-JOCHJYFZSA-N 1 1 414.546 2.578 50 0 HFAAMO COc1ccc(NC(=O)N2CC[NH+]([C@@H](C(=O)NC(C)C)C3CCCC3)CC2)cc1 ZINC000036310423 569131655 /nfs/dbraw/zinc/13/16/55/569131655.db2.gz RWWOOVMTUWSEGG-HXUWFJFHSA-N 1 1 402.539 2.928 50 0 HFAAMO Cc1ccc(NC(=O)N2CC[NH+]([C@@H](C(=O)N3CCOCC3)C3CCCC3)CC2)cc1 ZINC000036310725 569131921 /nfs/dbraw/zinc/13/19/21/569131921.db2.gz GISWCYXOXGQFRV-OAQYLSRUSA-N 1 1 414.550 2.562 50 0 HFAAMO CCOC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2F)noc1N1CCOCC1)C1CC1 ZINC000036313389 569133566 /nfs/dbraw/zinc/13/35/66/569133566.db2.gz CNAJVUSMIWGXLL-KRWDZBQOSA-N 1 1 419.497 2.679 50 0 HFAAMO CCOC(=O)c1ccc(S(=O)(=O)NCCC[N@@H+](C)C(C)C)c(Br)c1 ZINC000036393506 569168040 /nfs/dbraw/zinc/16/80/40/569168040.db2.gz WWOGBHIHWQTGGP-UHFFFAOYSA-N 1 1 421.357 2.634 50 0 HFAAMO COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[NH+]1CCCCCC1 ZINC000006882061 569168190 /nfs/dbraw/zinc/16/81/90/569168190.db2.gz PKXNBEQOFZEWPK-UHFFFAOYSA-N 1 1 409.552 2.684 50 0 HFAAMO COc1ccc(COC[C@@H](O)C[N@@H+](C)Cc2ccc(OC)c(OC)c2)cc1OC ZINC000006936805 569185160 /nfs/dbraw/zinc/18/51/60/569185160.db2.gz RZZAXLRVMLRAID-SFHVURJKSA-N 1 1 405.491 2.731 50 0 HFAAMO C[NH+]1CCN(C(=O)c2ccc(-c3nnc4ccc(NC(=O)C5CCC5)cn43)cc2)CC1 ZINC000065209861 569196563 /nfs/dbraw/zinc/19/65/63/569196563.db2.gz ODQATDMONCVGAF-UHFFFAOYSA-N 1 1 418.501 2.523 50 0 HFAAMO COCCCN(C[C@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)COc1ccc2c(c1)OCO2 ZINC000524731128 569212224 /nfs/dbraw/zinc/21/22/24/569212224.db2.gz KWYYKALNXIXNJL-UYAOXDASSA-N 1 1 418.534 2.924 50 0 biogenic HFAAMO COc1ccc(CN2CCC[N@H+](C[C@@H](O)COc3cccc4[nH]ccc43)CC2=O)cc1 ZINC000170597073 569241991 /nfs/dbraw/zinc/24/19/91/569241991.db2.gz NRVFHTDZDFSOPV-LJQANCHMSA-N 1 1 423.513 2.651 50 0 HFAAMO COc1ccc(CN2CCC[N@@H+](C[C@@H](O)COc3cccc4[nH]ccc43)CC2=O)cc1 ZINC000170597073 569241993 /nfs/dbraw/zinc/24/19/93/569241993.db2.gz NRVFHTDZDFSOPV-LJQANCHMSA-N 1 1 423.513 2.651 50 0 HFAAMO Cc1cccc(NC(=O)N2CCC(C(=O)N3CC[N@@H+](CC(C)(C)O)[C@H](C)C3)CC2)c1 ZINC000170602676 569243771 /nfs/dbraw/zinc/24/37/71/569243771.db2.gz DVXDRHZJOJMVSH-GOSISDBHSA-N 1 1 416.566 2.543 50 0 HFAAMO Cc1ccc(NC(=O)CN(C)CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000007676589 569300179 /nfs/dbraw/zinc/30/01/79/569300179.db2.gz PRJDMOMVOWMNCK-UHFFFAOYSA-N 1 1 408.546 2.518 50 0 HFAAMO CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[N@H+]2CCc3ccccc3C2)c1 ZINC000007782601 569310189 /nfs/dbraw/zinc/31/01/89/569310189.db2.gz WCMBEJXBGMIQBS-UHFFFAOYSA-N 1 1 421.950 2.977 50 0 HFAAMO CC(C)C[NH+]1CCN([C@H]2CCOC3(CCN(C(=O)c4cccnc4)CC3)C2)CC1 ZINC000581819836 569321007 /nfs/dbraw/zinc/32/10/07/569321007.db2.gz NVUZSKTYSDFLGR-NRFANRHFSA-N 1 1 400.567 2.509 50 0 HFAAMO NC(=O)C[C@@H](c1ccc2ncccc2c1)c1oc(C[NH+]2CCCCC2)cc(=O)c1O ZINC000253394630 569365187 /nfs/dbraw/zinc/36/51/87/569365187.db2.gz AETXLWVGSXFUOM-SFHVURJKSA-N 1 1 407.470 2.887 50 0 biogenic HFAAMO C[C@H](CNC(=O)C[C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1)C[NH+]1CCOCC1 ZINC000253428361 569368609 /nfs/dbraw/zinc/36/86/09/569368609.db2.gz CWWVGQXXOAFQRQ-MSOLQXFVSA-N 1 1 411.587 2.744 50 0 HFAAMO CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccccc2C[NH2+]1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000253487708 569381814 /nfs/dbraw/zinc/38/18/14/569381814.db2.gz OKWVSEAJCQWYPN-LYLBAIIYSA-N 1 1 423.513 2.642 50 0 HFAAMO CC[NH+]1CCN(C(=O)c2cccc(NC(=O)[C@H]3CC(=O)OC34CCCCC4)c2)CC1 ZINC000027739710 569392344 /nfs/dbraw/zinc/39/23/44/569392344.db2.gz XYLOEQDZYOQREV-LJQANCHMSA-N 1 1 413.518 2.669 50 0 HFAAMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000078870159 569421105 /nfs/dbraw/zinc/42/11/05/569421105.db2.gz RCJZEOFAUUSDOA-KYJSFNMBSA-N 1 1 411.468 2.853 50 0 HFAAMO CCN(C(=O)CNc1ccccc1C[N@@H+](C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000078958440 569422122 /nfs/dbraw/zinc/42/21/22/569422122.db2.gz KFQXMIMGIUFXQV-FQEVSTJZSA-N 1 1 421.607 2.899 50 0 HFAAMO COc1ccc2[nH]c(C)c(C[NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)c(=O)c2c1 ZINC000019793713 569430049 /nfs/dbraw/zinc/43/00/49/569430049.db2.gz LBWHCFYQRSMTBD-UHFFFAOYSA-N 1 1 421.497 2.892 50 0 HFAAMO CCc1ccc([C@H]([NH2+]CC(=O)N[C@@]2(C)CCS(=O)(=O)C2)c2cccs2)cc1 ZINC000039990640 571136680 /nfs/dbraw/zinc/13/66/80/571136680.db2.gz IARVFUSYEOHEJQ-PMACEKPBSA-N 1 1 406.573 2.683 50 0 HFAAMO C[N@H+]1CCCN(c2ccc(NC(=O)CCN3C(=O)c4ccccc4C3=O)cc2F)CC1 ZINC000040145539 571195835 /nfs/dbraw/zinc/19/58/35/571195835.db2.gz GEPMKRRWQWHDPK-UHFFFAOYSA-N 1 1 424.476 2.592 50 0 HFAAMO CN1CC[N@@H+](CCCNC(=O)CCCNC(=O)c2ccccc2)[C@H](c2ccccc2)C1 ZINC000070012543 571254208 /nfs/dbraw/zinc/25/42/08/571254208.db2.gz LZRJOVREYKCMMD-QHCPKHFHSA-N 1 1 422.573 2.692 50 0 HFAAMO C[N@@H+]1CCN(CCCNC(=O)CCCNC(=O)c2ccccc2)[C@H](c2ccccc2)C1 ZINC000070012543 571254209 /nfs/dbraw/zinc/25/42/09/571254209.db2.gz LZRJOVREYKCMMD-QHCPKHFHSA-N 1 1 422.573 2.692 50 0 HFAAMO C[N@H+]1CCN(CCCNC(=O)CCCNC(=O)c2ccccc2)[C@H](c2ccccc2)C1 ZINC000070012543 571254210 /nfs/dbraw/zinc/25/42/10/571254210.db2.gz LZRJOVREYKCMMD-QHCPKHFHSA-N 1 1 422.573 2.692 50 0 HFAAMO CC[NH+]1CCN(C(=O)CCNC(=O)c2csc(Nc3ccccc3Cl)n2)CC1 ZINC000037426565 571317459 /nfs/dbraw/zinc/31/74/59/571317459.db2.gz FTIXDDNXLIKUPD-UHFFFAOYSA-N 1 1 421.954 2.824 50 0 HFAAMO O=C(CCC(=O)N1CCOc2ccccc21)NCCC[N@H+]1CCc2ccccc2C1 ZINC000006798519 132317220 /nfs/dbraw/zinc/31/72/20/132317220.db2.gz IOHOHQAHFCHSDQ-UHFFFAOYSA-N 1 1 407.514 2.757 50 0 HFAAMO CC(C)C[C@H](CNC(=O)Nc1ccc(C(=O)N2CCCC2)cc1)[NH+]1CCOCC1 ZINC000044014236 519348525 /nfs/dbraw/zinc/34/85/25/519348525.db2.gz JLWGYFNSVCKFSG-HXUWFJFHSA-N 1 1 402.539 2.791 50 0 HFAAMO CCOC(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2ccc(OC)c(OC)c2)CC1 ZINC000045004316 520559467 /nfs/dbraw/zinc/55/94/67/520559467.db2.gz UYGJYFATGXURLC-SFHVURJKSA-N 1 1 404.507 2.642 50 0 HFAAMO CCOC(=O)C1CCN(C(=O)C[N@H+]2CCC[C@H]2c2ccc(OC)c(OC)c2)CC1 ZINC000045004316 520559472 /nfs/dbraw/zinc/55/94/72/520559472.db2.gz UYGJYFATGXURLC-SFHVURJKSA-N 1 1 404.507 2.642 50 0 HFAAMO CCN1CC[NH+](Cc2ccccc2CNc2ccc3nnc(C(F)(F)F)n3n2)CC1 ZINC000032916249 521688599 /nfs/dbraw/zinc/68/85/99/521688599.db2.gz FDRWVSSEINZWDJ-UHFFFAOYSA-N 1 1 419.455 2.893 50 0 HFAAMO COc1ccc(C[N@H+]2CCN(Cc3cccc4nonc43)C[C@@H]2CCO)c(C)c1C ZINC000020536519 524032622 /nfs/dbraw/zinc/03/26/22/524032622.db2.gz FJSDXNVQZJGYCP-FQEVSTJZSA-N 1 1 410.518 2.917 50 0 HFAAMO COc1ccc(CN2CC[N@H+](Cc3cccc4nonc43)C[C@@H]2CCO)c(C)c1C ZINC000020536519 524032626 /nfs/dbraw/zinc/03/26/26/524032626.db2.gz FJSDXNVQZJGYCP-FQEVSTJZSA-N 1 1 410.518 2.917 50 0 HFAAMO COc1ccc(CN2CC[N@@H+](Cc3cccc4nonc43)C[C@@H]2CCO)c(C)c1C ZINC000020536519 524032628 /nfs/dbraw/zinc/03/26/28/524032628.db2.gz FJSDXNVQZJGYCP-FQEVSTJZSA-N 1 1 410.518 2.917 50 0 HFAAMO Cc1ccc(C[N@H+]2CCCN(C(=O)Cn3cccc(C(F)(F)F)c3=O)CC2)cc1 ZINC000032827636 524447437 /nfs/dbraw/zinc/44/74/37/524447437.db2.gz PKBNKNYNYDOWPO-UHFFFAOYSA-N 1 1 407.436 2.910 50 0 HFAAMO COc1ccc(NC(=O)C[N@@H+](CC2CC2)C(C)C)cc1S(=O)(=O)N1CCCCC1 ZINC000032913406 524491360 /nfs/dbraw/zinc/49/13/60/524491360.db2.gz WRPZVZVCXXQMIJ-UHFFFAOYSA-N 1 1 423.579 2.929 50 0 HFAAMO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)Nc1cc(Cl)ccc1Cl ZINC000032870771 526487995 /nfs/dbraw/zinc/48/79/95/526487995.db2.gz NJAQGGURWLLIJG-MRXNPFEDSA-N 1 1 400.306 2.645 50 0 HFAAMO O=C(c1ccccc1)c1ccc2nc(NCCC[NH+]3CCOCC3)c3nncn3c2c1 ZINC000020565299 526798387 /nfs/dbraw/zinc/79/83/87/526798387.db2.gz NUNMZTIGJXYUJY-UHFFFAOYSA-N 1 1 416.485 2.643 50 0 HFAAMO O=C(CS(=O)(=O)c1ccc(Cl)cc1)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000032400450 527006247 /nfs/dbraw/zinc/00/62/47/527006247.db2.gz JGKAQEVUDBCCAV-UHFFFAOYSA-N 1 1 406.935 2.678 50 0 HFAAMO O=C(CS(=O)(=O)c1ccc(Cl)cc1)NCCC[N@H+]1CCc2ccccc2C1 ZINC000032400450 527006251 /nfs/dbraw/zinc/00/62/51/527006251.db2.gz JGKAQEVUDBCCAV-UHFFFAOYSA-N 1 1 406.935 2.678 50 0 HFAAMO COCCN(C[C@@H]1C[N@@H+](Cc2ccco2)C[C@@H]1c1ccccc1OC)C(=O)COC ZINC000034740632 557444025 /nfs/dbraw/zinc/44/40/25/557444025.db2.gz YMXJBGWYBUVNLF-RXVVDRJESA-N 1 1 416.518 2.625 50 0 HFAAMO Cc1ccc(-c2ccc(N3CCC[C@H](C(=O)NCCC[NH+]4CCOCC4)C3)nn2)cc1 ZINC000035398076 557535643 /nfs/dbraw/zinc/53/56/43/557535643.db2.gz YWSLRKZXEXXGNV-NRFANRHFSA-N 1 1 423.561 2.507 50 0 HFAAMO CC[NH+]1CCN(C(=O)c2ccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000004806247 557599290 /nfs/dbraw/zinc/59/92/90/557599290.db2.gz ISKPIMOHNJWBNK-UHFFFAOYSA-N 1 1 421.950 2.943 50 0 HFAAMO Cc1ccccc1C[NH+]1CCN(CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)CC1 ZINC000022781625 557819676 /nfs/dbraw/zinc/81/96/76/557819676.db2.gz WDDRNRUCTVMUQK-LJQANCHMSA-N 1 1 406.530 2.877 50 0 HFAAMO CN(CC(=O)Nc1ccccc1Cl)C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000022796157 557823069 /nfs/dbraw/zinc/82/30/69/557823069.db2.gz QIDCVMUJPPUCGJ-UHFFFAOYSA-N 1 1 414.937 2.555 50 0 HFAAMO COc1ccc(CN2CC[N@H+](C3CSCCSC3)C[C@@H]2CCO)c(F)c1 ZINC000019741990 558262498 /nfs/dbraw/zinc/26/24/98/558262498.db2.gz LBYMKUNACGGNQD-INIZCTEOSA-N 1 1 400.585 2.552 50 0 HFAAMO CCc1nc(C)c(CN2CC[N@@H+](Cc3ccc(OC)c(C)c3C)[C@@H](CCO)C2)[nH]1 ZINC000019781869 558281399 /nfs/dbraw/zinc/28/13/99/558281399.db2.gz GCIHNWYLRCFDIW-FQEVSTJZSA-N 1 1 400.567 2.975 50 0 HFAAMO CC(C)c1ccc(N(CC(=O)N2CC[NH+](C)CC2)S(=O)(=O)c2ccccc2)cc1 ZINC000019800488 558285555 /nfs/dbraw/zinc/28/55/55/558285555.db2.gz KBMMLLYFYFRQPV-UHFFFAOYSA-N 1 1 415.559 2.779 50 0 HFAAMO Cc1ccc(CNC(=O)[C@H]2CCC[N@H+](C3CCN(C(=O)C4CC4)CC3)C2)cc1F ZINC000011872922 558290851 /nfs/dbraw/zinc/29/08/51/558290851.db2.gz ZACOAIAFBLVTGF-IBGZPJMESA-N 1 1 401.526 2.863 50 0 HFAAMO CC(C)[NH+]1CCC(N2CCN(Cc3ccc(-n4cccn4)cc3)C[C@@H]2CCO)CC1 ZINC000019835728 558292806 /nfs/dbraw/zinc/29/28/06/558292806.db2.gz WBZPKMDWPKCNFW-DEOSSOPVSA-N 1 1 411.594 2.614 50 0 HFAAMO O=C(NCCc1ccccc1)[C@H]1CCC[N@H+](C2CCN(C(=O)c3ccoc3)CC2)C1 ZINC000011947242 558302503 /nfs/dbraw/zinc/30/25/03/558302503.db2.gz QHZLIZFOTTXXMP-FQEVSTJZSA-N 1 1 409.530 2.955 50 0 HFAAMO CCC(=O)N[C@@H](c1nnc2n1CC[N@@H+](Cc1c(OC)cccc1OC)CC2)C(C)C ZINC000012037319 558312172 /nfs/dbraw/zinc/31/21/72/558312172.db2.gz OYABREOZZOYDOQ-OAQYLSRUSA-N 1 1 415.538 2.577 50 0 HFAAMO CCC(=O)N[C@@H](c1nnc2n1CC[N@H+](Cc1c(OC)cccc1OC)CC2)C(C)C ZINC000012037319 558312173 /nfs/dbraw/zinc/31/21/73/558312173.db2.gz OYABREOZZOYDOQ-OAQYLSRUSA-N 1 1 415.538 2.577 50 0 HFAAMO Cc1c(C(=O)NC[C@H]2CCC[N@H+](C)C2)cnn1-c1ncc2c(n1)-c1ccccc1CC2 ZINC000012133032 558333176 /nfs/dbraw/zinc/33/31/76/558333176.db2.gz CTKUBTIPQGJRLN-QGZVFWFLSA-N 1 1 416.529 2.808 50 0 HFAAMO Cc1ccc(Cl)cc1N1CC[NH+](C[C@@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000020109715 558334973 /nfs/dbraw/zinc/33/49/73/558334973.db2.gz MNZIFGMWSXTGLL-QGZVFWFLSA-N 1 1 404.894 2.939 50 0 HFAAMO Cc1ccc(Cl)cc1N1CC[NH+](C[C@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000020109716 558334979 /nfs/dbraw/zinc/33/49/79/558334979.db2.gz MNZIFGMWSXTGLL-KRWDZBQOSA-N 1 1 404.894 2.939 50 0 HFAAMO CC(C)=CCC[C@@H](C)C[N@@H+]1CCc2nnc(CCNC(=O)c3cccnc3)n2CC1 ZINC000012245618 558361463 /nfs/dbraw/zinc/36/14/63/558361463.db2.gz UDOUZIZIPVYVDW-LJQANCHMSA-N 1 1 410.566 2.886 50 0 HFAAMO C[C@H](C(=O)N1CCN(Cc2ccccc2)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020432365 558362956 /nfs/dbraw/zinc/36/29/56/558362956.db2.gz WEBKZHJPVWUTOP-JOCHJYFZSA-N 1 1 406.574 2.537 50 0 HFAAMO CCOC(=O)N1CCC([N@H+]2CCC[C@H](CNC(=O)c3[nH]nc4ccccc43)C2)CC1 ZINC000012300907 558370617 /nfs/dbraw/zinc/37/06/17/558370617.db2.gz PLHAHICDENHDBM-MRXNPFEDSA-N 1 1 413.522 2.626 50 0 HFAAMO CCOC(=O)N1CCC([N@@H+]2CCC[C@H](CNC(=O)c3n[nH]c4ccccc43)C2)CC1 ZINC000012300907 558370618 /nfs/dbraw/zinc/37/06/18/558370618.db2.gz PLHAHICDENHDBM-MRXNPFEDSA-N 1 1 413.522 2.626 50 0 HFAAMO CCOC(=O)N1CCC([N@H+]2CCC[C@H](CNC(=O)c3n[nH]c4ccccc43)C2)CC1 ZINC000012300907 558370619 /nfs/dbraw/zinc/37/06/19/558370619.db2.gz PLHAHICDENHDBM-MRXNPFEDSA-N 1 1 413.522 2.626 50 0 HFAAMO COCC[NH+]1CCC(CN(C[C@@H]2CCCO2)C(=O)c2[nH]nc3ccccc32)CC1 ZINC000012317422 558380842 /nfs/dbraw/zinc/38/08/42/558380842.db2.gz KCOMGKJJAAFYGQ-SFHVURJKSA-N 1 1 400.523 2.543 50 0 HFAAMO COc1cccc(CN2CC[N@@H+](Cc3cccc(-n4cccn4)c3)C[C@@H]2CCO)c1 ZINC000020534560 558385639 /nfs/dbraw/zinc/38/56/39/558385639.db2.gz PTEUXMGFGQKMQY-QHCPKHFHSA-N 1 1 406.530 2.950 50 0 HFAAMO COc1cccc(C[N@@H+]2CCN(Cc3cccc(-n4cccn4)c3)C[C@@H]2CCO)c1 ZINC000020534560 558385646 /nfs/dbraw/zinc/38/56/46/558385646.db2.gz PTEUXMGFGQKMQY-QHCPKHFHSA-N 1 1 406.530 2.950 50 0 HFAAMO COc1cccc(C[N@H+]2CCN(Cc3cccc(-n4cccn4)c3)C[C@@H]2CCO)c1 ZINC000020534560 558385649 /nfs/dbraw/zinc/38/56/49/558385649.db2.gz PTEUXMGFGQKMQY-QHCPKHFHSA-N 1 1 406.530 2.950 50 0 HFAAMO COc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H](CN3CCOCC3)C2)c(OC)c1 ZINC000012432252 558406481 /nfs/dbraw/zinc/40/64/81/558406481.db2.gz ZGQQETLZBJLLTI-KRWDZBQOSA-N 1 1 400.523 2.638 50 0 HFAAMO O=C(c1cc(COc2cccc(F)c2)n[nH]1)N1CCC([NH+]2CCSCC2)CC1 ZINC000012447378 558414902 /nfs/dbraw/zinc/41/49/02/558414902.db2.gz PSZHOKXXFSHJJB-UHFFFAOYSA-N 1 1 404.511 2.781 50 0 HFAAMO Cc1nn(CC(=O)N[C@H]2CCC[N@@H+](CCc3ccccc3)C2)c(=O)c2ccccc12 ZINC000012457785 558417977 /nfs/dbraw/zinc/41/79/77/558417977.db2.gz NMVLKTRSZUYCFN-FQEVSTJZSA-N 1 1 404.514 2.528 50 0 HFAAMO CCOC(=O)N1CCN([C@H]2CCC[N@@H+](Cc3cc(C)ccc3-n3cccn3)C2)CC1 ZINC000020905963 558420719 /nfs/dbraw/zinc/42/07/19/558420719.db2.gz IWECJVCUMHRYPR-NRFANRHFSA-N 1 1 411.550 2.919 50 0 HFAAMO C[N@@H+](CCc1ccccc1)[C@H]1CCCN(C(=O)c2ccc(Cn3cnnn3)cc2)C1 ZINC000012471491 558422072 /nfs/dbraw/zinc/42/20/72/558422072.db2.gz FRMANVAKSKGRGR-QFIPXVFZSA-N 1 1 404.518 2.501 50 0 HFAAMO CN(C[C@@H]1CCC[N@@H+](CCc2ccccc2F)C1)C(=O)CCCN1CCCC1=O ZINC000012481159 558423410 /nfs/dbraw/zinc/42/34/10/558423410.db2.gz WZPLMKDDDWOFSV-IBGZPJMESA-N 1 1 403.542 2.941 50 0 HFAAMO CN(CCC[NH+]1CCOCC1)C(=O)c1cn(C(c2ccccc2)c2ccccc2)nn1 ZINC000020996121 558426846 /nfs/dbraw/zinc/42/68/46/558426846.db2.gz HIDNIXOOTCIIFS-UHFFFAOYSA-N 1 1 419.529 2.710 50 0 HFAAMO COc1ccc(CC[N@@H+](C)[C@H]2CCCN(C(=O)CCN3CCCCO3)C2)cc1OC ZINC000012707762 558450596 /nfs/dbraw/zinc/45/05/96/558450596.db2.gz IYCZMDLABLHGKA-FQEVSTJZSA-N 1 1 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50 0 HFAAMO CSCC[C@H](Nc1nc(C)cc(C)n1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000095479552 568632385 /nfs/dbraw/zinc/63/23/85/568632385.db2.gz IGJIUCUAHXLBQR-FQEVSTJZSA-N 1 1 413.591 2.971 50 0 HFAAMO Cc1ccc(Cc2c(C)nc3c(C(=O)NCCC[NH+]4CCOCC4)cnn3c2C)cc1 ZINC000020677940 568639847 /nfs/dbraw/zinc/63/98/47/568639847.db2.gz RXKBTZIBVYJKQS-UHFFFAOYSA-N 1 1 421.545 2.697 50 0 HFAAMO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CCCN3Cc3ccccc3)cc2)C1 ZINC000095947536 568665179 /nfs/dbraw/zinc/66/51/79/568665179.db2.gz FSYUFJPGQWHLDD-GMAHTHKFSA-N 1 1 420.557 2.987 50 0 HFAAMO NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3CCCN3Cc3ccccc3)cc2)C1 ZINC000095947536 568665182 /nfs/dbraw/zinc/66/51/82/568665182.db2.gz FSYUFJPGQWHLDD-GMAHTHKFSA-N 1 1 420.557 2.987 50 0 HFAAMO COc1ccc(N2C[C@H](c3nc4ccccc4n3CC[NH+]3CCOCC3)CC2=O)cc1 ZINC000021171566 568676560 /nfs/dbraw/zinc/67/65/60/568676560.db2.gz UMWHCTQRVSAQPH-GOSISDBHSA-N 1 1 420.513 2.898 50 0 HFAAMO 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CCc1ccc([C@@H]([NH2+]CC(=O)N[C@@]2(C)CCS(=O)(=O)C2)c2cccs2)cc1 ZINC000039990641 571136580 /nfs/dbraw/zinc/13/65/80/571136580.db2.gz IARVFUSYEOHEJQ-UXHICEINSA-N 1 1 406.573 2.683 50 0 HFAAMO C[N@@H+]1CCN(C(=O)C[C@H](NC(N)=O)c2ccccc2Cl)[C@H](c2ccccc2)C1 ZINC000040013003 571138391 /nfs/dbraw/zinc/13/83/91/571138391.db2.gz KURDBSUABPTSCX-OALUTQOASA-N 1 1 400.910 2.955 50 0 HFAAMO C[N@H+]1CCN(C(=O)C[C@H](NC(N)=O)c2ccccc2Cl)[C@H](c2ccccc2)C1 ZINC000040013003 571138392 /nfs/dbraw/zinc/13/83/92/571138392.db2.gz KURDBSUABPTSCX-OALUTQOASA-N 1 1 400.910 2.955 50 0 HFAAMO Cc1nc2ncnn2c(C)c1CCC(=O)NC[C@@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000040070948 571151396 /nfs/dbraw/zinc/15/13/96/571151396.db2.gz DZPVJBIEXYLNNL-QFIPXVFZSA-N 1 1 420.561 2.873 50 0 HFAAMO COCCOc1ccc(S(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1C ZINC000040087742 571158079 /nfs/dbraw/zinc/15/80/79/571158079.db2.gz PEUXWDLHEQQOLH-GOSISDBHSA-N 1 1 408.520 2.729 50 0 HFAAMO CCN1CC[NH+](Cc2ccccc2CNC(=O)c2cccc(C[S@@](C)=O)c2)CC1 ZINC000040107977 571167870 /nfs/dbraw/zinc/16/78/70/571167870.db2.gz QUKWVNXNIAZLJM-LJAQVGFWSA-N 1 1 413.587 2.633 50 0 HFAAMO CC[C@@](C)(CNC(=O)Cn1c2ccccc2nc1SC(F)F)[NH+]1CCOCC1 ZINC000040117711 571174511 /nfs/dbraw/zinc/17/45/11/571174511.db2.gz OWEMUQYFCWAPHP-IBGZPJMESA-N 1 1 412.506 2.968 50 0 HFAAMO CN1C(=O)N(CC(=O)N2C[C@@H]3CCC[N@H+]3Cc3ccccc32)C(=O)C12CCCCC2 ZINC000040146324 571196216 /nfs/dbraw/zinc/19/62/16/571196216.db2.gz WNJSGEDLVJQKNJ-SFHVURJKSA-N 1 1 410.518 2.595 50 0 HFAAMO C[N@H+](CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)[C@H]1CCc2ccccc21 ZINC000245224762 571217434 /nfs/dbraw/zinc/21/74/34/571217434.db2.gz DDXKRGOMRMMIIJ-RDPSFJRHSA-N 1 1 420.513 2.580 50 0 HFAAMO C[N@@H+](CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)[C@H]1CCc2ccccc21 ZINC000245224762 571217438 /nfs/dbraw/zinc/21/74/38/571217438.db2.gz DDXKRGOMRMMIIJ-RDPSFJRHSA-N 1 1 420.513 2.580 50 0 HFAAMO COc1ccc(CCNC(=O)C2CC[NH+](CC(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000009067963 571218263 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408.285 2.924 50 0 HFAAMO COc1ccc(OC)c(NC(=O)c2nc3ccccc3nc2N2CC[NH+](C)CC2)c1 ZINC000033086043 132503199 /nfs/dbraw/zinc/50/31/99/132503199.db2.gz KPNCPUFOFRSSNE-UHFFFAOYSA-N 1 1 407.474 2.651 50 0 HFAAMO CCOc1ccc(C[N@@H+]2CCN(Cc3cnc(SC)nc3)C[C@@H]2CCO)cc1 ZINC000020541361 520973899 /nfs/dbraw/zinc/97/38/99/520973899.db2.gz DCWVHXLGVAEAFZ-IBGZPJMESA-N 1 1 402.564 2.666 50 0 HFAAMO CCOc1ccc(C[N@H+]2CCN(Cc3cnc(SC)nc3)C[C@@H]2CCO)cc1 ZINC000020541361 520973908 /nfs/dbraw/zinc/97/39/08/520973908.db2.gz DCWVHXLGVAEAFZ-IBGZPJMESA-N 1 1 402.564 2.666 50 0 HFAAMO CCN1C[C@@H](C[N@@H+](C)C[C@@H](O)COCc2ccccc2OC)Oc2ccccc21 ZINC000032814674 521727583 /nfs/dbraw/zinc/72/75/83/521727583.db2.gz YEQGQCMFKSOJFV-WOJBJXKFSA-N 1 1 400.519 2.792 50 0 HFAAMO CCc1ccc(C(=O)C[C@@]2(O)c3ccccc3N(CN3CC[NH+](CC)CC3)C2=O)cc1 ZINC000020546576 523879296 /nfs/dbraw/zinc/87/92/96/523879296.db2.gz WPLRLWSPHIUJBO-RUZDIDTESA-N 1 1 421.541 2.651 50 0 HFAAMO Cc1ccc2[nH]c3c(cnn(CC(=O)N4CC[NH+](Cc5ccccc5)CC4)c3=O)c2c1 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O=C(CCCCCn1nnc2ccccc2c1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020412034 558360877 /nfs/dbraw/zinc/36/08/77/558360877.db2.gz IINQWHUXTUYVIA-UHFFFAOYSA-N 1 1 419.529 2.696 50 0 HFAAMO C[C@H](NC(=O)COc1ccccc1)c1nnc2n1CC[N@H+](Cc1ccc(F)cc1)CC2 ZINC000012281835 558365446 /nfs/dbraw/zinc/36/54/46/558365446.db2.gz MZOJOYDOUJREQM-KRWDZBQOSA-N 1 1 423.492 2.732 50 0 HFAAMO C[N@H+](Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@H]1CCCO1)C(C1CC1)C1CC1 ZINC000012302017 558371561 /nfs/dbraw/zinc/37/15/61/558371561.db2.gz YMSHPSQUCCBBFA-LJQANCHMSA-N 1 1 407.580 2.866 50 0 HFAAMO C[N@@H+](Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@H]1CCCO1)C(C1CC1)C1CC1 ZINC000012302017 558371562 /nfs/dbraw/zinc/37/15/62/558371562.db2.gz YMSHPSQUCCBBFA-LJQANCHMSA-N 1 1 407.580 2.866 50 0 HFAAMO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@H+](Cc3nccn3C)C2)c(OC)c1 ZINC000012306378 558375298 /nfs/dbraw/zinc/37/52/98/558375298.db2.gz LRHWTLPIKKMEHV-KRWDZBQOSA-N 1 1 400.523 2.746 50 0 HFAAMO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+](Cc3nccn3C)C2)c(OC)c1 ZINC000012306378 558375299 /nfs/dbraw/zinc/37/52/99/558375299.db2.gz LRHWTLPIKKMEHV-KRWDZBQOSA-N 1 1 400.523 2.746 50 0 HFAAMO O=C(CCn1c(CO)nc2ccccc21)N[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000012316311 558379611 /nfs/dbraw/zinc/37/96/11/558379611.db2.gz RZAMGTJVVYLRFC-FQEVSTJZSA-N 1 1 406.530 2.742 50 0 HFAAMO CN(CCc1ccccc1)C(=O)c1nc2sccn2c1C[N@@H+]1CCC[C@@H](CO)C1 ZINC000012317800 558381122 /nfs/dbraw/zinc/38/11/22/558381122.db2.gz NXBQPOFDKSGWOR-GOSISDBHSA-N 1 1 412.559 2.915 50 0 HFAAMO CN(CCc1ccccc1)C(=O)c1nc2sccn2c1C[N@H+]1CCC[C@@H](CO)C1 ZINC000012317800 558381124 /nfs/dbraw/zinc/38/11/24/558381124.db2.gz NXBQPOFDKSGWOR-GOSISDBHSA-N 1 1 412.559 2.915 50 0 HFAAMO COc1ccc(-c2coc3cc(OCC(=O)N4CC[NH+](C)CC4)ccc3c2=O)cc1 ZINC000020649621 558397605 /nfs/dbraw/zinc/39/76/05/558397605.db2.gz ASZBLJLYGDIJBS-UHFFFAOYSA-N 1 1 408.454 2.621 50 0 biogenic HFAAMO CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2c2ccc(OC)cc2OC)C1 ZINC000020953318 558424780 /nfs/dbraw/zinc/42/47/80/558424780.db2.gz OELYAWOCRWTUDG-QFBILLFUSA-N 1 1 404.507 2.642 50 0 HFAAMO CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2c2ccc(OC)cc2OC)C1 ZINC000020953318 558424783 /nfs/dbraw/zinc/42/47/83/558424783.db2.gz OELYAWOCRWTUDG-QFBILLFUSA-N 1 1 404.507 2.642 50 0 HFAAMO COc1ccc(CN2CC[N@@H+](Cc3ccccc3)[C@@H](CCO)C2)c(OC)c1OC ZINC000020993271 558426224 /nfs/dbraw/zinc/42/62/24/558426224.db2.gz GEJQMFVWKKFXSX-FQEVSTJZSA-N 1 1 400.519 2.781 50 0 HFAAMO O=C(NCc1cccc2[nH]ccc21)[C@H]1CCC[N@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000012586415 558434076 /nfs/dbraw/zinc/43/40/76/558434076.db2.gz JJALNJIHWGPKTG-IBGZPJMESA-N 1 1 408.546 2.897 50 0 HFAAMO CCOc1cccc([C@H]2NC(=[NH2+])Nc3nc4cc5c(cc4n32)OCCCO5)c1OC ZINC000012630203 558441636 /nfs/dbraw/zinc/44/16/36/558441636.db2.gz QXCKMOAXNYRLJV-IBGZPJMESA-N 1 1 409.446 2.701 50 0 HFAAMO CC(C)c1ccccc1OC[C@@H](O)C[NH2+]CCN1CCN(Cc2ccccc2)CC1 ZINC000022032953 558459352 /nfs/dbraw/zinc/45/93/52/558459352.db2.gz ZSRULZPFIHBATJ-QHCPKHFHSA-N 1 1 411.590 2.957 50 0 HFAAMO Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000012997086 558499011 /nfs/dbraw/zinc/49/90/11/558499011.db2.gz PYZAGXLIKJZUNT-UHFFFAOYSA-N 1 1 415.559 2.688 50 0 HFAAMO COc1ccccc1[C@H](CNC(=O)COc1ccc(C(C)=O)cc1OC)[NH+](C)C ZINC000022678984 558504141 /nfs/dbraw/zinc/50/41/41/558504141.db2.gz DJEJNZQJWWULSZ-SFHVURJKSA-N 1 1 400.475 2.704 50 0 HFAAMO Cc1c(CCC(=O)NCc2cccc(C)c2)c(C(=O)N2CC[NH+](C)CC2)c(C)n1C ZINC000064756965 558504572 /nfs/dbraw/zinc/50/45/72/558504572.db2.gz KVKCULAAPJGYMI-UHFFFAOYSA-N 1 1 410.562 2.587 50 0 HFAAMO CCN1CCN(C[C@H](O)COc2cccc(C[NH2+]Cc3ccc(C)s3)c2)CC1 ZINC000022851335 558516954 /nfs/dbraw/zinc/51/69/54/558516954.db2.gz UWPAJAQAMJEPGR-FQEVSTJZSA-N 1 1 403.592 2.724 50 0 HFAAMO COc1ccc(CCN(C)[C@H]2CCC[N@H+](C3CCN(C(C)=O)CC3)C2)cc1OC ZINC000023361114 558552045 /nfs/dbraw/zinc/55/20/45/558552045.db2.gz VPBPJVQJUTXPIB-NRFANRHFSA-N 1 1 403.567 2.653 50 0 HFAAMO COc1ccc(CC[N@H+](C)[C@H]2CCCN(C3CCN(C(C)=O)CC3)C2)cc1OC ZINC000023361114 558552049 /nfs/dbraw/zinc/55/20/49/558552049.db2.gz VPBPJVQJUTXPIB-NRFANRHFSA-N 1 1 403.567 2.653 50 0 HFAAMO COc1ccc(CC[N@@H+](C)[C@H]2CCCN(C3CCN(C(C)=O)CC3)C2)cc1OC ZINC000023361114 558552052 /nfs/dbraw/zinc/55/20/52/558552052.db2.gz VPBPJVQJUTXPIB-NRFANRHFSA-N 1 1 403.567 2.653 50 0 HFAAMO COC(=O)[C@H]1CN(C(=O)C[N@H+](C)Cc2ccc(SC)cc2)c2ccccc2O1 ZINC000024762614 558611083 /nfs/dbraw/zinc/61/10/83/558611083.db2.gz ZOYXEMCPXNMSFI-LJQANCHMSA-N 1 1 400.500 2.808 50 0 HFAAMO COC(=O)[C@H]1CN(C(=O)C[N@@H+](C)Cc2ccc(SC)cc2)c2ccccc2O1 ZINC000024762614 558611085 /nfs/dbraw/zinc/61/10/85/558611085.db2.gz ZOYXEMCPXNMSFI-LJQANCHMSA-N 1 1 400.500 2.808 50 0 HFAAMO CC[C@@H](CNC(=O)NCc1ccc(N2CCOCC2)nc1)[N@H+]1CCc2ccccc2C1 ZINC000027347535 558672214 /nfs/dbraw/zinc/67/22/14/558672214.db2.gz BTEUBAJIMADFMM-QFIPXVFZSA-N 1 1 423.561 2.554 50 0 HFAAMO Cc1c([C@H]2c3ccccc3C(=O)N2CC(=O)N2CC[NH+](C)CC2)c2ccccc2n1C ZINC000027564077 558675019 /nfs/dbraw/zinc/67/50/19/558675019.db2.gz AOSFROXALCRYHJ-XMMPIXPASA-N 1 1 416.525 2.806 50 0 HFAAMO COCC(=O)N[C@H](c1nnc2n1CC[N@H+](Cc1cccc3ccccc31)CC2)C(C)C ZINC000014882887 558676713 /nfs/dbraw/zinc/67/67/13/558676713.db2.gz GIKOHBGOYMCUHW-QHCPKHFHSA-N 1 1 421.545 2.949 50 0 HFAAMO Cc1nn(CC(C)C)c(C)c1CC(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000027612982 558677331 /nfs/dbraw/zinc/67/73/31/558677331.db2.gz QMVKZYRLWKTSMH-UHFFFAOYSA-N 1 1 415.557 2.776 50 0 HFAAMO Cc1nnsc1C(=O)N(CC[NH+](C)C)C[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC000014961131 558684121 /nfs/dbraw/zinc/68/41/21/558684121.db2.gz DTQPCTXZTXHBSB-QGZVFWFLSA-N 1 1 419.570 2.902 50 0 HFAAMO NS(=O)(=O)c1ccc(NC(=O)C[NH2+][C@H](c2cccs2)c2ccc(F)cc2)cc1 ZINC000072296316 558749145 /nfs/dbraw/zinc/74/91/45/558749145.db2.gz AANMNNFUKCTCLR-IBGZPJMESA-N 1 1 419.503 2.852 50 0 HFAAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)Cn1nnc(-c2ccccc2C)n1 ZINC000004577756 558754246 /nfs/dbraw/zinc/75/42/46/558754246.db2.gz LYLUJBCWPARIDH-CTNGQTDRSA-N 1 1 402.502 2.791 50 0 HFAAMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016000707 558766072 /nfs/dbraw/zinc/76/60/72/558766072.db2.gz GIOAWWPCSIQNBC-UAKAABGRSA-N 1 1 419.456 2.874 50 0 HFAAMO Fc1ccc(Oc2cc(N3CC[NH+](CCN4CCOCC4)CC3)ncn2)c(Cl)c1 ZINC000037379063 558804614 /nfs/dbraw/zinc/80/46/14/558804614.db2.gz WNJRPPKIBORZSJ-UHFFFAOYSA-N 1 1 421.904 2.516 50 0 HFAAMO COc1ccc(CN2CC[N@@H+](Cc3ccccc3)[C@H](CCO)C2)c(OC)c1OC ZINC000039421363 558821107 /nfs/dbraw/zinc/82/11/07/558821107.db2.gz GEJQMFVWKKFXSX-HXUWFJFHSA-N 1 1 400.519 2.781 50 0 HFAAMO O=C1C[C@H]([NH2+]Cc2ccc3c(c2)OCO3)C(=O)N1c1cccc(Br)c1 ZINC000018250440 558834719 /nfs/dbraw/zinc/83/47/19/558834719.db2.gz BVSFUMVOSNOWCE-AWEZNQCLSA-N 1 1 403.232 2.600 50 0 HFAAMO COc1cccc(N2C[C@H](C(=O)N3CCC[N@@H+](Cc4ccccc4)CC3)CC2=O)c1 ZINC000023021317 558865106 /nfs/dbraw/zinc/86/51/06/558865106.db2.gz NGWFGJHFZASESE-HXUWFJFHSA-N 1 1 407.514 2.783 50 0 HFAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)C[C@@H](C(=O)N1CCc2ccccc21)n1ccnc1 ZINC000004670023 558880689 /nfs/dbraw/zinc/88/06/89/558880689.db2.gz SRVJADBFRDIZBM-UGKGYDQZSA-N 1 1 423.561 2.784 50 0 HFAAMO CCCC[N@@H+](C)CCCNC(=O)C[C@H](C(=O)N1CCc2ccccc21)n1ccnc1 ZINC000004669987 558880705 /nfs/dbraw/zinc/88/07/05/558880705.db2.gz CJPRVDZPRWFAAH-OAQYLSRUSA-N 1 1 411.550 2.642 50 0 HFAAMO COc1ccc(Cl)cc1NC(=O)N1CC[NH+](CCn2cnc3cccnc32)CC1 ZINC000033139688 558891341 /nfs/dbraw/zinc/89/13/41/558891341.db2.gz YVLJRFCQQJRCFX-UHFFFAOYSA-N 1 1 414.897 2.943 50 0 HFAAMO CCc1nc2cccnc2n1CC[NH+]1CCN(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000033139807 558891539 /nfs/dbraw/zinc/89/15/39/558891539.db2.gz ITCITPQQLXXMPI-UHFFFAOYSA-N 1 1 422.489 2.572 50 0 HFAAMO COc1ccc(CCNC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2N2CCOCC2)cc1 ZINC000057996100 558893622 /nfs/dbraw/zinc/89/36/22/558893622.db2.gz JTACFKVYTTTZAS-LJQANCHMSA-N 1 1 411.546 2.711 50 0 HFAAMO COc1ccc(CCNC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2N2CCOCC2)cc1 ZINC000057996100 558893625 /nfs/dbraw/zinc/89/36/25/558893625.db2.gz JTACFKVYTTTZAS-LJQANCHMSA-N 1 1 411.546 2.711 50 0 HFAAMO C[N@H+]1CCN(CCNC(=O)Cc2cnn(-c3ccccc3)c2)[C@H](c2ccccc2)C1 ZINC000058088380 558898486 /nfs/dbraw/zinc/89/84/86/558898486.db2.gz UIDDPIOPFZAQNE-QHCPKHFHSA-N 1 1 403.530 2.520 50 0 HFAAMO O=C(c1ccc2[nH]cnc2c1)N1CCC([N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071759305 558909752 /nfs/dbraw/zinc/90/97/52/558909752.db2.gz GPDGUOWNJBNCBP-GOSISDBHSA-N 1 1 409.534 2.502 50 0 HFAAMO Cc1ncn(-c2cc(N3CCN(C(=O)c4c(F)cccc4F)CC3)[nH+]c(C)n2)c1C ZINC000072437945 558981247 /nfs/dbraw/zinc/98/12/47/558981247.db2.gz UGKMKMOBEGJGOE-UHFFFAOYSA-N 1 1 412.444 2.828 50 0 HFAAMO O=C(c1ccc(-c2ccccc2)c(F)c1)[C@H]1CCC[N@H+](Cc2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000067774234 558992801 /nfs/dbraw/zinc/99/28/01/558992801.db2.gz PVXSLXFNVOMLIX-KRWDZBQOSA-N 1 1 407.445 2.964 50 0 HFAAMO O=C(c1ccc(-c2ccccc2)c(F)c1)[C@H]1CCC[N@@H+](Cc2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000067774234 558992802 /nfs/dbraw/zinc/99/28/02/558992802.db2.gz PVXSLXFNVOMLIX-KRWDZBQOSA-N 1 1 407.445 2.964 50 0 HFAAMO Cc1cc(O)c([C@H](c2ccccc2)[NH+]2CCN(C)CC2)c(=O)n1Cc1ccccn1 ZINC000023086519 558999923 /nfs/dbraw/zinc/99/99/23/558999923.db2.gz BLNFAVTUDSURTN-QHCPKHFHSA-N 1 1 404.514 2.642 50 0 HFAAMO CCN(CC)C(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000082091839 559037147 /nfs/dbraw/zinc/03/71/47/559037147.db2.gz MMCQNRVWUWONNV-OAQYLSRUSA-N 1 1 414.594 2.984 50 0 HFAAMO COCC1(NC(=O)[C@@H]2CCC[N@H+](C3CCN(Cc4ccncc4)CC3)C2)CCCC1 ZINC000082096711 559037279 /nfs/dbraw/zinc/03/72/79/559037279.db2.gz XBIKDXICJMCTDO-OAQYLSRUSA-N 1 1 414.594 2.833 50 0 HFAAMO O=C(NCc1cccnc1)[C@@H]1CCC[N@H+](C2CCN(Cc3cccc(O)c3)CC2)C1 ZINC000082098214 559037975 /nfs/dbraw/zinc/03/79/75/559037975.db2.gz JDLVIEDJQXSVRR-OAQYLSRUSA-N 1 1 408.546 2.780 50 0 HFAAMO CCc1cc(N2CCC([N@H+]3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)nc(C)n1 ZINC000082135184 559040061 /nfs/dbraw/zinc/04/00/61/559040061.db2.gz WIYKBELHUPQVEV-LJQANCHMSA-N 1 1 422.577 2.740 50 0 HFAAMO O=C(Nc1ccc2c(c1)OCO2)N1CCN(c2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC000082230321 559042569 /nfs/dbraw/zinc/04/25/69/559042569.db2.gz GYYUNHZIOPOJRJ-UHFFFAOYSA-N 1 1 410.478 2.550 50 0 HFAAMO Cc1nc2cccnc2n1CC[NH+]1CCN(C(=O)Nc2ccc(F)cc2F)CC1 ZINC000033282076 559044966 /nfs/dbraw/zinc/04/49/66/559044966.db2.gz GZSNVGGHILDKFK-UHFFFAOYSA-N 1 1 400.433 2.868 50 0 HFAAMO CC[NH+]1CCN(C(=O)c2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2)CC1 ZINC000004748663 559048692 /nfs/dbraw/zinc/04/86/92/559048692.db2.gz JKARZBSRTALURC-UHFFFAOYSA-N 1 1 401.532 2.882 50 0 HFAAMO COCC[N@@H+](C)C[C@@H]1CN(C(=O)c2ccccc2-c2ccccc2F)C[C@@H]1CO ZINC000091872007 559074281 /nfs/dbraw/zinc/07/42/81/559074281.db2.gz OFJASKJMROIBNG-QZTJIDSGSA-N 1 1 400.494 2.751 50 0 HFAAMO CCOc1cc2c(cc1C[N@H+]1CC[C@@]3(O)CCN(C(=O)N(C)C)C[C@H]3C1)CCC2 ZINC000095387665 559080685 /nfs/dbraw/zinc/08/06/85/559080685.db2.gz ZCRCOWNYBOFDIU-NFBKMPQASA-N 1 1 401.551 2.514 50 0 HFAAMO CN1CCN(C[C@H](O)COc2ccc(C[NH+]3CCC(C(C)(C)C)CC3)cc2)CC1 ZINC000095531750 559087078 /nfs/dbraw/zinc/08/70/78/559087078.db2.gz DWFJADBHJBRDTB-QFIPXVFZSA-N 1 1 403.611 2.932 50 0 HFAAMO CC[NH+]1CCN(C(=O)c2ccccc2N2CCC(NC(=O)CC(C)(C)C)CC2)CC1 ZINC000037276966 559115428 /nfs/dbraw/zinc/11/54/28/559115428.db2.gz PUOQDCFCGDEWJQ-UHFFFAOYSA-N 1 1 414.594 2.986 50 0 HFAAMO O=C1C[C@@H]([NH2+]Cc2ccc3c(c2)OCO3)C(=O)N1c1ccc(OC(F)(F)F)cc1 ZINC000100660576 559137539 /nfs/dbraw/zinc/13/75/39/559137539.db2.gz JDQMTYZDNBPEHO-CQSZACIVSA-N 1 1 408.332 2.736 50 0 HFAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)Cn1ncc2c3ccccc3n(C)c2c1=O ZINC000004916188 559204204 /nfs/dbraw/zinc/20/42/04/559204204.db2.gz WPOIXYDRVKFVRD-KRWDZBQOSA-N 1 1 409.534 2.659 50 0 HFAAMO C[C@H]1C[C@H](C)C[NH+](Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CCCc2ccccc2)C1 ZINC000004930573 559209619 /nfs/dbraw/zinc/20/96/19/559209619.db2.gz TWOOJURSWBWXSC-ROUUACIJSA-N 1 1 423.561 2.544 50 0 HFAAMO CCCC[N@@H+](CC)CCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CCC1 ZINC000004971555 559220639 /nfs/dbraw/zinc/22/06/39/559220639.db2.gz FHKOGVRCCGEHDC-UHFFFAOYSA-N 1 1 407.580 2.776 50 0 HFAAMO Cn1c(=O)cc(OCCCC(=O)NCC[N@@H+](C)Cc2ccccc2)c2ccccc21 ZINC000005067869 559240262 /nfs/dbraw/zinc/24/02/62/559240262.db2.gz NIJRNSLXXFDTJY-UHFFFAOYSA-N 1 1 407.514 2.946 50 0 HFAAMO CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2c2cc(OC)ccc2OC)C1 ZINC000248317555 559270538 /nfs/dbraw/zinc/27/05/38/559270538.db2.gz NFTRSCAXXPGNKG-LPHOPBHVSA-N 1 1 404.507 2.642 50 0 HFAAMO CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+]2CCC[C@H]2c2cc(OC)ccc2OC)C1 ZINC000248317555 559270539 /nfs/dbraw/zinc/27/05/39/559270539.db2.gz NFTRSCAXXPGNKG-LPHOPBHVSA-N 1 1 404.507 2.642 50 0 HFAAMO CC[N@H+]1CC[C@@H](CNC(=O)c2csc3c2CCN(Cc2c(C)noc2C)C3)C1 ZINC000426490365 559271838 /nfs/dbraw/zinc/27/18/38/559271838.db2.gz BCYBUJJJSDNDHQ-INIZCTEOSA-N 1 1 402.564 2.983 50 0 HFAAMO O=S(=O)(CCc1ccccc1)NC[C@@H](c1ccc2c(c1)OCO2)[NH+]1CCCC1 ZINC000012197491 560891888 /nfs/dbraw/zinc/89/18/88/560891888.db2.gz KYEOPRCMLYGLKJ-IBGZPJMESA-N 1 1 402.516 2.714 50 0 HFAAMO O=C(Nc1cccc(Cn2cccnc2=O)c1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000047732907 568431109 /nfs/dbraw/zinc/43/11/09/568431109.db2.gz MLKWYWLWFGUSAF-OAQYLSRUSA-N 1 1 403.486 2.688 50 0 HFAAMO CCCn1c2ccccc2n(CC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1=O ZINC000048290801 568435200 /nfs/dbraw/zinc/43/52/00/568435200.db2.gz AWKKWPPLFVVFFL-HXUWFJFHSA-N 1 1 406.530 2.994 50 0 HFAAMO CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)S(=O)(=O)c1ccc(C)c(F)c1 ZINC000048309662 568436544 /nfs/dbraw/zinc/43/65/44/568436544.db2.gz PGSGVRHIAULANQ-INIZCTEOSA-N 1 1 400.516 2.562 50 0 HFAAMO C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)C2CCN(C(=O)C3CC3)CC2)C[C@H](C)O1 ZINC000048361307 568441245 /nfs/dbraw/zinc/44/12/45/568441245.db2.gz XYQSEWOBJICULW-HDICACEKSA-N 1 1 413.562 2.561 50 0 HFAAMO C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)C2CCN(C(=O)C3CC3)CC2)C[C@H](C)O1 ZINC000048361307 568441246 /nfs/dbraw/zinc/44/12/46/568441246.db2.gz XYQSEWOBJICULW-HDICACEKSA-N 1 1 413.562 2.561 50 0 HFAAMO CC(=O)Nc1ccc(SCCCC(=O)N2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000021148916 568461842 /nfs/dbraw/zinc/46/18/42/568461842.db2.gz JPFPOMQPPRAZHQ-UHFFFAOYSA-N 1 1 413.547 2.652 50 0 HFAAMO CN(C(=O)c1n[nH]c(=O)c2ccccc21)[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012302117 568464146 /nfs/dbraw/zinc/46/41/46/568464146.db2.gz YIVAJIZCHWSGAT-SFHVURJKSA-N 1 1 402.498 2.627 50 0 HFAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)NC[C@H]1COc2ccccc2O1 ZINC000604405602 568492626 /nfs/dbraw/zinc/49/26/26/568492626.db2.gz RUEWZYYBAMNKLQ-SLFFLAALSA-N 1 1 417.550 2.749 50 0 biogenic HFAAMO COc1ccc(CC(=O)N[C@H](C)[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc1OC ZINC000020287835 568597150 /nfs/dbraw/zinc/59/71/50/568597150.db2.gz UVYUTUBYUCIFBP-ZHRRBRCNSA-N 1 1 417.575 2.801 50 0 HFAAMO COc1ccc(CC(=O)N[C@H](C)[C@@H](c2cccs2)[NH+]2CCN(C)CC2)cc1OC ZINC000020287835 568597151 /nfs/dbraw/zinc/59/71/51/568597151.db2.gz UVYUTUBYUCIFBP-ZHRRBRCNSA-N 1 1 417.575 2.801 50 0 HFAAMO CC(C)CNC(=O)c1ccc(NC(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)cc1Cl ZINC000095406051 568606146 /nfs/dbraw/zinc/60/61/46/568606146.db2.gz BDFABTFVFOQPNA-HUUCEWRRSA-N 1 1 410.946 2.645 50 0 HFAAMO CC(C)CNC(=O)c1ccc(NC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)cc1Cl ZINC000095406051 568606147 /nfs/dbraw/zinc/60/61/47/568606147.db2.gz BDFABTFVFOQPNA-HUUCEWRRSA-N 1 1 410.946 2.645 50 0 HFAAMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000095407517 568606376 /nfs/dbraw/zinc/60/63/76/568606376.db2.gz KROSTEAXRXFXIJ-DLBZAZTESA-N 1 1 406.552 2.562 50 0 HFAAMO CCOc1cc(C[N@H+]2CCC[C@H](C(N)=O)C2)ccc1OCC(=O)N(C(C)C)C(C)C ZINC000095430330 568608979 /nfs/dbraw/zinc/60/89/79/568608979.db2.gz QPRHZUBIKWIECO-IBGZPJMESA-N 1 1 419.566 2.807 50 0 HFAAMO O=C(CCNC(=O)OCC(F)(F)F)O[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000095456234 568617369 /nfs/dbraw/zinc/61/73/69/568617369.db2.gz PHLRJAWGADACIS-KRWDZBQOSA-N 1 1 414.424 2.971 50 0 HFAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)CCn1c(=O)c2cccn2c2cccnc21 ZINC000020512699 568621983 /nfs/dbraw/zinc/62/19/83/568621983.db2.gz CHZQRNHJNBSEJQ-SFHVURJKSA-N 1 1 409.534 2.810 50 0 HFAAMO CCN1CC[NH+](CCCNC(=O)c2ccc(C[S@](=O)c3cccc(C)c3)o2)CC1 ZINC000020514531 568622562 /nfs/dbraw/zinc/62/25/62/568622562.db2.gz XHLXSUPSGXZYMH-GDLZYMKVSA-N 1 1 417.575 2.653 50 0 HFAAMO Cc1oc2cc3oc(=O)c(CC(=O)NCCC[NH+]4CCOCC4)c(C)c3cc2c1C ZINC000020612244 568637464 /nfs/dbraw/zinc/63/74/64/568637464.db2.gz BULNGLGPSLZFPE-UHFFFAOYSA-N 1 1 412.486 2.845 50 0 biogenic HFAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc(/C=C2\Oc3ccccc3NC2=O)cc1 ZINC000020730362 568640817 /nfs/dbraw/zinc/64/08/17/568640817.db2.gz VTBYTICBJWSLEJ-PGMHBOJBSA-N 1 1 407.470 2.511 50 0 HFAAMO CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)[N@@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000225518906 568646145 /nfs/dbraw/zinc/64/61/45/568646145.db2.gz BTLTWPXPGIDNCO-NQIIRXRSSA-N 1 1 424.545 2.721 50 0 HFAAMO CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)[N@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000225518906 568646147 /nfs/dbraw/zinc/64/61/47/568646147.db2.gz BTLTWPXPGIDNCO-NQIIRXRSSA-N 1 1 424.545 2.721 50 0 HFAAMO Cc1cc2c(cc3c(=O)n(CCCC(=O)NCC[N@@H+]4CCCC[C@@H]4C)nc(C)n23)o1 ZINC000020862244 568646208 /nfs/dbraw/zinc/64/62/08/568646208.db2.gz MGCUVPCBRDGHSE-HNNXBMFYSA-N 1 1 413.522 2.630 50 0 HFAAMO CC(C)C(=O)N[C@@H]1CCC[N@H+](CCNC(=O)NC(C)(C)COCc2ccccc2)C1 ZINC000225637143 568659225 /nfs/dbraw/zinc/65/92/25/568659225.db2.gz IIQJJNATYXUZOF-HXUWFJFHSA-N 1 1 418.582 2.518 50 0 HFAAMO CC(C)C(=O)N[C@@H]1CCC[N@@H+](CCNC(=O)NC(C)(C)COCc2ccccc2)C1 ZINC000225637143 568659228 /nfs/dbraw/zinc/65/92/28/568659228.db2.gz IIQJJNATYXUZOF-HXUWFJFHSA-N 1 1 418.582 2.518 50 0 HFAAMO CC(C)[C@H](NS(=O)(=O)c1cccs1)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000021052358 568660957 /nfs/dbraw/zinc/66/09/57/568660957.db2.gz CGXZKJSYGZZSDM-SFHVURJKSA-N 1 1 415.625 2.822 50 0 HFAAMO C[N@@H+](Cc1nc(-c2cc(Br)cs2)no1)C1(CCO)CCOCC1 ZINC000095995987 568678921 /nfs/dbraw/zinc/67/89/21/568678921.db2.gz DARLZOAAHDYPAN-UHFFFAOYSA-N 1 1 402.314 2.924 50 0 HFAAMO CCOC(=O)[C@@H]1[C@@H](C[NH2+][C@H](c2nccn2C)c2cc(OC)cc(OC)c2)C1(C)C ZINC000096009250 568683676 /nfs/dbraw/zinc/68/36/76/568683676.db2.gz NQTKECHZWBRCNF-QYZOEREBSA-N 1 1 401.507 2.952 50 0 HFAAMO COc1ccc(OC)c(COC[C@@H](O)C[NH+]2CCN(c3ccccc3F)CC2)c1 ZINC000012420288 568720429 /nfs/dbraw/zinc/72/04/29/568720429.db2.gz MPNXBMXKSPLUAD-SFHVURJKSA-N 1 1 404.482 2.543 50 0 HFAAMO CNC(=O)Cc1noc(C[N@H+](Cc2ccc(OC)c(OC)c2)[C@H]2CCCC[C@@H]2C)n1 ZINC000557226697 568736577 /nfs/dbraw/zinc/73/65/77/568736577.db2.gz RSPGZNOMVHSSNX-RDJZCZTQSA-N 1 1 416.522 2.956 50 0 HFAAMO CNC(=O)Cc1noc(C[N@@H+](Cc2ccc(OC)c(OC)c2)[C@H]2CCCC[C@@H]2C)n1 ZINC000557226697 568736580 /nfs/dbraw/zinc/73/65/80/568736580.db2.gz RSPGZNOMVHSSNX-RDJZCZTQSA-N 1 1 416.522 2.956 50 0 HFAAMO Cc1ccc(C)c(NC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]c(C)n3)CC2)c1 ZINC000021795248 568753879 /nfs/dbraw/zinc/75/38/79/568753879.db2.gz WMROGALQALDZMP-UHFFFAOYSA-N 1 1 410.522 2.593 50 0 HFAAMO CC[NH+]1CCN(c2nnc(-n3cccc3CNc3ccc4c(c3)OCO4)s2)CC1 ZINC000021880889 568757092 /nfs/dbraw/zinc/75/70/92/568757092.db2.gz BCWDUBIEUKBWIU-UHFFFAOYSA-N 1 1 412.519 2.812 50 0 HFAAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)Cn1nnc(-c2ccccc2F)n1 ZINC000001074150 568768561 /nfs/dbraw/zinc/76/85/61/568768561.db2.gz FSCVDPOZJLMSOL-YLJYHZDGSA-N 1 1 406.465 2.622 50 0 HFAAMO Cc1ccccc1[C@@H]1CC[N@@H+](CCNC(=O)c2cn(Cc3ccc(F)cc3)nn2)C1 ZINC000012571651 568862219 /nfs/dbraw/zinc/86/22/19/568862219.db2.gz IHBAKBRDJQLABU-LJQANCHMSA-N 1 1 407.493 2.993 50 0 HFAAMO Cc1c2cc(Cl)ccc2sc1S(=O)(=O)NCCC[N@H+]1CCC[C@@H](O)C1 ZINC000670438232 568883570 /nfs/dbraw/zinc/88/35/70/568883570.db2.gz WLHUUPFRESKHAL-CQSZACIVSA-N 1 1 402.969 2.988 50 0 HFAAMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)c2ccc(OCc3ccccc3)cc2)CC1 ZINC000058156239 568893041 /nfs/dbraw/zinc/89/30/41/568893041.db2.gz DRJGHVYWSSFLLY-JOCHJYFZSA-N 1 1 407.514 2.820 50 0 HFAAMO CCOC(=O)c1c(NC(=O)C[N@@H+]2CCCC[C@@H]2CC(N)=O)sc2c1CC[C@@H](C)C2 ZINC000058159977 568894123 /nfs/dbraw/zinc/89/41/23/568894123.db2.gz YWDGFNXCIAZBNC-ZIAGYGMSSA-N 1 1 421.563 2.718 50 0 HFAAMO CCOC(=O)c1c(NC(=O)C[N@H+]2CCCC[C@@H]2CC(N)=O)sc2c1CC[C@@H](C)C2 ZINC000058159977 568894125 /nfs/dbraw/zinc/89/41/25/568894125.db2.gz YWDGFNXCIAZBNC-ZIAGYGMSSA-N 1 1 421.563 2.718 50 0 HFAAMO O=C(Cc1c(F)cccc1Cl)N[C@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000670448422 568919598 /nfs/dbraw/zinc/91/95/98/568919598.db2.gz ARINLJPOPIUHLY-HESYMAFGSA-N 1 1 413.924 2.705 50 0 HFAAMO COc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[N@H+](C(C)C)C3)c(OC)c1 ZINC000004087065 568940690 /nfs/dbraw/zinc/94/06/90/568940690.db2.gz UQQWXHZNLRRLJC-UHFFFAOYSA-N 1 1 403.504 2.883 50 0 HFAAMO COc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[N@@H+](C(C)C)C3)c(OC)c1 ZINC000004087065 568940692 /nfs/dbraw/zinc/94/06/92/568940692.db2.gz UQQWXHZNLRRLJC-UHFFFAOYSA-N 1 1 403.504 2.883 50 0 HFAAMO COc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[N@H+](C(C)C)C3)cc1OC ZINC000004087071 568940880 /nfs/dbraw/zinc/94/08/80/568940880.db2.gz DHUXUCMMWCQBFS-UHFFFAOYSA-N 1 1 403.504 2.883 50 0 HFAAMO COc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[N@@H+](C(C)C)C3)cc1OC ZINC000004087071 568940881 /nfs/dbraw/zinc/94/08/81/568940881.db2.gz DHUXUCMMWCQBFS-UHFFFAOYSA-N 1 1 403.504 2.883 50 0 HFAAMO O=C(C[NH+]1CCC([C@H](O)c2ccccc2)CC1)Nc1cccc(C(=O)NC2CC2)c1 ZINC000012754453 568942314 /nfs/dbraw/zinc/94/23/14/568942314.db2.gz SYVOWPALQSPMEO-HSZRJFAPSA-N 1 1 407.514 2.963 50 0 HFAAMO O=C(CCc1nc2ccccc2[nH]c1=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000670461978 568953132 /nfs/dbraw/zinc/95/31/32/568953132.db2.gz WEFDAVDIEDFGFY-QGZVFWFLSA-N 1 1 408.477 2.776 50 0 HFAAMO O=C(CCc1nc2ccccc2[nH]c1=O)N[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000670461978 568953133 /nfs/dbraw/zinc/95/31/33/568953133.db2.gz WEFDAVDIEDFGFY-QGZVFWFLSA-N 1 1 408.477 2.776 50 0 HFAAMO C[C@H]1C[C@H](C)C[NH+](Cc2nc3c(c(=O)n(C)c(=O)n3C)n2C/C=C/c2ccccc2)C1 ZINC000004314035 568961294 /nfs/dbraw/zinc/96/12/94/568961294.db2.gz DVZNEGHPWFZBIS-ITGUVEJCSA-N 1 1 421.545 2.625 50 0 HFAAMO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000007987622 568965309 /nfs/dbraw/zinc/96/53/09/568965309.db2.gz INFGNOVSRDDNEM-INIZCTEOSA-N 1 1 421.950 2.595 50 0 HFAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)c2ccc(CN3c4ccnn4CCC3=O)cc2)C1 ZINC000015724294 568977701 /nfs/dbraw/zinc/97/77/01/568977701.db2.gz CDJLLHTXDBHXQW-GOSISDBHSA-N 1 1 409.534 2.672 50 0 HFAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1c(C)oc2ncnc(N3CCOCC3)c21 ZINC000015727689 568978677 /nfs/dbraw/zinc/97/86/77/568978677.db2.gz FKHSDNQHYHLJIF-KRWDZBQOSA-N 1 1 415.538 2.752 50 0 HFAAMO O=C(N[C@@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3)c1scc2c1CCCC2 ZINC000670471134 568998188 /nfs/dbraw/zinc/99/81/88/568998188.db2.gz QXDBLTYGCVODLP-NBTXJNEHSA-N 1 1 407.583 2.924 50 0 HFAAMO Cc1ccc(C[N@@H+]2CCc3nnc([C@@H](NC(=O)[C@H]4CCOC4)C(C)C)n3CC2)s1 ZINC000020166970 569007923 /nfs/dbraw/zinc/00/79/23/569007923.db2.gz XUZIYTXDVCZTOG-LPHOPBHVSA-N 1 1 417.579 2.556 50 0 HFAAMO COc1ccc(C[N@H+]2CCN(Cc3ccc4c(c3)OCCO4)C[C@H]2CCO)cc1C ZINC000104503452 569008854 /nfs/dbraw/zinc/00/88/54/569008854.db2.gz MLIDYSFHDCCXGU-OAQYLSRUSA-N 1 1 412.530 2.844 50 0 HFAAMO CC(C)[NH+]1CCC(N2CCN(Cc3cccc(-n4cccn4)c3)C[C@H]2CCO)CC1 ZINC000104526085 569008943 /nfs/dbraw/zinc/00/89/43/569008943.db2.gz XTLWVZOVNBAYFT-XMMPIXPASA-N 1 1 411.594 2.614 50 0 HFAAMO CCOC(=O)c1sc(NC(=O)C[NH2+]Cc2cccnc2)c(C(=O)OCC)c1C ZINC000053387440 569030531 /nfs/dbraw/zinc/03/05/31/569030531.db2.gz PWQKRMWCFSLSMW-UHFFFAOYSA-N 1 1 405.476 2.533 50 0 HFAAMO Cc1cccc(NC(=O)CN(C)CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000012819469 569040440 /nfs/dbraw/zinc/04/04/40/569040440.db2.gz RWFLLQVEBRJKSA-UHFFFAOYSA-N 1 1 408.546 2.518 50 0 HFAAMO COC(=O)c1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1 ZINC000229722352 569040618 /nfs/dbraw/zinc/04/06/18/569040618.db2.gz XEHVGTSCNJTDLS-UYAOXDASSA-N 1 1 412.486 2.564 50 0 HFAAMO CC(=O)N1CCCSc2ccc(S(=O)(=O)N3CC[NH+](C4CCCC4)CC3)cc21 ZINC000035504667 569040756 /nfs/dbraw/zinc/04/07/56/569040756.db2.gz WFOUCGIHBCKCEB-UHFFFAOYSA-N 1 1 423.604 2.784 50 0 HFAAMO NC(=O)C[C@H](c1cc(F)c(F)c(F)c1)c1oc(C[NH+]2CCCCC2)cc(=O)c1O ZINC000253409743 569051421 /nfs/dbraw/zinc/05/14/21/569051421.db2.gz MIIVGOIVTHTSMS-CYBMUJFWSA-N 1 1 410.392 2.756 50 0 HFAAMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000241231054 569054705 /nfs/dbraw/zinc/05/47/05/569054705.db2.gz KROSTEAXRXFXIJ-IRXDYDNUSA-N 1 1 406.552 2.562 50 0 HFAAMO Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000248335443 569057677 /nfs/dbraw/zinc/05/76/77/569057677.db2.gz MWHGJMCVJKVUHD-RAZUEPIFSA-N 1 1 419.456 2.874 50 0 HFAAMO COc1ccc(F)c(CN2CCC[C@]3(CC[N@@H+](CCC(=O)NC(C)C)C3)C2=O)c1 ZINC000426430996 569072924 /nfs/dbraw/zinc/07/29/24/569072924.db2.gz GTJMMTQAKTVKTJ-JOCHJYFZSA-N 1 1 405.514 2.564 50 0 HFAAMO CCOC(=O)C1=C(C[NH+]2CCCCC2)N(C)C(=O)N[C@H]1c1cc(OC)ccc1OC ZINC000035991179 569074560 /nfs/dbraw/zinc/07/45/60/569074560.db2.gz WPBXCKQAGLUAQM-FQEVSTJZSA-N 1 1 417.506 2.703 50 0 HFAAMO CCOC(=O)C1=C(C[NH+]2CCCCC2)N(C)C(=O)N[C@H]1c1ccc(OC)cc1OC ZINC000035991131 569074620 /nfs/dbraw/zinc/07/46/20/569074620.db2.gz NQZNBBNMFKTIBV-FQEVSTJZSA-N 1 1 417.506 2.703 50 0 HFAAMO Cc1ccc(C[N@H+](CCN2CCOCC2)C[C@@H](O)COc2ccc(Cl)cc2)o1 ZINC000036097501 569090290 /nfs/dbraw/zinc/09/02/90/569090290.db2.gz LHJMBDKTNPRQBX-LJQANCHMSA-N 1 1 408.926 2.816 50 0 HFAAMO Cc1ccc(C[N@@H+](CCN2CCOCC2)C[C@@H](O)COc2ccc(Cl)cc2)o1 ZINC000036097501 569090292 /nfs/dbraw/zinc/09/02/92/569090292.db2.gz LHJMBDKTNPRQBX-LJQANCHMSA-N 1 1 408.926 2.816 50 0 HFAAMO COc1ccc(OC[C@H](O)C[N@@H+](CCN2CCOCC2)Cc2ccc(C)cc2)cc1 ZINC000036101704 569091615 /nfs/dbraw/zinc/09/16/15/569091615.db2.gz DNSUBAKPBUQCNI-JOCHJYFZSA-N 1 1 414.546 2.578 50 0 HFAAMO C[C@H](C(=O)NCCC[N@H+]1CCCC[C@@H]1C)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064776039 569093705 /nfs/dbraw/zinc/09/37/05/569093705.db2.gz IYKGCPCNEAIARP-DLBZAZTESA-N 1 1 409.534 2.830 50 0 HFAAMO Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)c3ccc4c(c3)nc(C)c(=O)n4C)C2)cc1 ZINC000064858963 569109323 /nfs/dbraw/zinc/10/93/23/569109323.db2.gz FGVMFEKGLMSAOL-LJQANCHMSA-N 1 1 404.514 2.802 50 0 HFAAMO Cc1nc(C)c(Cc2cccc(F)c2)c(N2CC[NH+](C[C@@H](O)COC(C)C)CC2)n1 ZINC000036340165 569141524 /nfs/dbraw/zinc/14/15/24/569141524.db2.gz LSKJEFYTMHLPQA-OAQYLSRUSA-N 1 1 416.541 2.731 50 0 HFAAMO Cc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000036343053 569142209 /nfs/dbraw/zinc/14/22/09/569142209.db2.gz YATUQRRLOLSWCE-QFIPXVFZSA-N 1 1 404.514 2.870 50 0 HFAAMO C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000036386357 569160180 /nfs/dbraw/zinc/16/01/80/569160180.db2.gz BPDWURUGTBZNBM-ACJLOTCBSA-N 1 1 408.458 2.792 50 0 HFAAMO C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000036386357 569160181 /nfs/dbraw/zinc/16/01/81/569160181.db2.gz BPDWURUGTBZNBM-ACJLOTCBSA-N 1 1 408.458 2.792 50 0 HFAAMO C[C@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000036437867 569182448 /nfs/dbraw/zinc/18/24/48/569182448.db2.gz YDABSCSTZGPFIA-HZSPNIEDSA-N 1 1 401.960 2.895 50 0 HFAAMO CC(C)[NH+]1CCN(C(=O)c2ccc3c(c2)nc2n3CCN(C3CCCCC3)C2=O)CC1 ZINC000065172597 569189893 /nfs/dbraw/zinc/18/98/93/569189893.db2.gz QYVRFXKHCBDIGR-UHFFFAOYSA-N 1 1 423.561 2.991 50 0 HFAAMO CC[NH+]1CCN(C(=O)[C@@H]2CCCN(c3ncccc3-c3noc(C4CCC4)n3)C2)CC1 ZINC000065227852 569199127 /nfs/dbraw/zinc/19/91/27/569199127.db2.gz PLCQZMGIQQTSOO-GOSISDBHSA-N 1 1 424.549 2.780 50 0 HFAAMO COc1ccc(C[N@H+](C)C[C@H](O)COc2ccc(C(C)=O)cc2OC)c(OC)c1 ZINC000007060521 569214101 /nfs/dbraw/zinc/21/41/01/569214101.db2.gz UCFRCDSEDMADQS-SFHVURJKSA-N 1 1 403.475 2.787 50 0 HFAAMO COc1ccc(C[N@@H+](C)C[C@H](O)COc2ccc(C(C)=O)cc2OC)c(OC)c1 ZINC000007060521 569214103 /nfs/dbraw/zinc/21/41/03/569214103.db2.gz UCFRCDSEDMADQS-SFHVURJKSA-N 1 1 403.475 2.787 50 0 HFAAMO Cc1oc2c(c1C(=O)NCCC[NH+]1CCOCC1)CN(Cc1ccc(F)cc1)CC2 ZINC000065289731 569218015 /nfs/dbraw/zinc/21/80/15/569218015.db2.gz OGZNTOGRXNMZIH-UHFFFAOYSA-N 1 1 415.509 2.738 50 0 HFAAMO CC[C@@H]1C[N@@H+](CC(C)(C)O)[C@H](CC)CN1CC(=O)Nc1cc(OC)cc(OC)c1 ZINC000170607314 569244601 /nfs/dbraw/zinc/24/46/01/569244601.db2.gz AYBBIUXAAWOESG-QZTJIDSGSA-N 1 1 407.555 2.588 50 0 HFAAMO CC[C@@H]1CN(C(=O)Nc2ccc(-n3nccn3)cc2)[C@@H](CC)C[N@H+]1CC(C)(C)O ZINC000170619527 569248329 /nfs/dbraw/zinc/24/83/29/569248329.db2.gz PJCJLBWSTCSOOH-MSOLQXFVSA-N 1 1 400.527 2.745 50 0 HFAAMO O=C(NCCC[N@@H+]1CCO[C@@H](c2ccccc2)C1)C(=O)NCc1ccc(Cl)cc1 ZINC000017178480 569276334 /nfs/dbraw/zinc/27/63/34/569276334.db2.gz LPBRYJGRDRLQDO-HXUWFJFHSA-N 1 1 415.921 2.536 50 0 HFAAMO O=C(NCCC[N@H+]1CCO[C@@H](c2ccccc2)C1)C(=O)NCc1ccc(Cl)cc1 ZINC000017178480 569276336 /nfs/dbraw/zinc/27/63/36/569276336.db2.gz LPBRYJGRDRLQDO-HXUWFJFHSA-N 1 1 415.921 2.536 50 0 HFAAMO COc1cc(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc(Br)c1O ZINC000002126271 569286203 /nfs/dbraw/zinc/28/62/03/569286203.db2.gz CFDBOLQTHZTVLZ-UONOGXRCSA-N 1 1 405.292 2.944 50 0 biogenic HFAAMO COc1cc([C@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)NCc2ccco2)ccc1O ZINC000015956882 569357183 /nfs/dbraw/zinc/35/71/83/569357183.db2.gz USKDJLYEQAFBEQ-YFXJRYMSSA-N 1 1 414.502 2.978 50 0 biogenic HFAAMO COc1cc([C@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)NCc2ccco2)ccc1O ZINC000015956882 569357184 /nfs/dbraw/zinc/35/71/84/569357184.db2.gz USKDJLYEQAFBEQ-YFXJRYMSSA-N 1 1 414.502 2.978 50 0 biogenic HFAAMO Cc1nc(S(=O)(=O)N2CC[N@H+](Cc3ccccc3)C3(CCCCC3)C2)cn1C ZINC000078967335 569422217 /nfs/dbraw/zinc/42/22/17/569422217.db2.gz JBEGNLXYVTUOGO-UHFFFAOYSA-N 1 1 402.564 2.938 50 0 HFAAMO Cc1nc(S(=O)(=O)N2CC[N@@H+](Cc3ccccc3)C3(CCCCC3)C2)cn1C ZINC000078967335 569422219 /nfs/dbraw/zinc/42/22/19/569422219.db2.gz JBEGNLXYVTUOGO-UHFFFAOYSA-N 1 1 402.564 2.938 50 0 HFAAMO COC(=O)c1ccoc1CN1CCC[C@H]2C[N@H+](Cc3occc3C(=O)OC)C[C@H]21 ZINC000078969680 569422475 /nfs/dbraw/zinc/42/24/75/569422475.db2.gz IBHPLTMXHKWDFY-WMLDXEAASA-N 1 1 402.447 2.542 50 0 HFAAMO COC(=O)c1ccoc1CN1CCC[C@H]2C[N@@H+](Cc3occc3C(=O)OC)C[C@H]21 ZINC000078969680 569422476 /nfs/dbraw/zinc/42/24/76/569422476.db2.gz IBHPLTMXHKWDFY-WMLDXEAASA-N 1 1 402.447 2.542 50 0 HFAAMO Cc1cc(=O)c(C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)nn1-c1cccc(C(F)(F)F)c1 ZINC000079057448 569426080 /nfs/dbraw/zinc/42/60/80/569426080.db2.gz VPCSRBPMWHSJJO-DOMZBBRYSA-N 1 1 420.435 2.915 50 0 HFAAMO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3cn(Cc4ccc(Cl)cc4)nn3)CC2)C[C@H](C)O1 ZINC000019758523 569429476 /nfs/dbraw/zinc/42/94/76/569429476.db2.gz CBIBXNXLFZWPBC-IYBDPMFKSA-N 1 1 417.941 2.694 50 0 HFAAMO O=c1[nH]c2ccc(S(=O)(=O)NCC[N@H+]3CC[C@H](c4ccccc4)C3)cc2s1 ZINC000670474188 571109314 /nfs/dbraw/zinc/10/93/14/571109314.db2.gz RFWREZAHCFHAES-HNNXBMFYSA-N 1 1 403.529 2.770 50 0 HFAAMO COc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CCCN3C(=O)c3ccco3)CC2)cc1 ZINC000040086994 571157668 /nfs/dbraw/zinc/15/76/68/571157668.db2.gz WOLOWOVHANFCBP-HXUWFJFHSA-N 1 1 411.502 2.627 50 0 HFAAMO CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000040150363 571198792 /nfs/dbraw/zinc/19/87/92/571198792.db2.gz BEMDEJAHFTZUFJ-UHFFFAOYSA-N 1 1 417.557 2.951 50 0 HFAAMO C[C@@H](NC(=O)c1ccc(Br)o1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000040154929 571202433 /nfs/dbraw/zinc/20/24/33/571202433.db2.gz ZFCUJLBNGOSOAR-UKRRQHHQSA-N 1 1 420.307 2.551 50 0 HFAAMO COc1ccc(C[N@@H+](C[C@@H](O)COCc2ccco2)C[C@H]2CCCO2)cc1OC ZINC000245343630 571226108 /nfs/dbraw/zinc/22/61/08/571226108.db2.gz UROMPUZNUDCWCU-RTBURBONSA-N 1 1 405.491 2.856 50 0 HFAAMO O=C(NCCOc1ccccc1)NCC[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000077200786 571313192 /nfs/dbraw/zinc/31/31/92/571313192.db2.gz BZHSLSWRMTWKNH-UHFFFAOYSA-N 1 1 402.926 2.840 50 0 HFAAMO C[C@H]1C[C@H](N(C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000540634611 571317593 /nfs/dbraw/zinc/31/75/93/571317593.db2.gz SCKBOTGNFRIIMB-QFBILLFUSA-N 1 1 416.547 2.851 50 0 HFAAMO CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C[N@@H+]1CCC[C@@H](C)C1 ZINC000005568787 132306786 /nfs/dbraw/zinc/30/67/86/132306786.db2.gz OHNSADGRVLKAAF-QGZVFWFLSA-N 1 1 405.539 2.991 50 0 HFAAMO CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C[N@H+]1CCC[C@@H](C)C1 ZINC000005568787 132306787 /nfs/dbraw/zinc/30/67/87/132306787.db2.gz OHNSADGRVLKAAF-QGZVFWFLSA-N 1 1 405.539 2.991 50 0 HFAAMO CCn1cc(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)c(=O)c2ccc(C)nc21 ZINC000006822585 132318019 /nfs/dbraw/zinc/31/80/19/132318019.db2.gz RRSNTHVRXYGCIL-UHFFFAOYSA-N 1 1 405.502 2.729 50 0 HFAAMO Cc1cccc(N2CCN(C(=O)[C@@H]3CCC(=O)N(Cc4cccc(F)c4)C3)CC2)[nH+]1 ZINC000011839598 132351360 /nfs/dbraw/zinc/35/13/60/132351360.db2.gz FFTQCJUFZXPRQM-LJQANCHMSA-N 1 1 410.493 2.617 50 0 HFAAMO CC(C)C(=O)Nc1nc(CC(=O)N2CC[NH+](CCc3ccccc3)CC2)cs1 ZINC000044398271 519530426 /nfs/dbraw/zinc/53/04/26/519530426.db2.gz KOQWPTFUEYFCFM-UHFFFAOYSA-N 1 1 400.548 2.667 50 0 HFAAMO CCn1c(C[N@H+](C)CCOc2ccccc2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000023815094 523184952 /nfs/dbraw/zinc/18/49/52/523184952.db2.gz ANDRSBHTEKNCSM-UHFFFAOYSA-N 1 1 416.547 2.817 50 0 HFAAMO CCn1c(C[N@@H+](C)CCOc2ccccc2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000023815094 523184963 /nfs/dbraw/zinc/18/49/63/523184963.db2.gz ANDRSBHTEKNCSM-UHFFFAOYSA-N 1 1 416.547 2.817 50 0 HFAAMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)CNC(=O)COc2ccccc2)C1 ZINC000032930727 524095505 /nfs/dbraw/zinc/09/55/05/524095505.db2.gz MTCXJKONPSNBAM-IBGZPJMESA-N 1 1 409.530 2.730 50 0 HFAAMO C[C@H](CNC(=O)c1ccc(I)cc1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000032828398 524461514 /nfs/dbraw/zinc/46/15/14/524461514.db2.gz LDRFUFTZDPEKSX-JHJVBQTASA-N 1 1 402.276 2.519 50 0 HFAAMO Cc1c(C(=O)NCCC[NH+]2CCOCC2)oc2ccc3c(c12)[C@@H](O)CC(C)(C)O3 ZINC000020560071 525610224 /nfs/dbraw/zinc/61/02/24/525610224.db2.gz USQKNYWOVJBZFB-HNNXBMFYSA-N 1 1 402.491 2.788 50 0 HFAAMO CC1(C)CC(NC(=O)[C@@H]2CCCN(c3nc(Cl)nc4[nH]cnc43)C2)CC(C)(C)[NH2+]1 ZINC000008991426 535288355 /nfs/dbraw/zinc/28/83/55/535288355.db2.gz UFHSIEFSKZDWTL-GFCCVEGCSA-N 1 1 419.961 2.648 50 0 HFAAMO C[NH+](C)CCNC(=O)c1ccc(CN2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000034684566 557387620 /nfs/dbraw/zinc/38/76/20/557387620.db2.gz TUWFCKLLWYISAK-UHFFFAOYSA-N 1 1 400.954 2.954 50 0 HFAAMO Cc1ccc(CN2CCc3nc(N4CC[NH+](C)CC4)nc(N4CCCC4)c3C2)cc1 ZINC000034755406 557457869 /nfs/dbraw/zinc/45/78/69/557457869.db2.gz DKKPDIQLDPWKMH-UHFFFAOYSA-N 1 1 406.578 2.695 50 0 HFAAMO Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022796258 557823061 /nfs/dbraw/zinc/82/30/61/557823061.db2.gz XAPVICNMQFNELI-HXUWFJFHSA-N 1 1 408.546 2.564 50 0 HFAAMO CCOc1ccccc1C[N@@H+]1CCN(Cc2cnc(SC)nc2)C[C@@H]1CCO ZINC000019744236 558264746 /nfs/dbraw/zinc/26/47/46/558264746.db2.gz BSBBTILVHWMMCP-IBGZPJMESA-N 1 1 402.564 2.666 50 0 HFAAMO CCOc1ccccc1C[N@H+]1CCN(Cc2cnc(SC)nc2)C[C@@H]1CCO ZINC000019744236 558264748 /nfs/dbraw/zinc/26/47/48/558264748.db2.gz BSBBTILVHWMMCP-IBGZPJMESA-N 1 1 402.564 2.666 50 0 HFAAMO CCc1ccc(C[N@@H+]2CCc3nnc([C@@H](CC(C)C)NC(=O)COC)n3CC2)cc1 ZINC000019744830 558265204 /nfs/dbraw/zinc/26/52/04/558265204.db2.gz MIIFBBWZSATLIT-HXUWFJFHSA-N 1 1 413.566 2.749 50 0 HFAAMO COC(=O)c1c2c(sc1NC(=O)CN1CC[NH+](Cc3ccccc3)CC1)CCC2 ZINC000019797043 558284465 /nfs/dbraw/zinc/28/44/65/558284465.db2.gz LXJDPHRKHKYWND-UHFFFAOYSA-N 1 1 413.543 2.780 50 0 HFAAMO CCc1ccc(C[N@@H+]2CCc3nnc(CNC(=O)CCc4cccnc4)n3CC2)cc1 ZINC000019835679 558292860 /nfs/dbraw/zinc/29/28/60/558292860.db2.gz YKGGNNWOARGCQL-UHFFFAOYSA-N 1 1 418.545 2.543 50 0 HFAAMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2cc(OC)c(OC)c(OC)c2)C1 ZINC000011936327 558300285 /nfs/dbraw/zinc/30/02/85/558300285.db2.gz ASHUITJHAOQFGM-CQSZACIVSA-N 1 1 403.479 2.878 50 0 HFAAMO C[NH+](C)CCN(C[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)c1cnsn1 ZINC000011947361 558302363 /nfs/dbraw/zinc/30/23/63/558302363.db2.gz LOZVEKPLYJRKJR-INIZCTEOSA-N 1 1 405.543 2.593 50 0 HFAAMO CC(C)[C@H](NC(=O)c1ccccn1)c1nnc2n1CC[N@H+](Cc1ccccc1)CC2 ZINC000011976035 558305531 /nfs/dbraw/zinc/30/55/31/558305531.db2.gz RNIVPUQAMPQSDG-NRFANRHFSA-N 1 1 404.518 2.859 50 0 HFAAMO CCOC(=O)CN(C)Cc1ccc(OC[C@@H](O)C[N@@H+](C)C2CCCCC2)c(OC)c1 ZINC000012028647 558310640 /nfs/dbraw/zinc/31/06/40/558310640.db2.gz DXFGDTWKEHZSBL-FQEVSTJZSA-N 1 1 422.566 2.694 50 0 HFAAMO O=C([C@H]1CC(=O)N(CCc2ccc(F)cc2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020018882 558320760 /nfs/dbraw/zinc/32/07/60/558320760.db2.gz FITRURPRTCKAKY-NRFANRHFSA-N 1 1 409.505 2.561 50 0 HFAAMO CCOc1cc(C[N@@H+]2CCc3nnc([C@@H](NC(=O)CC)C(C)C)n3CC2)ccc1O ZINC000012131453 558332826 /nfs/dbraw/zinc/33/28/26/558332826.db2.gz LYXSJNIWOLJDMQ-NRFANRHFSA-N 1 1 415.538 2.664 50 0 HFAAMO COc1ccc(F)c(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)c4ccco4)n3CC2)c1 ZINC000020210764 558347549 /nfs/dbraw/zinc/34/75/49/558347549.db2.gz PZDUSVDCVSXEHO-CQSZACIVSA-N 1 1 413.453 2.568 50 0 HFAAMO COc1ccc(F)c(C[N@@H+]2CCc3nnc([C@@H](C)NC(=O)c4ccco4)n3CC2)c1 ZINC000020210764 558347551 /nfs/dbraw/zinc/34/75/51/558347551.db2.gz PZDUSVDCVSXEHO-CQSZACIVSA-N 1 1 413.453 2.568 50 0 HFAAMO Cc1cnc(CNC(=O)c2cccc(OC3CCN(C4CC[NH+](C)CC4)CC3)c2)cn1 ZINC000020449635 558364764 /nfs/dbraw/zinc/36/47/64/558364764.db2.gz LCKBOZJZNSRWDB-UHFFFAOYSA-N 1 1 423.561 2.652 50 0 HFAAMO O=C1CC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCO3)CCN1 ZINC000012315368 558378871 /nfs/dbraw/zinc/37/88/71/558378871.db2.gz APAVGOIMLMEGNQ-UHFFFAOYSA-N 1 1 404.470 2.649 50 0 HFAAMO CC[N@H+]1CC[C@@]2(CCN(C(=O)c3cc(Cn4cnc5cc(C)c(C)cc54)n[nH]3)C2)C1 ZINC000012315692 558379140 /nfs/dbraw/zinc/37/91/40/558379140.db2.gz WFCULNPDRLJCIF-HSZRJFAPSA-N 1 1 406.534 2.982 50 0 HFAAMO CC[NH+]1CCN(C(=O)CCC2CCN(C(=O)c3cccnc3SC)CC2)CC1 ZINC000020781045 558412880 /nfs/dbraw/zinc/41/28/80/558412880.db2.gz HTFBTHNVYVYJDA-UHFFFAOYSA-N 1 1 404.580 2.600 50 0 HFAAMO O=C(NCCc1nnc2n1CC[N@@H+](Cc1cc(F)cc(F)c1)CC2)C1CCCCC1 ZINC000020906593 558421198 /nfs/dbraw/zinc/42/11/98/558421198.db2.gz VDJXFZYLJHGVPB-UHFFFAOYSA-N 1 1 417.504 2.854 50 0 HFAAMO O=C(NCCc1nnc2n1CC[N@H+](Cc1cc(F)cc(F)c1)CC2)C1CCCCC1 ZINC000020906593 558421200 /nfs/dbraw/zinc/42/12/00/558421200.db2.gz VDJXFZYLJHGVPB-UHFFFAOYSA-N 1 1 417.504 2.854 50 0 HFAAMO c1cc(CN2CCN([C@@H]3CCC[N@H+](C4CCSCC4)C3)CC2)cc2c1OCO2 ZINC000020999044 558427770 /nfs/dbraw/zinc/42/77/70/558427770.db2.gz IPQZMGVWRDIQOH-HXUWFJFHSA-N 1 1 403.592 2.893 50 0 HFAAMO Cc1[nH+]ccn1Cc1nc2c(c(=O)[nH]c(=O)n2Cc2ccccc2)n1CCC(C)C ZINC000012627401 558440261 /nfs/dbraw/zinc/44/02/61/558440261.db2.gz XHSQHKWIABJOJJ-UHFFFAOYSA-N 1 1 406.490 2.534 50 0 HFAAMO COc1ccc(C[N@H+](CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)C2CC2)cc1 ZINC000021582915 558442196 /nfs/dbraw/zinc/44/21/96/558442196.db2.gz PTZCIDJRWNTJNV-UHFFFAOYSA-N 1 1 403.429 2.693 50 0 HFAAMO COc1ccc(C[N@@H+](CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)C2CC2)cc1 ZINC000021582915 558442198 /nfs/dbraw/zinc/44/21/98/558442198.db2.gz PTZCIDJRWNTJNV-UHFFFAOYSA-N 1 1 403.429 2.693 50 0 HFAAMO O=C(CC[NH+]1CCN(CC(=O)N2CCCC2)CC1)Nc1cc(Cl)ccc1Cl ZINC000022199563 558466332 /nfs/dbraw/zinc/46/63/32/558466332.db2.gz OFPDOSZOSLWCRU-UHFFFAOYSA-N 1 1 413.349 2.562 50 0 HFAAMO C[C@H](Nc1cccc(C(=O)NC2CC2)c1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012798114 558470233 /nfs/dbraw/zinc/47/02/33/558470233.db2.gz IIIIIWZQSZGQNV-SFHVURJKSA-N 1 1 406.530 2.724 50 0 HFAAMO CCC[NH+]1CCN(C(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)CC1 ZINC000013097151 558513336 /nfs/dbraw/zinc/51/33/36/558513336.db2.gz ALXKOMWOWMRGTO-UHFFFAOYSA-N 1 1 413.543 2.606 50 0 HFAAMO O=C(CC[NH+]1CCN(CC(=O)Nc2cccc(F)c2)CC1)Nc1ccccc1F ZINC000022931056 558524167 /nfs/dbraw/zinc/52/41/67/558524167.db2.gz OVLFBGWYRVBLIS-UHFFFAOYSA-N 1 1 402.445 2.550 50 0 HFAAMO O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000023182688 558540815 /nfs/dbraw/zinc/54/08/15/558540815.db2.gz VZNDQIRDQSINJJ-KDURUIRLSA-N 1 1 417.937 2.550 50 0 HFAAMO O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000023182688 558540819 /nfs/dbraw/zinc/54/08/19/558540819.db2.gz VZNDQIRDQSINJJ-KDURUIRLSA-N 1 1 417.937 2.550 50 0 HFAAMO COc1cc(NC(=O)[C@@H](C)N2CC[NH+](CCOc3ccccc3)CC2)cc(OC)c1 ZINC000023333883 558549733 /nfs/dbraw/zinc/54/97/33/558549733.db2.gz ZAQKNRHCCIOOAN-GOSISDBHSA-N 1 1 413.518 2.727 50 0 HFAAMO C[C@@H](c1ccon1)N(C)C(=O)c1coc(CN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000023359564 558551817 /nfs/dbraw/zinc/55/18/17/558551817.db2.gz MKJWHIQBVQPVPX-KRWDZBQOSA-N 1 1 409.490 2.814 50 0 HFAAMO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCC[N@@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000004437200 558559684 /nfs/dbraw/zinc/55/96/84/558559684.db2.gz RNZNIDGDOCXPQM-VQTJNVASSA-N 1 1 421.607 2.776 50 0 HFAAMO CC[NH+]1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)c(C)c2)CC1 ZINC000013682376 558567476 /nfs/dbraw/zinc/56/74/76/558567476.db2.gz YHZXMHGNRJZYDI-UHFFFAOYSA-N 1 1 401.532 2.882 50 0 HFAAMO Cc1nn(-c2cccc(Cl)c2)nc1C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000025407577 558640152 /nfs/dbraw/zinc/64/01/52/558640152.db2.gz NDFXBZFXTFCUOE-OKILXGFUSA-N 1 1 405.930 2.847 50 0 HFAAMO Cc1nn(-c2cccc(Cl)c2)nc1C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000025407577 558640154 /nfs/dbraw/zinc/64/01/54/558640154.db2.gz NDFXBZFXTFCUOE-OKILXGFUSA-N 1 1 405.930 2.847 50 0 HFAAMO CCc1ccccc1N1C[C@H](C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1=O ZINC000014237971 558642432 /nfs/dbraw/zinc/64/24/32/558642432.db2.gz SRZRHIBBQWEQGB-HXUWFJFHSA-N 1 1 413.562 2.753 50 0 HFAAMO COC(=O)c1ccc2c(c1)nc(CN1CCC[N@@H+](Cc3ccc(F)cc3)CC1)[nH]c2=O ZINC000025934743 558652647 /nfs/dbraw/zinc/65/26/47/558652647.db2.gz QOLZJCDPKMIQJP-UHFFFAOYSA-N 1 1 424.476 2.557 50 0 HFAAMO Cc1cccc(N2C[C@@H](C(=O)NC[C@H](CC(C)C)[NH+]3CCOCC3)CC2=O)c1C ZINC000026061652 558654457 /nfs/dbraw/zinc/65/44/57/558654457.db2.gz CTFILIBORFMBJC-PMACEKPBSA-N 1 1 401.551 2.519 50 0 HFAAMO CC(C)C[C@@H](CNC(=O)N1CCN(c2ccccc2Cl)CC1)[NH+]1CCOCC1 ZINC000026303949 558658885 /nfs/dbraw/zinc/65/88/85/558658885.db2.gz ZORUHYJJULFFGJ-SFHVURJKSA-N 1 1 408.974 2.919 50 0 HFAAMO Cc1nn(C)c(Cl)c1C[NH+]1CCC2(CC1)C(=O)N(Cc1ccccc1)C(=O)N2C ZINC000014742905 558667600 /nfs/dbraw/zinc/66/76/00/558667600.db2.gz KTDDRALYSJRXMY-UHFFFAOYSA-N 1 1 415.925 2.811 50 0 HFAAMO CCN1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)C(=O)c1ccccc1 ZINC000014959574 558683571 /nfs/dbraw/zinc/68/35/71/558683571.db2.gz ITJMJRGNTMGKJH-QFIPXVFZSA-N 1 1 415.578 2.541 50 0 HFAAMO C[C@H](C(=O)NC(N)=O)N1CC[NH+](Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000027903763 558684415 /nfs/dbraw/zinc/68/44/15/558684415.db2.gz MFWOLPWDHYAHKN-CYBMUJFWSA-N 1 1 406.939 2.770 50 0 HFAAMO CC(C)(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)[N@@H+]1CCc2ccccc2C1 ZINC000028059799 558690673 /nfs/dbraw/zinc/69/06/73/558690673.db2.gz GXWGZNCGRDBFBT-UHFFFAOYSA-N 1 1 416.543 2.963 50 0 HFAAMO CC(C)(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)[N@H+]1CCc2ccccc2C1 ZINC000028059799 558690676 /nfs/dbraw/zinc/69/06/76/558690676.db2.gz GXWGZNCGRDBFBT-UHFFFAOYSA-N 1 1 416.543 2.963 50 0 HFAAMO CC(C)Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)c3ccnc(-n4cnnn4)c3)C2)cc1 ZINC000015071709 558713351 /nfs/dbraw/zinc/71/33/51/558713351.db2.gz OYWWYMPTUQFCNH-OAQYLSRUSA-N 1 1 419.533 2.650 50 0 HFAAMO COc1ccc2c(c1)C[C@@H](C(=O)NCCC[NH+]1CCN(Cc3ccccc3)CC1)CO2 ZINC000022937993 558728278 /nfs/dbraw/zinc/72/82/78/558728278.db2.gz GFCILEUKCFZGOA-JOCHJYFZSA-N 1 1 423.557 2.570 50 0 HFAAMO NC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000030955505 558747184 /nfs/dbraw/zinc/74/71/84/558747184.db2.gz WFXCTLREVNVFTG-UHFFFAOYSA-N 1 1 405.458 2.686 50 0 HFAAMO Cc1nc(N2CCCC2)cc(N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)[nH+]1 ZINC000015671271 558748495 /nfs/dbraw/zinc/74/84/95/558748495.db2.gz URKWHXXXEWBJMH-UHFFFAOYSA-N 1 1 421.954 2.550 50 0 HFAAMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(CS(C)(=O)=O)o1 ZINC000072304581 558757002 /nfs/dbraw/zinc/75/70/02/558757002.db2.gz UIQRYRCIHROICM-GOSISDBHSA-N 1 1 404.532 2.808 50 0 HFAAMO COc1ccc(C[N@@H+]2CCN(Cc3cc(OC)cc(OC)c3)[C@H](CCO)C2)cc1 ZINC000039387724 558820718 /nfs/dbraw/zinc/82/07/18/558820718.db2.gz HGGVPCWNVXRXAF-HXUWFJFHSA-N 1 1 400.519 2.781 50 0 HFAAMO COc1ccc(C[N@H+]2CCN(Cc3cc(OC)cc(OC)c3)[C@H](CCO)C2)cc1 ZINC000039387724 558820719 /nfs/dbraw/zinc/82/07/19/558820719.db2.gz HGGVPCWNVXRXAF-HXUWFJFHSA-N 1 1 400.519 2.781 50 0 HFAAMO CCc1nnc(C(=O)Nc2cccc(C(=O)NCC[N@H+]3CCCC[C@H]3C)c2)s1 ZINC000033022466 558837562 /nfs/dbraw/zinc/83/75/62/558837562.db2.gz UKTCFTJWGKFTLD-CQSZACIVSA-N 1 1 401.536 2.957 50 0 HFAAMO CCn1nc(C(=O)N2CCCN(C)CC2)c2c1CC[C@H]([N@H+](C)Cc1ccsc1)C2 ZINC000019143719 558846431 /nfs/dbraw/zinc/84/64/31/558846431.db2.gz KCDHGXGGGZZKIQ-SFHVURJKSA-N 1 1 415.607 2.732 50 0 HFAAMO CCn1nc(C(=O)N2CCCN(C)CC2)c2c1CC[C@H]([N@@H+](C)Cc1ccsc1)C2 ZINC000019143719 558846433 /nfs/dbraw/zinc/84/64/33/558846433.db2.gz KCDHGXGGGZZKIQ-SFHVURJKSA-N 1 1 415.607 2.732 50 0 HFAAMO COC[C@H](C)NC(=O)C1CC[NH+](C2CCN(CCCc3ccccc3)CC2)CC1 ZINC000019301102 558866505 /nfs/dbraw/zinc/86/65/05/558866505.db2.gz WSGKKUPPECNCDT-FQEVSTJZSA-N 1 1 401.595 2.947 50 0 HFAAMO C[N@@H+](CCNS(=O)(=O)c1csc(-c2ccc(Br)cc2)n1)C1CC1 ZINC000060357476 558869097 /nfs/dbraw/zinc/86/90/97/558869097.db2.gz OCWFZVCMIGZXNO-UHFFFAOYSA-N 1 1 416.366 2.945 50 0 HFAAMO CC(C)Nc1ccnc(N2CCC([N@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)n1 ZINC000071385512 558897372 /nfs/dbraw/zinc/89/73/72/558897372.db2.gz SOKSRKIKTSKPKE-SFHVURJKSA-N 1 1 400.571 2.600 50 0 HFAAMO Cc1nc(-c2cccc(NC(=O)NC[C@@H]([C@H]3CCOC3)[NH+]3CCOCC3)c2)cs1 ZINC000058067125 558897752 /nfs/dbraw/zinc/89/77/52/558897752.db2.gz DQPJWTWQWWJMSU-PXNSSMCTSA-N 1 1 416.547 2.977 50 0 HFAAMO COC(=O)c1cn(CC(=O)NC[C@H](c2ccccc2OC)[NH+](C)C)c2ccccc12 ZINC000058132824 558900573 /nfs/dbraw/zinc/90/05/73/558900573.db2.gz LHEZSSSFSRQJBU-HXUWFJFHSA-N 1 1 409.486 2.856 50 0 HFAAMO CN(Cc1ncc[nH]1)C(=O)[C@@H]1CCC[N@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000071479546 558902384 /nfs/dbraw/zinc/90/23/84/558902384.db2.gz AUDOMFITSXACRV-OAQYLSRUSA-N 1 1 409.578 2.787 50 0 HFAAMO O=C(c1ccc(-c2ccccc2)c(F)c1)[C@H]1CCC[N@@H+](Cc2c[nH]c(=O)[nH]c2=O)C1 ZINC000071499071 558903446 /nfs/dbraw/zinc/90/34/46/558903446.db2.gz XZLZFSKYPUFKLU-KRWDZBQOSA-N 1 1 407.445 2.964 50 0 HFAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)Cn1nc(-c2ccc(Cl)cc2)ccc1=O ZINC000004709407 558914266 /nfs/dbraw/zinc/91/42/66/558914266.db2.gz QRODKZBUOJWAKK-MRXNPFEDSA-N 1 1 402.926 2.944 50 0 HFAAMO Cc1ccc(S(=O)(=O)N2CCCN(C(=O)C[NH+]3CCCCC3)[C@@H]2C(C)C)cc1 ZINC000004721888 558925400 /nfs/dbraw/zinc/92/54/00/558925400.db2.gz QWMOTHREDGSTJF-NRFANRHFSA-N 1 1 407.580 2.686 50 0 HFAAMO COc1cccc(NC(=O)N2CCN(c3cc(-n4cnc(C)c4C)nc(C)[nH+]3)CC2)c1 ZINC000072117506 558927592 /nfs/dbraw/zinc/92/75/92/558927592.db2.gz OVAYONZUMLGJHC-UHFFFAOYSA-N 1 1 421.505 2.950 50 0 HFAAMO COc1ccc(NC(=O)c2nnc(C(=O)NCCC[N@H+]3CCC[C@@H](C)C3)s2)cc1 ZINC000033060175 558954426 /nfs/dbraw/zinc/95/44/26/558954426.db2.gz YVWYNPSUKQFPOO-CQSZACIVSA-N 1 1 417.535 2.651 50 0 HFAAMO Cc1noc(C)c1C(=O)N1CCC2(CN(CCC[N@H+](C)CC(C)C)C(=O)O2)CC1 ZINC000072468011 558983393 /nfs/dbraw/zinc/98/33/93/558983393.db2.gz FFEXPUBWLXDDKQ-UHFFFAOYSA-N 1 1 406.527 2.696 50 0 HFAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)C1 ZINC000067603603 558988032 /nfs/dbraw/zinc/98/80/32/558988032.db2.gz QLFJXDWVJRDASF-AWEZNQCLSA-N 1 1 401.960 2.588 50 0 HFAAMO Cc1nc(-n2ccnc2)cc(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)[nH+]1 ZINC000067603918 558988149 /nfs/dbraw/zinc/98/81/49/558988149.db2.gz ONTWMJWYSUXMGV-UHFFFAOYSA-N 1 1 400.845 2.726 50 0 HFAAMO Cc1[nH+]ccn1-c1cc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)ncn1 ZINC000067604659 558988586 /nfs/dbraw/zinc/98/85/86/558988586.db2.gz SWIGCNDWAQSICG-UHFFFAOYSA-N 1 1 400.845 2.726 50 0 HFAAMO O=C(NCCc1ccccc1)[C@@H]1CCC[N@H+](C2CCN(C(=O)c3ccc[nH]3)CC2)C1 ZINC000082087495 559036803 /nfs/dbraw/zinc/03/68/03/559036803.db2.gz CGTLHOPBFVSSKO-HXUWFJFHSA-N 1 1 408.546 2.690 50 0 HFAAMO O=C(NCCc1ccccc1)[C@H]1CCC[N@H+](C2CCN(C(=O)c3ccc[nH]3)CC2)C1 ZINC000082087496 559036805 /nfs/dbraw/zinc/03/68/05/559036805.db2.gz CGTLHOPBFVSSKO-FQEVSTJZSA-N 1 1 408.546 2.690 50 0 HFAAMO Cc1noc(C)c1CNC(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082091609 559037026 /nfs/dbraw/zinc/03/70/26/559037026.db2.gz YLLSXQFATPTLSK-HXUWFJFHSA-N 1 1 411.550 2.679 50 0 HFAAMO O=C(NC[C@H]1CCOC1)C1CC[NH+](C2CCN(CCCc3ccccc3)CC2)CC1 ZINC000082097110 559037581 /nfs/dbraw/zinc/03/75/81/559037581.db2.gz YYSZIMQGMPJISN-JOCHJYFZSA-N 1 1 413.606 2.948 50 0 HFAAMO O=C([C@H]1CCC[N@H+](C2CCN(CCc3ccccc3)CC2)C1)N1CCC(CO)CC1 ZINC000082098700 559037982 /nfs/dbraw/zinc/03/79/82/559037982.db2.gz LTFQCNBMMXUEAM-QHCPKHFHSA-N 1 1 413.606 2.636 50 0 HFAAMO O=C(NCc1ccc(O)cc1)[C@@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082108061 559038682 /nfs/dbraw/zinc/03/86/82/559038682.db2.gz LXFBMVCUJXLONU-OAQYLSRUSA-N 1 1 408.546 2.780 50 0 HFAAMO CN(Cc1ccccn1)C(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082114818 559039115 /nfs/dbraw/zinc/03/91/15/559039115.db2.gz XUPVFLWGVRHJRH-OAQYLSRUSA-N 1 1 407.562 2.812 50 0 HFAAMO COCCN(C)C(=O)[C@H]1CCC[N@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000082138577 559040686 /nfs/dbraw/zinc/04/06/86/559040686.db2.gz LFLWENCGVXTOHM-KRWDZBQOSA-N 1 1 400.523 2.613 50 0 HFAAMO CCCCCC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000082161931 559041933 /nfs/dbraw/zinc/04/19/33/559041933.db2.gz NSZFQCLGKZRXDY-FQEVSTJZSA-N 1 1 400.567 2.981 50 0 HFAAMO CCc1ccc(OCCOC[C@@H](O)C[NH+]2CCN(c3ccccc3F)CC2)cc1 ZINC000023224729 559062768 /nfs/dbraw/zinc/06/27/68/559062768.db2.gz POXKPQUMBKLRHI-FQEVSTJZSA-N 1 1 402.510 2.967 50 0 HFAAMO O=C(NCc1ccon1)[C@@H]1CCC[N@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000091625543 559072511 /nfs/dbraw/zinc/07/25/11/559072511.db2.gz FWQZRJQEISYZRS-MRXNPFEDSA-N 1 1 409.490 2.813 50 0 HFAAMO COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CC[N@H+](Cc1cnc(C(C)C)nc1)C2 ZINC000095364028 559080045 /nfs/dbraw/zinc/08/00/45/559080045.db2.gz ULBDUQQMTBHWPA-XPNTWCBSSA-N 1 1 402.583 2.939 50 0 HFAAMO COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CC[N@@H+](Cc1cnc(C(C)C)nc1)C2 ZINC000095364028 559080046 /nfs/dbraw/zinc/08/00/46/559080046.db2.gz ULBDUQQMTBHWPA-XPNTWCBSSA-N 1 1 402.583 2.939 50 0 HFAAMO Cc1cccc(C[N@H+]2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)n1 ZINC000095512684 559084250 /nfs/dbraw/zinc/08/42/50/559084250.db2.gz PVEMXEDYAGBFPM-JOCHJYFZSA-N 1 1 408.546 2.901 50 0 HFAAMO Cc1cccc(CN2CCC[C@@H]([NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)n1 ZINC000095512684 559084251 /nfs/dbraw/zinc/08/42/51/559084251.db2.gz PVEMXEDYAGBFPM-JOCHJYFZSA-N 1 1 408.546 2.901 50 0 HFAAMO Cc1cc(C)c(-c2cc(C(=O)N3CCC[C@H](C(=O)N4CC[NH+](C)CC4)C3)no2)c(C)c1 ZINC000096210836 559101555 /nfs/dbraw/zinc/10/15/55/559101555.db2.gz DSMKZMJFSNUVDL-IBGZPJMESA-N 1 1 424.545 2.893 50 0 HFAAMO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@@H+]2[C@@]32C(=O)Nc3ccc(F)cc32)cc1C ZINC000100207781 559177507 /nfs/dbraw/zinc/17/75/07/559177507.db2.gz HFSYTLKIKCDFFP-CMCWBKRRSA-N 1 1 419.456 2.874 50 0 HFAAMO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@H+]2[C@@]32C(=O)Nc3ccc(F)cc32)cc1C ZINC000100207781 559177508 /nfs/dbraw/zinc/17/75/08/559177508.db2.gz HFSYTLKIKCDFFP-CMCWBKRRSA-N 1 1 419.456 2.874 50 0 HFAAMO CC[C@H]1CCCC[N@@H+]1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(C)cc1 ZINC000004930217 559209192 /nfs/dbraw/zinc/20/91/92/559209192.db2.gz AHRFYOGLERDGRS-SFHVURJKSA-N 1 1 409.534 2.555 50 0 HFAAMO CC[C@H]1CCCC[N@H+]1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(C)cc1 ZINC000004930217 559209193 /nfs/dbraw/zinc/20/91/93/559209193.db2.gz AHRFYOGLERDGRS-SFHVURJKSA-N 1 1 409.534 2.555 50 0 HFAAMO CC[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CCC1 ZINC000004971560 559220609 /nfs/dbraw/zinc/22/06/09/559220609.db2.gz YASRMUUFPVOXRN-LJQANCHMSA-N 1 1 419.591 2.919 50 0 HFAAMO C[N@@H+](CCNC(=O)C1CCN(c2nnc(-n3cccc3)s2)CC1)C1CCCCC1 ZINC000005144199 559252247 /nfs/dbraw/zinc/25/22/47/559252247.db2.gz JOCBIDLMFIEKJJ-UHFFFAOYSA-N 1 1 416.595 2.926 50 0 HFAAMO CC1=[NH+]N(Cc2cccc3ccccc32)c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@@H]1C ZINC000005148030 559252921 /nfs/dbraw/zinc/25/29/21/559252921.db2.gz CZYAETBKUNDSJV-CQSZACIVSA-N 1 1 402.458 2.544 50 0 HFAAMO C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@H+](C)C[C@H]1COc2ccccc2O1 ZINC000248117943 559264162 /nfs/dbraw/zinc/26/41/62/559264162.db2.gz MAZYXEKZYYXGQI-PXNSSMCTSA-N 1 1 411.502 2.622 50 0 HFAAMO C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@@H+](C)C[C@H]1COc2ccccc2O1 ZINC000248117943 559264164 /nfs/dbraw/zinc/26/41/64/559264164.db2.gz MAZYXEKZYYXGQI-PXNSSMCTSA-N 1 1 411.502 2.622 50 0 HFAAMO CCOC(=O)[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000248317511 559270564 /nfs/dbraw/zinc/27/05/64/559270564.db2.gz MZSUUEUZRZOAQA-ZWKOTPCHSA-N 1 1 402.491 2.539 50 0 HFAAMO CCOC(=O)[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000248317511 559270565 /nfs/dbraw/zinc/27/05/65/559270565.db2.gz MZSUUEUZRZOAQA-ZWKOTPCHSA-N 1 1 402.491 2.539 50 0 HFAAMO COCCCN(C[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)CN1Cc2ccccc2C1=O ZINC000583647562 560778855 /nfs/dbraw/zinc/77/88/55/560778855.db2.gz KBJJUMVTEAILRL-UNMCSNQZSA-N 1 1 413.562 2.772 50 0 biogenic HFAAMO Cc1cccc(C)c1N1C(=O)C[C@H]([NH+]2CCC(C(=O)Nc3ccccc3O)CC2)C1=O ZINC000101490828 560795986 /nfs/dbraw/zinc/79/59/86/560795986.db2.gz IZPRYUVHNFQSTD-IBGZPJMESA-N 1 1 421.497 2.992 50 0 HFAAMO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000005710468 560805098 /nfs/dbraw/zinc/80/50/98/560805098.db2.gz ZOPZNBBJXXJODP-CTNGQTDRSA-N 1 1 413.543 2.693 50 0 HFAAMO CC[C@@H]1CN(C(=O)Nc2ccc(OC)c(N3CCCCC3=O)c2)CC[N@H+]1C[C@H](C)O ZINC000107510247 560896475 /nfs/dbraw/zinc/89/64/75/560896475.db2.gz HDSOXDPYPAULHB-FUHWJXTLSA-N 1 1 418.538 2.521 50 0 HFAAMO CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2c2cc(OC)ccc2OC)C1 ZINC000048332877 568439365 /nfs/dbraw/zinc/43/93/65/568439365.db2.gz NFTRSCAXXPGNKG-QFBILLFUSA-N 1 1 404.507 2.642 50 0 HFAAMO CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2c2cc(OC)ccc2OC)C1 ZINC000048332877 568439366 /nfs/dbraw/zinc/43/93/66/568439366.db2.gz NFTRSCAXXPGNKG-QFBILLFUSA-N 1 1 404.507 2.642 50 0 HFAAMO Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000048326597 568439737 /nfs/dbraw/zinc/43/97/37/568439737.db2.gz QQPBCBPGYPBDQC-JOCHJYFZSA-N 1 1 422.508 2.639 50 0 HFAAMO CCC[NH+]1CCN(C(=O)c2cn(-c3ccc(-c4nc(C(C)(C)C)no4)cn3)cn2)CC1 ZINC000049420789 568450311 /nfs/dbraw/zinc/45/03/11/568450311.db2.gz OWKZFTVTTYVGMZ-UHFFFAOYSA-N 1 1 423.521 2.783 50 0 HFAAMO O=C(CCNC(=O)c1ccc(F)cc1Cl)NCC[N@H+]1CCc2ccccc2C1 ZINC000049652638 568453185 /nfs/dbraw/zinc/45/31/85/568453185.db2.gz SJOPRCRDLUWLOJ-UHFFFAOYSA-N 1 1 403.885 2.774 50 0 HFAAMO Cc1nc(-c2cccc(NC(=O)CN3CC[NH+](C[C@H]4CCCO4)CC3)c2)cs1 ZINC000022781241 568499497 /nfs/dbraw/zinc/49/94/97/568499497.db2.gz JTLGGAZKKCZZNV-LJQANCHMSA-N 1 1 400.548 2.854 50 0 HFAAMO COc1ccc(CC(=O)N[C@H](C)[C@H](c2cccs2)N2CC[NH+](C)CC2)cc1OC ZINC000020287832 568597167 /nfs/dbraw/zinc/59/71/67/568597167.db2.gz UVYUTUBYUCIFBP-OPAMFIHVSA-N 1 1 417.575 2.801 50 0 HFAAMO COc1ccc(CC(=O)N[C@H](C)[C@H](c2cccs2)[NH+]2CCN(C)CC2)cc1OC ZINC000020287832 568597169 /nfs/dbraw/zinc/59/71/69/568597169.db2.gz UVYUTUBYUCIFBP-OPAMFIHVSA-N 1 1 417.575 2.801 50 0 HFAAMO COc1ccc(CC(=O)N[C@@H](C)[C@H](c2cccs2)N2CC[NH+](C)CC2)cc1OC ZINC000020287830 568597237 /nfs/dbraw/zinc/59/72/37/568597237.db2.gz UVYUTUBYUCIFBP-KSFYIVLOSA-N 1 1 417.575 2.801 50 0 HFAAMO COc1ccc(CC(=O)N[C@@H](C)[C@H](c2cccs2)[NH+]2CCN(C)CC2)cc1OC ZINC000020287830 568597240 /nfs/dbraw/zinc/59/72/40/568597240.db2.gz UVYUTUBYUCIFBP-KSFYIVLOSA-N 1 1 417.575 2.801 50 0 HFAAMO COc1ccc(C(=O)N[C@H](C)[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc1OC ZINC000020287795 568597256 /nfs/dbraw/zinc/59/72/56/568597256.db2.gz HXKRCKUYYYXNJY-QRWLVFNGSA-N 1 1 403.548 2.872 50 0 HFAAMO CC[NH+]1CCN([C@@H](c2cccs2)[C@H](C)NC(=O)c2ccc3c(c2)OCO3)CC1 ZINC000020288098 568597488 /nfs/dbraw/zinc/59/74/88/568597488.db2.gz XVUWCRFDRLHWEL-MGPUTAFESA-N 1 1 401.532 2.974 50 0 HFAAMO Cc1ccc2oc(=O)c3cnn(CC(=O)N4CC[NH+](Cc5ccccc5)CC4)c3c2c1 ZINC000020321777 568598766 /nfs/dbraw/zinc/59/87/66/568598766.db2.gz WPHPJNPJLYQVSZ-UHFFFAOYSA-N 1 1 416.481 2.796 50 0 HFAAMO COCCC[N@H+]1CCc2nc(SCC(=O)Nc3ccc(C)c(C)c3)[nH]c(=O)c2C1 ZINC000020467819 568610572 /nfs/dbraw/zinc/61/05/72/568610572.db2.gz BPUNNQYUOIMZFY-UHFFFAOYSA-N 1 1 416.547 2.924 50 0 HFAAMO CC[C@@H]1CN(C(=O)N2CCC(C(=O)N3CC[NH+](CC)CC3)CC2)c2ccccc2O1 ZINC000020489434 568614101 /nfs/dbraw/zinc/61/41/01/568614101.db2.gz QQAQKPABKJABHC-LJQANCHMSA-N 1 1 414.550 2.660 50 0 HFAAMO COC(=O)[C@]1(NCC(=O)N[C@@H](C)c2cccs2)CCC[N@H+](Cc2ccccc2)C1 ZINC000095454698 568616389 /nfs/dbraw/zinc/61/63/89/568616389.db2.gz HDBZUMKBZHPWLL-JTSKRJEESA-N 1 1 415.559 2.723 50 0 HFAAMO COC(=O)[C@]1(NCC(=O)N[C@@H](C)c2cccs2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000095454698 568616392 /nfs/dbraw/zinc/61/63/92/568616392.db2.gz HDBZUMKBZHPWLL-JTSKRJEESA-N 1 1 415.559 2.723 50 0 HFAAMO C[NH+]1CCN([C@H]2CCCCN(C(=O)Nc3ccc(N4CCSCC4)cc3)C2)CC1 ZINC000095454988 568616704 /nfs/dbraw/zinc/61/67/04/568616704.db2.gz FEYMUZBSZGXZSO-NRFANRHFSA-N 1 1 417.623 2.874 50 0 HFAAMO COc1ccc(NC(=O)COc2coc(C[NH+]3CCCCC3)cc2=O)c(OC)c1 ZINC000095474275 568629047 /nfs/dbraw/zinc/62/90/47/568629047.db2.gz HOEZBJARCUBXSQ-UHFFFAOYSA-N 1 1 402.447 2.660 50 0 HFAAMO Cc1noc2ncnc(N3CCC(C(=O)NCCC[N@@H+]4CCCC[C@H]4C)CC3)c12 ZINC000020944857 568653204 /nfs/dbraw/zinc/65/32/04/568653204.db2.gz PKFXKHABVNRVBA-OAHLLOKOSA-N 1 1 400.527 2.523 50 0 HFAAMO CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)C[N@H+](CC)CC3)cc1 ZINC000021295242 568687082 /nfs/dbraw/zinc/68/70/82/568687082.db2.gz RPSPSLLVLIEKLQ-UHFFFAOYSA-N 1 1 422.576 2.804 50 0 HFAAMO CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](CC)CC3)cc1 ZINC000021295242 568687083 /nfs/dbraw/zinc/68/70/83/568687083.db2.gz RPSPSLLVLIEKLQ-UHFFFAOYSA-N 1 1 422.576 2.804 50 0 HFAAMO C[NH+]1CCN(C(=O)[C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3Cl)on2)CC1 ZINC000096210750 568704396 /nfs/dbraw/zinc/70/43/96/568704396.db2.gz JBAJLYDLQRPONO-SFHVURJKSA-N 1 1 416.909 2.764 50 0 HFAAMO C[NH+]1CCN(C(=O)[C@H]2CCCCN2C(=O)c2cc(-c3ccccc3Cl)on2)CC1 ZINC000096210752 568704498 /nfs/dbraw/zinc/70/44/98/568704498.db2.gz JBAJLYDLQRPONO-GOSISDBHSA-N 1 1 416.909 2.764 50 0 HFAAMO C[NH+]1CCN(c2nc(N3CCCC3)nc3c2CN(Cc2ccc(F)cc2)CC3)CC1 ZINC000096281814 568718981 /nfs/dbraw/zinc/71/89/81/568718981.db2.gz RDBJOHGWGKIDID-UHFFFAOYSA-N 1 1 410.541 2.526 50 0 HFAAMO CC(=O)Nc1ccc(NC(=O)[C@H]2C[C@H]3CCC[N@H+]3[C@]23c2ccccc2N(C)C3=O)cc1 ZINC000096286777 568719285 /nfs/dbraw/zinc/71/92/85/568719285.db2.gz HLZSTDLPKDLCJV-DRMXPCRNSA-N 1 1 418.497 2.940 50 0 biogenic HFAAMO Cc1ccc(C(C)C)cc1S(=O)(=O)N1CCN(c2cc(N(C)C)nc(C)[nH+]2)CC1 ZINC000021794632 568753532 /nfs/dbraw/zinc/75/35/32/568753532.db2.gz FLQLXQJCFKIKCQ-UHFFFAOYSA-N 1 1 417.579 2.794 50 0 HFAAMO Cc1ccnc(C(=O)Nc2ccc(Nc3cc(N4CCOCC4)nc(C)[nH+]3)cc2)n1 ZINC000056906845 568821069 /nfs/dbraw/zinc/82/10/69/568821069.db2.gz XHLCDUUCQJIHGM-UHFFFAOYSA-N 1 1 405.462 2.716 50 0 HFAAMO O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C1(c2ccccc2)CCOCC1 ZINC000056997291 568822362 /nfs/dbraw/zinc/82/23/62/568822362.db2.gz LPIJHMJWSKFVJC-UHFFFAOYSA-N 1 1 411.521 2.812 50 0 HFAAMO COc1cc(OC)cc(C(=O)NCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)c1 ZINC000056997351 568822438 /nfs/dbraw/zinc/82/24/38/568822438.db2.gz WWRSDFQCXSDCCU-UHFFFAOYSA-N 1 1 403.910 2.909 50 0 HFAAMO Cc1nn(C)c2nc(C)c(C(=O)NCCC[N@H+]3CCN(C)C[C@@H]3c3ccccc3)cc12 ZINC000030000854 568855266 /nfs/dbraw/zinc/85/52/66/568855266.db2.gz LSIRFUOKGNYRAV-JOCHJYFZSA-N 1 1 420.561 2.694 50 0 HFAAMO Cc1nn(C)c2nc(C)c(C(=O)NCCCN3CC[N@H+](C)C[C@@H]3c3ccccc3)cc12 ZINC000030000854 568855269 /nfs/dbraw/zinc/85/52/69/568855269.db2.gz LSIRFUOKGNYRAV-JOCHJYFZSA-N 1 1 420.561 2.694 50 0 HFAAMO Cc1nn(C)c2nc(C)c(C(=O)NCCCN3CC[N@@H+](C)C[C@@H]3c3ccccc3)cc12 ZINC000030000854 568855273 /nfs/dbraw/zinc/85/52/73/568855273.db2.gz LSIRFUOKGNYRAV-JOCHJYFZSA-N 1 1 420.561 2.694 50 0 HFAAMO CC(C)=CC[N@@H+]1C[C@H](n2cnnn2)C[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000299782308 568875129 /nfs/dbraw/zinc/87/51/29/568875129.db2.gz MMCQXIKXPXWNCR-SJORKVTESA-N 1 1 408.428 2.590 50 0 HFAAMO CC(C)=CC[N@H+]1C[C@H](n2cnnn2)C[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000299782308 568875132 /nfs/dbraw/zinc/87/51/32/568875132.db2.gz MMCQXIKXPXWNCR-SJORKVTESA-N 1 1 408.428 2.590 50 0 HFAAMO O=C(N[C@@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3)c1cc(-c2ccccc2)no1 ZINC000670441046 568891561 /nfs/dbraw/zinc/89/15/61/568891561.db2.gz QFZJBZJDRPNJSD-UXVFNKRRSA-N 1 1 414.509 2.639 50 0 HFAAMO O=C(CC[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)C1CC1)NC(=O)NC1CCCC1 ZINC000012756378 568943067 /nfs/dbraw/zinc/94/30/67/568943067.db2.gz OCUBPIBQLJVKNM-UHFFFAOYSA-N 1 1 412.534 2.702 50 0 HFAAMO O=C(CCc1c[nH]c2ccccc12)N[C@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000670461900 568953241 /nfs/dbraw/zinc/95/32/41/568953241.db2.gz MHRXJNBNVSFXED-FQKSQLJCSA-N 1 1 414.553 2.784 50 0 HFAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(c2ncnc3onc(C)c32)CC1 ZINC000015728865 568979270 /nfs/dbraw/zinc/97/92/70/568979270.db2.gz WWYWHTOLKHCCAS-SFHVURJKSA-N 1 1 414.554 2.913 50 0 HFAAMO CC[NH+]1CCN(C(=O)c2ccc(OCC(=O)Nc3ccc(F)cc3)c(OC)c2)CC1 ZINC000006079912 568993972 /nfs/dbraw/zinc/99/39/72/568993972.db2.gz RFPKIJPYSVWYEX-UHFFFAOYSA-N 1 1 415.465 2.630 50 0 HFAAMO Cc1nc(-c2ccc(C(F)(F)F)cc2)ncc1C(=O)NCCC[NH+]1CCOCC1 ZINC000085651523 569005754 /nfs/dbraw/zinc/00/57/54/569005754.db2.gz GJSHONHRACCAMA-UHFFFAOYSA-N 1 1 408.424 2.923 50 0 HFAAMO Cc1cccc(N(CC(=O)N2CC[NH+](C)CC2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000020481631 569008030 /nfs/dbraw/zinc/00/80/30/569008030.db2.gz LXGBTOHOVDRCBZ-UHFFFAOYSA-N 1 1 421.950 2.618 50 0 HFAAMO CCOc1ccc(C[N@@H+]2CCN(Cc3cnc(N(C)C)s3)C[C@H]2CCO)cc1 ZINC000104366084 569008464 /nfs/dbraw/zinc/00/84/64/569008464.db2.gz RYFBGOFBCRHDAM-GOSISDBHSA-N 1 1 404.580 2.677 50 0 HFAAMO CCOc1ccc(C[N@H+]2CCN(Cc3cnc(N(C)C)s3)C[C@H]2CCO)cc1 ZINC000104366084 569008465 /nfs/dbraw/zinc/00/84/65/569008465.db2.gz RYFBGOFBCRHDAM-GOSISDBHSA-N 1 1 404.580 2.677 50 0 HFAAMO COc1cc(CN2CC[N@@H+](Cc3cccc(C)n3)[C@H](CCO)C2)cc(Cl)c1O ZINC000104498967 569008841 /nfs/dbraw/zinc/00/88/41/569008841.db2.gz NLGOLFGJZMOAJG-GOSISDBHSA-N 1 1 405.926 2.826 50 0 HFAAMO COc1cc(CN2CC[N@H+](Cc3cccc(C)n3)[C@H](CCO)C2)cc(Cl)c1O ZINC000104498967 569008840 /nfs/dbraw/zinc/00/88/40/569008840.db2.gz NLGOLFGJZMOAJG-GOSISDBHSA-N 1 1 405.926 2.826 50 0 HFAAMO CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc2c(c1)C(=C1CCCC1)C(=O)N2C ZINC000015861061 569015458 /nfs/dbraw/zinc/01/54/58/569015458.db2.gz XLSGGAREOWNJCS-MRXNPFEDSA-N 1 1 403.548 2.753 50 0 HFAAMO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC000012887737 569019669 /nfs/dbraw/zinc/01/96/69/569019669.db2.gz DNYREFLRGPWCJL-OAHLLOKOSA-N 1 1 423.941 2.555 50 0 HFAAMO CC(C)C[C@@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000035349302 569033506 /nfs/dbraw/zinc/03/35/06/569033506.db2.gz USRGOPGKTINNHO-VQTJNVASSA-N 1 1 423.513 2.642 50 0 HFAAMO Cc1cccc(-c2ccc(N3CCC[C@@H](C(=O)NCCC[NH+]4CCOCC4)C3)nn2)c1 ZINC000035398229 569035117 /nfs/dbraw/zinc/03/51/17/569035117.db2.gz HMKUBZPVXCCEPK-OAQYLSRUSA-N 1 1 423.561 2.507 50 0 HFAAMO CNS(=O)(=O)c1ccc(C)c(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)c1 ZINC000012980916 569046522 /nfs/dbraw/zinc/04/65/22/569046522.db2.gz GKFBMDKHXORLMG-GOSISDBHSA-N 1 1 409.939 2.589 50 0 HFAAMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000241231055 569054694 /nfs/dbraw/zinc/05/46/94/569054694.db2.gz KROSTEAXRXFXIJ-SJORKVTESA-N 1 1 406.552 2.562 50 0 HFAAMO Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@@H+]4[C@@]4(C(=O)Nc5ccc(F)cc54)[C@H]3C2=O)cc1 ZINC000245242306 569055405 /nfs/dbraw/zinc/05/54/05/569055405.db2.gz ZPXAYNDLMJTIIK-RTXPOLOASA-N 1 1 405.429 2.565 50 0 HFAAMO Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@H+]4[C@@]4(C(=O)Nc5ccc(F)cc54)[C@H]3C2=O)cc1 ZINC000245242306 569055406 /nfs/dbraw/zinc/05/54/06/569055406.db2.gz ZPXAYNDLMJTIIK-RTXPOLOASA-N 1 1 405.429 2.565 50 0 HFAAMO COc1ccc(NC(=O)[C@@H](CCSC)NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000035876915 569064313 /nfs/dbraw/zinc/06/43/13/569064313.db2.gz YJIZBJNZPNDMNC-UXHICEINSA-N 1 1 413.543 2.586 50 0 HFAAMO Cc1[nH+]c(CNC(=O)c2nnn(-c3cccc4cnccc43)c2C)c2n1CCCC2 ZINC000089556344 569070162 /nfs/dbraw/zinc/07/01/62/569070162.db2.gz HSSDNVCWACOBJN-UHFFFAOYSA-N 1 1 401.474 2.895 50 0 HFAAMO COc1ccc(F)c(CN2CCC[C@@]3(CC[N@@H+](CC(=O)N(C)C(C)C)C3)C2=O)c1 ZINC000426409223 569072741 /nfs/dbraw/zinc/07/27/41/569072741.db2.gz FJATUQCKFTVERP-QFIPXVFZSA-N 1 1 405.514 2.516 50 0 HFAAMO Cc1ccc(C[N@H+](CCN2CCOCC2)C[C@H](O)COc2ccc(Cl)cc2)o1 ZINC000036097499 569090193 /nfs/dbraw/zinc/09/01/93/569090193.db2.gz LHJMBDKTNPRQBX-IBGZPJMESA-N 1 1 408.926 2.816 50 0 HFAAMO Cc1ccc(C[N@@H+](CCN2CCOCC2)C[C@H](O)COc2ccc(Cl)cc2)o1 ZINC000036097499 569090194 /nfs/dbraw/zinc/09/01/94/569090194.db2.gz LHJMBDKTNPRQBX-IBGZPJMESA-N 1 1 408.926 2.816 50 0 HFAAMO COc1ccc(OC[C@@H](O)C[N@@H+](CCN2CCOCC2)Cc2ccc(C)cc2)cc1 ZINC000036101702 569091597 /nfs/dbraw/zinc/09/15/97/569091597.db2.gz DNSUBAKPBUQCNI-QFIPXVFZSA-N 1 1 414.546 2.578 50 0 HFAAMO C[C@@H]1CCCC[N@@H+]1Cc1nc(Cn2ccn3nc(-c4ccccc4)cc3c2=O)no1 ZINC000065235926 569202467 /nfs/dbraw/zinc/20/24/67/569202467.db2.gz MVWSQIJDXMNQCD-MRXNPFEDSA-N 1 1 404.474 2.969 50 0 HFAAMO C[C@@H]1CCCC[N@H+]1Cc1nc(Cn2ccn3nc(-c4ccccc4)cc3c2=O)no1 ZINC000065235926 569202469 /nfs/dbraw/zinc/20/24/69/569202469.db2.gz MVWSQIJDXMNQCD-MRXNPFEDSA-N 1 1 404.474 2.969 50 0 HFAAMO CN1CCC([NH+]2CCN(c3nnc(-c4nc(C5CC5)no4)c4ccccc43)CC2)CC1 ZINC000065258300 569210226 /nfs/dbraw/zinc/21/02/26/569210226.db2.gz LUUVTHJXRMXAJY-UHFFFAOYSA-N 1 1 419.533 2.773 50 0 HFAAMO COC(=O)c1ccc2c(c1)nc(N1CC[NH+](C)CC1)n(-c1cccc(Cl)c1)c2=O ZINC000065306647 569220664 /nfs/dbraw/zinc/22/06/64/569220664.db2.gz DPSVJRNXAKBFRW-UHFFFAOYSA-N 1 1 412.877 2.578 50 0 HFAAMO COc1ccc(CN2CCC[N@H+](C[C@H](O)COc3cccc4[nH]ccc43)CC2=O)cc1 ZINC000170597072 569242021 /nfs/dbraw/zinc/24/20/21/569242021.db2.gz NRVFHTDZDFSOPV-IBGZPJMESA-N 1 1 423.513 2.651 50 0 HFAAMO COc1ccc(CN2CCC[N@@H+](C[C@H](O)COc3cccc4[nH]ccc43)CC2=O)cc1 ZINC000170597072 569242023 /nfs/dbraw/zinc/24/20/23/569242023.db2.gz NRVFHTDZDFSOPV-IBGZPJMESA-N 1 1 423.513 2.651 50 0 HFAAMO CCOC(=O)c1sc(NC(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)c(C(=O)OCC)c1C ZINC000252476981 569288415 /nfs/dbraw/zinc/28/84/15/569288415.db2.gz FYYXKKLOKNZOFL-VXGBXAGGSA-N 1 1 411.524 2.966 50 0 HFAAMO Cc1ccc2c(c1)cc(C[NH+]1CCN(CCO)CC1)c(=O)n2Cc1cccc(F)c1 ZINC000022911530 569357683 /nfs/dbraw/zinc/35/76/83/569357683.db2.gz YDTAOOXFKJYGNG-UHFFFAOYSA-N 1 1 409.505 2.607 50 0 HFAAMO COCC[N@@H+](C)CC[C@@H](NC(=O)C(=O)Nc1ccc(C(C)=O)cc1)c1ccccc1 ZINC000078751649 569420309 /nfs/dbraw/zinc/42/03/09/569420309.db2.gz FFEFZNILRFQXCA-OAQYLSRUSA-N 1 1 411.502 2.654 50 0 HFAAMO Cc1[nH+]ccn1-c1ccc([C@H](C)NS(=O)(=O)c2ccc3c(c2)C(=O)NCC3)cc1 ZINC000079048542 569425300 /nfs/dbraw/zinc/42/53/00/569425300.db2.gz PXNFDEHDSFDNAH-AWEZNQCLSA-N 1 1 410.499 2.506 50 0 HFAAMO CCc1ccc(-c2nc(C[S@](=O)CC(=O)NCC[NH+]3CCCC3)c(C)o2)cc1 ZINC000008878466 571130874 /nfs/dbraw/zinc/13/08/74/571130874.db2.gz FVNBPFRMEMIOFH-MUUNZHRXSA-N 1 1 403.548 2.673 50 0 HFAAMO C[NH+]1CCN(C(=O)c2ccc(CNC(=O)c3cc(-c4ccccc4)no3)cc2)CC1 ZINC000040111536 571169695 /nfs/dbraw/zinc/16/96/95/571169695.db2.gz TZJUVESDYFGKEM-UHFFFAOYSA-N 1 1 404.470 2.659 50 0 HFAAMO Cc1nc(C)c(CC(=O)NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)c(=O)[nH]1 ZINC000040112635 571170720 /nfs/dbraw/zinc/17/07/20/571170720.db2.gz PZGVALAMUQMBKH-FQEVSTJZSA-N 1 1 422.554 2.907 50 0 HFAAMO Cc1nc(C)c(CC(=O)NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)c(=O)[nH]1 ZINC000040112635 571170725 /nfs/dbraw/zinc/17/07/25/571170725.db2.gz PZGVALAMUQMBKH-FQEVSTJZSA-N 1 1 422.554 2.907 50 0 HFAAMO CCc1ccccc1OCC(=O)N1c2ccccc2CC[C@@H]1C(=O)N1CC[NH+](C)CC1 ZINC000040134607 571187749 /nfs/dbraw/zinc/18/77/49/571187749.db2.gz HSLPUMRYBJAKPJ-JOCHJYFZSA-N 1 1 421.541 2.750 50 0 HFAAMO O=C(C[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCCO3)CC1)Nc1ccc(F)cc1 ZINC000009068169 571218322 /nfs/dbraw/zinc/21/83/22/571218322.db2.gz BMEHPULVPOURGV-UHFFFAOYSA-N 1 1 413.449 2.886 50 0 HFAAMO CCOC(=O)[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H]1c1ccc(OC)cc1OC ZINC000245237286 571219296 /nfs/dbraw/zinc/21/92/96/571219296.db2.gz IEFMMMTVJJTVNL-RBUKOAKNSA-N 1 1 404.507 2.785 50 0 HFAAMO CCOC(=O)[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@H]1c1ccc(OC)cc1OC ZINC000245237286 571219298 /nfs/dbraw/zinc/21/92/98/571219298.db2.gz IEFMMMTVJJTVNL-RBUKOAKNSA-N 1 1 404.507 2.785 50 0 HFAAMO O=C(C[NH+]1CCCC1)N1CCCN(S(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000009095052 571220812 /nfs/dbraw/zinc/22/08/12/571220812.db2.gz MUNIXJKXLBKSFB-JOCHJYFZSA-N 1 1 413.543 2.704 50 0 HFAAMO COCCN(C[C@@H]1C[N@@H+](Cc2ccco2)C[C@H]1c1ccccc1OC)C(=O)COC ZINC000245343744 571226273 /nfs/dbraw/zinc/22/62/73/571226273.db2.gz YMXJBGWYBUVNLF-GHTZIAJQSA-N 1 1 416.518 2.625 50 0 HFAAMO COCCCNC(=O)c1nnn(-c2cccc3c2CC[N@@H+](Cc2ccccc2)C3)c1C ZINC000069656241 571237082 /nfs/dbraw/zinc/23/70/82/571237082.db2.gz ITYNGKKBPHMVSG-UHFFFAOYSA-N 1 1 419.529 2.900 50 0 HFAAMO NS(=O)(=O)c1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000010382282 571301754 /nfs/dbraw/zinc/30/17/54/571301754.db2.gz ZMSQAFAXQXWATI-UHFFFAOYSA-N 1 1 422.938 2.727 50 0 HFAAMO NS(=O)(=O)c1ccc(NC(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000010382282 571301755 /nfs/dbraw/zinc/30/17/55/571301755.db2.gz ZMSQAFAXQXWATI-UHFFFAOYSA-N 1 1 422.938 2.727 50 0 HFAAMO COc1ccc(NC(=O)[C@H]2C[C@H]3CCC[N@H+]3[C@]23c2ccccc2NC3=O)cc1OC ZINC000020512963 571314591 /nfs/dbraw/zinc/31/45/91/571314591.db2.gz XRWHDVMUJWVCOZ-QDOIMOTRSA-N 1 1 407.470 2.974 50 0 HFAAMO CCCC[N@@H+](CC)CCNC(=O)CN1c2ncccc2O[C@H](c2ccccc2)C1=O ZINC000006796404 132316790 /nfs/dbraw/zinc/31/67/90/132316790.db2.gz NRCFSUZLGYYPQA-OAQYLSRUSA-N 1 1 410.518 2.787 50 0 HFAAMO Cc1ccc2c(c1)N(C(=O)CCC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)CCO2 ZINC000006798177 132317155 /nfs/dbraw/zinc/31/71/55/132317155.db2.gz ZJBLFKYNGXGLED-KDURUIRLSA-N 1 1 401.551 2.985 50 0 HFAAMO CC(C)C[C@@H](CNC(=O)[C@@H](C)NC(=O)C12CC3CC(CC(C3)C1)C2)[NH+]1CCOCC1 ZINC000032909733 519210112 /nfs/dbraw/zinc/21/01/12/519210112.db2.gz SGMNPTMTGDYUMD-OSRZUJQASA-N 1 1 419.610 2.571 50 0 HFAAMO CCNc1cc(NCCNS(=O)(=O)c2ccccc2C(F)(F)F)[nH+]c(C)n1 ZINC000044213721 520274769 /nfs/dbraw/zinc/27/47/69/520274769.db2.gz ARHDYKCQXYEBBV-UHFFFAOYSA-N 1 1 403.430 2.626 50 0 HFAAMO Cc1ccc(C)c(NC(=O)[C@H](C)N(C)CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000032806116 524155219 /nfs/dbraw/zinc/15/52/19/524155219.db2.gz LKEIFNAAYSMLKR-NRFANRHFSA-N 1 1 422.573 2.907 50 0 HFAAMO Cc1ccc(N2C(=O)N(CC(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)C(=O)[C@H]2C)cc1 ZINC000032819941 524924822 /nfs/dbraw/zinc/92/48/22/524924822.db2.gz FHOXANYKJKSTFY-QUCCMNQESA-N 1 1 420.513 2.543 50 0 HFAAMO 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CN(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C(=O)c1cccc(-n2cccc2)c1 ZINC000023864828 558578500 /nfs/dbraw/zinc/57/85/00/558578500.db2.gz ZLFWSQARZAEUSI-UHFFFAOYSA-N 1 1 416.525 2.894 50 0 HFAAMO Cc1nc(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)nn1-c1ccc(Cl)cc1 ZINC000024001950 558584363 /nfs/dbraw/zinc/58/43/63/558584363.db2.gz DWNBYGQFNBFPLW-UHFFFAOYSA-N 1 1 417.941 2.994 50 0 HFAAMO C[NH+](C)[C@H](CNC(=O)CCn1cnc2sccc2c1=O)c1ccccc1Cl ZINC000024832921 558615466 /nfs/dbraw/zinc/61/54/66/558615466.db2.gz RMDSJZHMCMXTPC-MRXNPFEDSA-N 1 1 404.923 2.921 50 0 HFAAMO C[C@H]1c2ccsc2CC[N@@H+]1CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000027371952 558672620 /nfs/dbraw/zinc/67/26/20/558672620.db2.gz LSHDTVFVPPIPGL-INIZCTEOSA-N 1 1 422.572 2.767 50 0 HFAAMO CC[NH+](CC)CCN(C)C(=O)c1ccc(-c2ccsc2)nc1N1CCN(C)CC1 ZINC000014884360 558677247 /nfs/dbraw/zinc/67/72/47/558677247.db2.gz XJJJYNADIWQPJV-UHFFFAOYSA-N 1 1 415.607 2.976 50 0 HFAAMO COc1ccc(C(=O)NCCc2nnc3n2CC[N@H+](Cc2ccc(C)cc2)CC3)cc1 ZINC000014887394 558677856 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2.588 50 0 HFAAMO COC(=O)c1cccc(S(=O)(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)c1 ZINC000028059747 558690642 /nfs/dbraw/zinc/69/06/42/558690642.db2.gz NOYQXIPYSWNCCE-UHFFFAOYSA-N 1 1 402.516 2.588 50 0 HFAAMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](n3cc(C(=O)NC4CCCC4)nn3)C2)cc1 ZINC000014994842 558695786 /nfs/dbraw/zinc/69/57/86/558695786.db2.gz LINHULXWTZYRQP-HXUWFJFHSA-N 1 1 410.522 2.746 50 0 HFAAMO COc1cccc(C[N@H+](C)Cc2ccc(F)cc2)c1OC[C@@H](O)CN1CCOCC1 ZINC000015066234 558709195 /nfs/dbraw/zinc/70/91/95/558709195.db2.gz HHNAXXYZPMNQQV-NRFANRHFSA-N 1 1 418.509 2.538 50 0 HFAAMO COc1cccc(C[N@@H+](C)Cc2ccc(F)cc2)c1OC[C@@H](O)CN1CCOCC1 ZINC000015066234 558709198 /nfs/dbraw/zinc/70/91/98/558709198.db2.gz HHNAXXYZPMNQQV-NRFANRHFSA-N 1 1 418.509 2.538 50 0 HFAAMO COc1cc(CN(C)Cc2cccnc2)ccc1OC[C@@H](O)C[NH+]1CCSCC1 ZINC000015070678 558712529 /nfs/dbraw/zinc/71/25/29/558712529.db2.gz ABZYDPZFFPYBQF-FQEVSTJZSA-N 1 1 417.575 2.511 50 0 HFAAMO COc1ccc(CN(Cc2nccn2C)C(C)C)cc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000015073384 558714251 /nfs/dbraw/zinc/71/42/51/558714251.db2.gz VWSGTIBIQQWDPL-HXUWFJFHSA-N 1 1 418.582 2.919 50 0 HFAAMO C[C@@H](CCn1cccn1)N1CCC([NH+]2CCC(C(=O)NCc3cccnc3)CC2)CC1 ZINC000015075293 558715846 /nfs/dbraw/zinc/71/58/46/558715846.db2.gz VQZKPXXBRRZEHW-FQEVSTJZSA-N 1 1 424.593 2.550 50 0 HFAAMO C[C@@H](CCn1cccn1)[NH+]1CCC(N2CCC(C(=O)NCc3cccnc3)CC2)CC1 ZINC000015075293 558715848 /nfs/dbraw/zinc/71/58/48/558715848.db2.gz VQZKPXXBRRZEHW-FQEVSTJZSA-N 1 1 424.593 2.550 50 0 HFAAMO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N(CCC(N)=O)c2ccccc2OC)cc1 ZINC000029597657 558717565 /nfs/dbraw/zinc/71/75/65/558717565.db2.gz WMRHAYRYUKETMD-IBGZPJMESA-N 1 1 411.502 2.749 50 0 HFAAMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N(CCC(N)=O)c2ccccc2OC)cc1 ZINC000029597657 558717569 /nfs/dbraw/zinc/71/75/69/558717569.db2.gz WMRHAYRYUKETMD-IBGZPJMESA-N 1 1 411.502 2.749 50 0 HFAAMO CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000015301198 558731104 /nfs/dbraw/zinc/73/11/04/558731104.db2.gz MZSUUEUZRZOAQA-MSOLQXFVSA-N 1 1 402.491 2.539 50 0 HFAAMO CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000015301198 558731106 /nfs/dbraw/zinc/73/11/06/558731106.db2.gz MZSUUEUZRZOAQA-MSOLQXFVSA-N 1 1 402.491 2.539 50 0 HFAAMO Cc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCCC4)nc(C)[nH+]3)CC2)cc1C ZINC000015671246 558748239 /nfs/dbraw/zinc/74/82/39/558748239.db2.gz WWBMSRGOYTYIHP-UHFFFAOYSA-N 1 1 415.563 2.513 50 0 HFAAMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)CCc2ccccc2OC(F)(F)F)CC1 ZINC000072309333 558773019 /nfs/dbraw/zinc/77/30/19/558773019.db2.gz YTTRRLYCRLYMRH-CQSZACIVSA-N 1 1 402.413 2.614 50 0 HFAAMO C[NH+]1CCN(C(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)CC1 ZINC000000881329 558774485 /nfs/dbraw/zinc/77/44/85/558774485.db2.gz SBJAWOIQFAOGGA-UHFFFAOYSA-N 1 1 421.950 2.694 50 0 HFAAMO C[N@H+]1CCN2c3ccccc3C[C@@]3(C(=O)NC(=O)N(Cc4ccc(F)cc4)C3=O)[C@@H]2C1 ZINC000017042856 558812699 /nfs/dbraw/zinc/81/26/99/558812699.db2.gz IMAIZNBJZMIBAU-CVDCTZTESA-N 1 1 422.460 2.608 50 0 HFAAMO COc1cc(CN2CC[N@H+](Cc3ccc(F)cc3)[C@H](CCO)C2)cc2c1OCO2 ZINC000039468104 558821761 /nfs/dbraw/zinc/82/17/61/558821761.db2.gz NLAGWUMJCNEOBZ-LJQANCHMSA-N 1 1 402.466 2.632 50 0 HFAAMO COc1cc(CN2CC[N@@H+](Cc3ccc(F)cc3)[C@H](CCO)C2)cc2c1OCO2 ZINC000039468104 558821762 /nfs/dbraw/zinc/82/17/62/558821762.db2.gz NLAGWUMJCNEOBZ-LJQANCHMSA-N 1 1 402.466 2.632 50 0 HFAAMO Cc1ccc(Oc2ncccc2CNC(=O)C[C@@H]2CN(C)CC[N@H+]2C)c(F)c1F ZINC000039532527 558822083 /nfs/dbraw/zinc/82/20/83/558822083.db2.gz WRFJVTPJZPSQRH-MRXNPFEDSA-N 1 1 404.461 2.713 50 0 HFAAMO Cc1ccc(Oc2ncccc2CNC(=O)C[C@@H]2C[N@@H+](C)CCN2C)c(F)c1F ZINC000039532527 558822086 /nfs/dbraw/zinc/82/20/86/558822086.db2.gz WRFJVTPJZPSQRH-MRXNPFEDSA-N 1 1 404.461 2.713 50 0 HFAAMO Cc1ccc(Oc2ncccc2CNC(=O)C[C@@H]2C[N@H+](C)CCN2C)c(F)c1F ZINC000039532527 558822088 /nfs/dbraw/zinc/82/20/88/558822088.db2.gz WRFJVTPJZPSQRH-MRXNPFEDSA-N 1 1 404.461 2.713 50 0 HFAAMO COc1ccc(CN2CC[N@H+](Cc3ccc(F)cc3)[C@H](CCO)C2)c(OC)c1OC ZINC000039544210 558822335 /nfs/dbraw/zinc/82/23/35/558822335.db2.gz NDZIXFTZRHNKQL-HXUWFJFHSA-N 1 1 418.509 2.920 50 0 HFAAMO COc1ccc(CN2CC[N@@H+](Cc3ccc(F)cc3)[C@H](CCO)C2)c(OC)c1OC ZINC000039544210 558822338 /nfs/dbraw/zinc/82/23/38/558822338.db2.gz NDZIXFTZRHNKQL-HXUWFJFHSA-N 1 1 418.509 2.920 50 0 HFAAMO CCc1nnc(C(=O)Nc2ccc(C(=O)NCC[N@H+]3CCCC[C@H]3C)cc2)s1 ZINC000033011442 558830847 /nfs/dbraw/zinc/83/08/47/558830847.db2.gz SPFSPZZKODZAMV-CQSZACIVSA-N 1 1 401.536 2.957 50 0 HFAAMO Cc1nc(-c2cccc(NC(=O)NC[C@@H]([C@@H]3CCOC3)[NH+]3CCOCC3)c2)cs1 ZINC000058067115 558897791 /nfs/dbraw/zinc/89/77/91/558897791.db2.gz DQPJWTWQWWJMSU-XLIONFOSSA-N 1 1 416.547 2.977 50 0 HFAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)NCCCN3CCOCC3)cc2)C1 ZINC000058175431 558909215 /nfs/dbraw/zinc/90/92/15/558909215.db2.gz ZZLPOMOWJMOVTR-BGYRXZFFSA-N 1 1 402.583 2.686 50 0 HFAAMO OCCOc1ccccc1C[N@H+]1CCC[C@H](N2CCN(c3ccccc3F)CC2)C1 ZINC000019607697 558946575 /nfs/dbraw/zinc/94/65/75/558946575.db2.gz ADVVUGZFQNECJE-NRFANRHFSA-N 1 1 413.537 2.983 50 0 HFAAMO COc1ccc(NC(=O)N2CCN(c3cc(N(C)C)nc(C)[nH+]3)CC2)cc1Cl ZINC000065362579 558973417 /nfs/dbraw/zinc/97/34/17/558973417.db2.gz NAUURMRLSCFIIJ-UHFFFAOYSA-N 1 1 404.902 2.867 50 0 HFAAMO CCOc1ccccc1NC(=O)N1CCN(c2cc(-n3ccnc3)nc(C)[nH+]2)CC1 ZINC000065364893 558975956 /nfs/dbraw/zinc/97/59/56/558975956.db2.gz SIHVZTSRTFCECN-UHFFFAOYSA-N 1 1 407.478 2.724 50 0 HFAAMO OCC[NH+]1CCN(c2ccc(-c3nc(-c4cccc(C(F)(F)F)c4)no3)cn2)CC1 ZINC000072418163 558978097 /nfs/dbraw/zinc/97/80/97/558978097.db2.gz PPJGLPWHZQSUSM-UHFFFAOYSA-N 1 1 419.407 2.932 50 0 HFAAMO CCCO[C@H]1CCCN(Cc2c(C(=O)N3CCC[N@@H+](C)CC3)nc3sccn23)C1 ZINC000067641453 558990654 /nfs/dbraw/zinc/99/06/54/558990654.db2.gz GYKLAAPOWFEVIM-KRWDZBQOSA-N 1 1 419.595 2.565 50 0 HFAAMO CC(C)OCCOCc1cccc(NC(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000097164684 558998515 /nfs/dbraw/zinc/99/85/15/558998515.db2.gz IPMGCNSGMUPYLL-HXUWFJFHSA-N 1 1 405.539 2.814 50 0 HFAAMO C[N@H+](CCc1ccccc1)CCN1CC2(CCN(C(=O)c3ccc[nH]3)CC2)OC1=O ZINC000077300411 559000819 /nfs/dbraw/zinc/00/08/19/559000819.db2.gz IKJKFIODOFLLDA-UHFFFAOYSA-N 1 1 410.518 2.616 50 0 HFAAMO C[NH+]1CCN(c2nc3ccc(NC(=O)Cc4ccc5c(c4)OCO5)cc3s2)CC1 ZINC000023135869 559018729 /nfs/dbraw/zinc/01/87/29/559018729.db2.gz ADJXGWSTMBJXIW-UHFFFAOYSA-N 1 1 410.499 2.958 50 0 HFAAMO Cc1csc(CNC(=O)[C@@H]2CCC[N@H+](C3CCN(Cc4cccnc4)CC3)C2)n1 ZINC000082091184 559036876 /nfs/dbraw/zinc/03/68/76/559036876.db2.gz TZKGDAFHUHWEIM-LJQANCHMSA-N 1 1 413.591 2.839 50 0 HFAAMO Cc1ccc(N2CCC([N@H+]3CCC[C@H](C(=O)NCCc4ccccc4)C3)CC2)nn1 ZINC000082099455 559037951 /nfs/dbraw/zinc/03/79/51/559037951.db2.gz SHFWCUGPJGFVTM-NRFANRHFSA-N 1 1 407.562 2.825 50 0 HFAAMO O=C(NCc1ccccn1)[C@H]1CCC[N@H+](C2CCN(C(=O)c3ccccc3)CC2)C1 ZINC000082127494 559040059 /nfs/dbraw/zinc/04/00/59/559040059.db2.gz QUANXXDQFIDNSP-FQEVSTJZSA-N 1 1 406.530 2.715 50 0 HFAAMO Cc1cccc(CN2CCC([N@H+]3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)n1 ZINC000082138579 559040678 /nfs/dbraw/zinc/04/06/78/559040678.db2.gz NBAZEBQTIGAXEM-FQEVSTJZSA-N 1 1 407.562 2.778 50 0 HFAAMO Cc1[nH+]ccn1-c1cc(NCCNC(=O)c2ccccc2Br)ncn1 ZINC000082230280 559042649 /nfs/dbraw/zinc/04/26/49/559042649.db2.gz XJEOYRIQUZDKMX-UHFFFAOYSA-N 1 1 401.268 2.575 50 0 HFAAMO CC[NH+]1CCN(C(=O)Cc2c(C)nc3nc(-c4ccccc4Cl)nn3c2C)CC1 ZINC000086069636 559059297 /nfs/dbraw/zinc/05/92/97/559059297.db2.gz ZQOXZEKMRKWJFN-UHFFFAOYSA-N 1 1 412.925 2.768 50 0 HFAAMO O=C(NCc1cc2n(n1)CC[N@H+](C1CCCCC1)C2)[C@H]1CC(=O)OC12CCCC2 ZINC000091793401 559073488 /nfs/dbraw/zinc/07/34/88/559073488.db2.gz LGDBJPNOSYUWLC-LJQANCHMSA-N 1 1 400.523 2.524 50 0 HFAAMO Nc1cc(N2CCC(c3[nH+]ccn3Cc3ccncc3)CC2)nc(N2CCCC2)n1 ZINC000095511830 559084038 /nfs/dbraw/zinc/08/40/38/559084038.db2.gz TZHVQAXNUKFGLL-UHFFFAOYSA-N 1 1 404.522 2.683 50 0 HFAAMO CCN1CCN(C[C@@H](O)COc2cccc(C[N@@H+]3CCC4(CCCC4)C3)c2)CC1 ZINC000095511454 559084068 /nfs/dbraw/zinc/08/40/68/559084068.db2.gz GLZZBMUDNLLUCO-JOCHJYFZSA-N 1 1 401.595 2.830 50 0 HFAAMO CCN1CCN(C[C@@H](O)COc2cccc(C[N@H+]3CCC4(CCCC4)C3)c2)CC1 ZINC000095511454 559084069 /nfs/dbraw/zinc/08/40/69/559084069.db2.gz GLZZBMUDNLLUCO-JOCHJYFZSA-N 1 1 401.595 2.830 50 0 HFAAMO CC(C)NC(=O)N1CCC(CCC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000095512569 559084266 /nfs/dbraw/zinc/08/42/66/559084266.db2.gz JCWUEQCILDNLFP-NRFANRHFSA-N 1 1 400.567 2.987 50 0 HFAAMO CN1CCN(C2=Nc3ccccc3C(N3CC[NH+](C)CC3)=Nc3ccccc32)CC1 ZINC000101358517 559146595 /nfs/dbraw/zinc/14/65/95/559146595.db2.gz IUCKHGCXVQEKKL-UHFFFAOYSA-N 1 1 402.546 2.651 50 0 HFAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCCNC(=O)Cn1ncc2c3ccccc3n(C)c2c1=O ZINC000004916448 559204229 /nfs/dbraw/zinc/20/42/29/559204229.db2.gz AGCIPFGDZHAOGJ-CALCHBBNSA-N 1 1 409.534 2.657 50 0 HFAAMO COCC[N@H+]1CC[C@@H](CNC(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)C1 ZINC000078714422 560540348 /nfs/dbraw/zinc/54/03/48/560540348.db2.gz XZYWRDOKYHUVRZ-KRWDZBQOSA-N 1 1 400.523 2.877 50 0 HFAAMO Cc1ccccc1N1C(=O)C[C@@H]([NH+]2CCC(C(=O)Nc3ccccc3O)CC2)C1=O ZINC000101490851 560795907 /nfs/dbraw/zinc/79/59/07/560795907.db2.gz IADVJRDSYQSAAH-LJQANCHMSA-N 1 1 407.470 2.683 50 0 HFAAMO O=c1cc(C[NH+]2CCN(c3ccccc3)CC2)[nH]c2nc(-c3ccc(F)cc3)nn21 ZINC000101841766 560801274 /nfs/dbraw/zinc/80/12/74/560801274.db2.gz WZUVLSXSSPAFOW-UHFFFAOYSA-N 1 1 404.449 2.546 50 0 HFAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)CCC(=O)c2ccc3c(c2)OCCO3)ccn1 ZINC000047012113 560879737 /nfs/dbraw/zinc/87/97/37/560879737.db2.gz HEMSAOLGJHXMJZ-UHFFFAOYSA-N 1 1 406.442 2.626 50 0 HFAAMO CCOC(=O)c1c(NC(=O)C[N@@H+]2CCCC[C@H]2CC(N)=O)sc2c1CC[C@H](C)C2 ZINC000110570769 560880193 /nfs/dbraw/zinc/88/01/93/560880193.db2.gz YWDGFNXCIAZBNC-KBPBESRZSA-N 1 1 421.563 2.718 50 0 HFAAMO CCOC(=O)c1c(NC(=O)C[N@H+]2CCCC[C@H]2CC(N)=O)sc2c1CC[C@H](C)C2 ZINC000110570769 560880195 /nfs/dbraw/zinc/88/01/95/560880195.db2.gz YWDGFNXCIAZBNC-KBPBESRZSA-N 1 1 421.563 2.718 50 0 HFAAMO COc1cccc(Cn2c(CNC(=O)[C@H](C)Cn3cc[nH+]c3C)nc3cccnc32)c1 ZINC000047145822 560882260 /nfs/dbraw/zinc/88/22/60/560882260.db2.gz FQPZLRKWXYPIMJ-MRXNPFEDSA-N 1 1 418.501 2.946 50 0 HFAAMO CC[C@H]1CN(C(=O)Cc2ccc(NC(=O)OC(C)(C)C)cc2)CC[N@H+]1C[C@H](C)O ZINC000108089284 560897938 /nfs/dbraw/zinc/89/79/38/560897938.db2.gz OTJSLRTUMMSBFO-LPHOPBHVSA-N 1 1 405.539 2.880 50 0 HFAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)C1 ZINC000048325902 568438831 /nfs/dbraw/zinc/43/88/31/568438831.db2.gz LDNRWLWRLKEKPE-ZVDOUQERSA-N 1 1 421.607 2.714 50 0 HFAAMO O=C(COc1coc(C[NH+]2CCCCC2)cc1=O)NCCc1c[nH]c2ccccc12 ZINC000049543603 568451149 /nfs/dbraw/zinc/45/11/49/568451149.db2.gz QDBANFZGCXQZEE-UHFFFAOYSA-N 1 1 409.486 2.845 50 0 biogenic HFAAMO CCn1c(=O)cc(OCC(=O)N2CC[NH+](Cc3ccccc3)CC2)c2ccccc21 ZINC000020280323 568596678 /nfs/dbraw/zinc/59/66/78/568596678.db2.gz OKKMEMJJMGCJOL-UHFFFAOYSA-N 1 1 405.498 2.745 50 0 HFAAMO CC[C@@H](C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000020761110 568642266 /nfs/dbraw/zinc/64/22/66/568642266.db2.gz LSADHWHCJVSXOO-JYRKZWEQSA-N 1 1 421.607 2.760 50 0 biogenic HFAAMO Cn1nc(-c2ccccc2F)c2cc(C(=O)NCCC[NH+]3CCOCC3)sc21 ZINC000020855981 568645405 /nfs/dbraw/zinc/64/54/05/568645405.db2.gz DQNUFXHKNRHGDC-UHFFFAOYSA-N 1 1 402.495 2.893 50 0 HFAAMO CC[C@@H]1C[N@@H+](CC(C)(C)O)[C@H](CC)CN1C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000225524548 568646875 /nfs/dbraw/zinc/64/68/75/568646875.db2.gz FVMMINMOUJMXMZ-ZIAGYGMSSA-N 1 1 405.465 2.923 50 0 HFAAMO COC(=O)c1ccc(-c2ccco2)n1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020902553 568650379 /nfs/dbraw/zinc/65/03/79/568650379.db2.gz NNBSWAKHJUOURK-UHFFFAOYSA-N 1 1 407.470 2.879 50 0 HFAAMO Cc1nn(-c2cccc(C)c2)c(-n2cccc2)c1C(=O)NCCC[NH+]1CCOCC1 ZINC000020979213 568654235 /nfs/dbraw/zinc/65/42/35/568654235.db2.gz OLHKXPORYPZRRC-UHFFFAOYSA-N 1 1 407.518 2.732 50 0 HFAAMO CSCC[C@@H](NC(=O)c1ccccc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000021005194 568657572 /nfs/dbraw/zinc/65/75/72/568657572.db2.gz IWKZZTZGBGPJLC-OAQYLSRUSA-N 1 1 411.571 2.883 50 0 HFAAMO CSc1ccc(S(=O)(=O)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1 ZINC000096006758 568682950 /nfs/dbraw/zinc/68/29/50/568682950.db2.gz ADUQLUNQTGAHBE-GOSISDBHSA-N 1 1 406.573 2.844 50 0 HFAAMO O=C1Nc2ccc(Cl)cc2[C@]12[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000229654475 568714995 /nfs/dbraw/zinc/71/49/95/568714995.db2.gz NHCQRBNPGXRMQS-LVBDUCALSA-N 1 1 421.884 2.767 50 0 HFAAMO O=C1Nc2ccc(Cl)cc2[C@]12[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000229654475 568714996 /nfs/dbraw/zinc/71/49/96/568714996.db2.gz NHCQRBNPGXRMQS-LVBDUCALSA-N 1 1 421.884 2.767 50 0 HFAAMO CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)[N@@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000239672499 568729733 /nfs/dbraw/zinc/72/97/33/568729733.db2.gz BTLTWPXPGIDNCO-GHTZIAJQSA-N 1 1 424.545 2.721 50 0 HFAAMO CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)[N@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000239672499 568729736 /nfs/dbraw/zinc/72/97/36/568729736.db2.gz BTLTWPXPGIDNCO-GHTZIAJQSA-N 1 1 424.545 2.721 50 0 HFAAMO CNC(=O)Cc1noc(C[N@H+](Cc2ccc(OC)c(OC)c2)[C@@H]2CCCC[C@@H]2C)n1 ZINC000557226692 568736498 /nfs/dbraw/zinc/73/64/98/568736498.db2.gz RSPGZNOMVHSSNX-DOTOQJQBSA-N 1 1 416.522 2.956 50 0 HFAAMO CNC(=O)Cc1noc(C[N@@H+](Cc2ccc(OC)c(OC)c2)[C@@H]2CCCC[C@@H]2C)n1 ZINC000557226692 568736499 /nfs/dbraw/zinc/73/64/99/568736499.db2.gz RSPGZNOMVHSSNX-DOTOQJQBSA-N 1 1 416.522 2.956 50 0 HFAAMO CNC(=O)Cc1noc(C[N@H+](Cc2ccc(OC)c(OC)c2)[C@H]2CCCC[C@H]2C)n1 ZINC000557226698 568736536 /nfs/dbraw/zinc/73/65/36/568736536.db2.gz RSPGZNOMVHSSNX-WBVHZDCISA-N 1 1 416.522 2.956 50 0 HFAAMO CNC(=O)Cc1noc(C[N@@H+](Cc2ccc(OC)c(OC)c2)[C@H]2CCCC[C@H]2C)n1 ZINC000557226698 568736537 /nfs/dbraw/zinc/73/65/37/568736537.db2.gz RSPGZNOMVHSSNX-WBVHZDCISA-N 1 1 416.522 2.956 50 0 HFAAMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000025477302 568770829 /nfs/dbraw/zinc/77/08/29/568770829.db2.gz WSEFFJLOBULEBD-QFIPXVFZSA-N 1 1 423.513 2.566 50 0 HFAAMO [NH2+]=C1Nc2nc3cc4c(cc3n2[C@H](c2ccc(OC(F)F)cc2)N1)OCCCO4 ZINC000012507220 568839644 /nfs/dbraw/zinc/83/96/44/568839644.db2.gz KPBAUZLOQLLUPO-MRXNPFEDSA-N 1 1 401.373 2.895 50 0 HFAAMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000230138055 568851235 /nfs/dbraw/zinc/85/12/35/568851235.db2.gz RCJZEOFAUUSDOA-HFTRVMKXSA-N 1 1 411.468 2.853 50 0 HFAAMO Cn1nc(C(=O)N2CC[NH+](Cc3ccc(-c4cccc(F)c4)s3)CC2)ccc1=O ZINC000030181217 568858591 /nfs/dbraw/zinc/85/85/91/568858591.db2.gz OCNOZDOABAFOHJ-UHFFFAOYSA-N 1 1 412.490 2.606 50 0 HFAAMO C/C=C(\C)C[N@@H+]1CCc2c(C(=O)NCc3ccsc3)c(OC)cc(=O)n2CC1 ZINC000299755295 568872664 /nfs/dbraw/zinc/87/26/64/568872664.db2.gz GACNYZXLMCLZME-SYZQJQIISA-N 1 1 401.532 2.673 50 0 HFAAMO C/C=C(\C)C[N@H+]1CCc2c(C(=O)NCc3ccsc3)c(OC)cc(=O)n2CC1 ZINC000299755295 568872666 /nfs/dbraw/zinc/87/26/66/568872666.db2.gz GACNYZXLMCLZME-SYZQJQIISA-N 1 1 401.532 2.673 50 0 HFAAMO CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)c1cc2c(c(Cl)c1)OCO2 ZINC000058023153 568878156 /nfs/dbraw/zinc/87/81/56/568878156.db2.gz WMAXYZNBNMPAOY-HNNXBMFYSA-N 1 1 410.898 2.948 50 0 HFAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000263585274 568878569 /nfs/dbraw/zinc/87/85/69/568878569.db2.gz GYPZCSZYZUCJAX-JAXLGGSGSA-N 1 1 413.562 2.779 50 0 biogenic HFAAMO C[NH+](C)CCCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC000003363249 568888463 /nfs/dbraw/zinc/88/84/63/568888463.db2.gz WCEZTIBTLOSZKO-UHFFFAOYSA-N 1 1 413.902 2.961 50 0 HFAAMO COCC1CCN(S(=O)(=O)NCC[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000670444442 568903810 /nfs/dbraw/zinc/90/38/10/568903810.db2.gz YDMGDBWMCIRQCH-OAQYLSRUSA-N 1 1 409.596 2.624 50 0 HFAAMO Cc1cc(=O)c(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)nn1-c1ccccc1F ZINC000012680868 568907931 /nfs/dbraw/zinc/90/79/31/568907931.db2.gz NXJZVIZTXJZJNX-GOSISDBHSA-N 1 1 410.449 2.840 50 0 HFAAMO CN(C)C(=O)CC[NH+]1CCN(C(=O)CCCOc2cccc(Cl)c2Cl)CC1 ZINC000083844019 568918536 /nfs/dbraw/zinc/91/85/36/568918536.db2.gz JAHUHIAUMFHWHA-UHFFFAOYSA-N 1 1 416.349 2.775 50 0 HFAAMO C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC000012743697 568930241 /nfs/dbraw/zinc/93/02/41/568930241.db2.gz WOKKGUXPCBEUTP-ZDUSSCGKSA-N 1 1 414.333 2.891 50 0 HFAAMO CCCNC(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000004064367 568937312 /nfs/dbraw/zinc/93/73/12/568937312.db2.gz JOZUTRHSMRQYDN-HYVJGQCMSA-N 1 1 420.550 2.907 50 0 biogenic HFAAMO CCCNC(=O)C[N@H+]1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000004064367 568937313 /nfs/dbraw/zinc/93/73/13/568937313.db2.gz JOZUTRHSMRQYDN-HYVJGQCMSA-N 1 1 420.550 2.907 50 0 biogenic HFAAMO Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000012758623 568943580 /nfs/dbraw/zinc/94/35/80/568943580.db2.gz KRQZCVGUVULQIL-LJQANCHMSA-N 1 1 423.966 2.931 50 0 HFAAMO Cc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(C(=O)NCc4ccccc4)CC3)C2=O)c(C)c1 ZINC000012773031 568952596 /nfs/dbraw/zinc/95/25/96/568952596.db2.gz WMYNNZGZBQXDEF-JOCHJYFZSA-N 1 1 419.525 2.964 50 0 HFAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1c(C)oc2ncnc(N3CCOCC3)c21 ZINC000015727688 568978713 /nfs/dbraw/zinc/97/87/13/568978713.db2.gz FKHSDNQHYHLJIF-QGZVFWFLSA-N 1 1 415.538 2.752 50 0 HFAAMO COc1ccc(OC[C@@H](O)C[NH+]2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000012819932 568991723 /nfs/dbraw/zinc/99/17/23/568991723.db2.gz WBWUJFWOMUJZLN-INIZCTEOSA-N 1 1 411.424 2.671 50 0 HFAAMO COc1ccc2c(c1)CCc1c(C(=O)N3CCC(CC[NH+]4CCOCC4)CC3)n[nH]c1-2 ZINC000015772883 568998868 /nfs/dbraw/zinc/99/88/68/568998868.db2.gz SJVTXJAHWREYAU-UHFFFAOYSA-N 1 1 424.545 2.758 50 0 HFAAMO CCOc1ccccc1C[N@@H+]1CCN(Cc2ccc(OC)c(O)c2)C[C@H]1CCO ZINC000107100199 569009115 /nfs/dbraw/zinc/00/91/15/569009115.db2.gz PCYQMEKSPLBSBC-HXUWFJFHSA-N 1 1 400.519 2.868 50 0 HFAAMO CCOc1ccccc1C[N@H+]1CCN(Cc2ccc(OC)c(O)c2)C[C@H]1CCO ZINC000107100199 569009116 /nfs/dbraw/zinc/00/91/16/569009116.db2.gz PCYQMEKSPLBSBC-HXUWFJFHSA-N 1 1 400.519 2.868 50 0 HFAAMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN(C)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000012868146 569012314 /nfs/dbraw/zinc/01/23/14/569012314.db2.gz WCWKQZNOTWERFQ-MRXNPFEDSA-N 1 1 402.366 2.898 50 0 HFAAMO O=C(CN1CCC(C(=O)Nc2ccccc2)CC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012912255 569021792 /nfs/dbraw/zinc/02/17/92/569021792.db2.gz DDAJJQYXETXIEP-HSZRJFAPSA-N 1 1 420.557 2.728 50 0 HFAAMO Cc1nn2c(nc(N3CCC[N@H+](CC(=O)NC(C)C)CC3)c3ccccc32)c1Cl ZINC000012929838 569024417 /nfs/dbraw/zinc/02/44/17/569024417.db2.gz TYRPQKSQCGLYHU-UHFFFAOYSA-N 1 1 414.941 2.881 50 0 HFAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)CCCNC(=O)OCc2ccccc2)ccn1 ZINC000053398397 569030527 /nfs/dbraw/zinc/03/05/27/569030527.db2.gz WHZDRTJXPFTNAE-UHFFFAOYSA-N 1 1 407.474 2.899 50 0 HFAAMO COc1ccc(CNC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000035363880 569033593 /nfs/dbraw/zinc/03/35/93/569033593.db2.gz GWZMFQLITHUZQN-FCHUYYIVSA-N 1 1 409.530 2.557 50 0 biogenic HFAAMO COCCCN(C[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)c1cnn(C)c1-n1cccc1 ZINC000583647605 569041760 /nfs/dbraw/zinc/04/17/60/569041760.db2.gz RGZYSWNNGTWUCA-FPOVZHCZSA-N 1 1 413.566 2.954 50 0 biogenic HFAAMO CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000245242203 569055304 /nfs/dbraw/zinc/05/53/04/569055304.db2.gz JGNGGJRBZOPUSD-AZXNSQLWSA-N 1 1 419.456 2.819 50 0 HFAAMO Cc1noc(C)c1CN1CCc2c(C(=O)N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)csc2C1 ZINC000426428394 569073001 /nfs/dbraw/zinc/07/30/01/569073001.db2.gz SUVRPZHLTUCGRJ-IYBDPMFKSA-N 1 1 400.548 2.545 50 0 HFAAMO O=C(C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccc(F)c(F)c1)C2=O)N1CCCCC1 ZINC000426444619 569073062 /nfs/dbraw/zinc/07/30/62/569073062.db2.gz OZXIXTGZRZKTSB-JOCHJYFZSA-N 1 1 405.489 2.792 50 0 HFAAMO O[C@@H](COCc1ccccc1)C[N@H+](CCN1CCOCC1)Cc1ccc(F)cc1F ZINC000036104002 569092241 /nfs/dbraw/zinc/09/22/41/569092241.db2.gz XJVYJMJIZMUSON-JOCHJYFZSA-N 1 1 420.500 2.677 50 0 HFAAMO O[C@@H](COCc1ccccc1)C[N@@H+](CCN1CCOCC1)Cc1ccc(F)cc1F ZINC000036104002 569092243 /nfs/dbraw/zinc/09/22/43/569092243.db2.gz XJVYJMJIZMUSON-JOCHJYFZSA-N 1 1 420.500 2.677 50 0 HFAAMO Cc1[nH+]c2cc3c(cc2n1CC(=O)NCCOc1ccc(Cl)cc1)OCCO3 ZINC000064795044 569096291 /nfs/dbraw/zinc/09/62/91/569096291.db2.gz FFMKEXHMXXFHCJ-UHFFFAOYSA-N 1 1 401.850 2.965 50 0 HFAAMO CCCC(=O)OC[C@@H](O)C[N@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C(C)C ZINC000036156703 569101601 /nfs/dbraw/zinc/10/16/01/569101601.db2.gz ZEJLDJDSKTWRDO-AWEZNQCLSA-N 1 1 421.563 2.778 50 0 HFAAMO CCCC(=O)OC[C@@H](O)C[N@@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C(C)C ZINC000036156703 569101603 /nfs/dbraw/zinc/10/16/03/569101603.db2.gz ZEJLDJDSKTWRDO-AWEZNQCLSA-N 1 1 421.563 2.778 50 0 HFAAMO CCOC[C@H](O)C[N@@H+](CCOC)Cc1c(-c2ccccc2)noc1N1CCCC1 ZINC000036249774 569119233 /nfs/dbraw/zinc/11/92/33/569119233.db2.gz NPBWTLNOUDVJPN-LJQANCHMSA-N 1 1 403.523 2.788 50 0 HFAAMO COc1ccc(C[N@@H+](C[C@@H](O)COCc2ccco2)C[C@@H]2CCCO2)cc1OC ZINC000169678138 569126813 /nfs/dbraw/zinc/12/68/13/569126813.db2.gz UROMPUZNUDCWCU-MOPGFXCFSA-N 1 1 405.491 2.856 50 0 HFAAMO CCOC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)noc1N1CCOCC1)CC1CC1 ZINC000036314007 569133873 /nfs/dbraw/zinc/13/38/73/569133873.db2.gz RYUXICPEQWZTBL-HXUWFJFHSA-N 1 1 415.534 2.788 50 0 HFAAMO COc1ccc(C2=NN(C(=O)CN3CC[NH+](C)CC3)[C@H](c3ccccc3)C2)c(OC)c1 ZINC000036341653 569141992 /nfs/dbraw/zinc/14/19/92/569141992.db2.gz AJVYNWXPXSPQSC-QFIPXVFZSA-N 1 1 422.529 2.629 50 0 HFAAMO COc1ccccc1[C@H]1CC(c2cccc(F)c2)=NN1C(=O)CN1CC[NH+](C)CC1 ZINC000036345396 569143192 /nfs/dbraw/zinc/14/31/92/569143192.db2.gz WDNIJAMTMLXWQF-OAQYLSRUSA-N 1 1 410.493 2.759 50 0 HFAAMO CCCn1c2ccccc2c2cnn(CC(=O)NCC[N@H+]3CCCC[C@H]3C)c(=O)c21 ZINC000006900119 569176222 /nfs/dbraw/zinc/17/62/22/569176222.db2.gz WABOBCSRNZXLSF-QGZVFWFLSA-N 1 1 409.534 2.752 50 0 HFAAMO Cc1ccc(Sc2nccnc2N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000065102484 569178565 /nfs/dbraw/zinc/17/85/65/569178565.db2.gz CFNAGYHVGQMEJX-UHFFFAOYSA-N 1 1 411.575 2.927 50 0 HFAAMO COc1ccc(C[N@H+](C)C[C@@H](O)COc2ccc(C(C)=O)cc2OC)c(OC)c1 ZINC000007060515 569214142 /nfs/dbraw/zinc/21/41/42/569214142.db2.gz UCFRCDSEDMADQS-GOSISDBHSA-N 1 1 403.475 2.787 50 0 HFAAMO COc1ccc(C[N@@H+](C)C[C@@H](O)COc2ccc(C(C)=O)cc2OC)c(OC)c1 ZINC000007060515 569214143 /nfs/dbraw/zinc/21/41/43/569214143.db2.gz UCFRCDSEDMADQS-GOSISDBHSA-N 1 1 403.475 2.787 50 0 HFAAMO O=C(C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)NC(=O)NCC(F)(F)F ZINC000007582451 569282136 /nfs/dbraw/zinc/28/21/36/569282136.db2.gz FGXBSJOZKKBIJE-LLVKDONJSA-N 1 1 400.426 2.864 50 0 HFAAMO O=C(C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)NC(=O)NCC(F)(F)F ZINC000007582451 569282137 /nfs/dbraw/zinc/28/21/37/569282137.db2.gz FGXBSJOZKKBIJE-LLVKDONJSA-N 1 1 400.426 2.864 50 0 HFAAMO COc1c2c(c(CNC(=O)c3ccc4c(ccn4C)c3)c3c1C[N@@H+](C)CC3)OCO2 ZINC000526052604 569317634 /nfs/dbraw/zinc/31/76/34/569317634.db2.gz SZFQHQNMUAHKND-UHFFFAOYSA-N 1 1 407.470 2.834 50 0 HFAAMO Cc1sc2ncn(CCC(=O)NC[C@H]3CCC[N@H+]4CCCC[C@H]34)c(=O)c2c1C ZINC000225412386 569395080 /nfs/dbraw/zinc/39/50/80/569395080.db2.gz VIVLNZLLLPKUNC-IAGOWNOFSA-N 1 1 402.564 2.846 50 0 biogenic HFAAMO CSc1cccc(NC(=S)N2CCC([N@@H+](C)CCN3CCOCC3)CC2)c1 ZINC000019360008 569420391 /nfs/dbraw/zinc/42/03/91/569420391.db2.gz SJJFQWABZIOUQV-UHFFFAOYSA-N 1 1 408.637 2.834 50 0 HFAAMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NS(=O)(=O)c2ccc3c(c2)C(=O)NCC3)cc1 ZINC000079048536 569425334 /nfs/dbraw/zinc/42/53/34/569425334.db2.gz PXNFDEHDSFDNAH-CQSZACIVSA-N 1 1 410.499 2.506 50 0 HFAAMO COc1ccc([C@@H](CNC(=O)C[N@@H+]2CCC[C@H](O)C2)c2c[nH]c3ccccc32)cc1 ZINC000039519526 571132514 /nfs/dbraw/zinc/13/25/14/571132514.db2.gz SQLHTDDHMVXOGF-GHTZIAJQSA-N 1 1 407.514 2.881 50 0 HFAAMO COc1ccc([C@@H](CNC(=O)C[N@H+]2CCC[C@H](O)C2)c2c[nH]c3ccccc32)cc1 ZINC000039519526 571132515 /nfs/dbraw/zinc/13/25/15/571132515.db2.gz SQLHTDDHMVXOGF-GHTZIAJQSA-N 1 1 407.514 2.881 50 0 HFAAMO CCc1ccc([C@@H]([NH2+]CC(=O)N(C)[C@H]2CCS(=O)(=O)C2)c2cccs2)cc1 ZINC000039990635 571136660 /nfs/dbraw/zinc/13/66/60/571136660.db2.gz XMMQJULDTHWQQE-FXAWDEMLSA-N 1 1 406.573 2.635 50 0 HFAAMO CC[C@@](C)(CNC(=O)Nc1cc(C(=O)OC)ccc1N1CCCC1)[NH+]1CCOCC1 ZINC000040104468 571165412 /nfs/dbraw/zinc/16/54/12/571165412.db2.gz NHBXAYLBZYEHHK-QFIPXVFZSA-N 1 1 418.538 2.696 50 0 HFAAMO C[N@H+]1CCCN(c2ccc(NC(=O)N3CCC(C4OCCO4)CC3)cc2F)CC1 ZINC000069240048 571215215 /nfs/dbraw/zinc/21/52/15/571215215.db2.gz BXOQKDHHIQTDEC-UHFFFAOYSA-N 1 1 406.502 2.584 50 0 HFAAMO COc1ccccc1CCNC(=O)C1CCN(c2cc(-n3cc[nH+]c3C)ncn2)CC1 ZINC000070637901 571270624 /nfs/dbraw/zinc/27/06/24/571270624.db2.gz TVUNRAFHRUAZCE-UHFFFAOYSA-N 1 1 420.517 2.555 50 0 HFAAMO CC(=O)Nc1ccc(C[N@@H+]2CCN(Cc3ccc(F)c(F)c3)[C@H](CCO)C2)cc1 ZINC000036385830 519716677 /nfs/dbraw/zinc/71/66/77/519716677.db2.gz RQJLKORDBQSUTN-HXUWFJFHSA-N 1 1 403.473 2.992 50 0 HFAAMO CC(=O)Nc1ccc(C[N@H+]2CCN(Cc3ccc(F)c(F)c3)[C@H](CCO)C2)cc1 ZINC000036385830 519716679 /nfs/dbraw/zinc/71/66/79/519716679.db2.gz RQJLKORDBQSUTN-HXUWFJFHSA-N 1 1 403.473 2.992 50 0 HFAAMO CC[N@H+](CCCN1C(=O)NC(C)(C)C1=O)CC(=O)Nc1c(Cl)cccc1Cl ZINC000032916354 521011875 /nfs/dbraw/zinc/01/18/75/521011875.db2.gz NPHLYJCQWCXYBB-UHFFFAOYSA-N 1 1 415.321 2.974 50 0 HFAAMO 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558275108 /nfs/dbraw/zinc/27/51/08/558275108.db2.gz HDUBMSQJVWQBRC-KRWDZBQOSA-N 1 1 400.523 2.955 50 0 HFAAMO Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000019865393 558298796 /nfs/dbraw/zinc/29/87/96/558298796.db2.gz YNKDGXMYPCVFLF-SILNSSARSA-N 1 1 413.543 2.666 50 0 HFAAMO CC[C@@H]1C[N@H+](CCNC(=O)c2ccc3c(c2)OCCO3)Cc2cc(OC)ccc2O1 ZINC000012025693 558309982 /nfs/dbraw/zinc/30/99/82/558309982.db2.gz QSBVBRGANOTAKT-GOSISDBHSA-N 1 1 412.486 2.869 50 0 HFAAMO CC[C@@H]1C[N@@H+](CCNC(=O)c2ccc3c(c2)OCCO3)Cc2cc(OC)ccc2O1 ZINC000012025693 558309984 /nfs/dbraw/zinc/30/99/84/558309984.db2.gz QSBVBRGANOTAKT-GOSISDBHSA-N 1 1 412.486 2.869 50 0 HFAAMO Cc1cnc(CNCc2ccc(OC[C@@H](O)C[N@H+](C)Cc3ccccc3)cc2)cn1 ZINC000012051370 558314177 /nfs/dbraw/zinc/31/41/77/558314177.db2.gz IMQUJJZIFWMHIX-QHCPKHFHSA-N 1 1 406.530 2.947 50 0 HFAAMO CS(=O)(=O)N(CCCC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000020018658 558320564 /nfs/dbraw/zinc/32/05/64/558320564.db2.gz AUKOXFNEUINAJB-UHFFFAOYSA-N 1 1 415.559 2.577 50 0 HFAAMO CCOC(=O)CCNC(=O)N(C)C[C@H]1CCC[N@@H+](CCc2ccc(OC)cc2)C1 ZINC000012111973 558326386 /nfs/dbraw/zinc/32/63/86/558326386.db2.gz QJGAPZKYIHUYAY-LJQANCHMSA-N 1 1 405.539 2.544 50 0 HFAAMO CCOC(=O)c1oc2ccc(Br)cc2c1NC(=O)CN1CC[NH+](C)CC1 ZINC000020149846 558340397 /nfs/dbraw/zinc/34/03/97/558340397.db2.gz WGXCYXOTZCPXPU-UHFFFAOYSA-N 1 1 424.295 2.558 50 0 HFAAMO Cc1ccc(C[N@@H+]2CCc3nnc([C@@H](NC(=O)[C@@H]4CCOC4)C(C)C)n3CC2)s1 ZINC000020166967 558342886 /nfs/dbraw/zinc/34/28/86/558342886.db2.gz XUZIYTXDVCZTOG-APWZRJJASA-N 1 1 417.579 2.556 50 0 HFAAMO CCOC(=O)N1CCC([N@H+]2CCC[C@@H](CNC(=O)c3[nH]nc4ccccc43)C2)CC1 ZINC000012300905 558370576 /nfs/dbraw/zinc/37/05/76/558370576.db2.gz PLHAHICDENHDBM-INIZCTEOSA-N 1 1 413.522 2.626 50 0 HFAAMO CCOC(=O)N1CCC([N@@H+]2CCC[C@@H](CNC(=O)c3n[nH]c4ccccc43)C2)CC1 ZINC000012300905 558370578 /nfs/dbraw/zinc/37/05/78/558370578.db2.gz PLHAHICDENHDBM-INIZCTEOSA-N 1 1 413.522 2.626 50 0 HFAAMO CCOC(=O)N1CCC([N@H+]2CCC[C@@H](CNC(=O)c3n[nH]c4ccccc43)C2)CC1 ZINC000012300905 558370579 /nfs/dbraw/zinc/37/05/79/558370579.db2.gz PLHAHICDENHDBM-INIZCTEOSA-N 1 1 413.522 2.626 50 0 HFAAMO CC(C)Cc1cc(C[NH+]2CCC(n3nccc3NC(=O)[C@@H]3CCOC3)CC2)[nH]n1 ZINC000012302840 558372397 /nfs/dbraw/zinc/37/23/97/558372397.db2.gz PTBQHJJRRRGYBQ-MRXNPFEDSA-N 1 1 400.527 2.617 50 0 HFAAMO C[N@@H+](CCc1ccccn1)[C@@H]1CCCN(S(=O)(=O)c2cccc3cccnc32)C1 ZINC000012304032 558373372 /nfs/dbraw/zinc/37/33/72/558373372.db2.gz DDKMBSRDGDPANP-HXUWFJFHSA-N 1 1 410.543 2.957 50 0 HFAAMO Cc1nc2ncnn2c(C)c1CCC(=O)N[C@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000012431439 558405930 /nfs/dbraw/zinc/40/59/30/558405930.db2.gz DRQOPDXOTFTBLV-NRFANRHFSA-N 1 1 420.561 2.887 50 0 HFAAMO COCCc1ncc(C[NH+]2CCC(O)(Cc3cc(-c4ccccc4)no3)CC2)cn1 ZINC000012431902 558406556 /nfs/dbraw/zinc/40/65/56/558406556.db2.gz XGCJSZKRFCNBQI-UHFFFAOYSA-N 1 1 408.502 2.890 50 0 HFAAMO COCC[NH+]1CCC(CN(Cc2ccncc2)Cc2ccccc2OCCO)CC1 ZINC000012432898 558406950 /nfs/dbraw/zinc/40/69/50/558406950.db2.gz GJQJHPNNHIZMKB-UHFFFAOYSA-N 1 1 413.562 2.813 50 0 HFAAMO COCC[N@H+]1CCC[C@H](CNC(=O)c2cc(COc3c(C)cccc3C)on2)C1 ZINC000012457172 558417840 /nfs/dbraw/zinc/41/78/40/558417840.db2.gz AZNZAYCJYPGXGQ-GOSISDBHSA-N 1 1 401.507 2.959 50 0 HFAAMO CC(C)Cc1ccc(C[N@@H+]2CCc3nnc(CNC(=O)c4ccncc4)n3CC2)cc1 ZINC000020917613 558423102 /nfs/dbraw/zinc/42/31/02/558423102.db2.gz MZIIYQDGIHWUPQ-UHFFFAOYSA-N 1 1 418.545 2.860 50 0 HFAAMO COc1ccccc1CN1C[C@@H](C(=O)NCC[N@@H+](C)CCc2ccccc2)CCC1=O ZINC000012703139 558448447 /nfs/dbraw/zinc/44/84/47/558448447.db2.gz UMURCEOUBGGWFR-QFIPXVFZSA-N 1 1 423.557 2.725 50 0 HFAAMO CCN(C[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1)C(=O)C1=NN(C)C(=O)CC1 ZINC000012719088 558456487 /nfs/dbraw/zinc/45/64/87/558456487.db2.gz ZTWGTTUOYWAKRO-SFHVURJKSA-N 1 1 402.514 2.537 50 0 HFAAMO O=C1NC2(CCCCC2)C(=O)N1CN1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000022777591 558509566 /nfs/dbraw/zinc/50/95/66/558509566.db2.gz GFLWRQOVFXXLAC-UHFFFAOYSA-N 1 1 420.941 2.549 50 0 HFAAMO CC(=O)N1CCc2cc(NC(=O)CN3CCC[N@@H+](Cc4ccccc4)CC3)ccc21 ZINC000022912660 558520087 /nfs/dbraw/zinc/52/00/87/558520087.db2.gz BYMOWBDATSCAPB-UHFFFAOYSA-N 1 1 406.530 2.742 50 0 HFAAMO COc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(C)o3)N3CC[NH+](C)CC3)no2)cc1 ZINC000022938466 558527425 /nfs/dbraw/zinc/52/74/25/558527425.db2.gz UNSYCZGIHGJVAX-HXUWFJFHSA-N 1 1 424.501 2.970 50 0 HFAAMO CC(C)(C)OC(=O)N1CCC(C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000023193976 558541963 /nfs/dbraw/zinc/54/19/63/558541963.db2.gz VNGMCFNIEWZIGO-UHFFFAOYSA-N 1 1 416.566 2.572 50 0 HFAAMO Cc1cc(C)n(CC[N@@H+](C)Cc2c(C(=O)N3CCCCC3)nc3sccn23)n1 ZINC000023214912 558542857 /nfs/dbraw/zinc/54/28/57/558542857.db2.gz UWYTVGWSCUFSDK-UHFFFAOYSA-N 1 1 400.552 2.967 50 0 HFAAMO Cc1cc(C)n(CC[N@H+](C)Cc2c(C(=O)N3CCCCC3)nc3sccn23)n1 ZINC000023214912 558542860 /nfs/dbraw/zinc/54/28/60/558542860.db2.gz UWYTVGWSCUFSDK-UHFFFAOYSA-N 1 1 400.552 2.967 50 0 HFAAMO COc1ccc(-c2n[nH]cc2CN2CC[C@@H]([N@@H+](C)CCc3ccccn3)[C@H](O)C2)cc1 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C[C@@H]1C[C@@H](C)C[NH+](Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CCCc2ccccc2)C1 ZINC000004930574 559209603 /nfs/dbraw/zinc/20/96/03/559209603.db2.gz TWOOJURSWBWXSC-QZTJIDSGSA-N 1 1 423.561 2.544 50 0 HFAAMO CC[N@@H+](CCCNC(=O)COc1cc(=O)n(C)c2ccccc12)Cc1ccccc1 ZINC000005066455 559239946 /nfs/dbraw/zinc/23/99/46/559239946.db2.gz JTNPZXGLFKFNTB-UHFFFAOYSA-N 1 1 407.514 2.946 50 0 HFAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)c1sc2[nH]cnc(=O)c2c1C ZINC000409414731 559250189 /nfs/dbraw/zinc/25/01/89/559250189.db2.gz VTOAFDGYVUMYFC-JKSUJKDBSA-N 1 1 418.563 2.646 50 0 biogenic HFAAMO CCc1nn(CC(=O)NCCC[N@@H+]2[C@H](C)CCC[C@@H]2C)c(=O)c2cc3occc3n21 ZINC000005149449 559253280 /nfs/dbraw/zinc/25/32/80/559253280.db2.gz KWMBGJIEQOLUNV-IYBDPMFKSA-N 1 1 413.522 2.574 50 0 HFAAMO CN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]1[C@@H]1CCCC[N@H+]12 ZINC000252430762 559277131 /nfs/dbraw/zinc/27/71/31/559277131.db2.gz INAWKYYRGFLTDR-XHOYROJHSA-N 1 1 401.466 2.532 50 0 HFAAMO CC[C@@H]1C[N@@H+](CC(C)(C)O)[C@@H](CC)CN1C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000252533102 559278187 /nfs/dbraw/zinc/27/81/87/559278187.db2.gz FVMMINMOUJMXMZ-UONOGXRCSA-N 1 1 405.465 2.923 50 0 HFAAMO CC[N@H+]1CCc2nc(-c3ccccc3)n(CC(=O)Nc3ccccc3OC)c(=O)c2C1 ZINC000062007134 560566354 /nfs/dbraw/zinc/56/63/54/560566354.db2.gz REPHCGZNSNXNHS-UHFFFAOYSA-N 1 1 418.497 2.936 50 0 HFAAMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000101341847 560793118 /nfs/dbraw/zinc/79/31/18/560793118.db2.gz VGALMWHJMZRZSC-FLFXDLLNSA-N 1 1 419.456 2.874 50 0 HFAAMO CS(=O)(=O)Nc1ccc(/C=C\C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000104210160 560849942 /nfs/dbraw/zinc/84/99/42/560849942.db2.gz UYULHYOIAZNEKC-YXAHYSCSSA-N 1 1 413.543 2.852 50 0 HFAAMO CCN1CC[NH+](Cc2ccccc2CNC(=O)COc2ccc(F)cc2F)CC1 ZINC000046940863 560879598 /nfs/dbraw/zinc/87/95/98/560879598.db2.gz QDOWGBUZRCUTRU-UHFFFAOYSA-N 1 1 403.473 2.798 50 0 HFAAMO CCN(C(=O)c1cccc(S(N)(=O)=O)c1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000106152740 560884998 /nfs/dbraw/zinc/88/49/98/560884998.db2.gz MLXIEIZBMYYRPI-APWZRJJASA-N 1 1 401.532 2.632 50 0 HFAAMO COc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)OCO3)[NH+](C)C)cc1Cl ZINC000012196678 560891602 /nfs/dbraw/zinc/89/16/02/560891602.db2.gz CFVDRBJHJIWCKR-OAHLLOKOSA-N 1 1 412.895 2.659 50 0 HFAAMO O=S(=O)(c1ccc(OCC[N@H+]2CCC[C@@H]2c2ccsc2)cc1)N1CCOCC1 ZINC000048291101 568435382 /nfs/dbraw/zinc/43/53/82/568435382.db2.gz XNVYIVANNCTDGF-HXUWFJFHSA-N 1 1 422.572 2.985 50 0 HFAAMO CCOC(=O)CCN(C[C@H]1CCC[N@H+]1CC)S(=O)(=O)c1ccc(C)c(F)c1 ZINC000048309660 568436511 /nfs/dbraw/zinc/43/65/11/568436511.db2.gz PGSGVRHIAULANQ-MRXNPFEDSA-N 1 1 400.516 2.562 50 0 HFAAMO C[N@H+]1CCN(CCNC(=O)Nc2ccc(N3CCCC3)nc2)[C@H](c2ccccc2)C1 ZINC000048300936 568437486 /nfs/dbraw/zinc/43/74/86/568437486.db2.gz ASTLOVBXOWWULM-NRFANRHFSA-N 1 1 408.550 2.792 50 0 HFAAMO O=C(Nc1ccc(Cl)cn1)C1CC[NH+](Cc2cc(=O)n3ccsc3n2)CC1 ZINC000048302154 568437571 /nfs/dbraw/zinc/43/75/71/568437571.db2.gz OOGPLNIQJBJXRG-UHFFFAOYSA-N 1 1 403.895 2.655 50 0 HFAAMO Cc1ccc(NC(=O)Cn2cnc3c(c2=O)C[N@@H+](Cc2ccccc2)CC3)cc1F ZINC000049400720 568447596 /nfs/dbraw/zinc/44/75/96/568447596.db2.gz AFMSOQGLBZAXIS-UHFFFAOYSA-N 1 1 406.461 2.888 50 0 HFAAMO Cc1nc2c(c(=O)n1CC(=O)NCc1ccccc1F)C[N@@H+](Cc1ccccc1)CC2 ZINC000049400874 568447637 /nfs/dbraw/zinc/44/76/37/568447637.db2.gz UFGGFUSALNBNAG-UHFFFAOYSA-N 1 1 420.488 2.566 50 0 HFAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1nnc(C(=O)Nc2ccc(F)cc2)s1 ZINC000033060253 568510940 /nfs/dbraw/zinc/51/09/40/568510940.db2.gz WLMIWCGMVUBEQX-ZDUSSCGKSA-N 1 1 405.499 2.924 50 0 HFAAMO CC(=O)Nc1sc2c(c1[C@@H](c1ccccn1)N1CC[NH+](CCO)CC1)CCCC2 ZINC000020192219 568593458 /nfs/dbraw/zinc/59/34/58/568593458.db2.gz YDEHBKJUAOJLBQ-OAQYLSRUSA-N 1 1 414.575 2.680 50 0 HFAAMO C[N@@H+](CCCNC(=O)CCn1c(=O)c2cccn2c2cccnc21)Cc1ccccc1 ZINC000020512686 568621951 /nfs/dbraw/zinc/62/19/51/568621951.db2.gz YYTLAEGKERBULB-UHFFFAOYSA-N 1 1 417.513 2.678 50 0 HFAAMO O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000095946907 568664712 /nfs/dbraw/zinc/66/47/12/568664712.db2.gz VZNDQIRDQSINJJ-OALUTQOASA-N 1 1 417.937 2.550 50 0 HFAAMO O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000095946907 568664713 /nfs/dbraw/zinc/66/47/13/568664713.db2.gz VZNDQIRDQSINJJ-OALUTQOASA-N 1 1 417.937 2.550 50 0 HFAAMO COc1cccc(NC(=O)CC[N@H+](C)[C@@H](C(N)=O)c2cccc(Br)c2)c1 ZINC000095983639 568675888 /nfs/dbraw/zinc/67/58/88/568675888.db2.gz HCWXICFVDHSFIL-GOSISDBHSA-N 1 1 420.307 2.945 50 0 HFAAMO COc1cccc(NC(=O)CC[N@@H+](C)[C@@H](C(N)=O)c2cccc(Br)c2)c1 ZINC000095983639 568675891 /nfs/dbraw/zinc/67/58/91/568675891.db2.gz HCWXICFVDHSFIL-GOSISDBHSA-N 1 1 420.307 2.945 50 0 HFAAMO O=C1C[C@@H](c2nc3ccccc3n2CC[NH+]2CCOCC2)CN1Cc1cccs1 ZINC000021172123 568676352 /nfs/dbraw/zinc/67/63/52/568676352.db2.gz IXBLRNVSZGOEIJ-QGZVFWFLSA-N 1 1 410.543 2.946 50 0 HFAAMO Cc1ccc(C[N@@H+]2CCCN(S(=O)(=O)c3cccc4nsnc43)CC2)cc1 ZINC000019078568 568751481 /nfs/dbraw/zinc/75/14/81/568751481.db2.gz KXXOPJKFWVGAAO-UHFFFAOYSA-N 1 1 402.545 2.896 50 0 HFAAMO Cc1ccc(C[N@H+]2CCCN(S(=O)(=O)c3cccc4nsnc43)CC2)cc1 ZINC000019078568 568751483 /nfs/dbraw/zinc/75/14/83/568751483.db2.gz KXXOPJKFWVGAAO-UHFFFAOYSA-N 1 1 402.545 2.896 50 0 HFAAMO C[C@H](Nc1cccc(N2CCCC2=O)c1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000052774771 568835893 /nfs/dbraw/zinc/83/58/93/568835893.db2.gz MEFUTAFETXBZAV-IBGZPJMESA-N 1 1 406.530 2.958 50 0 HFAAMO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000012562759 568858837 /nfs/dbraw/zinc/85/88/37/568858837.db2.gz ZOPZNBBJXXJODP-PZJWPPBQSA-N 1 1 413.543 2.693 50 0 HFAAMO NC(=O)c1csc(S(=O)(=O)NCC[C@H]2CCCC[N@H+]2Cc2ccccc2)c1 ZINC000670440181 568892037 /nfs/dbraw/zinc/89/20/37/568892037.db2.gz FXDSSDBKYLDRAR-QGZVFWFLSA-N 1 1 407.561 2.570 50 0 HFAAMO NC(=O)c1csc(S(=O)(=O)NCC[C@@H]2CCCC[N@H+]2Cc2ccccc2)c1 ZINC000670440180 568892096 /nfs/dbraw/zinc/89/20/96/568892096.db2.gz FXDSSDBKYLDRAR-KRWDZBQOSA-N 1 1 407.561 2.570 50 0 HFAAMO O=C(CCCC(=O)c1ccccc1)N[C@@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3 ZINC000670450028 568925684 /nfs/dbraw/zinc/92/56/84/568925684.db2.gz FRCCDQPHFBUPTO-DKEBNAFJSA-N 1 1 417.553 2.723 50 0 HFAAMO O=C(CCCC(=O)c1ccccc1)N[C@@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000670450028 568925686 /nfs/dbraw/zinc/92/56/86/568925686.db2.gz FRCCDQPHFBUPTO-DKEBNAFJSA-N 1 1 417.553 2.723 50 0 HFAAMO O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000031808102 568931698 /nfs/dbraw/zinc/93/16/98/568931698.db2.gz AOESKLUPLRWUTH-FQEVSTJZSA-N 1 1 406.486 2.511 50 0 HFAAMO CN(C)S(=O)(=O)c1ccc(NC(=O)C[N@@H+](C)[C@@H]2CCCc3ccccc32)cc1 ZINC000007988365 568965773 /nfs/dbraw/zinc/96/57/73/568965773.db2.gz LRIQPEJXNKRBAN-HXUWFJFHSA-N 1 1 401.532 2.885 50 0 HFAAMO COc1cccc(CN(C)[C@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1OC ZINC000008428792 569002464 /nfs/dbraw/zinc/00/24/64/569002464.db2.gz DLORVMGSOIXCIA-LJQANCHMSA-N 1 1 411.546 2.869 50 0 HFAAMO COc1cccc(C[N@@H+]2CCN(Cc3cccn3-c3ccccn3)C[C@H]2CCO)c1 ZINC000104414992 569008756 /nfs/dbraw/zinc/00/87/56/569008756.db2.gz BTEPSUPNWBXNCC-OAQYLSRUSA-N 1 1 406.530 2.950 50 0 HFAAMO COc1cccc(C[N@H+]2CCN(Cc3cccn3-c3ccccn3)C[C@H]2CCO)c1 ZINC000104414992 569008757 /nfs/dbraw/zinc/00/87/57/569008757.db2.gz BTEPSUPNWBXNCC-OAQYLSRUSA-N 1 1 406.530 2.950 50 0 HFAAMO Cc1ccc(NC(=O)[C@H](C)N(C)CC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000012917004 569022446 /nfs/dbraw/zinc/02/24/46/569022446.db2.gz PQYPZRPYUALYNF-FQEVSTJZSA-N 1 1 408.546 2.598 50 0 HFAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)CCCn2c3ccccc3c3cnn(C)c(=O)c32)C1 ZINC000035372394 569033889 /nfs/dbraw/zinc/03/38/89/569033889.db2.gz SNUXTQLWFYFBJB-GOSISDBHSA-N 1 1 423.561 2.907 50 0 HFAAMO C[N@H+]1CCN(CCNC(=O)Nc2ccc(N3CCCC3)nc2)[C@@H](c2ccccc2)C1 ZINC000229750356 569040578 /nfs/dbraw/zinc/04/05/78/569040578.db2.gz ASTLOVBXOWWULM-OAQYLSRUSA-N 1 1 408.550 2.792 50 0 HFAAMO COc1ccc(NC(=O)NCCNc2cc(-n3cc[nH+]c3C)ncn2)cc1Cl ZINC000035598127 569045859 /nfs/dbraw/zinc/04/58/59/569045859.db2.gz GLOFSXFOOBANKE-UHFFFAOYSA-N 1 1 401.858 2.866 50 0 HFAAMO COC(=O)c1ccc(CN(C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000013018956 569051039 /nfs/dbraw/zinc/05/10/39/569051039.db2.gz YKMVSEVVAMHHCS-UHFFFAOYSA-N 1 1 411.502 2.647 50 0 HFAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 ZINC000241587942 569054739 /nfs/dbraw/zinc/05/47/39/569054739.db2.gz OYHFMODSIJTTHP-GMQQQROESA-N 1 1 423.557 2.732 50 0 HFAAMO Cc1cccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@@H+]4[C@@]4(C(=O)Nc5ccc(F)cc54)[C@H]3C2=O)c1C ZINC000248174244 569057695 /nfs/dbraw/zinc/05/76/95/569057695.db2.gz YGYZTFOHAYDOBI-UECWXEIQSA-N 1 1 419.456 2.874 50 0 HFAAMO Cc1cccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@H+]4[C@@]4(C(=O)Nc5ccc(F)cc54)[C@H]3C2=O)c1C ZINC000248174244 569057696 /nfs/dbraw/zinc/05/76/96/569057696.db2.gz YGYZTFOHAYDOBI-UECWXEIQSA-N 1 1 419.456 2.874 50 0 HFAAMO Cc1cc(C(=O)N(CCC(=O)NCCC[NH+]2CCOCC2)CCC(C)C)c(C)o1 ZINC000035818140 569061515 /nfs/dbraw/zinc/06/15/15/569061515.db2.gz MCHHEMHONORBDI-UHFFFAOYSA-N 1 1 407.555 2.613 50 0 HFAAMO COCC[N@H+](Cc1ccc(OC)c(OC)c1)C[C@H](O)COc1ccc(OC)cc1 ZINC000036095696 569089807 /nfs/dbraw/zinc/08/98/07/569089807.db2.gz DLHXQSMJOAKFOS-SFHVURJKSA-N 1 1 405.491 2.601 50 0 HFAAMO C[C@@H]1Sc2ccc(S(=O)(=O)N3CC[NH+](C4CCCCC4)CC3)cc2NC1=O ZINC000036139328 569097717 /nfs/dbraw/zinc/09/77/17/569097717.db2.gz MTQJMUCGJWYBEF-AWEZNQCLSA-N 1 1 409.577 2.758 50 0 HFAAMO C[C@@H](C(=O)NCC[N@@H+](C)Cc1ccccc1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064839589 569105244 /nfs/dbraw/zinc/10/52/44/569105244.db2.gz VGHSNBSYLTUHAB-KRWDZBQOSA-N 1 1 417.513 2.697 50 0 HFAAMO COCC(=O)N(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)C(C)C ZINC000036312133 569132637 /nfs/dbraw/zinc/13/26/37/569132637.db2.gz SBUOQLVTFLRZOV-UHFFFAOYSA-N 1 1 404.486 2.616 50 0 HFAAMO CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000036391211 569166319 /nfs/dbraw/zinc/16/63/19/569166319.db2.gz FETOAJUYUDCXHW-YADHBBJMSA-N 1 1 408.546 2.901 50 0 HFAAMO CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000036391213 569166329 /nfs/dbraw/zinc/16/63/29/569166329.db2.gz FETOAJUYUDCXHW-VXKWHMMOSA-N 1 1 408.546 2.901 50 0 HFAAMO CCC[NH+]1CCN(C(=O)c2nc3csc(C)c3c(N3CCSCC3)n2)CC1 ZINC000065283352 569216555 /nfs/dbraw/zinc/21/65/55/569216555.db2.gz TYHQNLZKHCOZIH-UHFFFAOYSA-N 1 1 405.593 2.721 50 0 HFAAMO CCOC(=O)C(=O)N[C@H](C)[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000036657849 569216828 /nfs/dbraw/zinc/21/68/28/569216828.db2.gz OKBAOIBYMZERLM-APWZRJJASA-N 1 1 401.532 2.679 50 0 HFAAMO CC[C@@]1([NH+]2CCN(C(=O)Nc3cc(Cl)ccc3OC)CC2)CCN(C(=O)NC)C1 ZINC000065292070 569217903 /nfs/dbraw/zinc/21/79/03/569217903.db2.gz HXVXFTYTQBENJR-HXUWFJFHSA-N 1 1 423.945 2.692 50 0 HFAAMO C[C@H](C(=O)N1CC(=O)Nc2ccccc21)[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000252444032 569285813 /nfs/dbraw/zinc/28/58/13/569285813.db2.gz UDLSAKADJPPKSM-QAPCUYQASA-N 1 1 407.470 2.969 50 0 HFAAMO C[C@H](C(=O)N1CC(=O)Nc2ccccc21)[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000252444032 569285815 /nfs/dbraw/zinc/28/58/15/569285815.db2.gz UDLSAKADJPPKSM-QAPCUYQASA-N 1 1 407.470 2.969 50 0 HFAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 ZINC000007960789 569420358 /nfs/dbraw/zinc/42/03/58/569420358.db2.gz UVDYXXVBHUZLOU-LJQANCHMSA-N 1 1 401.532 2.726 50 0 HFAAMO C[C@@H](CNC(=O)C(C)(C)NC(=O)Nc1ccccc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000078902907 569421600 /nfs/dbraw/zinc/42/16/00/569421600.db2.gz PQWGRFNISKFRDS-IBGZPJMESA-N 1 1 423.561 2.914 50 0 HFAAMO CCCN1CC[NH+]([C@H](C)CCCN(C(=O)CNC(=O)CCC(C)C)C2CC2)CC1 ZINC000078950831 569422102 /nfs/dbraw/zinc/42/21/02/569422102.db2.gz BWAZSNJYRTZHAD-HXUWFJFHSA-N 1 1 408.631 2.726 50 0 HFAAMO CN(C(=O)c1ccc(NS(=O)(=O)CCc2ccccc2)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000079001541 569423461 /nfs/dbraw/zinc/42/34/61/569423461.db2.gz VQEGKMVDWHSJCL-NRFANRHFSA-N 1 1 415.559 2.837 50 0 HFAAMO Cc1nc2ncnn2c(C)c1CCC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000039969268 571135184 /nfs/dbraw/zinc/13/51/84/571135184.db2.gz WYJJBHSZIXFAQW-GOSISDBHSA-N 1 1 400.914 2.746 50 0 HFAAMO CCc1ccc([C@@H]([NH2+]CC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c2cccs2)cc1 ZINC000039990633 571136587 /nfs/dbraw/zinc/13/65/87/571136587.db2.gz XMMQJULDTHWQQE-YLJYHZDGSA-N 1 1 406.573 2.635 50 0 HFAAMO O=C(C[NH+]1CCC(C(=O)Nc2ccccn2)CC1)NCCc1c[nH]c2ccccc12 ZINC000040149522 571196944 /nfs/dbraw/zinc/19/69/44/571196944.db2.gz PMBMASUYNWZLCO-UHFFFAOYSA-N 1 1 405.502 2.572 50 0 HFAAMO O=C(CC[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1)N1CCN(c2ccccn2)CC1 ZINC000040154738 571202053 /nfs/dbraw/zinc/20/20/53/571202053.db2.gz QRNXCNKHGILEFE-HXUWFJFHSA-N 1 1 414.937 2.847 50 0 HFAAMO O=C(CC[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1)N1CCN(c2ccccn2)CC1 ZINC000040154738 571202057 /nfs/dbraw/zinc/20/20/57/571202057.db2.gz QRNXCNKHGILEFE-HXUWFJFHSA-N 1 1 414.937 2.847 50 0 HFAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CCCN(c2nnc(-n3cccc3)s2)C1 ZINC000245276308 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Cc1nn2c(ncc3c2ccn(CCC[NH+]2CCOCC2)c3=O)c1-c1ccc(F)cc1 ZINC000040397050 526313366 /nfs/dbraw/zinc/31/33/66/526313366.db2.gz AUFZANMGFRRSJT-UHFFFAOYSA-N 1 1 421.476 2.881 50 0 HFAAMO O=C(CCc1cnn(-c2ccccc2)c1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000029717122 526641094 /nfs/dbraw/zinc/64/10/94/526641094.db2.gz YWPUDODTQJJFOE-UHFFFAOYSA-N 1 1 404.514 2.954 50 0 HFAAMO O=C(CN1CSCC1=O)N1CC[NH+](Cc2ccc(-c3ccccc3)s2)CC1 ZINC000031941598 526816066 /nfs/dbraw/zinc/81/60/66/526816066.db2.gz OTQNHVDCDFNPNL-UHFFFAOYSA-N 1 1 401.557 2.592 50 0 HFAAMO O=C1c2ccccc2N[C@@H](c2ccc(-n3cncn3)cc2)N1CCC[NH+]1CCOCC1 ZINC000032769271 527133007 /nfs/dbraw/zinc/13/30/07/527133007.db2.gz JYYTUVUXXCKRHZ-JOCHJYFZSA-N 1 1 418.501 2.556 50 0 HFAAMO Cc1nc2ncnn2c(C)c1CCC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000032863824 527203223 /nfs/dbraw/zinc/20/32/23/527203223.db2.gz OETGTEMXIDAHGD-UHFFFAOYSA-N 1 1 410.497 2.547 50 0 HFAAMO Cc1nc2ncnn2c(C)c1CCC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000032863824 527203229 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423.557 2.650 50 0 HFAAMO CCOC(=O)N1CCN([C@@H]2CCC[N@H+](Cc3cc(Cl)c(O)c(OC)c3)C2)CC1 ZINC000022919541 558263058 /nfs/dbraw/zinc/26/30/58/558263058.db2.gz MFGHAQDLWNTXHX-MRXNPFEDSA-N 1 1 411.930 2.793 50 0 HFAAMO CCOC(=O)N1CCN([C@@H]2CCC[N@@H+](Cc3cc(Cl)c(O)c(OC)c3)C2)CC1 ZINC000022919541 558263061 /nfs/dbraw/zinc/26/30/61/558263061.db2.gz MFGHAQDLWNTXHX-MRXNPFEDSA-N 1 1 411.930 2.793 50 0 HFAAMO CCCc1ccc(OC[C@H](O)C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000019809746 558286501 /nfs/dbraw/zinc/28/65/01/558286501.db2.gz ACAGNVFGOXBGLD-OAQYLSRUSA-N 1 1 412.530 2.925 50 0 HFAAMO CSc1ccc(CC(=O)N2CCC[C@H](CCC(=O)N3CC[NH+](C)CC3)C2)cc1 ZINC000019838195 558293384 /nfs/dbraw/zinc/29/33/84/558293384.db2.gz LPBQEMMYNJYALP-LJQANCHMSA-N 1 1 403.592 2.744 50 0 HFAAMO COC(=O)C1CCN(C[C@H](O)COc2cccc(C[NH2+]Cc3ccccc3)c2)CC1 ZINC000011879366 558293861 /nfs/dbraw/zinc/29/38/61/558293861.db2.gz VNSOZHZYBIMMQN-QFIPXVFZSA-N 1 1 412.530 2.601 50 0 HFAAMO 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HWRFIGLXOUSNLO-ROUUACIJSA-N 1 1 414.449 2.571 50 0 HFAAMO C[C@@H](NC(=O)COc1ccccc1)c1nnc2n1CC[N@H+](Cc1cccs1)CC2 ZINC000012213469 558354310 /nfs/dbraw/zinc/35/43/10/558354310.db2.gz KZFFMHZOOIZVMS-MRXNPFEDSA-N 1 1 411.531 2.654 50 0 HFAAMO CC(C)=CCC[C@H](C)C[N@@H+]1CCc2nnc(CCNC(=O)c3cccnc3)n2CC1 ZINC000012245617 558361440 /nfs/dbraw/zinc/36/14/40/558361440.db2.gz UDOUZIZIPVYVDW-IBGZPJMESA-N 1 1 410.566 2.886 50 0 HFAAMO COc1ccc(C[N@@H+]2CCN(Cc3cnc(SC)nc3)C[C@@H]2CCO)cc1C ZINC000020451608 558366040 /nfs/dbraw/zinc/36/60/40/558366040.db2.gz VCPJLXVWXYVIRZ-IBGZPJMESA-N 1 1 402.564 2.584 50 0 HFAAMO COc1ccc(C[N@H+]2CCN(Cc3cnc(SC)nc3)C[C@@H]2CCO)cc1C ZINC000020451608 558366043 /nfs/dbraw/zinc/36/60/43/558366043.db2.gz VCPJLXVWXYVIRZ-IBGZPJMESA-N 1 1 402.564 2.584 50 0 HFAAMO CCN(C[C@@H]1CCC[N@@H+](CCc2cccc(F)c2)C1)C(=O)CCN1CCCC1=O ZINC000012304097 558373422 /nfs/dbraw/zinc/37/34/22/558373422.db2.gz DNEXSHTYGNPOBR-HXUWFJFHSA-N 1 1 403.542 2.941 50 0 HFAAMO CC[N@H+]1CC[C@]2(CCN(C(=O)c3cc(Cn4cnc5cc(C)c(C)cc54)n[nH]3)C2)C1 ZINC000012315693 558379114 /nfs/dbraw/zinc/37/91/14/558379114.db2.gz WFCULNPDRLJCIF-QHCPKHFHSA-N 1 1 406.534 2.982 50 0 HFAAMO O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020723981 558404080 /nfs/dbraw/zinc/40/40/80/558404080.db2.gz AWBVJKCPBBCSOW-UHFFFAOYSA-N 1 1 422.916 2.908 50 0 HFAAMO Cc1ccccc1OCC[N@H+](C)Cc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000021320762 558435690 /nfs/dbraw/zinc/43/56/90/558435690.db2.gz WBPWNZFHPHTNPF-UHFFFAOYSA-N 1 1 404.532 2.527 50 0 HFAAMO COc1ccc(NC(C)=O)cc1N[C@H](C)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022508933 558492524 /nfs/dbraw/zinc/49/25/24/558492524.db2.gz RRMZTZJVFHDJJU-QGZVFWFLSA-N 1 1 410.518 2.798 50 0 HFAAMO C[C@H]1Sc2ccc(C(=O)NCC3([NH+]4CCOCC4)CCCCC3)cc2NC1=O ZINC000022754298 558507924 /nfs/dbraw/zinc/50/79/24/558507924.db2.gz XCPCRQQTLXIWNN-OAHLLOKOSA-N 1 1 403.548 2.884 50 0 HFAAMO CCn1ncc(CN2CC[N@@H+](Cc3ccc(OC)c(C)c3C)[C@@H](CCO)C2)c1C ZINC000022932753 558525055 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CC[NH+]1CCN([C@H](c2cccs2)[C@H](C)NC(=O)c2ccc3c(c2)OCO3)CC1 ZINC000020288096 568597642 /nfs/dbraw/zinc/59/76/42/568597642.db2.gz XVUWCRFDRLHWEL-YWZLYKJASA-N 1 1 401.532 2.974 50 0 HFAAMO COCCS(=O)(=O)CCC[N@@H+]1CCCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000095452689 568615388 /nfs/dbraw/zinc/61/53/88/568615388.db2.gz PNSHYQCMUNFFLO-UHFFFAOYSA-N 1 1 409.379 2.957 50 0 HFAAMO COCCS(=O)(=O)CCC[N@H+]1CCCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000095452689 568615389 /nfs/dbraw/zinc/61/53/89/568615389.db2.gz PNSHYQCMUNFFLO-UHFFFAOYSA-N 1 1 409.379 2.957 50 0 HFAAMO CCOC(=O)c1sc(NC(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)c(C(=O)OCC)c1C ZINC000095454000 568616143 /nfs/dbraw/zinc/61/61/43/568616143.db2.gz FYYXKKLOKNZOFL-RYUDHWBXSA-N 1 1 411.524 2.966 50 0 HFAAMO CN1CC[N@@H+](C)Cc2ccc(NC(=O)C[C@@H]3CN(Cc4ccccc4)CCO3)cc21 ZINC000095464822 568622699 /nfs/dbraw/zinc/62/26/99/568622699.db2.gz CLCVKFZGVHPEOX-JOCHJYFZSA-N 1 1 408.546 2.798 50 0 HFAAMO Cc1ncc(CN2CC[NH+](C)CC2)c2cc(C(=O)c3ccc4c(c3)OCCO4)oc21 ZINC000095476081 568630298 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COc1ccc([C@H](CC(=O)N2CC[NH+](C)CC2)N2Cc3ccccc3C2=O)cc1OC ZINC000021530529 568710922 /nfs/dbraw/zinc/71/09/22/568710922.db2.gz ZLIDNIOGBKCYRA-FQEVSTJZSA-N 1 1 423.513 2.565 50 0 HFAAMO CCc1noc2ncc(S(=O)(=O)N3CC[NH2+]C[C@@H]3c3ccc(CC)cc3)cc12 ZINC000241316897 568730953 /nfs/dbraw/zinc/73/09/53/568730953.db2.gz LVWBKUCBKWPCDE-LJQANCHMSA-N 1 1 400.504 2.683 50 0 HFAAMO CC1(C)OC(=O)C2(Cc3ccccc3N3CC[N@H+](Cc4ccccc4)C[C@@H]32)C(=O)O1 ZINC000025183006 568759664 /nfs/dbraw/zinc/75/96/64/568759664.db2.gz HKCGEAZXLBYXFW-HXUWFJFHSA-N 1 1 406.482 2.756 50 0 HFAAMO CC1(C)OC(=O)C2(Cc3ccccc3N3CC[N@@H+](Cc4ccccc4)C[C@@H]32)C(=O)O1 ZINC000025183006 568759666 /nfs/dbraw/zinc/75/96/66/568759666.db2.gz HKCGEAZXLBYXFW-HXUWFJFHSA-N 1 1 406.482 2.756 50 0 HFAAMO O=C(NC[C@H]1CCCN(Cc2cnc(-c3ccc(Cl)cc3)nc2)C1)[C@@H]1CCC[NH2+]1 ZINC000097021067 568766444 /nfs/dbraw/zinc/76/64/44/568766444.db2.gz RPDGSOZTXCSYJL-UZLBHIALSA-N 1 1 413.953 2.877 50 0 HFAAMO Cc1nc(C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)nn1-c1ccc(Cl)cc1 ZINC000025407994 568768577 /nfs/dbraw/zinc/76/85/77/568768577.db2.gz CJUJCEVZQIUCQI-OKILXGFUSA-N 1 1 405.930 2.847 50 0 HFAAMO Cc1nc(C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nn1-c1ccc(Cl)cc1 ZINC000025407994 568768579 /nfs/dbraw/zinc/76/85/79/568768579.db2.gz CJUJCEVZQIUCQI-OKILXGFUSA-N 1 1 405.930 2.847 50 0 HFAAMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3cccnc3N3CCOCC3)cc2)C[C@H](C)O1 ZINC000056164469 568790322 /nfs/dbraw/zinc/79/03/22/568790322.db2.gz CBIUBENENVUSRW-HDICACEKSA-N 1 1 410.518 2.780 50 0 HFAAMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3cccnc3N3CCOCC3)cc2)C[C@H](C)O1 ZINC000056164469 568790326 /nfs/dbraw/zinc/79/03/26/568790326.db2.gz CBIUBENENVUSRW-HDICACEKSA-N 1 1 410.518 2.780 50 0 HFAAMO Cc1nc(-c2cccc(NC(=O)C3CC[NH+]([C@H]4CCS(=O)(=O)C4)CC3)c2)cs1 ZINC000057347593 568827301 /nfs/dbraw/zinc/82/73/01/568827301.db2.gz CJQBRUMVHAJIPB-SFHVURJKSA-N 1 1 419.572 2.956 50 0 HFAAMO COc1ccc2c(c1)N1CC[N@H+](Cc3ccc(F)cc3)C[C@H]1[C@@H](C(=O)NC1CC1)C2 ZINC000230128996 568849584 /nfs/dbraw/zinc/84/95/84/568849584.db2.gz PYTYLAWISNEDST-GMAHTHKFSA-N 1 1 409.505 2.976 50 0 HFAAMO CC[C@H]1C[N@@H+](CC(C)(C)O)[C@@H](CC)CN1C(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000230288687 568857673 /nfs/dbraw/zinc/85/76/73/568857673.db2.gz NLYBRWCUVSFPIP-GJZGRUSLSA-N 1 1 410.946 2.917 50 0 HFAAMO O=C(NC[C@H]([C@@H]1CCOC1)[NH+]1CCOCC1)Nc1ccccc1N1CCCCCC1 ZINC000057914600 568867759 /nfs/dbraw/zinc/86/77/59/568867759.db2.gz UDKKHCUXBMLPTI-DENIHFKCSA-N 1 1 416.566 2.926 50 0 HFAAMO C[C@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000057943317 568869630 /nfs/dbraw/zinc/86/96/30/568869630.db2.gz OEYGXSRVOBOFAJ-IBGZPJMESA-N 1 1 406.530 2.958 50 0 HFAAMO COc1cc(=O)n2c(c1C(=O)N1CCCC1)CC[N@@H+](Cc1cc3ccccc3o1)CC2 ZINC000299756928 568872903 /nfs/dbraw/zinc/87/29/03/568872903.db2.gz KDMCHWAXJLVVNI-UHFFFAOYSA-N 1 1 421.497 2.897 50 0 HFAAMO COc1cc(=O)n2c(c1C(=O)N1CCCC1)CC[N@H+](Cc1cc3ccccc3o1)CC2 ZINC000299756928 568872906 /nfs/dbraw/zinc/87/29/06/568872906.db2.gz KDMCHWAXJLVVNI-UHFFFAOYSA-N 1 1 421.497 2.897 50 0 HFAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000263585275 568878453 /nfs/dbraw/zinc/87/84/53/568878453.db2.gz GYPZCSZYZUCJAX-TUNNFDKTSA-N 1 1 413.562 2.779 50 0 biogenic HFAAMO C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC000012743694 568930193 /nfs/dbraw/zinc/93/01/93/568930193.db2.gz WOKKGUXPCBEUTP-CYBMUJFWSA-N 1 1 414.333 2.891 50 0 HFAAMO Cc1cccc(NC(=O)CN(C)[C@@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000012805308 568979772 /nfs/dbraw/zinc/97/97/72/568979772.db2.gz ULOLFPMJTBKKCW-NRFANRHFSA-N 1 1 422.573 2.907 50 0 HFAAMO COCCN(C[C@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)COc1ccc2c(c1)OCO2 ZINC000583652889 569009357 /nfs/dbraw/zinc/00/93/57/569009357.db2.gz LWAVVWPOTCJCEN-MJGOQNOKSA-N 1 1 404.507 2.534 50 0 biogenic HFAAMO CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000245242137 569055293 /nfs/dbraw/zinc/05/52/93/569055293.db2.gz BUPCYOAOQQHOCU-AZXNSQLWSA-N 1 1 401.466 2.680 50 0 HFAAMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000245312510 569055775 /nfs/dbraw/zinc/05/57/75/569055775.db2.gz VGALMWHJMZRZSC-GSRZOBFVSA-N 1 1 419.456 2.874 50 0 HFAAMO O[C@H](COCc1ccccc1)C[N@@H+](CCN1CCOCC1)Cc1ccc(F)cc1 ZINC000036102444 569091919 /nfs/dbraw/zinc/09/19/19/569091919.db2.gz QKILSBUAJUJTBE-QHCPKHFHSA-N 1 1 402.510 2.538 50 0 HFAAMO CCC(=O)N1c2ccc(S(=O)(=O)NCC[N@H+](C)Cc3ccccc3)cc2C[C@@H]1C ZINC000006730317 569102928 /nfs/dbraw/zinc/10/29/28/569102928.db2.gz RFWNPUAAGUNBJG-KRWDZBQOSA-N 1 1 415.559 2.785 50 0 HFAAMO CCC(=O)N1c2ccc(S(=O)(=O)NCC[N@@H+](C)Cc3ccccc3)cc2C[C@@H]1C ZINC000006730317 569102930 /nfs/dbraw/zinc/10/29/30/569102930.db2.gz RFWNPUAAGUNBJG-KRWDZBQOSA-N 1 1 415.559 2.785 50 0 HFAAMO COc1ccc2c(c1)N1CC[N@H+](Cc3ccc(F)cc3)C[C@@H]1[C@@H](C(=O)NC1CC1)C2 ZINC000169678712 569126223 /nfs/dbraw/zinc/12/62/23/569126223.db2.gz PYTYLAWISNEDST-JTHBVZDNSA-N 1 1 409.505 2.976 50 0 HFAAMO CN(C)c1ccc(C(=O)OCC[N@@H+]2CCCN(C(=O)OC(C)(C)C)CC2)c(F)c1 ZINC000170609409 569245098 /nfs/dbraw/zinc/24/50/98/569245098.db2.gz FNUNOCZZXRWKKM-UHFFFAOYSA-N 1 1 409.502 2.991 50 0 HFAAMO CN(C)c1ccc(C(=O)OCC[N@H+]2CCCN(C(=O)OC(C)(C)C)CC2)c(F)c1 ZINC000170609409 569245099 /nfs/dbraw/zinc/24/50/99/569245099.db2.gz FNUNOCZZXRWKKM-UHFFFAOYSA-N 1 1 409.502 2.991 50 0 HFAAMO CC[C@@H]1C[N@@H+](CC(C)(C)O)[C@H](CC)CN1C(=O)Nc1ccc(-n2nccn2)cc1 ZINC000170619526 569248293 /nfs/dbraw/zinc/24/82/93/569248293.db2.gz PJCJLBWSTCSOOH-QZTJIDSGSA-N 1 1 400.527 2.745 50 0 HFAAMO O=C(NCCCC[N@@H+]1CCO[C@H](c2ccccc2)C1)C(=O)NC1CCCCCC1 ZINC000017178429 569276376 /nfs/dbraw/zinc/27/63/76/569276376.db2.gz OKJDXYZKQKOUON-NRFANRHFSA-N 1 1 401.551 2.795 50 0 HFAAMO O=C(NCCCC[N@H+]1CCO[C@H](c2ccccc2)C1)C(=O)NC1CCCCCC1 ZINC000017178429 569276377 /nfs/dbraw/zinc/27/63/77/569276377.db2.gz OKJDXYZKQKOUON-NRFANRHFSA-N 1 1 401.551 2.795 50 0 HFAAMO C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000252444033 569285851 /nfs/dbraw/zinc/28/58/51/569285851.db2.gz UDLSAKADJPPKSM-YJBOKZPZSA-N 1 1 407.470 2.969 50 0 HFAAMO C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000252444033 569285852 /nfs/dbraw/zinc/28/58/52/569285852.db2.gz UDLSAKADJPPKSM-YJBOKZPZSA-N 1 1 407.470 2.969 50 0 HFAAMO COc1c2c(cc3c1[C@@H](C[C@@](C)(NC=O)C(=O)CC1CCCC1)[N@H+](C)CC3)OCO2 ZINC000002131042 569287273 /nfs/dbraw/zinc/28/72/73/569287273.db2.gz FPAPHBQBVPMACY-UZUQRXQVSA-N 1 1 416.518 2.997 50 0 biogenic HFAAMO COc1c2c(cc3c1[C@@H](C[C@@](C)(NC=O)C(=O)CC1CCCC1)[N@@H+](C)CC3)OCO2 ZINC000002131042 569287274 /nfs/dbraw/zinc/28/72/74/569287274.db2.gz FPAPHBQBVPMACY-UZUQRXQVSA-N 1 1 416.518 2.997 50 0 biogenic HFAAMO CC[N@H+]1CCC[C@H]1CNC(=O)CC[C@H]1NC(=O)N(c2cccc3ccccc32)C1=O ZINC000252498839 569291034 /nfs/dbraw/zinc/29/10/34/569291034.db2.gz RNEWONJCLMSXPD-PKOBYXMFSA-N 1 1 408.502 2.850 50 0 HFAAMO COc1ccc(C[N@@H+](Cc2cccc(S(=O)(=O)N3CCOCC3)c2)C2CC2)cc1 ZINC000007662182 569299686 /nfs/dbraw/zinc/29/96/86/569299686.db2.gz ZEURRLONLOAKSI-UHFFFAOYSA-N 1 1 416.543 2.881 50 0 HFAAMO COc1ccc([C@@H](CNC(=O)C[N@@H+]2CCC[C@@H](O)C2)c2c[nH]c3ccccc32)cc1 ZINC000195494739 569311450 /nfs/dbraw/zinc/31/14/50/569311450.db2.gz SQLHTDDHMVXOGF-WIYYLYMNSA-N 1 1 407.514 2.881 50 0 HFAAMO COc1ccc([C@@H](CNC(=O)C[N@H+]2CCC[C@@H](O)C2)c2c[nH]c3ccccc32)cc1 ZINC000195494739 569311451 /nfs/dbraw/zinc/31/14/51/569311451.db2.gz SQLHTDDHMVXOGF-WIYYLYMNSA-N 1 1 407.514 2.881 50 0 HFAAMO Cc1ccc(-n2nnnc2SCC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C ZINC000007857485 569314779 /nfs/dbraw/zinc/31/47/79/569314779.db2.gz POFXKVSCKXKWHW-IBGZPJMESA-N 1 1 422.558 2.762 50 0 HFAAMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 ZINC000252675342 569319487 /nfs/dbraw/zinc/31/94/87/569319487.db2.gz TUPMVPLMHFKAQP-FPOVZHCZSA-N 1 1 403.542 2.940 50 0 HFAAMO CC(C)C[NH+]1CCN([C@@H]2CCOC3(CCN(C(=O)c4cccnc4)CC3)C2)CC1 ZINC000581819837 569320940 /nfs/dbraw/zinc/32/09/40/569320940.db2.gz NVUZSKTYSDFLGR-OAQYLSRUSA-N 1 1 400.567 2.509 50 0 HFAAMO CC[C@H](C)[C@@H](NC(=O)[C@H]1Cc2ccccc2C[NH2+]1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000253487709 569381739 /nfs/dbraw/zinc/38/17/39/569381739.db2.gz OKWVSEAJCQWYPN-VQPPSCEASA-N 1 1 423.513 2.642 50 0 HFAAMO CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccccc2C[NH2+]1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000253487849 569381743 /nfs/dbraw/zinc/38/17/43/569381743.db2.gz RVKGMCXDGHVMIK-HLLQZAQXSA-N 1 1 409.486 2.599 50 0 HFAAMO CCOC(=O)c1c(NC(=O)C[N@@H+]2CCCC[C@H]2CCO)c2cc(OC)ccc2n1C ZINC000002408646 569396390 /nfs/dbraw/zinc/39/63/90/569396390.db2.gz UVSIRHAPKJJXPK-HNNXBMFYSA-N 1 1 417.506 2.539 50 0 HFAAMO CCOC(=O)c1c(NC(=O)C[N@H+]2CCCC[C@H]2CCO)c2cc(OC)ccc2n1C ZINC000002408646 569396391 /nfs/dbraw/zinc/39/63/91/569396391.db2.gz UVSIRHAPKJJXPK-HNNXBMFYSA-N 1 1 417.506 2.539 50 0 HFAAMO COc1ccc(-c2noc(C[N@@H+]3CCC[C@H](C(=O)NCC(C)C)C3)n2)cc1OC ZINC000013367249 569412324 /nfs/dbraw/zinc/41/23/24/569412324.db2.gz NVOGLLCKQVRGAY-INIZCTEOSA-N 1 1 402.495 2.738 50 0 HFAAMO COc1ccc(-c2noc(C[N@H+]3CCC[C@H](C(=O)NCC(C)C)C3)n2)cc1OC ZINC000013367249 569412325 /nfs/dbraw/zinc/41/23/25/569412325.db2.gz NVOGLLCKQVRGAY-INIZCTEOSA-N 1 1 402.495 2.738 50 0 HFAAMO CCOC(=O)C1=C(C[NH+]2CCC(C)CC2)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000067285854 571064539 /nfs/dbraw/zinc/06/45/39/571064539.db2.gz GZJKLJDWZFBNRX-HXUWFJFHSA-N 1 1 417.506 2.607 50 0 HFAAMO CC(C)c1ccc(SCC(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000040121281 571177187 /nfs/dbraw/zinc/17/71/87/571177187.db2.gz IGFSVIXXFUXRFN-UHFFFAOYSA-N 1 1 403.592 2.915 50 0 HFAAMO O=C(Nc1ccccc1)[C@H]1CCC[N@H+](Cc2ccc(S(=O)(=O)N3CCCC3)o2)C1 ZINC000040153737 571201223 /nfs/dbraw/zinc/20/12/23/571201223.db2.gz LEZNXBPPTSYTIL-KRWDZBQOSA-N 1 1 417.531 2.915 50 0 HFAAMO O=C(Nc1ccccc1)[C@H]1CCC[N@@H+](Cc2ccc(S(=O)(=O)N3CCCC3)o2)C1 ZINC000040153737 571201226 /nfs/dbraw/zinc/20/12/26/571201226.db2.gz LEZNXBPPTSYTIL-KRWDZBQOSA-N 1 1 417.531 2.915 50 0 HFAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)c2ccc(OCc3nccn3C)cc2)ccn1 ZINC000040154739 571202233 /nfs/dbraw/zinc/20/22/33/571202233.db2.gz NWDJGZMWPYPVCI-UHFFFAOYSA-N 1 1 402.458 2.818 50 0 HFAAMO COCC[N@H+]1CCc2c(cccc2-n2nnc(C(=O)NCC3CCCCC3)c2C)C1 ZINC000069948501 571250864 /nfs/dbraw/zinc/25/08/64/571250864.db2.gz FQGUICASKRBSNE-UHFFFAOYSA-N 1 1 411.550 2.890 50 0 HFAAMO COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CC[N@H+]1C ZINC000019418974 291225647 /nfs/dbraw/zinc/22/56/47/291225647.db2.gz AKNNEGZIBPJZJG-MSOLQXFVSA-N 1 1 413.426 2.882 50 0 endogenous,investigational HFAAMO COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CC[N@@H+]1C ZINC000019418974 291225649 /nfs/dbraw/zinc/22/56/49/291225649.db2.gz AKNNEGZIBPJZJG-MSOLQXFVSA-N 1 1 413.426 2.882 50 0 endogenous,investigational HFAAMO O=C(C[NH+]1CCC(C(=O)N2CCN(c3ccccc3)CC2)CC1)Nc1ccc(F)cc1 ZINC000009067766 132227962 /nfs/dbraw/zinc/22/79/62/132227962.db2.gz KAWXMTCMXRTNEU-UHFFFAOYSA-N 1 1 424.520 2.825 50 0 HFAAMO CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C[N@@H+]1CCC[C@H](C)C1 ZINC000005568783 132306865 /nfs/dbraw/zinc/30/68/65/132306865.db2.gz OHNSADGRVLKAAF-KRWDZBQOSA-N 1 1 405.539 2.991 50 0 HFAAMO CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C[N@H+]1CCC[C@H](C)C1 ZINC000005568783 132306867 /nfs/dbraw/zinc/30/68/67/132306867.db2.gz OHNSADGRVLKAAF-KRWDZBQOSA-N 1 1 405.539 2.991 50 0 HFAAMO C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000008924190 132334153 /nfs/dbraw/zinc/33/41/53/132334153.db2.gz UDLSAKADJPPKSM-MAUKXSAKSA-N 1 1 407.470 2.969 50 0 HFAAMO C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000008924190 132334154 /nfs/dbraw/zinc/33/41/54/132334154.db2.gz UDLSAKADJPPKSM-MAUKXSAKSA-N 1 1 407.470 2.969 50 0 HFAAMO CN1CCN(c2ccc(C(=O)N[C@H]3CCC[N@@H+](C4Cc5ccccc5C4)C3)cc2)CC1 ZINC000012437549 132359930 /nfs/dbraw/zinc/35/99/30/132359930.db2.gz GBFZFUHGTVCVGS-QHCPKHFHSA-N 1 1 418.585 2.800 50 0 HFAAMO CN1CCN(c2ccc(C(=O)N[C@H]3CCC[N@H+](C4Cc5ccccc5C4)C3)cc2)CC1 ZINC000012437549 132359931 /nfs/dbraw/zinc/35/99/31/132359931.db2.gz GBFZFUHGTVCVGS-QHCPKHFHSA-N 1 1 418.585 2.800 50 0 HFAAMO CC(C)C[C@@H](CNC(=O)Nc1ccc(C(=O)N2CCCC2)cc1)[NH+]1CCOCC1 ZINC000044014235 519208884 /nfs/dbraw/zinc/20/88/84/519208884.db2.gz JLWGYFNSVCKFSG-FQEVSTJZSA-N 1 1 402.539 2.791 50 0 HFAAMO CCOC(=O)N1CCN([C@@H]2CCC[N@@H+](Cc3ccc(OC)c(COC)c3)C2)CC1 ZINC000020600574 520960074 /nfs/dbraw/zinc/96/00/74/520960074.db2.gz YXUCNTVWBFPXCK-HXUWFJFHSA-N 1 1 405.539 2.580 50 0 HFAAMO CN1CC[NH+](CCCNC(=O)c2ccc3nc(Cc4ccccc4F)oc3c2)CC1 ZINC000040451191 523898602 /nfs/dbraw/zinc/89/86/02/523898602.db2.gz ZENDSWBRZPVXJL-UHFFFAOYSA-N 1 1 410.493 2.925 50 0 HFAAMO C[NH+]1CCN(c2nc3c(cnn3-c3ccc(F)cc3)c(NCc3ccco3)n2)CC1 ZINC000040285313 523929981 /nfs/dbraw/zinc/92/99/81/523929981.db2.gz HPZRDTSCDKROAA-UHFFFAOYSA-N 1 1 407.453 2.912 50 0 HFAAMO Cc1occc1C(=O)Nc1nc(CC(=O)NC[C@H](c2ccco2)[NH+](C)C)cs1 ZINC000044852566 526815205 /nfs/dbraw/zinc/81/52/05/526815205.db2.gz BWXXFCFYUZCKRF-OAHLLOKOSA-N 1 1 402.476 2.851 50 0 HFAAMO Cc1c(C(=O)N[C@@H](C)C(C)C)nnn1-c1cccc2c1CC[N@H+](C1CCOCC1)C2 ZINC000071890392 557315026 /nfs/dbraw/zinc/31/50/26/557315026.db2.gz XWBFKMJHFZQTGV-INIZCTEOSA-N 1 1 411.550 2.887 50 0 HFAAMO Cc1c(C(=O)N2C[C@@H](C)O[C@H](C)C2)nnn1-c1cccc2c1CC[N@@H+](CC1CC1)C2 ZINC000071890453 557315475 /nfs/dbraw/zinc/31/54/75/557315475.db2.gz BOEQXJRTKLBDRR-HZPDHXFCSA-N 1 1 409.534 2.593 50 0 HFAAMO C[NH+]1CCN(c2nc3c(c(N4CCCC4)n2)CN(Cc2ccc(F)cc2)CC3)CC1 ZINC000034755412 557457886 /nfs/dbraw/zinc/45/78/86/557457886.db2.gz MUYQLXDSLFGFLV-UHFFFAOYSA-N 1 1 410.541 2.526 50 0 HFAAMO O=C1CCCN1CCC1CC[NH+]([C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)CC1 ZINC000004196497 557527864 /nfs/dbraw/zinc/52/78/64/557527864.db2.gz HEAYDAUBAJWWFS-GOSISDBHSA-N 1 1 403.910 2.696 50 0 HFAAMO CC(C)c1cc(=O)n2c(n1)SC[C@H]2CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022768852 557818631 /nfs/dbraw/zinc/81/86/31/557818631.db2.gz MYTJJFRPGWRHOB-GOSISDBHSA-N 1 1 412.559 2.748 50 0 HFAAMO C[C@@H](C[N@@H+]1CCc2nnc(CNC(=O)Cc3cccc(F)c3)n2CC1)c1ccccc1 ZINC000011813099 558277675 /nfs/dbraw/zinc/27/76/75/558277675.db2.gz JGUKSTIKOZPTIO-SFHVURJKSA-N 1 1 421.520 2.938 50 0 HFAAMO Cc1nn(CC(=O)N2CCC[C@@H]([N@@H+](C)Cc3ccccc3)C2)c(=O)c2ccccc12 ZINC000011816456 558279846 /nfs/dbraw/zinc/27/98/46/558279846.db2.gz HDJJXFOUSBBPPG-HXUWFJFHSA-N 1 1 404.514 2.828 50 0 HFAAMO C[NH+](C)CCN(C[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)c1csnn1 ZINC000011844574 558289313 /nfs/dbraw/zinc/28/93/13/558289313.db2.gz MTJDEDQJMVXVPQ-MRXNPFEDSA-N 1 1 405.543 2.593 50 0 HFAAMO Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+](C3CCN(C(=O)C4CC4)CC3)C2)cc1F ZINC000011872921 558290938 /nfs/dbraw/zinc/29/09/38/558290938.db2.gz ZACOAIAFBLVTGF-LJQANCHMSA-N 1 1 401.526 2.863 50 0 HFAAMO COc1cccc(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccc4nonc43)C2)c1OC ZINC000011878161 558292422 /nfs/dbraw/zinc/29/24/22/558292422.db2.gz DPHYSPONRSCZAQ-OAHLLOKOSA-N 1 1 410.474 2.882 50 0 HFAAMO C[NH+]1CCN(C(=O)CCN2C(=O)c3ccccc3[C@@H]2c2c[nH]c3ccccc32)CC1 ZINC000019921447 558307179 /nfs/dbraw/zinc/30/71/79/558307179.db2.gz QRJGMFIPYVWIAZ-HSZRJFAPSA-N 1 1 402.498 2.877 50 0 HFAAMO C[NH+]1CCN(C(=O)CCN2C(=O)c3ccccc3[C@H]2c2c[nH]c3ccccc32)CC1 ZINC000019921450 558307216 /nfs/dbraw/zinc/30/72/16/558307216.db2.gz QRJGMFIPYVWIAZ-QHCPKHFHSA-N 1 1 402.498 2.877 50 0 HFAAMO Cc1ccc(C(=O)NCCc2nnc3n2CC[N@H+](Cc2cccc(C)c2)CC3)cc1 ZINC000012020844 558309469 /nfs/dbraw/zinc/30/94/69/558309469.db2.gz BDGTYQBIUHLDSW-UHFFFAOYSA-N 1 1 403.530 2.926 50 0 HFAAMO COc1cc(C[N@H+]2CCC[C@@H](C)C2)ccc1OCCCNC(=O)c1cnsn1 ZINC000012036748 558311945 /nfs/dbraw/zinc/31/19/45/558311945.db2.gz ITOHZAIVFXSSJE-OAHLLOKOSA-N 1 1 404.536 2.978 50 0 HFAAMO CC(C)[C@H](NC(=O)[C@@H]1CCOC1)c1nnc2n1CC[N@H+](CC1CCCCC1)CC2 ZINC000012162026 558342097 /nfs/dbraw/zinc/34/20/97/558342097.db2.gz IFECHVVGWVEMHH-QUCCMNQESA-N 1 1 403.571 2.566 50 0 HFAAMO COC(=O)c1ccc(OC[C@H](O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000020232285 558350090 /nfs/dbraw/zinc/35/00/90/558350090.db2.gz RHQKPIPVMLBVJH-LJQANCHMSA-N 1 1 404.894 2.689 50 0 HFAAMO CC[NH+]1CCN(C(=O)CCC2CCN(C(=O)c3cc4ccccc4n3C)CC2)CC1 ZINC000020235816 558350757 /nfs/dbraw/zinc/35/07/57/558350757.db2.gz PEMCBKMJJZNBPQ-UHFFFAOYSA-N 1 1 410.562 2.975 50 0 HFAAMO C[C@@H](C(=O)N1CCN(Cc2ccccc2)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020432367 558362904 /nfs/dbraw/zinc/36/29/04/558362904.db2.gz WEBKZHJPVWUTOP-QFIPXVFZSA-N 1 1 406.574 2.537 50 0 HFAAMO C[NH+]1CCN(C(=O)CC[C@H]2CCCN(C(=O)Cc3c(F)cccc3Cl)C2)CC1 ZINC000020451142 558365750 /nfs/dbraw/zinc/36/57/50/558365750.db2.gz HFPCUYJHLYKZLP-MRXNPFEDSA-N 1 1 409.933 2.814 50 0 HFAAMO C[NH+]1CCN(C(=O)CC[C@@H]2CCCN(C(=O)Cc3c(F)cccc3Cl)C2)CC1 ZINC000020451140 558365794 /nfs/dbraw/zinc/36/57/94/558365794.db2.gz HFPCUYJHLYKZLP-INIZCTEOSA-N 1 1 409.933 2.814 50 0 HFAAMO CCn1ccnc1CN(C)Cc1ccc(OC)c(OC[C@@H](O)C[N@@H+](C)C(C)C)c1 ZINC000012297558 558367567 /nfs/dbraw/zinc/36/75/67/558367567.db2.gz HGZILRLLKXSKBF-IBGZPJMESA-N 1 1 404.555 2.624 50 0 HFAAMO COCC[NH+]1CCC(CN(C[C@H]2CCCO2)C(=O)c2[nH]nc3ccccc32)CC1 ZINC000012317423 558380761 /nfs/dbraw/zinc/38/07/61/558380761.db2.gz KCOMGKJJAAFYGQ-GOSISDBHSA-N 1 1 400.523 2.543 50 0 HFAAMO COC(=O)c1ccc(Cl)c(NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000020512247 558382416 /nfs/dbraw/zinc/38/24/16/558382416.db2.gz HYOGEDYQZJXHPP-UHFFFAOYSA-N 1 1 401.894 2.883 50 0 HFAAMO O=C(CCSc1nc(Cl)nc2[nH]cnc21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020646969 558397170 /nfs/dbraw/zinc/39/71/70/558397170.db2.gz AZXWNJWVEAWGSS-UHFFFAOYSA-N 1 1 416.938 2.833 50 0 HFAAMO CCn1cc(C[N@H+]2CCC[C@H](CNC(=O)COc3ccccc3OC)C2)c(C)n1 ZINC000012440502 558411752 /nfs/dbraw/zinc/41/17/52/558411752.db2.gz PUDMUVNABBAMEZ-GOSISDBHSA-N 1 1 400.523 2.627 50 0 HFAAMO C[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)CCc1nnc(-c2ccc3c(c2)OCO3)o1 ZINC000020906910 558421306 /nfs/dbraw/zinc/42/13/06/558421306.db2.gz GVNZYZXYYPWRPG-SFHVURJKSA-N 1 1 420.469 2.571 50 0 HFAAMO CC(C)(C)OC(=O)N1CCC(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000020938036 558424642 /nfs/dbraw/zinc/42/46/42/558424642.db2.gz WUWDSEZTISDLKO-UHFFFAOYSA-N 1 1 409.571 2.785 50 0 HFAAMO O=C(CN1CCOc2ccccc2C1)N[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012594459 558437083 /nfs/dbraw/zinc/43/70/83/558437083.db2.gz LYVXVNSNJQHPLD-JOCHJYFZSA-N 1 1 405.542 2.629 50 0 HFAAMO O=C(NC[C@H]1CCCO1)C1CC[NH+](C2CCN(C3Cc4ccccc4C3)CC2)CC1 ZINC000012701890 558448086 /nfs/dbraw/zinc/44/80/86/558448086.db2.gz FCQRCMUVXAWSBN-XMMPIXPASA-N 1 1 411.590 2.625 50 0 HFAAMO O=C(NC[C@H]1CCCO1)C1CCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)CC1 ZINC000012701890 558448088 /nfs/dbraw/zinc/44/80/88/558448088.db2.gz FCQRCMUVXAWSBN-XMMPIXPASA-N 1 1 411.590 2.625 50 0 HFAAMO COc1ccc(F)c(CN2CCC[C@]3(CC[N@@H+](Cc4cnn(C)c4C)C3)C2=O)c1 ZINC000012714030 558454111 /nfs/dbraw/zinc/45/41/11/558454111.db2.gz MUSBZDLDXRUCGU-JOCHJYFZSA-N 1 1 400.498 2.891 50 0 HFAAMO COC(=O)c1ccc(-c2noc(C[N@H+]3CCCC[C@H]3CCN3CCOCC3)n2)cc1 ZINC000012713786 558454166 /nfs/dbraw/zinc/45/41/66/558454166.db2.gz SDEWYLQFUJWZEI-IBGZPJMESA-N 1 1 414.506 2.600 50 0 HFAAMO CCN(C[C@@H]1CCC[N@@H+](CCc2cccc(F)c2)C1)C(=O)C1=NN(C)C(=O)CC1 ZINC000012719087 558456466 /nfs/dbraw/zinc/45/64/66/558456466.db2.gz ZTWGTTUOYWAKRO-GOSISDBHSA-N 1 1 402.514 2.537 50 0 HFAAMO COc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(C)o3)N3CC[NH+](C)CC3)no2)cc1 ZINC000022938468 558527516 /nfs/dbraw/zinc/52/75/16/558527516.db2.gz UNSYCZGIHGJVAX-FQEVSTJZSA-N 1 1 424.501 2.970 50 0 HFAAMO O=C(CSc1ncnc2sccc21)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000023763770 558575407 /nfs/dbraw/zinc/57/54/07/558575407.db2.gz HDSULNDEQLSQML-UHFFFAOYSA-N 1 1 406.577 2.935 50 0 HFAAMO CC(C)[C@H](CNC(=O)c1ccc(Cn2nnc3ccccc32)cc1)[NH+]1CCOCC1 ZINC000025327454 558638104 /nfs/dbraw/zinc/63/81/04/558638104.db2.gz XMKPMKRKDMUUBV-QFIPXVFZSA-N 1 1 407.518 2.566 50 0 HFAAMO COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[NH+]1CCC(C)CC1 ZINC000014360221 558652964 /nfs/dbraw/zinc/65/29/64/558652964.db2.gz FVJHITBAMCSLPM-UHFFFAOYSA-N 1 1 409.552 2.540 50 0 HFAAMO CCOC(=O)[C@]1(CCOC)CCC[N@@H+](Cc2ccc(OC)c(Cn3cncn3)c2)C1 ZINC000014956299 558682460 /nfs/dbraw/zinc/68/24/60/558682460.db2.gz FODVKBUECMNSQD-QFIPXVFZSA-N 1 1 416.522 2.517 50 0 HFAAMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3CCN(c4ccccc4O)CC3)cc2)C[C@H](C)O1 ZINC000028844785 558705874 /nfs/dbraw/zinc/70/58/74/558705874.db2.gz OZCJKRGOUATEDR-KDURUIRLSA-N 1 1 409.530 2.964 50 0 HFAAMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3CCN(c4ccccc4O)CC3)cc2)C[C@H](C)O1 ZINC000028844785 558705878 /nfs/dbraw/zinc/70/58/78/558705878.db2.gz OZCJKRGOUATEDR-KDURUIRLSA-N 1 1 409.530 2.964 50 0 HFAAMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CCN(c4ccccc4O)CC3)cc2)C[C@@H](C)O1 ZINC000028844784 558705955 /nfs/dbraw/zinc/70/59/55/558705955.db2.gz OZCJKRGOUATEDR-RTBURBONSA-N 1 1 409.530 2.964 50 0 HFAAMO Cc1ccc(-c2n[nH]cc2[C@H]2NC(=[NH2+])Nc3nc4cc5c(cc4n32)OCCCO5)o1 ZINC000011035700 558706152 /nfs/dbraw/zinc/70/61/52/558706152.db2.gz CPGZHUFHZPQCQW-SFHVURJKSA-N 1 1 405.418 2.585 50 0 HFAAMO O=C(NCc1ccc(F)c(F)c1)[C@@H]1CCC[N@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000015064080 558706714 /nfs/dbraw/zinc/70/67/14/558706714.db2.gz KEXYHYKHIUJUAL-QGZVFWFLSA-N 1 1 405.489 2.694 50 0 HFAAMO CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)N1CCN(c2ncccn2)CC1 ZINC000072289637 558722201 /nfs/dbraw/zinc/72/22/01/558722201.db2.gz NEFNIJUHKDNLHM-NRFANRHFSA-N 1 1 422.577 2.781 50 0 HFAAMO Cc1nc(N2CCCC2)cc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)[nH+]1 ZINC000015671251 558748327 /nfs/dbraw/zinc/74/83/27/558748327.db2.gz CAQYMASKQPFBNX-UHFFFAOYSA-N 1 1 421.954 2.550 50 0 HFAAMO Cc1ccc(C)c(S(=O)(=O)N2CCN(c3cc(N4CCCC4)nc(C)[nH+]3)CC2)c1 ZINC000015671249 558748375 /nfs/dbraw/zinc/74/83/75/558748375.db2.gz ONSSHDSXCKCYKB-UHFFFAOYSA-N 1 1 415.563 2.513 50 0 HFAAMO Cc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCCCC4)nc(C)[nH+]3)CC2)cc1 ZINC000015671277 558748466 /nfs/dbraw/zinc/74/84/66/558748466.db2.gz QBIPTVWHPLUKQX-UHFFFAOYSA-N 1 1 415.563 2.595 50 0 HFAAMO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000015997065 558765733 /nfs/dbraw/zinc/76/57/33/558765733.db2.gz DIMRZIVYBGEWTB-QPXQOZNCSA-N 1 1 405.429 2.565 50 0 HFAAMO CC(C)C(=O)NCCc1nnc2n1CC[N@@H+](Cc1cccc(C(F)(F)F)c1)CC2 ZINC000039413255 558821079 /nfs/dbraw/zinc/82/10/79/558821079.db2.gz BANGLAZECPPDEI-UHFFFAOYSA-N 1 1 409.456 2.670 50 0 HFAAMO CC(C)C(=O)NCCc1nnc2n1CC[N@H+](Cc1cccc(C(F)(F)F)c1)CC2 ZINC000039413255 558821081 /nfs/dbraw/zinc/82/10/81/558821081.db2.gz BANGLAZECPPDEI-UHFFFAOYSA-N 1 1 409.456 2.670 50 0 HFAAMO COCc1nnc(C(=O)Nc2cccc(C(=O)NCC[N@H+]3CCCC[C@H]3C)c2)s1 ZINC000033027598 558850691 /nfs/dbraw/zinc/85/06/91/558850691.db2.gz KRBVOKIRCMNSAZ-CQSZACIVSA-N 1 1 417.535 2.541 50 0 HFAAMO COc1ccc(F)c(CN2CC[N@H+](Cc3cc(OC)cc(OC)c3)[C@@H](CCO)C2)c1 ZINC000019221377 558851937 /nfs/dbraw/zinc/85/19/37/558851937.db2.gz PBGITDJTIKUAKX-IBGZPJMESA-N 1 1 418.509 2.920 50 0 HFAAMO COc1ccc(F)c(CN2CC[N@@H+](Cc3cc(OC)cc(OC)c3)[C@@H](CCO)C2)c1 ZINC000019221377 558851939 /nfs/dbraw/zinc/85/19/39/558851939.db2.gz PBGITDJTIKUAKX-IBGZPJMESA-N 1 1 418.509 2.920 50 0 HFAAMO c1nc(N2CCOCC2)sc1C[N@H+]1CCC[C@@H](Nc2ccc3c(c2)OCCO3)C1 ZINC000055196166 558875520 /nfs/dbraw/zinc/87/55/20/558875520.db2.gz LAHRNWGYBKBHFZ-QGZVFWFLSA-N 1 1 416.547 2.827 50 0 HFAAMO O=C(C[C@@H]1C(=O)NCC[N@H+]1CC(c1ccccc1)c1ccccc1)N1CCCCO1 ZINC000055195729 558875559 /nfs/dbraw/zinc/87/55/59/558875559.db2.gz LYTWEPWZUXIZLT-JOCHJYFZSA-N 1 1 407.514 2.563 50 0 HFAAMO O=C(C[C@@H]1C(=O)NCC[N@@H+]1CC(c1ccccc1)c1ccccc1)N1CCCCO1 ZINC000055195729 558875561 /nfs/dbraw/zinc/87/55/61/558875561.db2.gz LYTWEPWZUXIZLT-JOCHJYFZSA-N 1 1 407.514 2.563 50 0 HFAAMO O=C(c1cncc(Cl)c1)N1CCC([N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071575505 558905593 /nfs/dbraw/zinc/90/55/93/558905593.db2.gz LMJYIYDBNJPVIP-MRXNPFEDSA-N 1 1 404.942 2.674 50 0 HFAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)CC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000033254508 558918377 /nfs/dbraw/zinc/91/83/77/558918377.db2.gz XTPKDFPJHSZOLB-LJQANCHMSA-N 1 1 421.607 2.858 50 0 HFAAMO COC(=O)c1ccc(C)c(NC(=O)NCc2ccc(N3CCC[N@@H+](C)CC3)nc2)c1 ZINC000058407159 558924888 /nfs/dbraw/zinc/92/48/88/558924888.db2.gz JWWGGOFLHHYHOB-UHFFFAOYSA-N 1 1 411.506 2.640 50 0 HFAAMO O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC000072115827 558926924 /nfs/dbraw/zinc/92/69/24/558926924.db2.gz IVUNGFWNVDQWEW-UHFFFAOYSA-N 1 1 421.954 2.631 50 0 HFAAMO Cc1ccc(NCc2ccc(C(=O)N3CCC[N@@H+]([C@H]4COC[C@@H]4O)CC3)cc2)cc1 ZINC000065526067 558978445 /nfs/dbraw/zinc/97/84/45/558978445.db2.gz ULDFJLBOKQMERM-GOTSBHOMSA-N 1 1 409.530 2.515 50 0 HFAAMO Cc1ccc(NCc2ccc(C(=O)N3CCC[N@H+]([C@H]4COC[C@@H]4O)CC3)cc2)cc1 ZINC000065526067 558978448 /nfs/dbraw/zinc/97/84/48/558978448.db2.gz ULDFJLBOKQMERM-GOTSBHOMSA-N 1 1 409.530 2.515 50 0 HFAAMO Cc1nc(-n2ccnc2)cc(N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)[nH+]1 ZINC000067604352 558988484 /nfs/dbraw/zinc/98/84/84/558988484.db2.gz PSNFPUOPTKVPDX-UHFFFAOYSA-N 1 1 416.407 2.952 50 0 HFAAMO Cc1[nH+]ccn1-c1cc(N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)ncn1 ZINC000067622897 558990066 /nfs/dbraw/zinc/99/00/66/558990066.db2.gz KCCPETXVTOIQBB-UHFFFAOYSA-N 1 1 416.407 2.952 50 0 HFAAMO Cc1cn2cc(CNC(=O)c3ccc(C[N@@H+]4CCC[C@H](C)CC4)[nH]c3=O)nc2s1 ZINC000077564995 559009319 /nfs/dbraw/zinc/00/93/19/559009319.db2.gz MCCMXWNTIIOCEH-AWEZNQCLSA-N 1 1 413.547 2.945 50 0 HFAAMO Cc1cc(N2CCC([N@H+]3CCC[C@H](C(=O)NCCc4ccccc4)C3)CC2)ncn1 ZINC000082091881 559037121 /nfs/dbraw/zinc/03/71/21/559037121.db2.gz LGEJYMQKXMLQCV-NRFANRHFSA-N 1 1 407.562 2.825 50 0 HFAAMO O=C(NCCc1nccs1)[C@@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082093046 559037341 /nfs/dbraw/zinc/03/73/41/559037341.db2.gz MKCZFCDSNKWPPZ-LJQANCHMSA-N 1 1 413.591 2.573 50 0 HFAAMO O=C(NCc1cccnc1)[C@H]1CCC[N@H+](C2CCN(C(=O)c3ccccc3)CC2)C1 ZINC000082092926 559037393 /nfs/dbraw/zinc/03/73/93/559037393.db2.gz NQEMKGASHHKHCI-NRFANRHFSA-N 1 1 406.530 2.715 50 0 HFAAMO CCCN(CCO)C(=O)[C@H]1CCC[N@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000082097053 559037446 /nfs/dbraw/zinc/03/74/46/559037446.db2.gz STNBDKBABWLLTD-SFHVURJKSA-N 1 1 414.550 2.740 50 0 HFAAMO Cc1nc(CNC(=O)[C@H]2CCC[N@H+](C3CCN(Cc4cccnc4)CC3)C2)cs1 ZINC000082108033 559038677 /nfs/dbraw/zinc/03/86/77/559038677.db2.gz XSRBMNHRWACLKC-IBGZPJMESA-N 1 1 413.591 2.839 50 0 HFAAMO O=C([C@@H]1CCC[N@@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1)N1CCCOCC1 ZINC000091663470 559072858 /nfs/dbraw/zinc/07/28/58/559072858.db2.gz GRROLAWQPDYBIY-JOCHJYFZSA-N 1 1 411.590 2.579 50 0 HFAAMO O=C([C@@H]1CCC[N@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1)N1CCCOCC1 ZINC000091663470 559072859 /nfs/dbraw/zinc/07/28/59/559072859.db2.gz GRROLAWQPDYBIY-JOCHJYFZSA-N 1 1 411.590 2.579 50 0 HFAAMO COCCCNC(=O)[C@@H]1CCC[N@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000091757613 559073479 /nfs/dbraw/zinc/07/34/79/559073479.db2.gz XCIBHMUDBSVYSB-QGZVFWFLSA-N 1 1 400.523 2.661 50 0 HFAAMO CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)C[N@H+](C)[C@@H](C)CSC)c1 ZINC000072290425 559078457 /nfs/dbraw/zinc/07/84/57/559078457.db2.gz QTCSYXRJRVVVRD-ZDUSSCGKSA-N 1 1 422.016 2.992 50 0 HFAAMO CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)C[N@@H+](C)[C@@H](C)CSC)c1 ZINC000072290425 559078458 /nfs/dbraw/zinc/07/84/58/559078458.db2.gz QTCSYXRJRVVVRD-ZDUSSCGKSA-N 1 1 422.016 2.992 50 0 HFAAMO Cc1cccc(-c2ncc(C(=O)NCc3cccnc3)c(N3CC[NH+](C)CC3)n2)c1 ZINC000096210139 559101391 /nfs/dbraw/zinc/10/13/91/559101391.db2.gz NZMMZBYQJKEDQH-UHFFFAOYSA-N 1 1 402.502 2.529 50 0 HFAAMO COCCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)CN1Cc2ccccc2C1=O ZINC000409414282 559249774 /nfs/dbraw/zinc/24/97/74/559249774.db2.gz KBJJUMVTEAILRL-RBBKRZOGSA-N 1 1 413.562 2.772 50 0 biogenic HFAAMO CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccccc3F)C(=O)[C@@H]1[C@H]1CCC[N@H+]12 ZINC000101344410 560793152 /nfs/dbraw/zinc/79/31/52/560793152.db2.gz MEEKKTRFOXYBCC-FDGPYGQJSA-N 1 1 419.456 2.671 50 0 HFAAMO O=S(=O)(Cc1ccccc1Cl)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000012068972 560888184 /nfs/dbraw/zinc/88/81/84/560888184.db2.gz UCOPBMRVVCLEFW-UHFFFAOYSA-N 1 1 407.967 2.972 50 0 HFAAMO Cc1cccc(N2C(=O)C[C@H]([NH+]3CCC(n4nnc(-c5cccs5)n4)CC3)C2=O)c1 ZINC000025174461 560891158 /nfs/dbraw/zinc/89/11/58/560891158.db2.gz ZQRXLAFBZVFFDN-KRWDZBQOSA-N 1 1 422.514 2.679 50 0 HFAAMO Cc1cccc(C)c1N1C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(c4ccccc4NC3=O)[C@H]2C1=O ZINC000106535847 560892238 /nfs/dbraw/zinc/89/22/38/560892238.db2.gz DANMZDFCDJOVND-LUCIHVKJSA-N 1 1 401.466 2.735 50 0 HFAAMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)O1 ZINC000107536822 560896428 /nfs/dbraw/zinc/89/64/28/560896428.db2.gz QFWMOFUHPGYHGQ-HOJAQTOUSA-N 1 1 417.550 2.792 50 0 HFAAMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)O1 ZINC000107536822 560896429 /nfs/dbraw/zinc/89/64/29/560896429.db2.gz QFWMOFUHPGYHGQ-HOJAQTOUSA-N 1 1 417.550 2.792 50 0 HFAAMO O=C(NC[C@H]1CCCN(Cc2cnc(-c3ccc(Cl)cc3)nc2)C1)[C@H]1CCC[NH2+]1 ZINC000108460474 568418986 /nfs/dbraw/zinc/41/89/86/568418986.db2.gz RPDGSOZTXCSYJL-OXQOHEQNSA-N 1 1 413.953 2.877 50 0 HFAAMO Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NCC[N@H+](C)C3CC3)cc2)cc1C ZINC000048262720 568433725 /nfs/dbraw/zinc/43/37/25/568433725.db2.gz AFDBYHUCKBGMEE-UHFFFAOYSA-N 1 1 401.532 2.928 50 0 HFAAMO CN(C)c1nc(Cl)c([C@H]2NC(=[NH2+])Nc3nc4cc5c(cc4n32)OCCCO5)s1 ZINC000048310462 568436694 /nfs/dbraw/zinc/43/66/94/568436694.db2.gz ICSHZINZSZKKOB-AWEZNQCLSA-N 1 1 419.898 2.870 50 0 HFAAMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000048325963 568438844 /nfs/dbraw/zinc/43/88/44/568438844.db2.gz CRDNOLRBJKWPSQ-QUCCMNQESA-N 1 1 407.580 2.611 50 0 HFAAMO CCOC(=O)NCC(=O)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000048340033 568440226 /nfs/dbraw/zinc/44/02/26/568440226.db2.gz LVZUCFGJPUQHRQ-UHFFFAOYSA-N 1 1 405.495 2.945 50 0 HFAAMO C[C@@H](NC(=O)C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)c1ccc2c(c1)OCO2 ZINC000012284501 568458122 /nfs/dbraw/zinc/45/81/22/568458122.db2.gz MGAZOXRGCDNTAJ-AEFFLSMTSA-N 1 1 409.486 2.943 50 0 HFAAMO CCn1cc(CNCc2cccc(OC[C@H](O)C[N@@H+]3CCc4ccccc4C3)c2)cn1 ZINC000012303642 568464935 /nfs/dbraw/zinc/46/49/35/568464935.db2.gz OIZXIMDHAYLGQN-XMMPIXPASA-N 1 1 420.557 2.991 50 0 HFAAMO CCn1cc(CNCc2cccc(OC[C@H](O)C[N@H+]3CCc4ccccc4C3)c2)cn1 ZINC000012303642 568464937 /nfs/dbraw/zinc/46/49/37/568464937.db2.gz OIZXIMDHAYLGQN-XMMPIXPASA-N 1 1 420.557 2.991 50 0 HFAAMO COCO[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1[C@@H]1OC(C)(C)O[C@H]1[C@@H]1COC(C)(C)O1 ZINC000601014255 568587300 /nfs/dbraw/zinc/58/73/00/568587300.db2.gz CTLIOWSDMFXLDV-SYAJIYQZSA-N 1 1 421.534 2.922 50 0 HFAAMO COCO[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1[C@@H]1OC(C)(C)O[C@@H]1[C@H]1COC(C)(C)O1 ZINC000601014246 568587448 /nfs/dbraw/zinc/58/74/48/568587448.db2.gz CTLIOWSDMFXLDV-ADAARDCZSA-N 1 1 421.534 2.922 50 0 HFAAMO O=C(CCCN1C(=O)CSc2ncccc21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020415186 568605959 /nfs/dbraw/zinc/60/59/59/568605959.db2.gz XWXLUDIDDVELBB-UHFFFAOYSA-N 1 1 410.543 2.645 50 0 HFAAMO CCN1CCN(C[C@@H](O)COc2ccc(C[NH2+]CC3CCCCC3)cc2OC)CC1 ZINC000020534714 568630115 /nfs/dbraw/zinc/63/01/15/568630115.db2.gz ODUSGNMCSBLVAX-JOCHJYFZSA-N 1 1 419.610 2.742 50 0 HFAAMO Cc1nc(NC(=O)[C@@H](C)NC(=O)N2CC[NH+](Cc3ccccc3)CC2)sc1C ZINC000095476358 568630514 /nfs/dbraw/zinc/63/05/14/568630514.db2.gz UZWXHRJCRCPPJO-OAHLLOKOSA-N 1 1 401.536 2.614 50 0 HFAAMO O=C(CN[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)Nc1ccc(N2CCCC2)cc1 ZINC000225352434 568631079 /nfs/dbraw/zinc/63/10/79/568631079.db2.gz DXRXGRWYXJHXMC-QPPBQGQZSA-N 1 1 422.573 2.698 50 0 HFAAMO O=C(C[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1CO)Nc1ccc(N2CCCC2)cc1 ZINC000225352434 568631080 /nfs/dbraw/zinc/63/10/80/568631080.db2.gz DXRXGRWYXJHXMC-QPPBQGQZSA-N 1 1 422.573 2.698 50 0 HFAAMO Cc1noc2ncnc(N3CCC(C(=O)NCCC[N@@H+]4CCCC[C@@H]4C)CC3)c12 ZINC000020944861 568653145 /nfs/dbraw/zinc/65/31/45/568653145.db2.gz PKFXKHABVNRVBA-HNNXBMFYSA-N 1 1 400.527 2.523 50 0 HFAAMO CC[NH+]1CCN(c2nnc(-n3cccc3C(=O)NC3CCCCCC3)s2)CC1 ZINC000021535327 568711792 /nfs/dbraw/zinc/71/17/92/568711792.db2.gz FPZWJAFEPOSKKN-UHFFFAOYSA-N 1 1 402.568 2.923 50 0 HFAAMO CCN(CC)C(=O)c1cccc(NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000021578438 568719997 /nfs/dbraw/zinc/71/99/97/568719997.db2.gz RTPZJGWUUFLPJM-UHFFFAOYSA-N 1 1 408.546 2.925 50 0 HFAAMO COc1cc(NCc2cccn2-c2nnc(N3CC[NH+](C)CC3)s2)cc(OC)c1 ZINC000021880784 568757158 /nfs/dbraw/zinc/75/71/58/568757158.db2.gz URDQZOOHQGLFNQ-UHFFFAOYSA-N 1 1 414.535 2.710 50 0 HFAAMO CCOC(=O)c1ccc(N2C(=O)C[C@@H](NNc3[nH+]cc(Cl)cc3Cl)C2=O)cc1 ZINC000001083548 568768067 /nfs/dbraw/zinc/76/80/67/568768067.db2.gz RKYUMJWNLGTWDU-CQSZACIVSA-N 1 1 423.256 2.814 50 0 HFAAMO CC[NH+]1CCN([C@@H](c2cccs2)[C@H](C)NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000022460457 568768508 /nfs/dbraw/zinc/76/85/08/568768508.db2.gz HVWZGNWVOSXDQT-HNAYVOBHSA-N 1 1 411.568 2.933 50 0 HFAAMO COc1ccc(-c2nc(CC(=O)NC[C@@H]3C[N@@H+](CC(C)C)CCO3)cs2)cc1 ZINC000028016370 568777516 /nfs/dbraw/zinc/77/75/16/568777516.db2.gz VMYQFTMUVPCXSX-LJQANCHMSA-N 1 1 403.548 2.834 50 0 HFAAMO COc1ccccc1OCC(=O)NCC[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000056997394 568822690 /nfs/dbraw/zinc/82/26/90/568822690.db2.gz DVZDKBKBTJYPMB-UHFFFAOYSA-N 1 1 403.910 2.666 50 0 HFAAMO C[N@H+](Cc1ccccc1N1CCOCC1)[C@@H](C(=O)N1CCOCC1)c1ccccc1 ZINC000052781646 568839099 /nfs/dbraw/zinc/83/90/99/568839099.db2.gz RTWIRWHPUCWZBH-HSZRJFAPSA-N 1 1 409.530 2.555 50 0 HFAAMO C[N@@H+](Cc1ccccc1N1CCOCC1)[C@@H](C(=O)N1CCOCC1)c1ccccc1 ZINC000052781646 568839101 /nfs/dbraw/zinc/83/91/01/568839101.db2.gz RTWIRWHPUCWZBH-HSZRJFAPSA-N 1 1 409.530 2.555 50 0 HFAAMO Cc1ccc(-c2ccc(=O)n(CC(=O)N3CC[NH+](Cc4ccccc4)CC3)n2)cc1C ZINC000057486137 568842010 /nfs/dbraw/zinc/84/20/10/568842010.db2.gz CRTOLRWFXOVBLR-UHFFFAOYSA-N 1 1 416.525 2.872 50 0 HFAAMO C[NH+](C)CCNC(=O)c1ccc(CS(=O)(=O)c2c(Cl)cccc2Cl)o1 ZINC000003061878 568853071 /nfs/dbraw/zinc/85/30/71/568853071.db2.gz VUDULKAKPNUVLG-UHFFFAOYSA-N 1 1 405.303 2.852 50 0 HFAAMO CC[NH+](CC)CCNC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC000012605195 568870988 /nfs/dbraw/zinc/87/09/88/568870988.db2.gz QWWSEEYTXAXZNQ-UHFFFAOYSA-N 1 1 419.547 2.876 50 0 HFAAMO COc1ccc([C@H](CNS(=O)(=O)c2cnc3onc(C)c3c2)[NH+]2CCCC2)cc1 ZINC000058172755 568896360 /nfs/dbraw/zinc/89/63/60/568896360.db2.gz NXZBIQOMZIACSZ-IBGZPJMESA-N 1 1 416.503 2.655 50 0 HFAAMO O=C(N[C@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3)c1ccc(-c2cnco2)cc1 ZINC000670451190 568926109 /nfs/dbraw/zinc/92/61/09/568926109.db2.gz VNHOLSTUWIVNRY-KOXWRSSLSA-N 1 1 414.509 2.639 50 0 HFAAMO CC(C)c1ccc(C[NH+]2CCN(C(=O)CNC(=O)NCc3ccccc3)CC2)cc1 ZINC000012747098 568932739 /nfs/dbraw/zinc/93/27/39/568932739.db2.gz WSMGROBRTPKNSW-UHFFFAOYSA-N 1 1 408.546 2.954 50 0 HFAAMO COC(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[N@H+](C(C)C)C3)cc1 ZINC000004087159 568940888 /nfs/dbraw/zinc/94/08/88/568940888.db2.gz PGCLBZBZJPAHLT-UHFFFAOYSA-N 1 1 401.488 2.652 50 0 HFAAMO COC(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[N@@H+](C(C)C)C3)cc1 ZINC000004087159 568940889 /nfs/dbraw/zinc/94/08/89/568940889.db2.gz PGCLBZBZJPAHLT-UHFFFAOYSA-N 1 1 401.488 2.652 50 0 HFAAMO Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@H+](Cc2ccc(F)cc2)C2CC2)c1C ZINC000012912901 569022259 /nfs/dbraw/zinc/02/22/59/569022259.db2.gz VNJJURPDQSGHOF-UHFFFAOYSA-N 1 1 405.495 2.693 50 0 HFAAMO Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@@H+](Cc2ccc(F)cc2)C2CC2)c1C ZINC000012912901 569022260 /nfs/dbraw/zinc/02/22/60/569022260.db2.gz VNJJURPDQSGHOF-UHFFFAOYSA-N 1 1 405.495 2.693 50 0 HFAAMO Cc1cc(C)c(NC(=O)CN(C)CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c(C)c1 ZINC000012916995 569022474 /nfs/dbraw/zinc/02/24/74/569022474.db2.gz OIHPMSMDTWOBLI-UHFFFAOYSA-N 1 1 422.573 2.827 50 0 HFAAMO COc1ccc(CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000035485138 569039716 /nfs/dbraw/zinc/03/97/16/569039716.db2.gz GWZMFQLITHUZQN-VXKWHMMOSA-N 1 1 409.530 2.557 50 0 biogenic HFAAMO COc1cc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)NCc2ccco2)ccc1O ZINC000004082429 569042765 /nfs/dbraw/zinc/04/27/65/569042765.db2.gz USKDJLYEQAFBEQ-TZYHBYERSA-N 1 1 414.502 2.978 50 0 biogenic HFAAMO COc1cc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)NCc2ccco2)ccc1O ZINC000004082429 569042766 /nfs/dbraw/zinc/04/27/66/569042766.db2.gz USKDJLYEQAFBEQ-TZYHBYERSA-N 1 1 414.502 2.978 50 0 biogenic HFAAMO Cc1onc(-c2cccc(Br)c2)c1C(=O)NCCC[NH+]1CCOCC1 ZINC000035536402 569043582 /nfs/dbraw/zinc/04/35/82/569043582.db2.gz SFFMOKVJCWLMCJ-UHFFFAOYSA-N 1 1 408.296 2.865 50 0 HFAAMO C[NH+](C)CCn1cc(C(=O)c2ccccc2O)cc1-c1nc2ccccc2c(=O)[nH]1 ZINC000006590679 569068627 /nfs/dbraw/zinc/06/86/27/569068627.db2.gz PUXSPCGYUUTVBX-UHFFFAOYSA-N 1 1 402.454 2.890 50 0 HFAAMO COc1ccc(C[N@@H+](C[C@H](O)COCc2ccco2)C[C@H]2CCCO2)cc1OC ZINC000036096061 569090320 /nfs/dbraw/zinc/09/03/20/569090320.db2.gz UROMPUZNUDCWCU-RBUKOAKNSA-N 1 1 405.491 2.856 50 0 HFAAMO Cc1ccc(C[N@@H+](CCN2CCOCC2)C[C@H](O)COCc2ccccc2)s1 ZINC000036100892 569091417 /nfs/dbraw/zinc/09/14/17/569091417.db2.gz CRFPNDCPUMHYJJ-NRFANRHFSA-N 1 1 404.576 2.768 50 0 HFAAMO COc1ccc(C2=NN(C(=O)CN3CC[NH+](C)CC3)[C@@H](c3ccccc3C)C2)cc1 ZINC000036344920 569142544 /nfs/dbraw/zinc/14/25/44/569142544.db2.gz SIAHIFAILXUYKA-HSZRJFAPSA-N 1 1 406.530 2.929 50 0 HFAAMO Cc1ccc(-c2cnc(N3CCC[C@@H](C(=O)NCCC[NH+]4CCOCC4)C3)nc2)cc1 ZINC000065023422 569154973 /nfs/dbraw/zinc/15/49/73/569154973.db2.gz XFXARDMBGKHUHU-OAQYLSRUSA-N 1 1 423.561 2.507 50 0 HFAAMO C[C@H]1Cc2cc(S(=O)(=O)NCC[N@H+]3CCCC[C@H]3C)ccc2N1C(=O)C1CC1 ZINC000006866829 569158965 /nfs/dbraw/zinc/15/89/65/569158965.db2.gz XQIUOHMVPFMFTB-CVEARBPZSA-N 1 1 405.564 2.527 50 0 HFAAMO CCCn1c2ccccc2c2cnn(CC(=O)NCC[N@H+]3CCCC[C@@H]3C)c(=O)c21 ZINC000006900118 569176187 /nfs/dbraw/zinc/17/61/87/569176187.db2.gz WABOBCSRNZXLSF-KRWDZBQOSA-N 1 1 409.534 2.752 50 0 HFAAMO CCc1nc2c(c(=O)n1CC(=O)NCc1cccs1)C[N@@H+](Cc1ccccc1)CC2 ZINC000065153581 569187540 /nfs/dbraw/zinc/18/75/40/569187540.db2.gz XUZLVTOWQFMPEZ-UHFFFAOYSA-N 1 1 422.554 2.742 50 0 HFAAMO O=C(COc1ccccc1)N1CCN(c2nc(C[NH+]3CCCCC3)cs2)CC1 ZINC000065200170 569193734 /nfs/dbraw/zinc/19/37/34/569193734.db2.gz LZWQBCZNDCVINA-UHFFFAOYSA-N 1 1 400.548 2.857 50 0 HFAAMO CCCCN1CCN(C(=O)c2ccnc(N3CC[NH2+][C@H](c4ccccc4)C3)c2)CC1 ZINC000065255989 569208044 /nfs/dbraw/zinc/20/80/44/569208044.db2.gz FBWNOQFPTPWMJB-QFIPXVFZSA-N 1 1 407.562 2.790 50 0 HFAAMO COc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2C)cc1S(=O)(=O)N1CCCCC1 ZINC000007486677 569240962 /nfs/dbraw/zinc/24/09/62/569240962.db2.gz GUQROJUTCZORSM-INIZCTEOSA-N 1 1 409.552 2.683 50 0 HFAAMO COc1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2C)cc1S(=O)(=O)N1CCCCC1 ZINC000007486677 569240963 /nfs/dbraw/zinc/24/09/63/569240963.db2.gz GUQROJUTCZORSM-INIZCTEOSA-N 1 1 409.552 2.683 50 0 HFAAMO CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccccc3F)C(=O)[C@H]1[C@@H]1CCC[N@H+]12 ZINC000249691989 569255467 /nfs/dbraw/zinc/25/54/67/569255467.db2.gz MEEKKTRFOXYBCC-XHOYROJHSA-N 1 1 419.456 2.671 50 0 HFAAMO Cc1cc(Oc2cc(N3CC[NH+](CCN4CCOCC4)CC3)ncn2)ccc1Cl ZINC000037378344 569291663 /nfs/dbraw/zinc/29/16/63/569291663.db2.gz DJBNKUOIWNUWGB-UHFFFAOYSA-N 1 1 417.941 2.685 50 0 HFAAMO CC[NH+]1CCN(C(=O)c2ccccc2N2CCC(NC(=O)NC(C)(C)C)CC2)CC1 ZINC000037526130 569304131 /nfs/dbraw/zinc/30/41/31/569304131.db2.gz MJLPVRXWLIZTDF-UHFFFAOYSA-N 1 1 415.582 2.531 50 0 HFAAMO COc1ccc(CNC(=O)CC[N@H+]2CCc3cc(OC)c(OC)cc3C2)cc1OC ZINC000253409318 569366372 /nfs/dbraw/zinc/36/63/72/569366372.db2.gz LQWXOQBAIZAIGP-UHFFFAOYSA-N 1 1 414.502 2.786 50 0 biogenic HFAAMO C[C@@H](CNC(=O)C[C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1)C[NH+]1CCOCC1 ZINC000253428373 569368614 /nfs/dbraw/zinc/36/86/14/569368614.db2.gz CWWVGQXXOAFQRQ-ROUUACIJSA-N 1 1 411.587 2.744 50 0 HFAAMO CC(C)(C)OC(=O)NCCC[NH+]1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000253430830 569368893 /nfs/dbraw/zinc/36/88/93/569368893.db2.gz MAXQCTZJDKWYCI-UHFFFAOYSA-N 1 1 407.540 2.831 50 0 HFAAMO COCCn1nc(C(=O)N2CC[N@@H+](Cc3ccccc3)C3(CCCCC3)C2)ccc1=O ZINC000078879452 569421413 /nfs/dbraw/zinc/42/14/13/569421413.db2.gz WOCSPRBVUSMQFK-UHFFFAOYSA-N 1 1 424.545 2.551 50 0 HFAAMO CCc1ccc(-c2nc(C[S@@](=O)CC(=O)NCC[NH+]3CCCC3)c(C)o2)cc1 ZINC000008878456 571130855 /nfs/dbraw/zinc/13/08/55/571130855.db2.gz FVNBPFRMEMIOFH-NDEPHWFRSA-N 1 1 403.548 2.673 50 0 HFAAMO COCCOc1ccc(S(=O)(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1C ZINC000040087741 571158129 /nfs/dbraw/zinc/15/81/29/571158129.db2.gz PEUXWDLHEQQOLH-SFHVURJKSA-N 1 1 408.520 2.729 50 0 HFAAMO CCc1ccccc1OCC(=O)N1c2ccccc2CC[C@H]1C(=O)N1CC[NH+](C)CC1 ZINC000040134608 571187832 /nfs/dbraw/zinc/18/78/32/571187832.db2.gz HSLPUMRYBJAKPJ-QFIPXVFZSA-N 1 1 421.541 2.750 50 0 HFAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1ccc(CSc2nc[nH]n2)cc1 ZINC000040159676 571205611 /nfs/dbraw/zinc/20/56/11/571205611.db2.gz IZODKBALVKAKPN-UHFFFAOYSA-N 1 1 415.563 2.862 50 0 HFAAMO NC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000009334824 571248830 /nfs/dbraw/zinc/24/88/30/571248830.db2.gz JXAANMNICNPDMZ-YSFYHYPLSA-N 1 1 409.445 2.841 50 0 HFAAMO NC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000009334824 571248831 /nfs/dbraw/zinc/24/88/31/571248831.db2.gz JXAANMNICNPDMZ-YSFYHYPLSA-N 1 1 409.445 2.841 50 0 HFAAMO CCC[N@@H+]1CCc2c(sc(NC(=O)Cc3ccc4c(c3)OCO4)c2C(N)=O)C1 ZINC000009520931 571265666 /nfs/dbraw/zinc/26/56/66/571265666.db2.gz KMUKHQXCNOCWPR-UHFFFAOYSA-N 1 1 401.488 2.525 50 0 HFAAMO CCC[N@H+]1CCc2c(sc(NC(=O)Cc3ccc4c(c3)OCO4)c2C(N)=O)C1 ZINC000009520931 571265667 /nfs/dbraw/zinc/26/56/67/571265667.db2.gz KMUKHQXCNOCWPR-UHFFFAOYSA-N 1 1 401.488 2.525 50 0 HFAAMO Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C[N@H+](C)Cc1ccc(Cl)cc1 ZINC000009725818 571282364 /nfs/dbraw/zinc/28/23/64/571282364.db2.gz BZXKMELJOUWMJY-UHFFFAOYSA-N 1 1 409.939 2.969 50 0 HFAAMO Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000009725818 571282366 /nfs/dbraw/zinc/28/23/66/571282366.db2.gz BZXKMELJOUWMJY-UHFFFAOYSA-N 1 1 409.939 2.969 50 0 HFAAMO C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000006284797 132310105 /nfs/dbraw/zinc/31/01/05/132310105.db2.gz MAZYXEKZYYXGQI-YLJYHZDGSA-N 1 1 411.502 2.622 50 0 HFAAMO C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000006284797 132310107 /nfs/dbraw/zinc/31/01/07/132310107.db2.gz MAZYXEKZYYXGQI-YLJYHZDGSA-N 1 1 411.502 2.622 50 0 HFAAMO CCCC[N@@H+](CC)CCCNC(=O)[C@H]1CCCN(c2ncnc3onc(C)c32)C1 ZINC000007004668 132322045 /nfs/dbraw/zinc/32/20/45/132322045.db2.gz TZLSJARNESOVRQ-KRWDZBQOSA-N 1 1 402.543 2.771 50 0 HFAAMO CC[C@@H]1Oc2ccc(C)cc2N(CC(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1=O ZINC000008662155 132331961 /nfs/dbraw/zinc/33/19/61/132331961.db2.gz JNQCSOORLKPOAC-NSHGMRRFSA-N 1 1 401.551 2.983 50 0 HFAAMO COc1cccc(C[N@H+]2CCC[C@H](NC(=O)c3ccccc3N3CCOCC3)C2)c1 ZINC000011668023 132349122 /nfs/dbraw/zinc/34/91/22/132349122.db2.gz LIXFCVCZBYRJGK-FQEVSTJZSA-N 1 1 409.530 2.926 50 0 HFAAMO Cc1cccc(N2CC[NH+](CCNC(=O)C[C@H]3Sc4ccccc4NC3=O)CC2)c1 ZINC000012545105 132362759 /nfs/dbraw/zinc/36/27/59/132362759.db2.gz SYGPFELXNHZHPC-OAQYLSRUSA-N 1 1 424.570 2.736 50 0 HFAAMO Cc1cccc(N2CC[NH+](CCNC(=O)C[C@@H]3Sc4ccccc4NC3=O)CC2)c1 ZINC000012545104 132362763 /nfs/dbraw/zinc/36/27/63/132362763.db2.gz SYGPFELXNHZHPC-NRFANRHFSA-N 1 1 424.570 2.736 50 0 HFAAMO COC(=O)c1ccc2c(c1)nc(N1CC[NH+](C)CC1)n(-c1ccc(Cl)cc1)c2=O ZINC000033300504 132785279 /nfs/dbraw/zinc/78/52/79/132785279.db2.gz IIJNAMDKSYWBDZ-UHFFFAOYSA-N 1 1 412.877 2.578 50 0 HFAAMO CC(C)C[C@@H](CNC(=O)[C@H](C)NC(=O)C12CC3CC(CC(C3)C1)C2)[NH+]1CCOCC1 ZINC000032909735 519209315 /nfs/dbraw/zinc/20/93/15/519209315.db2.gz SGMNPTMTGDYUMD-BFNWDCHOSA-N 1 1 419.610 2.571 50 0 HFAAMO CCN1C[C@H](C[N@@H+](C)C[C@@H](O)COCc2ccccc2OC)Oc2ccccc21 ZINC000032814677 521729904 /nfs/dbraw/zinc/72/99/04/521729904.db2.gz YEQGQCMFKSOJFV-UXHICEINSA-N 1 1 400.519 2.792 50 0 HFAAMO COCCOc1ccc(S(=O)(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1C ZINC000032831118 524051916 /nfs/dbraw/zinc/05/19/16/524051916.db2.gz HRVSOJJXEKPACR-IBGZPJMESA-N 1 1 404.532 2.573 50 0 HFAAMO COCCOc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C ZINC000032831118 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Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000248330785 569057641 /nfs/dbraw/zinc/05/76/41/569057641.db2.gz GIOAWWPCSIQNBC-GSRZOBFVSA-N 1 1 419.456 2.874 50 0 HFAAMO COc1ccc(F)c(CN2CCC[C@@]3(CC[N@@H+](CCC(=O)NC(C)C)C3)C2=O)c1 ZINC000426430997 569072990 /nfs/dbraw/zinc/07/29/90/569072990.db2.gz GTJMMTQAKTVKTJ-QFIPXVFZSA-N 1 1 405.514 2.564 50 0 HFAAMO CCn1c2c(C(=O)NC3CCCC3)cnn2c(=O)c2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000064835902 569104500 /nfs/dbraw/zinc/10/45/00/569104500.db2.gz CFUFMBKEEQMMSS-UHFFFAOYSA-N 1 1 419.529 2.747 50 0 HFAAMO CCCC[N@@H+](C)CCCNC(=O)Cn1nc(CC)n2c3cc(C)sc3cc2c1=O ZINC000006749452 569109118 /nfs/dbraw/zinc/10/91/18/569109118.db2.gz DQPJYWFLGCSQSW-UHFFFAOYSA-N 1 1 417.579 2.820 50 0 HFAAMO O=C(COCc1ccccc1)N1CC[NH+]([C@H](C(=O)N2CCCC2)C2CCCC2)CC1 ZINC000036255785 569120305 /nfs/dbraw/zinc/12/03/05/569120305.db2.gz MPIWXKCNMSRTLE-QHCPKHFHSA-N 1 1 413.562 2.529 50 0 HFAAMO COc1ccc([C@H](CNS(=O)(=O)c2ccc(NC(C)=O)cc2)[NH+]2CCCC2)cc1 ZINC000006784484 569121040 /nfs/dbraw/zinc/12/10/40/569121040.db2.gz NCRZRRSWNRMTKT-NRFANRHFSA-N 1 1 417.531 2.769 50 0 HFAAMO COc1ccc(Cc2nc3ccc(C(=O)NCCC[NH+]4CCOCC4)cc3o2)cc1 ZINC000064968424 569137934 /nfs/dbraw/zinc/13/79/34/569137934.db2.gz HYASUOYPBSBIPM-UHFFFAOYSA-N 1 1 409.486 2.879 50 0 HFAAMO COc1ccc(C2=NN(C(=O)CN3CC[NH+](C)CC3)[C@H](c3cccc(F)c3)C2)cc1 ZINC000036344732 569142826 /nfs/dbraw/zinc/14/28/26/569142826.db2.gz YODNUETVUDMXBX-QFIPXVFZSA-N 1 1 410.493 2.759 50 0 HFAAMO O=C(CCc1c(-c2ccc(F)cc2)nc2ccccn21)NCCC[NH+]1CCOCC1 ZINC000065061064 569164972 /nfs/dbraw/zinc/16/49/72/569164972.db2.gz CEIAVOUJAUEIPB-UHFFFAOYSA-N 1 1 410.493 2.912 50 0 HFAAMO CC[N@@H+](CCNC(=O)Cn1ncc2c3ccccc3[nH]c2c1=O)Cc1ccccc1 ZINC000006937540 569185174 /nfs/dbraw/zinc/18/51/74/569185174.db2.gz INOMWPQUDQMBPJ-UHFFFAOYSA-N 1 1 403.486 2.516 50 0 HFAAMO C[C@H]1CCC[N@H+](Cc2nc(Cn3ccn4nc(-c5ccc(F)cc5)cc4c3=O)no2)C1 ZINC000065235904 569202590 /nfs/dbraw/zinc/20/25/90/569202590.db2.gz OHKHKNQYKYUPGC-HNNXBMFYSA-N 1 1 422.464 2.965 50 0 HFAAMO C[C@H]1CCC[N@@H+](Cc2nc(Cn3ccn4nc(-c5ccc(F)cc5)cc4c3=O)no2)C1 ZINC000065235904 569202591 /nfs/dbraw/zinc/20/25/91/569202591.db2.gz OHKHKNQYKYUPGC-HNNXBMFYSA-N 1 1 422.464 2.965 50 0 HFAAMO COc1ccc(-c2cc(C(=O)N3CC[N@H+]4CCC[C@H]4C3)c3c(C)nn(C)c3n2)cc1 ZINC000036613549 569209327 /nfs/dbraw/zinc/20/93/27/569209327.db2.gz OPXAMQYBALOPSN-KRWDZBQOSA-N 1 1 405.502 2.873 50 0 HFAAMO CCOC(=O)C(=O)N[C@@H](C)[C@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000036657851 569216842 /nfs/dbraw/zinc/21/68/42/569216842.db2.gz OKBAOIBYMZERLM-QFBILLFUSA-N 1 1 401.532 2.679 50 0 HFAAMO COC(=O)c1c(C)nsc1NC(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000065564706 569234205 /nfs/dbraw/zinc/23/42/05/569234205.db2.gz XCLWVEZVRPPVTO-BETUJISGSA-N 1 1 410.540 2.591 50 0 HFAAMO CCCn1c(C[N@H+]2CCCC[C@H](COC)C2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000170597087 569241987 /nfs/dbraw/zinc/24/19/87/569241987.db2.gz PYIFVKHWSPMNQD-KRWDZBQOSA-N 1 1 422.595 2.945 50 0 HFAAMO C[C@H](CC(C)(C)c1ccccc1)NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000089894796 569267837 /nfs/dbraw/zinc/26/78/37/569267837.db2.gz FKCNPYGILXNJTE-CTNGQTDRSA-N 1 1 415.578 2.572 50 0 HFAAMO COc1ccc(/C=C/C(=O)OCC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000014858039 569285085 /nfs/dbraw/zinc/28/50/85/569285085.db2.gz WLRNKANCKYSJPZ-PKNBQFBNSA-N 1 1 424.497 2.605 50 0 HFAAMO Cc1cc(NC(=O)CSCC(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)no1 ZINC000027346323 569294021 /nfs/dbraw/zinc/29/40/21/569294021.db2.gz FTEJVZWQDDODEO-OAHLLOKOSA-N 1 1 410.927 2.727 50 0 HFAAMO Cc1cccc(-n2nnnc2SCC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000007687064 569300736 /nfs/dbraw/zinc/30/07/36/569300736.db2.gz XVDPHSLJWGUGTO-IBGZPJMESA-N 1 1 422.558 2.762 50 0 HFAAMO CNc1nc(N2CCC(CC(=O)N3CCN(c4ccccc4C)CC3)CC2)cc[nH+]1 ZINC000065282060 569364128 /nfs/dbraw/zinc/36/41/28/569364128.db2.gz SISMYCMPCGYKIG-UHFFFAOYSA-N 1 1 408.550 2.782 50 0 HFAAMO Cc1c(Br)c(C(F)(F)F)nn1[C@H](C)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000054969016 569372262 /nfs/dbraw/zinc/37/22/62/569372262.db2.gz BOYGSTOYJMINRC-GHMZBOCLSA-N 1 1 409.250 2.840 50 0 HFAAMO Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000002453941 569406566 /nfs/dbraw/zinc/40/65/66/569406566.db2.gz QDMNMWPJLHBOTO-YDLHNXBPSA-N 1 1 419.456 2.874 50 0 HFAAMO CCc1ccccc1N1C[C@@H](C(=O)N(C)CCC[N@@H+](C)Cc2ccncc2)CC1=O ZINC000328591870 569415145 /nfs/dbraw/zinc/41/51/45/569415145.db2.gz ASOWYCJVOJHQLX-NRFANRHFSA-N 1 1 408.546 2.977 50 0 HFAAMO COc1ccc(C(=O)NCC2(N3CCCCC3)CC[NH+](C)CC2)cc1OC(F)F ZINC000078877768 569421263 /nfs/dbraw/zinc/42/12/63/569421263.db2.gz CIUGTIDVPXVOHN-UHFFFAOYSA-N 1 1 411.493 2.977 50 0 HFAAMO O=C(c1ccc2c(c1)C(=O)N(C1CC1)C2=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000079049348 569425480 /nfs/dbraw/zinc/42/54/80/569425480.db2.gz JLOXQGMEOTWIML-KDURUIRLSA-N 1 1 415.493 2.649 50 0 HFAAMO CCC[N@@H+]1CCc2nc(SCC(=O)Nc3ccc(NC(C)=O)cc3)[nH]c(=O)c2C1 ZINC000067291899 571068321 /nfs/dbraw/zinc/06/83/21/571068321.db2.gz YKMZZSAANMPJMZ-UHFFFAOYSA-N 1 1 415.519 2.640 50 0 HFAAMO CCC[N@H+]1CCc2nc(SCC(=O)Nc3ccc(NC(C)=O)cc3)[nH]c(=O)c2C1 ZINC000067291899 571068323 /nfs/dbraw/zinc/06/83/23/571068323.db2.gz YKMZZSAANMPJMZ-UHFFFAOYSA-N 1 1 415.519 2.640 50 0 HFAAMO Cc1ccccc1N1C(=O)C[C@@H]([NH+]2CCC(n3nnc(-c4cccs4)n3)CC2)C1=O ZINC000008694539 571102198 /nfs/dbraw/zinc/10/21/98/571102198.db2.gz ZKYOKAHZFHGYDJ-QGZVFWFLSA-N 1 1 422.514 2.679 50 0 HFAAMO O=C(C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1)N1CCN(c2ncccn2)CC1 ZINC000008709261 571104388 /nfs/dbraw/zinc/10/43/88/571104388.db2.gz WLUYEJMMZJIOOH-KRWDZBQOSA-N 1 1 422.558 2.615 50 0 HFAAMO C[N@@H+]1CCN(C(=O)C[C@H](NC(N)=O)c2ccc(Cl)cc2)[C@@H](c2ccccc2)C1 ZINC000040012998 571138325 /nfs/dbraw/zinc/13/83/25/571138325.db2.gz HCKYPAXWOZPWRV-RBUKOAKNSA-N 1 1 400.910 2.955 50 0 HFAAMO C[N@H+]1CCN(C(=O)C[C@H](NC(N)=O)c2ccc(Cl)cc2)[C@@H](c2ccccc2)C1 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C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CCN(c3ccccc3F)CC2)CC1 ZINC000012606248 132364963 /nfs/dbraw/zinc/36/49/63/132364963.db2.gz SMTGJKUDTUIMEF-FQEVSTJZSA-N 1 1 410.537 2.853 50 0 HFAAMO CC(=O)c1cccc(C[N@@H+]2CC[C@@H](N3CCN(c4ccccc4F)CC3)[C@H](O)C2)c1 ZINC000020539995 518421009 /nfs/dbraw/zinc/42/10/09/518421009.db2.gz ZUAYFHKYNQYLRI-DNQXCXABSA-N 1 1 411.521 2.786 50 0 HFAAMO CC(=O)c1cccc(C[N@H+]2CC[C@@H](N3CCN(c4ccccc4F)CC3)[C@H](O)C2)c1 ZINC000020539995 518421013 /nfs/dbraw/zinc/42/10/13/518421013.db2.gz ZUAYFHKYNQYLRI-DNQXCXABSA-N 1 1 411.521 2.786 50 0 HFAAMO COc1cc(F)c(S(=O)(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cc1OC ZINC000045797598 522582281 /nfs/dbraw/zinc/58/22/81/522582281.db2.gz WCHLLWIFQISXCG-HNNXBMFYSA-N 1 1 400.447 2.563 50 0 HFAAMO COc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NC(=O)CC[NH+]2CCOCC2)cc1 ZINC000019838305 523352591 /nfs/dbraw/zinc/35/25/91/523352591.db2.gz PUKMGLFIKGTNFQ-FQEVSTJZSA-N 1 1 412.534 2.733 50 0 HFAAMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)CCn3nnc4ccccc4c3=O)cc2)C1 ZINC000032930092 524234035 /nfs/dbraw/zinc/23/40/35/524234035.db2.gz OEMRZLKDYJPYKX-GOSISDBHSA-N 1 1 419.529 2.730 50 0 HFAAMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)c1ccc(OC2CCCC2)cc1 ZINC000032334357 527667937 /nfs/dbraw/zinc/66/79/37/527667937.db2.gz SLVOTGUJXVUOGH-UHFFFAOYSA-N 1 1 409.534 2.740 50 0 HFAAMO O=C(NCCC[NH+]1CCOCC1)C(=O)Nc1c2ccccc2[nH]c1-c1ccccc1 ZINC000020592321 527670011 /nfs/dbraw/zinc/67/00/11/527670011.db2.gz CWQOKTPBZYCGBB-UHFFFAOYSA-N 1 1 406.486 2.612 50 0 HFAAMO Cc1ccc(C[N@@H+]2CCO[C@H](CN3CCN(C(=O)c4ccc(C)cc4)CC3)C2)cc1 ZINC000034691725 557372270 /nfs/dbraw/zinc/37/22/70/557372270.db2.gz CRHFAKUWCZVYKX-XMMPIXPASA-N 1 1 407.558 2.962 50 0 HFAAMO Cc1ccc(C[N@H+]2CCO[C@H](CN3CCN(C(=O)c4ccc(C)cc4)CC3)C2)cc1 ZINC000034691725 557372275 /nfs/dbraw/zinc/37/22/75/557372275.db2.gz CRHFAKUWCZVYKX-XMMPIXPASA-N 1 1 407.558 2.962 50 0 HFAAMO COCCN(C[C@H]1C[N@@H+](Cc2ccccn2)C[C@@H]1c1cccc(F)c1)C(=O)COC ZINC000034740561 557444173 /nfs/dbraw/zinc/44/41/73/557444173.db2.gz KICQHJRPWYLXFG-DENIHFKCSA-N 1 1 415.509 2.558 50 0 HFAAMO Cc1ccc(N(Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)S(C)(=O)=O)cc1C ZINC000005008401 557624955 /nfs/dbraw/zinc/62/49/55/557624955.db2.gz IUJBGEOAJGGKFO-UHFFFAOYSA-N 1 1 415.559 2.657 50 0 HFAAMO C[C@H](NC(=O)CN1CCC[N@H+](CC(=O)NC(C)(C)C)CC1)c1cc2ccccc2o1 ZINC000022812247 557829366 /nfs/dbraw/zinc/82/93/66/557829366.db2.gz KCUPIAXOZZPGRN-KRWDZBQOSA-N 1 1 414.550 2.532 50 0 HFAAMO C[C@H](NC(=O)CN1CCC[N@@H+](CC(=O)NC(C)(C)C)CC1)c1cc2ccccc2o1 ZINC000022812247 557829368 /nfs/dbraw/zinc/82/93/68/557829368.db2.gz KCUPIAXOZZPGRN-KRWDZBQOSA-N 1 1 414.550 2.532 50 0 HFAAMO COc1ccc2c(c1)O[C@H](C)C[N@@H+](CCNC(=O)CCn1cnc3ccccc31)C2 ZINC000011790658 558277364 /nfs/dbraw/zinc/27/73/64/558277364.db2.gz NMXSAZISQVNKON-QGZVFWFLSA-N 1 1 408.502 2.834 50 0 HFAAMO COc1ccc2c(c1)O[C@H](C)C[N@H+](CCNC(=O)CCn1cnc3ccccc31)C2 ZINC000011790658 558277367 /nfs/dbraw/zinc/27/73/67/558277367.db2.gz NMXSAZISQVNKON-QGZVFWFLSA-N 1 1 408.502 2.834 50 0 HFAAMO CCOC(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3nc(Cc4ccccc4)no3)CC2)C1 ZINC000011814145 558278512 /nfs/dbraw/zinc/27/85/12/558278512.db2.gz NLLMFFJKDJTPDX-LJQANCHMSA-N 1 1 412.534 2.900 50 0 HFAAMO COc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)CC[NH+]2CCOCC2)cc1 ZINC000019838307 558293476 /nfs/dbraw/zinc/29/34/76/558293476.db2.gz PUKMGLFIKGTNFQ-HXUWFJFHSA-N 1 1 412.534 2.733 50 0 HFAAMO CCN(Cc1ccncc1)Cc1ccccc1OC[C@@H](O)C[NH+]1CCSCC1 ZINC000011936839 558300763 /nfs/dbraw/zinc/30/07/63/558300763.db2.gz MUUAUYBXLYIADO-NRFANRHFSA-N 1 1 401.576 2.892 50 0 HFAAMO COc1ccccc1-n1cc(C(=O)NCC[N@H+]2Cc3ccccc3O[C@H](C)C2)cn1 ZINC000011981899 558306123 /nfs/dbraw/zinc/30/61/23/558306123.db2.gz WEVMJNIHKZQFSX-QGZVFWFLSA-N 1 1 406.486 2.894 50 0 HFAAMO COc1ccccc1-n1cc(C(=O)NCC[N@@H+]2Cc3ccccc3O[C@H](C)C2)cn1 ZINC000011981899 558306126 /nfs/dbraw/zinc/30/61/26/558306126.db2.gz WEVMJNIHKZQFSX-QGZVFWFLSA-N 1 1 406.486 2.894 50 0 HFAAMO Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1CC(=O)N1CC[NH+](C)CC1 ZINC000019928947 558309061 /nfs/dbraw/zinc/30/90/61/558309061.db2.gz LUVSBBNCRPOTOA-HSZRJFAPSA-N 1 1 402.498 2.796 50 0 HFAAMO COc1ccccc1/C=C/C[N@@H+]1CCc2nnc([C@@H](C)NC(=O)c3ccco3)n2CC1 ZINC000012034247 558311558 /nfs/dbraw/zinc/31/15/58/558311558.db2.gz INOZSPCKTNVZEK-ZGRWHYIRSA-N 1 1 421.501 2.942 50 0 HFAAMO COc1ccc(C)cc1Nc1nc(N)nc(CN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000019944423 558314572 /nfs/dbraw/zinc/31/45/72/558314572.db2.gz FDEXOPWEEWLHFO-UHFFFAOYSA-N 1 1 419.533 2.832 50 0 HFAAMO C[N@H+](CCC1CCOCC1)Cc1ccccc1OC[C@@H](O)CN1CCSCC1 ZINC000012092367 558324529 /nfs/dbraw/zinc/32/45/29/558324529.db2.gz CVDFPDBWJMDWRC-NRFANRHFSA-N 1 1 408.608 2.724 50 0 HFAAMO C[N@@H+](CCC1CCOCC1)Cc1ccccc1OC[C@@H](O)CN1CCSCC1 ZINC000012092367 558324530 /nfs/dbraw/zinc/32/45/30/558324530.db2.gz CVDFPDBWJMDWRC-NRFANRHFSA-N 1 1 408.608 2.724 50 0 HFAAMO CC(C)[C@@H](NC(=O)[C@H]1CCOC1)c1nnc2n1CC[N@H+](CC1CCCCC1)CC2 ZINC000012162030 558341936 /nfs/dbraw/zinc/34/19/36/558341936.db2.gz IFECHVVGWVEMHH-AZUAARDMSA-N 1 1 403.571 2.566 50 0 HFAAMO O=C(c1cc(COc2cccc3cnccc32)on1)N1CCC([NH+]2CCOCC2)CC1 ZINC000020208474 558347070 /nfs/dbraw/zinc/34/70/70/558347070.db2.gz GODDYYKGDKSXTM-UHFFFAOYSA-N 1 1 422.485 2.739 50 0 HFAAMO COC(=O)c1ccc(CNC(=O)CC[N@@H+]2Cc3ccc(OC)cc3O[C@@H](C)C2)cc1 ZINC000012244475 558361034 /nfs/dbraw/zinc/36/10/34/558361034.db2.gz ZQVHQAFQZKFSJU-INIZCTEOSA-N 1 1 412.486 2.771 50 0 HFAAMO C[C@H](NC(=O)COc1ccccc1)c1nnc2n1CC[N@H+](Cc1cccc(F)c1)CC2 ZINC000012281687 558365357 /nfs/dbraw/zinc/36/53/57/558365357.db2.gz GRPNJVCIBWRNRW-KRWDZBQOSA-N 1 1 423.492 2.732 50 0 HFAAMO CCOC(=O)N1CCC([N@H+]2CCC[C@@H](N3CCN(c4ccccc4)CC3)C2)CC1 ZINC000020451844 558366108 /nfs/dbraw/zinc/36/61/08/558366108.db2.gz APVNAFDMDKFNST-JOCHJYFZSA-N 1 1 400.567 2.894 50 0 HFAAMO Cc1ccc2n[nH]c(C(=O)N3CCC([NH+]4CCC(C(=O)NC(C)C)CC4)CC3)c2c1 ZINC000012300097 558370094 /nfs/dbraw/zinc/37/00/94/558370094.db2.gz HACBSPOOSCCHBC-UHFFFAOYSA-N 1 1 411.550 2.713 50 0 HFAAMO COCCNC(=O)c1cccc(OC2CC[NH+](Cc3c(C)nn(C)c3Cl)CC2)c1 ZINC000012315209 558378644 /nfs/dbraw/zinc/37/86/44/558378644.db2.gz IJUOTAIJZRBJDC-UHFFFAOYSA-N 1 1 420.941 2.802 50 0 HFAAMO CN(CCc1ccccc1)C(=O)c1nc2sccn2c1C[N@@H+]1CCC[C@H](CO)C1 ZINC000012317801 558381009 /nfs/dbraw/zinc/38/10/09/558381009.db2.gz NXBQPOFDKSGWOR-SFHVURJKSA-N 1 1 412.559 2.915 50 0 HFAAMO CN(CCc1ccccc1)C(=O)c1nc2sccn2c1C[N@H+]1CCC[C@H](CO)C1 ZINC000012317801 558381013 /nfs/dbraw/zinc/38/10/13/558381013.db2.gz NXBQPOFDKSGWOR-SFHVURJKSA-N 1 1 412.559 2.915 50 0 HFAAMO CCN1CC[NH+](CCc2nc3cc(NC(=O)COc4ccccc4)ccc3n2C)CC1 ZINC000020503515 558381424 /nfs/dbraw/zinc/38/14/24/558381424.db2.gz ZGQGCOOIMCWOEU-UHFFFAOYSA-N 1 1 421.545 2.771 50 0 HFAAMO COc1cc(-c2nc(CN3CCC([N@H+]4CCNC(=O)CC4)CC3)c(C)o2)ccc1F ZINC000020706506 558400617 /nfs/dbraw/zinc/40/06/17/558400617.db2.gz LTPAPZHIXJPAAU-UHFFFAOYSA-N 1 1 416.497 2.584 50 0 HFAAMO C[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)CCc1nnc(-c2ccc3c(c2)OCO3)o1 ZINC000020906906 558421030 /nfs/dbraw/zinc/42/10/30/558421030.db2.gz GVNZYZXYYPWRPG-GOSISDBHSA-N 1 1 420.469 2.571 50 0 HFAAMO COc1cc(CN2CC[N@H+](Cc3ccc(F)cc3)[C@@H](CCO)C2)cc(OC)c1OC ZINC000020915794 558422757 /nfs/dbraw/zinc/42/27/57/558422757.db2.gz TWHJOGFASHVQKT-FQEVSTJZSA-N 1 1 418.509 2.920 50 0 HFAAMO COc1cc(CN2CC[N@@H+](Cc3ccc(F)cc3)[C@@H](CCO)C2)cc(OC)c1OC ZINC000020915794 558422759 /nfs/dbraw/zinc/42/27/59/558422759.db2.gz TWHJOGFASHVQKT-FQEVSTJZSA-N 1 1 418.509 2.920 50 0 HFAAMO CN(C[C@H]1CCC[N@@H+](CCc2ccccc2F)C1)C(=O)CCCN1CCCC1=O ZINC000012481168 558423504 /nfs/dbraw/zinc/42/35/04/558423504.db2.gz WZPLMKDDDWOFSV-LJQANCHMSA-N 1 1 403.542 2.941 50 0 HFAAMO CCc1ccc(C[N@@H+]2CCc3nnc([C@H](C)NC(=O)C4CCOCC4)n3CC2)cc1 ZINC000020998275 558427270 /nfs/dbraw/zinc/42/72/70/558427270.db2.gz XZIKZCNVXBNGNH-KRWDZBQOSA-N 1 1 411.550 2.503 50 0 HFAAMO O=C(c1nc2ccccn2c1C[N@@H+]1CCCC[C@@H]1c1cccnc1)N1CCOCC1 ZINC000020999351 558427888 /nfs/dbraw/zinc/42/78/88/558427888.db2.gz ATPQNZDDHLPKKX-LJQANCHMSA-N 1 1 405.502 2.929 50 0 HFAAMO O=C(c1nc2ccccn2c1C[N@H+]1CCCC[C@@H]1c1cccnc1)N1CCOCC1 ZINC000020999351 558427891 /nfs/dbraw/zinc/42/78/91/558427891.db2.gz ATPQNZDDHLPKKX-LJQANCHMSA-N 1 1 405.502 2.929 50 0 HFAAMO Cc1ccccc1C[NH+]1CCN(C(=O)CCNC(=O)c2ccc(F)cc2F)CC1 ZINC000021381777 558437733 /nfs/dbraw/zinc/43/77/33/558437733.db2.gz AQWYGXHKNJSKAF-UHFFFAOYSA-N 1 1 401.457 2.738 50 0 HFAAMO CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)c2ccnc(Cl)c2)CC1 ZINC000012710667 558452267 /nfs/dbraw/zinc/45/22/67/558452267.db2.gz KNEROWNZFXBVPQ-SFHVURJKSA-N 1 1 406.958 2.968 50 0 HFAAMO OCC[NH+]1CCN(C[C@H](O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CC1 ZINC000022446589 558489960 /nfs/dbraw/zinc/48/99/60/558489960.db2.gz NNICULATGKYIKY-RZTYHALVSA-N 1 1 414.590 2.504 50 0 HFAAMO OCCN1CC[NH+](C[C@H](O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CC1 ZINC000022446589 558489964 /nfs/dbraw/zinc/48/99/64/558489964.db2.gz NNICULATGKYIKY-RZTYHALVSA-N 1 1 414.590 2.504 50 0 HFAAMO C[C@@H]1Sc2ccc(C(=O)NCC3([NH+]4CCOCC4)CCCCC3)cc2NC1=O ZINC000022754293 558507849 /nfs/dbraw/zinc/50/78/49/558507849.db2.gz XCPCRQQTLXIWNN-HNNXBMFYSA-N 1 1 403.548 2.884 50 0 HFAAMO COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000013057195 558508965 /nfs/dbraw/zinc/50/89/65/558508965.db2.gz XRAMSQMYPYSEQZ-CALCHBBNSA-N 1 1 423.579 2.786 50 0 HFAAMO COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000013057195 558508966 /nfs/dbraw/zinc/50/89/66/558508966.db2.gz XRAMSQMYPYSEQZ-CALCHBBNSA-N 1 1 423.579 2.786 50 0 HFAAMO COc1ccc2c(c1OC)[C@H]([C@@H]1c3c(cc4c(c3OC)OCO4)CC[N@H+]1C)OC2=O ZINC000013139078 558521679 /nfs/dbraw/zinc/52/16/79/558521679.db2.gz IBCXQWACMNKPCL-FXAWDEMLSA-N 1 1 413.426 2.882 50 0 HFAAMO COc1ccc2c(c1OC)[C@H]([C@@H]1c3c(cc4c(c3OC)OCO4)CC[N@@H+]1C)OC2=O ZINC000013139078 558521681 /nfs/dbraw/zinc/52/16/81/558521681.db2.gz IBCXQWACMNKPCL-FXAWDEMLSA-N 1 1 413.426 2.882 50 0 HFAAMO O=C(CC[NH+]1CCN(CC(=O)Nc2cccc(F)c2)CC1)Nc1ccc(F)c(F)c1 ZINC000022934098 558525822 /nfs/dbraw/zinc/52/58/22/558525822.db2.gz LJBDQICUMOOEJT-UHFFFAOYSA-N 1 1 420.435 2.689 50 0 HFAAMO COc1cc(NC(=O)[C@H](C)N2CC[NH+](CCOc3ccccc3)CC2)cc(OC)c1 ZINC000023333885 558549745 /nfs/dbraw/zinc/54/97/45/558549745.db2.gz ZAQKNRHCCIOOAN-SFHVURJKSA-N 1 1 413.518 2.727 50 0 HFAAMO O=C(c1ccsc1)N1CCC[C@@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000023373745 558553754 /nfs/dbraw/zinc/55/37/54/558553754.db2.gz PREWLNXLYWUWHX-LJQANCHMSA-N 1 1 413.543 2.899 50 0 HFAAMO CCN(c1ccccc1)S(=O)(=O)c1ccc(NCC(C)(C)[NH+]2CCOCC2)nc1 ZINC000023819343 558577064 /nfs/dbraw/zinc/57/70/64/558577064.db2.gz DWEKZRZIYATRQB-UHFFFAOYSA-N 1 1 418.563 2.820 50 0 HFAAMO CCOc1ccccc1N1CCN(C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)CC1 ZINC000026304394 558658830 /nfs/dbraw/zinc/65/88/30/558658830.db2.gz WNNSKWQOTYEPSU-HXUWFJFHSA-N 1 1 418.582 2.664 50 0 HFAAMO O=C(NC1CC1)[C@@H]1C[C@H](CN2CCOCC2)C[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000014743951 558668082 /nfs/dbraw/zinc/66/80/82/558668082.db2.gz PLFXVWHQVHSICW-NFBKMPQASA-N 1 1 407.558 2.889 50 0 HFAAMO COc1ccccc1-c1ccnc(-n2ncc(C(=O)N3CC[NH+](C(C)C)CC3)c2C)n1 ZINC000014960358 558683934 /nfs/dbraw/zinc/68/39/34/558683934.db2.gz MVDBOLCNERELPW-UHFFFAOYSA-N 1 1 420.517 2.813 50 0 HFAAMO Cn1c(CCNC(=O)[C@@H]2CCCC[N@H+]2C)nnc1SCc1cccc(Cl)c1 ZINC000014964073 558685187 /nfs/dbraw/zinc/68/51/87/558685187.db2.gz CLCASGKNVONIDN-INIZCTEOSA-N 1 1 407.971 2.904 50 0 HFAAMO COCc1ccc(C(=O)NCc2nnc3n2CC[N@H+](Cc2cc(C)cc(C)c2)CC3)o1 ZINC000014990276 558694078 /nfs/dbraw/zinc/69/40/78/558694078.db2.gz YHCZFRFMNTUNTD-UHFFFAOYSA-N 1 1 423.517 2.623 50 0 HFAAMO CCOC(=O)CN(C)Cc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000015062291 558705272 /nfs/dbraw/zinc/70/52/72/558705272.db2.gz WCXNCKLAWLULFZ-NRFANRHFSA-N 1 1 400.519 2.553 50 0 HFAAMO COc1cc(C[NH2+]C(C2CC2)C2CC2)ccc1OC[C@H](O)CN1CCSCC1 ZINC000015064423 558707274 /nfs/dbraw/zinc/70/72/74/558707274.db2.gz ZPQLWKUUBMSLAX-LJQANCHMSA-N 1 1 406.592 2.762 50 0 HFAAMO CCOC(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2ccc(OC)cc2OC)CC1 ZINC000015366828 558736324 /nfs/dbraw/zinc/73/63/24/558736324.db2.gz CGHGDYMPDLSHPC-IBGZPJMESA-N 1 1 404.507 2.642 50 0 HFAAMO CCOC(=O)C1CCN(C(=O)C[N@H+]2CCC[C@H]2c2ccc(OC)cc2OC)CC1 ZINC000015366828 558736325 /nfs/dbraw/zinc/73/63/25/558736325.db2.gz CGHGDYMPDLSHPC-IBGZPJMESA-N 1 1 404.507 2.642 50 0 HFAAMO COc1ccc(-c2cc3nc(C)cc(NCCC[NH+]4CCOCC4)n3n2)cc1OC ZINC000015670894 558748337 /nfs/dbraw/zinc/74/83/37/558748337.db2.gz PEGYBBHOHIETSB-UHFFFAOYSA-N 1 1 411.506 2.856 50 0 HFAAMO Cc1cccc(NC(=O)[C@H](C)N(C)CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000016341418 558786855 /nfs/dbraw/zinc/78/68/55/558786855.db2.gz AYVDMOHTSOGZMJ-FQEVSTJZSA-N 1 1 408.546 2.598 50 0 HFAAMO CCOc1ccc(N2C(=O)C[C@@H]([N@H+](C)CCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000018250490 558834776 /nfs/dbraw/zinc/83/47/76/558834776.db2.gz PXYSFNAOMMSAPS-LJQANCHMSA-N 1 1 412.486 2.909 50 0 HFAAMO CCOc1ccc(N2C(=O)C[C@@H]([N@@H+](C)CCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000018250490 558834778 /nfs/dbraw/zinc/83/47/78/558834778.db2.gz PXYSFNAOMMSAPS-LJQANCHMSA-N 1 1 412.486 2.909 50 0 HFAAMO CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(-c3nc(-c4cccnc4)cc(=O)[nH]3)cc2)C1 ZINC000048276254 558843817 /nfs/dbraw/zinc/84/38/17/558843817.db2.gz VQGJKZJBDDDBGT-HXUWFJFHSA-N 1 1 403.486 2.552 50 0 HFAAMO CCOC(=O)C1=C(C[NH2+]Cc2ccc(C)cc2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000055227604 558876938 /nfs/dbraw/zinc/87/69/38/558876938.db2.gz IPQCJJCLFDQWDY-OAQYLSRUSA-N 1 1 409.486 2.965 50 0 HFAAMO CCC[NH+](CCC)CCNC(=O)c1sc2ncnc(N3CCN(C)CC3)c2c1C ZINC000033048231 558884590 /nfs/dbraw/zinc/88/45/90/558884590.db2.gz QPJORBKXKSNIHH-UHFFFAOYSA-N 1 1 418.611 2.603 50 0 HFAAMO COc1ccc(S(=O)(=O)NCc2ccccc2-n2cc[nH+]c2C)cc1NC(C)=O ZINC000057991011 558892657 /nfs/dbraw/zinc/89/26/57/558892657.db2.gz GTNDJIFCWKDYTB-UHFFFAOYSA-N 1 1 414.487 2.626 50 0 HFAAMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(Cl)c(OCC(N)=O)c(OC)c1 ZINC000058174755 558908958 /nfs/dbraw/zinc/90/89/58/558908958.db2.gz DXNRFZQYKOOXRV-OAHLLOKOSA-N 1 1 411.930 2.597 50 0 HFAAMO Cc1cccn2c(C[NH+]3CCC(O)CC3)c(C(=O)N(C)CCc3ccccc3)nc12 ZINC000071758872 558909844 /nfs/dbraw/zinc/90/98/44/558909844.db2.gz WDDUXTAKENQKLY-UHFFFAOYSA-N 1 1 406.530 2.914 50 0 HFAAMO Cc1ccc(S(=O)(=O)N2CCC(CC(=O)NCC[N@@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC000033254570 558918664 /nfs/dbraw/zinc/91/86/64/558918664.db2.gz RWVPLRGGDDTPFU-IBGZPJMESA-N 1 1 421.607 2.776 50 0 HFAAMO C/C(=C\c1ccco1)C[N@@H+]1CCc2nnc(CNC(=O)Cc3cccc(F)c3)n2CC1 ZINC000059314206 558933802 /nfs/dbraw/zinc/93/38/02/558933802.db2.gz NZRFJEKSCXNTNK-SFQUDFHCSA-N 1 1 423.492 2.831 50 0 HFAAMO COc1ccc(NC(=O)c2nnc(C(=O)NCC[N@@H+](C)C3CCCCC3)s2)cc1 ZINC000033060186 558954340 /nfs/dbraw/zinc/95/43/40/558954340.db2.gz UJUAZLUJSPDGLK-UHFFFAOYSA-N 1 1 417.535 2.793 50 0 HFAAMO O=C(NCCc1cnccn1)c1cc(C[NH+]2CCC(Cc3ccccc3)CC2)on1 ZINC000067772280 558992717 /nfs/dbraw/zinc/99/27/17/558992717.db2.gz ROAOTPXVVVAOLE-UHFFFAOYSA-N 1 1 405.502 2.892 50 0 HFAAMO CCN(C(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1)C1CCOCC1 ZINC000082106626 559038297 /nfs/dbraw/zinc/03/82/97/559038297.db2.gz VJIODIXCKHAQSS-OAQYLSRUSA-N 1 1 414.594 2.786 50 0 HFAAMO O=C([C@@H]1CCC[N@H+](C2CCN(c3nccc4ccccc43)CC2)C1)N1CCOCC1 ZINC000082109565 559038863 /nfs/dbraw/zinc/03/88/63/559038863.db2.gz PRBKFJXZIPTIEF-HXUWFJFHSA-N 1 1 408.546 2.774 50 0 HFAAMO CCN(CCOC)C(=O)[C@@H]1CCC[N@@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC000091602838 559072316 /nfs/dbraw/zinc/07/23/16/559072316.db2.gz AXPBCGOOVYSESQ-JOCHJYFZSA-N 1 1 413.606 2.825 50 0 HFAAMO CCN(CCOC)C(=O)[C@@H]1CCC[N@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC000091602838 559072317 /nfs/dbraw/zinc/07/23/17/559072317.db2.gz AXPBCGOOVYSESQ-JOCHJYFZSA-N 1 1 413.606 2.825 50 0 HFAAMO CCOc1ccccc1C[N@@H+]1CCN(Cc2ccc(O)c(OC)c2)C[C@@H]1CCO ZINC000095531250 559087095 /nfs/dbraw/zinc/08/70/95/559087095.db2.gz XPVIKRPLURZNEB-FQEVSTJZSA-N 1 1 400.519 2.868 50 0 HFAAMO CCOc1ccccc1C[N@H+]1CCN(Cc2ccc(O)c(OC)c2)C[C@@H]1CCO ZINC000095531250 559087096 /nfs/dbraw/zinc/08/70/96/559087096.db2.gz XPVIKRPLURZNEB-FQEVSTJZSA-N 1 1 400.519 2.868 50 0 HFAAMO NC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3cc4ccccc4o3)C[C@H]2c2ccco2)C1 ZINC000247707774 559113035 /nfs/dbraw/zinc/11/30/35/559113035.db2.gz GIAUZXRYCJMIFS-AEFFLSMTSA-N 1 1 420.469 2.901 50 0 HFAAMO NC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3cc4ccccc4o3)C[C@H]2c2ccco2)C1 ZINC000247707774 559113036 /nfs/dbraw/zinc/11/30/36/559113036.db2.gz GIAUZXRYCJMIFS-AEFFLSMTSA-N 1 1 420.469 2.901 50 0 HFAAMO Cc1nn(CC(=O)NCCC[N@H+](C)Cc2ccccc2)c(=O)c2cc3sccc3n21 ZINC000005108785 559246553 /nfs/dbraw/zinc/24/65/53/559246553.db2.gz UNSXPIIEUSISRD-UHFFFAOYSA-N 1 1 423.542 2.657 50 0 HFAAMO COc1cc2c(cc1OC)C[N@H+](Cc1c([O-])c(C[NH+]3CCCCC3)coc1=O)CC2 ZINC000100796558 559268158 /nfs/dbraw/zinc/26/81/58/559268158.db2.gz CEJFJOLERMJPRD-UHFFFAOYSA-N 1 1 414.502 2.907 50 0 biogenic HFAAMO COc1cc2c(cc1OC)C[N@@H+](Cc1c([O-])c(C[NH+]3CCCCC3)coc1=O)CC2 ZINC000100796558 559268159 /nfs/dbraw/zinc/26/81/59/559268159.db2.gz CEJFJOLERMJPRD-UHFFFAOYSA-N 1 1 414.502 2.907 50 0 biogenic HFAAMO O=S(=O)(NC[C@H](c1ccco1)[NH+]1CCCCCC1)c1ccc2c(c1)OCCO2 ZINC000011999595 559270518 /nfs/dbraw/zinc/27/05/18/559270518.db2.gz DGQAHQGCUGJORZ-QGZVFWFLSA-N 1 1 406.504 2.946 50 0 HFAAMO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2c2ccc(OC)cc2OC)C1 ZINC000248318249 559270575 /nfs/dbraw/zinc/27/05/75/559270575.db2.gz OELYAWOCRWTUDG-APWZRJJASA-N 1 1 404.507 2.642 50 0 HFAAMO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@H]2c2ccc(OC)cc2OC)C1 ZINC000248318249 559270577 /nfs/dbraw/zinc/27/05/77/559270577.db2.gz OELYAWOCRWTUDG-APWZRJJASA-N 1 1 404.507 2.642 50 0 HFAAMO C[N@@H+](CCNC(=O)N[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)Cc1ccccc1 ZINC000005201370 560537490 /nfs/dbraw/zinc/53/74/90/560537490.db2.gz YOHKIZKDEKYCOB-GOSISDBHSA-N 1 1 400.910 2.877 50 0 HFAAMO O=C1Nc2c(cccc2Cl)[C@@]12[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000101154203 560787152 /nfs/dbraw/zinc/78/71/52/560787152.db2.gz AETXDEKUQJECHY-DVSDUFGPSA-N 1 1 407.857 2.771 50 0 HFAAMO O=C1Nc2c(cccc2Cl)[C@@]12[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000101154203 560787153 /nfs/dbraw/zinc/78/71/53/560787153.db2.gz AETXDEKUQJECHY-DVSDUFGPSA-N 1 1 407.857 2.771 50 0 HFAAMO O=C(Nc1ccccc1O)C1CC[NH+]([C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1 ZINC000101490820 560795929 /nfs/dbraw/zinc/79/59/29/560795929.db2.gz ZLZXKOPBWKHOPR-SFHVURJKSA-N 1 1 411.433 2.514 50 0 HFAAMO Cc1ccc(-c2nc3[nH]c(C[NH+]4CCN(c5ccccc5)CC4)cc(=O)n3n2)cc1 ZINC000101496222 560796471 /nfs/dbraw/zinc/79/64/71/560796471.db2.gz BWIOJZCHZOPLNM-UHFFFAOYSA-N 1 1 400.486 2.715 50 0 HFAAMO COc1ccc([C@H](CNc2c(=O)c(=O)c2NCc2ccncc2)[NH+]2CCCC2)cc1 ZINC000101700285 560798402 /nfs/dbraw/zinc/79/84/02/560798402.db2.gz BGJWMZAVVQMZTC-IBGZPJMESA-N 1 1 406.486 2.547 50 0 HFAAMO CCOC(=O)c1c(NC(=O)C[N@@H+]2CCCC[C@@H]2CC(N)=O)sc2c1CC[C@H](C)C2 ZINC000110570765 560880162 /nfs/dbraw/zinc/88/01/62/560880162.db2.gz YWDGFNXCIAZBNC-UONOGXRCSA-N 1 1 421.563 2.718 50 0 HFAAMO CCOC(=O)c1c(NC(=O)C[N@H+]2CCCC[C@@H]2CC(N)=O)sc2c1CC[C@H](C)C2 ZINC000110570765 560880164 /nfs/dbraw/zinc/88/01/64/560880164.db2.gz YWDGFNXCIAZBNC-UONOGXRCSA-N 1 1 421.563 2.718 50 0 HFAAMO COc1ccc(NC(=O)Cn2c(C)nc3c(c2=O)CC[N@H+](Cc2ccccc2)C3)cc1 ZINC000012186307 560891038 /nfs/dbraw/zinc/89/10/38/560891038.db2.gz ZVKYAHHINKARGX-UHFFFAOYSA-N 1 1 418.497 2.757 50 0 HFAAMO COc1ccc(NC(=O)Cn2c(C)nc3c(c2=O)CC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000012186307 560891039 /nfs/dbraw/zinc/89/10/39/560891039.db2.gz ZVKYAHHINKARGX-UHFFFAOYSA-N 1 1 418.497 2.757 50 0 HFAAMO COc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)OCO3)[NH+](C)C)cc1Cl ZINC000012196684 560891594 /nfs/dbraw/zinc/89/15/94/560891594.db2.gz CFVDRBJHJIWCKR-HNNXBMFYSA-N 1 1 412.895 2.659 50 0 HFAAMO C[C@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC(C(=O)NCCc2ccccc2F)CC1 ZINC000047936328 568431620 /nfs/dbraw/zinc/43/16/20/568431620.db2.gz OJDZKQTWQZRQSJ-UWJYYQICSA-N 1 1 403.542 2.891 50 0 HFAAMO O=C1Nc2ccccc2[C@@]12[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000049662126 568452946 /nfs/dbraw/zinc/45/29/46/568452946.db2.gz CVVQTWPYZHAYIC-RQXXJAGISA-N 1 1 407.857 2.771 50 0 biogenic HFAAMO CCn1cc(CNCc2cccc(OC[C@@H](O)C[N@@H+]3CCc4ccccc4C3)c2)cn1 ZINC000012303641 568464838 /nfs/dbraw/zinc/46/48/38/568464838.db2.gz OIZXIMDHAYLGQN-DEOSSOPVSA-N 1 1 420.557 2.991 50 0 HFAAMO CCn1cc(CNCc2cccc(OC[C@@H](O)C[N@H+]3CCc4ccccc4C3)c2)cn1 ZINC000012303641 568464840 /nfs/dbraw/zinc/46/48/40/568464840.db2.gz OIZXIMDHAYLGQN-DEOSSOPVSA-N 1 1 420.557 2.991 50 0 HFAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)[nH]c(=S)n(-c1ccccc1)c2=O ZINC000020102458 568587902 /nfs/dbraw/zinc/58/79/02/568587902.db2.gz MWHLPOUNVFDHRF-KRWDZBQOSA-N 1 1 408.527 2.889 50 0 HFAAMO CC[N@@H+](CCC1CCN(C(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)CC1)CC1CC1 ZINC000095458126 568619010 /nfs/dbraw/zinc/61/90/10/568619010.db2.gz NOJRRNNJJAKIJB-OYRHEFFESA-N 1 1 417.594 2.912 50 0 HFAAMO Cc1ccccc1Cc1c(C)nc2c(C(=O)NCCC[NH+]3CCOCC3)cnn2c1C ZINC000020678032 568640056 /nfs/dbraw/zinc/64/00/56/568640056.db2.gz CGAZZGVEUJFORT-UHFFFAOYSA-N 1 1 421.545 2.697 50 0 HFAAMO Cc1ccc(C(C)C)c(OCc2nnc(SCCC[NH+]3CCN(C)CC3)n2N)c1 ZINC000225566893 568651851 /nfs/dbraw/zinc/65/18/51/568651851.db2.gz YLORFASPWKRNPM-UHFFFAOYSA-N 1 1 418.611 2.732 50 0 HFAAMO C[C@H]1C[NH+](C(C)(C)CNC(=O)c2ccc(I)cc2)C[C@H](C)O1 ZINC000021055055 568661214 /nfs/dbraw/zinc/66/12/14/568661214.db2.gz HRWRWWHKJJJIPM-STQMWFEESA-N 1 1 416.303 2.909 50 0 HFAAMO COc1cccc(NC(=O)CC[N@H+](C)[C@H](C(N)=O)c2cccc(Br)c2)c1 ZINC000095983638 568675899 /nfs/dbraw/zinc/67/58/99/568675899.db2.gz HCWXICFVDHSFIL-SFHVURJKSA-N 1 1 420.307 2.945 50 0 HFAAMO COc1cccc(NC(=O)CC[N@@H+](C)[C@H](C(N)=O)c2cccc(Br)c2)c1 ZINC000095983638 568675901 /nfs/dbraw/zinc/67/59/01/568675901.db2.gz HCWXICFVDHSFIL-SFHVURJKSA-N 1 1 420.307 2.945 50 0 HFAAMO CCCS(=O)(=O)NC1CC[NH+](CCc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000095987173 568676611 /nfs/dbraw/zinc/67/66/11/568676611.db2.gz DFCDSYXNSLDRPN-UHFFFAOYSA-N 1 1 416.971 2.838 50 0 HFAAMO CSc1ccc(S(=O)(=O)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1 ZINC000096006759 568682984 /nfs/dbraw/zinc/68/29/84/568682984.db2.gz ADUQLUNQTGAHBE-SFHVURJKSA-N 1 1 406.573 2.844 50 0 HFAAMO O=C(Nc1cccc(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)c1)NC1CC1 ZINC000096007055 568683237 /nfs/dbraw/zinc/68/32/37/568683237.db2.gz HVUTYLVYAQLACY-QFIPXVFZSA-N 1 1 422.529 2.857 50 0 HFAAMO Cc1cc(O)cc(=O)n1CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000096232247 568708175 /nfs/dbraw/zinc/70/81/75/568708175.db2.gz RVZQNYLXUBJHOE-UHFFFAOYSA-N 1 1 417.509 2.796 50 0 HFAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)CSCc1nc(-c2ccc(OC)c(OC)c2)no1 ZINC000021529690 568710027 /nfs/dbraw/zinc/71/00/27/568710027.db2.gz WUIZDWKPUQBTOA-OAHLLOKOSA-N 1 1 420.535 2.588 50 0 HFAAMO O=C(C[C@@H]1C(=O)NCC[N@H+]1CCCc1ccccc1)NCCc1ccccc1Cl ZINC000012438428 568722964 /nfs/dbraw/zinc/72/29/64/568722964.db2.gz LNCSPSGBYKTBQL-OAQYLSRUSA-N 1 1 413.949 2.822 50 0 HFAAMO O=C(C[C@@H]1C(=O)NCC[N@@H+]1CCCc1ccccc1)NCCc1ccccc1Cl ZINC000012438428 568722967 /nfs/dbraw/zinc/72/29/67/568722967.db2.gz LNCSPSGBYKTBQL-OAQYLSRUSA-N 1 1 413.949 2.822 50 0 HFAAMO O=C(/C=C\c1cccnc1)NCC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000096402585 568750320 /nfs/dbraw/zinc/75/03/20/568750320.db2.gz YVRJDCNKXANROB-TWGQIWQCSA-N 1 1 412.921 2.599 50 0 HFAAMO O=C(/C=C\c1cccnc1)NCC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000096402585 568750322 /nfs/dbraw/zinc/75/03/22/568750322.db2.gz YVRJDCNKXANROB-TWGQIWQCSA-N 1 1 412.921 2.599 50 0 HFAAMO Cc1ccc(-c2ccc(=O)n(CCC(=O)NCC[N@H+](C)Cc3ccccc3)n2)cc1 ZINC000002941336 568819435 /nfs/dbraw/zinc/81/94/35/568819435.db2.gz LZCCSYXKDWMZKP-UHFFFAOYSA-N 1 1 404.514 2.857 50 0 HFAAMO Cc1nc(-c2cccc(NC(=O)C3CC[NH+]([C@@H]4CCS(=O)(=O)C4)CC3)c2)cs1 ZINC000057347587 568827286 /nfs/dbraw/zinc/82/72/86/568827286.db2.gz CJQBRUMVHAJIPB-GOSISDBHSA-N 1 1 419.572 2.956 50 0 HFAAMO COc1cc([C@H]2NC(=[NH2+])Nc3nc4cc5c(cc4n32)OCCCO5)cc(Cl)c1O ZINC000012507032 568839447 /nfs/dbraw/zinc/83/94/47/568839447.db2.gz YYBJZIHQFPEDJH-KRWDZBQOSA-N 1 1 415.837 2.662 50 0 HFAAMO C[C@@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000057943321 568869576 /nfs/dbraw/zinc/86/95/76/568869576.db2.gz OEYGXSRVOBOFAJ-LJQANCHMSA-N 1 1 406.530 2.958 50 0 HFAAMO O=C(NCC[N@H+]1Cc2ccccc2O[C@H](c2ccsc2)C1)[C@@H]1CSC(=O)N1 ZINC000299788651 568875631 /nfs/dbraw/zinc/87/56/31/568875631.db2.gz YZQIKAFTPWWGKE-RDJZCZTQSA-N 1 1 403.529 2.625 50 0 HFAAMO O=C(NCC[N@@H+]1Cc2ccccc2O[C@H](c2ccsc2)C1)[C@@H]1CSC(=O)N1 ZINC000299788651 568875632 /nfs/dbraw/zinc/87/56/32/568875632.db2.gz YZQIKAFTPWWGKE-RDJZCZTQSA-N 1 1 403.529 2.625 50 0 HFAAMO O=C1CO[C@H](COc2ccc(F)cc2)CN1C1CC[NH+](Cc2cncs2)CC1 ZINC000299799655 568876436 /nfs/dbraw/zinc/87/64/36/568876436.db2.gz UHZMUWMDIUXPBL-SFHVURJKSA-N 1 1 405.495 2.553 50 0 HFAAMO COCC1CCN(S(=O)(=O)NCC[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000670444435 568903820 /nfs/dbraw/zinc/90/38/20/568903820.db2.gz YDMGDBWMCIRQCH-NRFANRHFSA-N 1 1 409.596 2.624 50 0 HFAAMO Cc1ccc2c(CN3CC[N@@H+](C)C[C@@H]3CNC(=O)OC(C)(C)C)cc(=O)oc2c1 ZINC000084208420 568944679 /nfs/dbraw/zinc/94/46/79/568944679.db2.gz OOKLFXWVTSLFRJ-KRWDZBQOSA-N 1 1 401.507 2.742 50 0 HFAAMO Cc1ccc2c(CN3CC[N@H+](C)C[C@@H]3CNC(=O)OC(C)(C)C)cc(=O)oc2c1 ZINC000084208420 568944681 /nfs/dbraw/zinc/94/46/81/568944681.db2.gz OOKLFXWVTSLFRJ-KRWDZBQOSA-N 1 1 401.507 2.742 50 0 HFAAMO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCC[N@@H+]3CCCC[C@H]3C)C2)cc1 ZINC000007991510 568967199 /nfs/dbraw/zinc/96/71/99/568967199.db2.gz RNZNIDGDOCXPQM-WOJBJXKFSA-N 1 1 421.607 2.776 50 0 HFAAMO CCCC[N@@H+](C)CCCNC(=O)[C@@H]1CCCN(c2nnc(-n3cccc3)s2)C1 ZINC000015728131 568978876 /nfs/dbraw/zinc/97/88/76/568978876.db2.gz OYZGIQSRWSEQHS-QGZVFWFLSA-N 1 1 404.584 2.783 50 0 HFAAMO CCOC(=O)c1ccc(OC[C@@H](O)C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)cc1 ZINC000008326920 568991900 /nfs/dbraw/zinc/99/19/00/568991900.db2.gz PDODOGKAPICNMG-IBGZPJMESA-N 1 1 415.486 2.679 50 0 HFAAMO CCOC(=O)c1ccc(OC[C@@H](O)C[N@H+]2CCc3cc(OC)c(OC)cc3C2)cc1 ZINC000008326920 568991903 /nfs/dbraw/zinc/99/19/03/568991903.db2.gz PDODOGKAPICNMG-IBGZPJMESA-N 1 1 415.486 2.679 50 0 HFAAMO COc1ccc(OCC[N@H+](C)CC(=O)Nc2cc(Cl)ccc2-n2cncn2)cc1 ZINC000008394389 568998863 /nfs/dbraw/zinc/99/88/63/568998863.db2.gz XHEFFIQQJHPXIY-UHFFFAOYSA-N 1 1 415.881 2.879 50 0 HFAAMO COc1ccc(OCC[N@@H+](C)CC(=O)Nc2cc(Cl)ccc2-n2cncn2)cc1 ZINC000008394389 568998865 /nfs/dbraw/zinc/99/88/65/568998865.db2.gz XHEFFIQQJHPXIY-UHFFFAOYSA-N 1 1 415.881 2.879 50 0 HFAAMO COc1ccc(-n2ccnc2CN2CC[N@H+](Cc3cccc(C)n3)[C@H](CCO)C2)cc1 ZINC000104294326 569008191 /nfs/dbraw/zinc/00/81/91/569008191.db2.gz QPCMOGNIPRZGQL-JOCHJYFZSA-N 1 1 421.545 2.653 50 0 HFAAMO COc1ccc(-n2ccnc2CN2CC[N@@H+](Cc3cccc(C)n3)[C@H](CCO)C2)cc1 ZINC000104294326 569008192 /nfs/dbraw/zinc/00/81/92/569008192.db2.gz QPCMOGNIPRZGQL-JOCHJYFZSA-N 1 1 421.545 2.653 50 0 HFAAMO COC(=O)c1ccc(C[N@@H+]2CCN(Cc3ccc(OC)cc3F)[C@H](CCO)C2)cc1 ZINC000104548021 569009088 /nfs/dbraw/zinc/00/90/88/569009088.db2.gz YPCUGQJLBKSGCM-HXUWFJFHSA-N 1 1 416.493 2.690 50 0 HFAAMO COC(=O)c1ccc(C[N@H+]2CCN(Cc3ccc(OC)cc3F)[C@H](CCO)C2)cc1 ZINC000104548021 569009089 /nfs/dbraw/zinc/00/90/89/569009089.db2.gz YPCUGQJLBKSGCM-HXUWFJFHSA-N 1 1 416.493 2.690 50 0 HFAAMO Cc1c(C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)sc2nc3n(c(=O)c12)CCC3 ZINC000085876033 569009515 /nfs/dbraw/zinc/00/95/15/569009515.db2.gz DEBQZEGGWDIEAL-LSDHHAIUSA-N 1 1 400.548 2.707 50 0 biogenic HFAAMO CN(CC(=O)NC1CC1)C(=O)C[NH+]1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000012916539 569022327 /nfs/dbraw/zinc/02/23/27/569022327.db2.gz LSVSFONBEHHALE-UHFFFAOYSA-N 1 1 420.966 2.866 50 0 HFAAMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000015954443 569024559 /nfs/dbraw/zinc/02/45/59/569024559.db2.gz AFSZZUJLALSTFP-PBQROFAYSA-N 1 1 415.493 2.730 50 0 biogenic HFAAMO COc1ccc(NC(=O)[C@@H](CCSC)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000016021481 569026138 /nfs/dbraw/zinc/02/61/38/569026138.db2.gz YJIZBJNZPNDMNC-WOJBJXKFSA-N 1 1 413.543 2.586 50 0 HFAAMO CNC(=O)c1ccc(C[N@H+](CC(=O)Nc2ccc3c(c2)CCN3C(C)=O)C2CC2)cc1 ZINC000013007620 569049773 /nfs/dbraw/zinc/04/97/73/569049773.db2.gz RAKVZECLKUKKEO-UHFFFAOYSA-N 1 1 420.513 2.558 50 0 HFAAMO CNC(=O)c1ccc(C[N@@H+](CC(=O)Nc2ccc3c(c2)CCN3C(C)=O)C2CC2)cc1 ZINC000013007620 569049774 /nfs/dbraw/zinc/04/97/74/569049774.db2.gz RAKVZECLKUKKEO-UHFFFAOYSA-N 1 1 420.513 2.558 50 0 HFAAMO Cc1ccccc1OC[C@H](O)C[N@H+](CCN1CCOCC1)Cc1ccc(F)cc1F ZINC000036104020 569092318 /nfs/dbraw/zinc/09/23/18/569092318.db2.gz XQMJXCGCTJCFGZ-OAQYLSRUSA-N 1 1 420.500 2.847 50 0 HFAAMO Cc1ccccc1OC[C@H](O)C[N@@H+](CCN1CCOCC1)Cc1ccc(F)cc1F ZINC000036104020 569092320 /nfs/dbraw/zinc/09/23/20/569092320.db2.gz XQMJXCGCTJCFGZ-OAQYLSRUSA-N 1 1 420.500 2.847 50 0 HFAAMO CCOC[C@@H](O)C[N@@H+](CCOC)Cc1c(-c2ccccc2)noc1N1CCCC1 ZINC000036249775 569119158 /nfs/dbraw/zinc/11/91/58/569119158.db2.gz NPBWTLNOUDVJPN-IBGZPJMESA-N 1 1 403.523 2.788 50 0 HFAAMO Cc1nc(C)c(Cc2ccccc2)c(N2CC[NH+](C[C@@H](O)COCC(C)C)CC2)n1 ZINC000036340421 569141678 /nfs/dbraw/zinc/14/16/78/569141678.db2.gz DWKCMYOZCCDFMB-JOCHJYFZSA-N 1 1 412.578 2.840 50 0 HFAAMO COc1ccc(C(OC[C@@H](O)C[NH2+]CCCN(C)C)c2ccc(OC)cc2)cc1 ZINC000006936621 569185115 /nfs/dbraw/zinc/18/51/15/569185115.db2.gz SUGBRHWHFZDEAO-FQEVSTJZSA-N 1 1 402.535 2.712 50 0 HFAAMO CCCC[NH+]1CCN(C(=O)c2cc3c(=O)n(CC(C)C)c4ccccc4n3n2)CC1 ZINC000065292386 569218185 /nfs/dbraw/zinc/21/81/85/569218185.db2.gz SMGCFSJHUYJULR-UHFFFAOYSA-N 1 1 409.534 2.863 50 0 HFAAMO CC[NH+](CC)CCc1ccc(NC(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)cc1 ZINC000170612073 569246419 /nfs/dbraw/zinc/24/64/19/569246419.db2.gz RNBNBKPHLZYHDQ-QFIPXVFZSA-N 1 1 403.615 2.964 50 0 HFAAMO CC[C@@H]1CN(C(=O)Nc2ccc(OC)c(N3CCCCC3=O)c2)CC[N@H+]1C[C@@H](C)O ZINC000089949209 569269794 /nfs/dbraw/zinc/26/97/94/569269794.db2.gz HDSOXDPYPAULHB-SJLPKXTDSA-N 1 1 418.538 2.521 50 0 HFAAMO COc1cc2c(cc1OC)-c1n[nH]c(C(=O)NC[C@H]3CCC[N@H+]4CCCC[C@@H]34)c1C2 ZINC000252570386 569294257 /nfs/dbraw/zinc/29/42/57/569294257.db2.gz WPRZBWYTAKIREU-KDOFPFPSSA-N 1 1 410.518 2.992 50 0 HFAAMO COc1cc2c(cc1OC)-c1n[nH]c(C(=O)NC[C@H]3CCC[N@H+]4CCCC[C@H]34)c1C2 ZINC000252570388 569294316 /nfs/dbraw/zinc/29/43/16/569294316.db2.gz WPRZBWYTAKIREU-RDTXWAMCSA-N 1 1 410.518 2.992 50 0 HFAAMO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+](C)CC(=O)N2CCOCC2)cc1 ZINC000007607717 569295251 /nfs/dbraw/zinc/29/52/51/569295251.db2.gz COQKRGSVTMFUGS-UHFFFAOYSA-N 1 1 420.513 2.839 50 0 HFAAMO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+](C)CC(=O)N2CCOCC2)cc1 ZINC000007607717 569295253 /nfs/dbraw/zinc/29/52/53/569295253.db2.gz COQKRGSVTMFUGS-UHFFFAOYSA-N 1 1 420.513 2.839 50 0 HFAAMO C[C@@H]1C[C@@](O)([Si](c2ccccc2)(c2ccccc2)c2ccccc2)[C@H](C)C[N@H+]1C ZINC000195777567 569314653 /nfs/dbraw/zinc/31/46/53/569314653.db2.gz URNGAGFSEVYAOW-XLGIIRLISA-N 1 1 401.626 2.787 50 0 HFAAMO Cc1ccc(C(=O)N2CCC3(CC2)C[C@H](N2CC[NH+](CC(C)C)CC2)CCO3)cn1 ZINC000581820175 569321020 /nfs/dbraw/zinc/32/10/20/569321020.db2.gz WPIWWFFTGYSTLG-JOCHJYFZSA-N 1 1 414.594 2.817 50 0 HFAAMO COc1cc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)NCc2ccco2)ccc1O ZINC000006641843 569357093 /nfs/dbraw/zinc/35/70/93/569357093.db2.gz USKDJLYEQAFBEQ-LEOXJPRUSA-N 1 1 414.502 2.978 50 0 biogenic HFAAMO COc1cc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)NCc2ccco2)ccc1O ZINC000006641843 569357094 /nfs/dbraw/zinc/35/70/94/569357094.db2.gz USKDJLYEQAFBEQ-LEOXJPRUSA-N 1 1 414.502 2.978 50 0 biogenic HFAAMO CO[C@H](C)c1nc(CN2CCC[N@H+](CC(=O)NCc3ccc(F)cc3)CC2)cs1 ZINC000079053446 569425847 /nfs/dbraw/zinc/42/58/47/569425847.db2.gz IASDYGVIHSMDJK-MRXNPFEDSA-N 1 1 420.554 2.814 50 0 HFAAMO CO[C@H](C)c1nc(CN2CCC[N@@H+](CC(=O)NCc3ccc(F)cc3)CC2)cs1 ZINC000079053446 569425848 /nfs/dbraw/zinc/42/58/48/569425848.db2.gz IASDYGVIHSMDJK-MRXNPFEDSA-N 1 1 420.554 2.814 50 0 HFAAMO COc1cc(CN2CC[N@@H+](CCCc3ccccc3)[C@@H](CCO)C2)cc(OC)c1O ZINC000019841733 569431052 /nfs/dbraw/zinc/43/10/52/569431052.db2.gz IUPGIWDYFGKKFV-NRFANRHFSA-N 1 1 414.546 2.911 50 0 HFAAMO O=c1cc(CO)oc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1O ZINC000079492704 569432549 /nfs/dbraw/zinc/43/25/49/569432549.db2.gz JIPQYCFGKUMBLP-UHFFFAOYSA-N 1 1 406.482 2.745 50 0 HFAAMO CCOC(=O)C1C(C[NH+]2CCC(C)CC2)=NC(=O)N[C@H]1c1ccc(OCC)cc1 ZINC000067287652 571065877 /nfs/dbraw/zinc/06/58/77/571065877.db2.gz CLFDJXRYGZNTFB-FQEVSTJZSA-N 1 1 401.507 2.988 50 0 HFAAMO CCOC(=O)C1=C(C[NH+]2CCC(C)CC2)NC(=O)N[C@H]1c1ccc(OCC)cc1 ZINC000067287652 571065879 /nfs/dbraw/zinc/06/58/79/571065879.db2.gz CLFDJXRYGZNTFB-FQEVSTJZSA-N 1 1 401.507 2.988 50 0 HFAAMO COC(=O)c1cc(CN(C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)oc1C ZINC000040038964 571142009 /nfs/dbraw/zinc/14/20/09/571142009.db2.gz WJQHACFPOBWHPT-UHFFFAOYSA-N 1 1 415.490 2.548 50 0 HFAAMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)C[C@@H](C)O1 ZINC000040069322 571149613 /nfs/dbraw/zinc/14/96/13/571149613.db2.gz CDZJPQDNQHEVBY-BZUAXINKSA-N 1 1 407.942 2.697 50 0 HFAAMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)Nc1cccc(C(=O)N2CCCC2)c1 ZINC000040072018 571152462 /nfs/dbraw/zinc/15/24/62/571152462.db2.gz KSUCMYKSZVRXKB-UHFFFAOYSA-N 1 1 406.530 2.679 50 0 HFAAMO CCN1CC[NH+](CCCNC(=O)CSc2ccc(Br)cc2)CC1 ZINC000040089510 571159407 /nfs/dbraw/zinc/15/94/07/571159407.db2.gz AODARUMVJYOFBO-UHFFFAOYSA-N 1 1 400.386 2.685 50 0 HFAAMO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2c[nH]c(=S)n2-c2ccccc2)CC1 ZINC000040118807 571175051 /nfs/dbraw/zinc/17/50/51/571175051.db2.gz NDXCCBAFAQKTCF-UHFFFAOYSA-N 1 1 415.563 2.551 50 0 HFAAMO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2c[nH]c(=S)n2-c2ccccc2)CC1 ZINC000040118807 571175054 /nfs/dbraw/zinc/17/50/54/571175054.db2.gz NDXCCBAFAQKTCF-UHFFFAOYSA-N 1 1 415.563 2.551 50 0 HFAAMO O=C(c1cn(-c2ccccc2C(F)(F)F)nn1)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000040120304 571176446 /nfs/dbraw/zinc/17/64/46/571176446.db2.gz MVRNMPRVUJYRMP-OAHLLOKOSA-N 1 1 423.439 2.613 50 0 HFAAMO COc1ccccc1CCNC(=O)C1CC[NH+](CC(=O)Nc2ccc(F)cc2)CC1 ZINC000009067954 571218169 /nfs/dbraw/zinc/21/81/69/571218169.db2.gz XTKCYHOIOPULOT-UHFFFAOYSA-N 1 1 413.493 2.844 50 0 HFAAMO C[N@H+]1CCCN(c2ccc(CNC(=O)CCCc3nc4ccccc4[nH]3)cn2)CC1 ZINC000071808662 571301805 /nfs/dbraw/zinc/30/18/05/571301805.db2.gz LDHKJZRMBRDFOK-UHFFFAOYSA-N 1 1 406.534 2.739 50 0 HFAAMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1C(=O)c1ccc2c(c1)OCCO2 ZINC000071846606 571303364 /nfs/dbraw/zinc/30/33/64/571303364.db2.gz UPOICJNSVKIVBZ-MRXNPFEDSA-N 1 1 406.482 2.903 50 0 HFAAMO COC(=O)c1ccccc1NC(=O)[C@H]1C[C@H]2CCC[N@H+]2[C@]12c1ccccc1NC2=O ZINC000020513077 571314742 /nfs/dbraw/zinc/31/47/42/571314742.db2.gz FGXDXNLFUHDCER-KFOHMRLHSA-N 1 1 405.454 2.744 50 0 HFAAMO C[C@@H](Nc1ccc([NH+]2CCCCC2)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000007003121 132322115 /nfs/dbraw/zinc/32/21/15/132322115.db2.gz VRYUWAJNZRTOGY-OAHLLOKOSA-N 1 1 402.520 2.763 50 0 HFAAMO O=C(C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)N1CCN(c2ccccn2)CC1 ZINC000007684384 132325287 /nfs/dbraw/zinc/32/52/87/132325287.db2.gz XRRRBQNDFMRXFO-FQEVSTJZSA-N 1 1 422.529 2.729 50 0 HFAAMO O=C(C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)N1CCN(c2ccccn2)CC1 ZINC000007684384 132325289 /nfs/dbraw/zinc/32/52/89/132325289.db2.gz XRRRBQNDFMRXFO-FQEVSTJZSA-N 1 1 422.529 2.729 50 0 HFAAMO CCn1cc(CN2CC[N@@H+](Cc3ccc(OC)c(C)c3C)[C@@H](CCO)C2)c(C)n1 ZINC000020601637 523371656 /nfs/dbraw/zinc/37/16/56/523371656.db2.gz IDMFNSQOTYUUHE-QFIPXVFZSA-N 1 1 400.567 2.906 50 0 HFAAMO C[C@@H]1C[N@H+](CCCNC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)C[C@H](C)O1 ZINC000032899251 524943517 /nfs/dbraw/zinc/94/35/17/524943517.db2.gz JMPJPGNWFCTEGN-IIYDPXPESA-N 1 1 411.955 2.758 50 0 HFAAMO O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)NCC[N@H+]1CCc2ccccc2C1 ZINC000045076675 526855205 /nfs/dbraw/zinc/85/52/05/526855205.db2.gz QPMDKFNFEYRJKB-UHFFFAOYSA-N 1 1 406.313 2.898 50 0 HFAAMO Cn1c(=O)c2cc(C(=O)NCCC[NH+]3CCOCC3)sc2c2ccc(Cl)cc21 ZINC000020237745 527025579 /nfs/dbraw/zinc/02/55/79/527025579.db2.gz VEIVNAGMXDWDHK-UHFFFAOYSA-N 1 1 419.934 2.859 50 0 HFAAMO Cc1nc2ccccc2c(=O)n1CC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000032778919 527158588 /nfs/dbraw/zinc/15/85/88/527158588.db2.gz FGHKCQRJDCVMMY-UHFFFAOYSA-N 1 1 408.477 2.579 50 0 HFAAMO Cc1nc2ccccc2c(=O)n1CC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000032778919 527158593 /nfs/dbraw/zinc/15/85/93/527158593.db2.gz FGHKCQRJDCVMMY-UHFFFAOYSA-N 1 1 408.477 2.579 50 0 HFAAMO O=C(Nc1cccc(F)c1)c1coc(CN2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1 ZINC000034677168 557364488 /nfs/dbraw/zinc/36/44/88/557364488.db2.gz FMWCUFUKJJZAPA-OAQYLSRUSA-N 1 1 424.476 2.917 50 0 HFAAMO CCOC(=O)N1CCN(C(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)CC1 ZINC000004676985 557580121 /nfs/dbraw/zinc/58/01/21/557580121.db2.gz CNKVBUOGZDGJPS-UHFFFAOYSA-N 1 1 411.905 2.992 50 0 HFAAMO COc1cc(=O)n(-c2ccc(C)cc2)nc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022714074 557801801 /nfs/dbraw/zinc/80/18/01/557801801.db2.gz HRCQTQRYFMPMOS-UHFFFAOYSA-N 1 1 418.497 2.508 50 0 HFAAMO O=C(CC[NH+]1CCN(CC(=O)Nc2cccc(F)c2)CC1)Nc1cccc(F)c1 ZINC000022912519 558258185 /nfs/dbraw/zinc/25/81/85/558258185.db2.gz SOVKVSBWUDFMNV-UHFFFAOYSA-N 1 1 402.445 2.550 50 0 HFAAMO CCOC(=O)N1CCN([C@H]2CCC[N@H+](Cc3cc(Cl)c(O)c(OC)c3)C2)CC1 ZINC000022919546 558263084 /nfs/dbraw/zinc/26/30/84/558263084.db2.gz MFGHAQDLWNTXHX-INIZCTEOSA-N 1 1 411.930 2.793 50 0 HFAAMO CCOC(=O)N1CCN([C@H]2CCC[N@@H+](Cc3cc(Cl)c(O)c(OC)c3)C2)CC1 ZINC000022919546 558263087 /nfs/dbraw/zinc/26/30/87/558263087.db2.gz MFGHAQDLWNTXHX-INIZCTEOSA-N 1 1 411.930 2.793 50 0 HFAAMO COCC(=O)N[C@H](CC(C)C)c1nnc2n1CC[N@H+](Cc1cc(C)cc(C)c1)CC2 ZINC000019744693 558265241 /nfs/dbraw/zinc/26/52/41/558265241.db2.gz VYCKYCQVVNRZER-HXUWFJFHSA-N 1 1 413.566 2.803 50 0 HFAAMO Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2C[N@H+](C)C[C@H]1COCCO1 ZINC000019792783 558283280 /nfs/dbraw/zinc/28/32/80/558283280.db2.gz PVQOCNLSHKZVJU-SFHVURJKSA-N 1 1 400.523 2.506 50 0 HFAAMO Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2C[N@@H+](C)C[C@H]1COCCO1 ZINC000019792783 558283283 /nfs/dbraw/zinc/28/32/83/558283283.db2.gz PVQOCNLSHKZVJU-SFHVURJKSA-N 1 1 400.523 2.506 50 0 HFAAMO COc1ccccc1-n1cc(CN2CC[N@H+](Cc3cccc(C)n3)[C@@H](CCO)C2)cn1 ZINC000019792604 558283404 /nfs/dbraw/zinc/28/34/04/558283404.db2.gz JSGVBSQJMLVERR-QFIPXVFZSA-N 1 1 421.545 2.653 50 0 HFAAMO COc1ccccc1-n1cc(CN2CC[N@@H+](Cc3cccc(C)n3)[C@@H](CCO)C2)cn1 ZINC000019792604 558283406 /nfs/dbraw/zinc/28/34/06/558283406.db2.gz JSGVBSQJMLVERR-QFIPXVFZSA-N 1 1 421.545 2.653 50 0 HFAAMO Cc1ccc(Cl)cc1N(CC(=O)N1CC[NH+](C)CC1)S(=O)(=O)c1ccccc1 ZINC000019809966 558286649 /nfs/dbraw/zinc/28/66/49/558286649.db2.gz QQMABQUTFOQKNH-UHFFFAOYSA-N 1 1 421.950 2.618 50 0 HFAAMO COc1ccc(-c2noc(C[NH+]3CCC(CCNC(C)=O)CC3)n2)c(OC)c1OC ZINC000011842655 558287573 /nfs/dbraw/zinc/28/75/73/558287573.db2.gz RITSKJCEOHMOAI-UHFFFAOYSA-N 1 1 418.494 2.501 50 0 HFAAMO COC(=O)c1ccc(CN2CC[N@@H+](Cc3ccc(OC)c(C)c3)[C@@H](CCO)C2)cc1 ZINC000020204106 558346424 /nfs/dbraw/zinc/34/64/24/558346424.db2.gz KGBKEFYMBUMWCI-QFIPXVFZSA-N 1 1 412.530 2.859 50 0 HFAAMO COC(=O)c1ccc(C[N@@H+]2CCN(Cc3ccc(OC)c(C)c3)[C@@H](CCO)C2)cc1 ZINC000020204106 558346430 /nfs/dbraw/zinc/34/64/30/558346430.db2.gz KGBKEFYMBUMWCI-QFIPXVFZSA-N 1 1 412.530 2.859 50 0 HFAAMO COC(=O)c1ccc(C[N@H+]2CCN(Cc3ccc(OC)c(C)c3)[C@@H](CCO)C2)cc1 ZINC000020204106 558346432 /nfs/dbraw/zinc/34/64/32/558346432.db2.gz KGBKEFYMBUMWCI-QFIPXVFZSA-N 1 1 412.530 2.859 50 0 HFAAMO CC(C)Oc1ccc(C[N@@H+]2CCc3nnc(CCNC(=O)C4CCC4)n3CC2)cc1 ZINC000020454411 558368340 /nfs/dbraw/zinc/36/83/40/558368340.db2.gz QIEPGBVMTPIBFO-UHFFFAOYSA-N 1 1 411.550 2.582 50 0 HFAAMO COc1ccccc1OCC(=O)NC[C@H]1CCC[N@@H+](Cc2cnn(C(C)C)c2)C1 ZINC000012298438 558368418 /nfs/dbraw/zinc/36/84/18/558368418.db2.gz KGSIPHUYPVTXOT-GOSISDBHSA-N 1 1 400.523 2.880 50 0 HFAAMO CC[C@@H](O)CNC(=O)C1CC[NH+](C2CCN(CCCc3ccccc3)CC2)CC1 ZINC000020455040 558369009 /nfs/dbraw/zinc/36/90/09/558369009.db2.gz RQYCPCUKSQOWCE-HSZRJFAPSA-N 1 1 401.595 2.683 50 0 HFAAMO CN1CCC([NH+]2CCC(CN(Cc3ccc(CO)o3)Cc3ccncc3)CC2)CC1 ZINC000012302140 558371728 /nfs/dbraw/zinc/37/17/28/558371728.db2.gz UPQMAIHPSKFVBD-UHFFFAOYSA-N 1 1 412.578 2.975 50 0 HFAAMO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)NCC(=O)Nc2cc(C)ccc2OC)cc1 ZINC000021473052 558439182 /nfs/dbraw/zinc/43/91/82/558439182.db2.gz JTLBCHGVICPFBQ-FQEVSTJZSA-N 1 1 411.502 2.904 50 0 HFAAMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)NCC(=O)Nc2cc(C)ccc2OC)cc1 ZINC000021473052 558439187 /nfs/dbraw/zinc/43/91/87/558439187.db2.gz JTLBCHGVICPFBQ-FQEVSTJZSA-N 1 1 411.502 2.904 50 0 HFAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)c2ccnc(Cl)c2)CC1 ZINC000012710660 558452144 /nfs/dbraw/zinc/45/21/44/558452144.db2.gz KNEROWNZFXBVPQ-GOSISDBHSA-N 1 1 406.958 2.968 50 0 HFAAMO O=C(C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)N1CCN(c2ccccc2F)CC1 ZINC000022014900 558457881 /nfs/dbraw/zinc/45/78/81/558457881.db2.gz DSJFACWTAMDBMK-IBGZPJMESA-N 1 1 424.520 2.825 50 0 HFAAMO O[C@@H](COc1ccccc1C[NH2+]CCc1ccc(F)cc1)CN1CCSCC1 ZINC000012754798 558459481 /nfs/dbraw/zinc/45/94/81/558459481.db2.gz YYRPKDAEJBLUDC-OAQYLSRUSA-N 1 1 404.551 2.947 50 0 HFAAMO Cc1ccccc1Nc1nc(N)nc(CN2CC[NH+](CCOc3ccccc3)CC2)n1 ZINC000022804571 558513790 /nfs/dbraw/zinc/51/37/90/558513790.db2.gz XIZOLXMGZLAOQJ-UHFFFAOYSA-N 1 1 419.533 2.702 50 0 HFAAMO Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC2CC[NH+](CC(N)=O)CC2)cc1 ZINC000010922671 558570557 /nfs/dbraw/zinc/57/05/57/558570557.db2.gz HJKADODAPJPZIM-UHFFFAOYSA-N 1 1 417.513 2.527 50 0 HFAAMO CCCCNC(=O)COCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000013942282 558604922 /nfs/dbraw/zinc/60/49/22/558604922.db2.gz GTXOZXRREPCZBU-UHFFFAOYSA-N 1 1 423.557 2.853 50 0 HFAAMO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000014070147 558617452 /nfs/dbraw/zinc/61/74/52/558617452.db2.gz XVJJQNKYNIDDDB-MRXNPFEDSA-N 1 1 401.507 2.857 50 0 HFAAMO CCc1ccc(Cl)c(CC)c1NC(=O)C[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC000025054137 558629052 /nfs/dbraw/zinc/62/90/52/558629052.db2.gz APGXYPMOKIBRIA-UHFFFAOYSA-N 1 1 421.969 2.974 50 0 HFAAMO COCCCNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C[N@@H+](CC(C)C)C1 ZINC000014741243 558666927 /nfs/dbraw/zinc/66/69/27/558666927.db2.gz VSRKFXBOFTVKIJ-LEWJYISDSA-N 1 1 415.578 2.861 50 0 HFAAMO CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H]([N@@H+](CCO)Cc1ccccc1)C2 ZINC000014745420 558668881 /nfs/dbraw/zinc/66/88/81/558668881.db2.gz RPHXGEWPZXPHOU-HXUWFJFHSA-N 1 1 410.562 2.881 50 0 HFAAMO CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H]([N@@H+](CCO)Cc1ccccc1)C2 ZINC000014745419 558668894 /nfs/dbraw/zinc/66/88/94/558668894.db2.gz RPHXGEWPZXPHOU-FQEVSTJZSA-N 1 1 410.562 2.881 50 0 HFAAMO CCN(CC)C(=O)CO[C@H]1CN(CCc2ccccc2)C(=O)C[N@H+](C2CCCC2)C1 ZINC000014748753 558670263 /nfs/dbraw/zinc/67/02/63/558670263.db2.gz RKOSYANERWJNCB-QFIPXVFZSA-N 1 1 415.578 2.570 50 0 HFAAMO CC[C@H](CNC(=O)NCc1ccc(N2CCOCC2)nc1)[N@H+]1CCc2ccccc2C1 ZINC000027347539 558672255 /nfs/dbraw/zinc/67/22/55/558672255.db2.gz BTEUBAJIMADFMM-JOCHJYFZSA-N 1 1 423.561 2.554 50 0 HFAAMO Cc1ccccc1C[N@@H+]1CCc2nnc(CNC(=O)Cc3cccc(F)c3)n2CC1 ZINC000014951693 558681266 /nfs/dbraw/zinc/68/12/66/558681266.db2.gz BFDQJROWDTXANN-UHFFFAOYSA-N 1 1 407.493 2.643 50 0 HFAAMO CC1(C)[C@@H]2C[C@H]1C(C[N@@H+]1CCc3nnc(CNC(=O)Cc4ccccc4)n3CC1)=CC2 ZINC000014958269 558683067 /nfs/dbraw/zinc/68/30/67/558683067.db2.gz OPWUIBOCODMACJ-SFTDATJTSA-N 1 1 419.573 2.988 50 0 HFAAMO CCOc1ccc(C[N@@H+]2CCc3nnc([C@@H](C)NC(=O)c4ccco4)n3CC2)cc1 ZINC000014994420 558695776 /nfs/dbraw/zinc/69/57/76/558695776.db2.gz XGNCZXYNUBFPRS-MRXNPFEDSA-N 1 1 409.490 2.819 50 0 HFAAMO COc1ccc(C[N@@H+]2CCc3nnc(CNC(=O)Cc4ccccc4)n3CC2)cc1C ZINC000015000258 558697361 /nfs/dbraw/zinc/69/73/61/558697361.db2.gz VHSUMVXWDPAEGH-UHFFFAOYSA-N 1 1 419.529 2.512 50 0 HFAAMO Cc1ccc(C)c(C[N@H+]2CCC(=O)N(CCS(=O)(=O)c3ccccc3)CC2)c1 ZINC000015001705 558698059 /nfs/dbraw/zinc/69/80/59/558698059.db2.gz ZVWORKOXRAYQSS-UHFFFAOYSA-N 1 1 400.544 2.812 50 0 HFAAMO Cc1ccc(C)c(C[N@@H+]2CCC(=O)N(CCS(=O)(=O)c3ccccc3)CC2)c1 ZINC000015001705 558698061 /nfs/dbraw/zinc/69/80/61/558698061.db2.gz ZVWORKOXRAYQSS-UHFFFAOYSA-N 1 1 400.544 2.812 50 0 HFAAMO COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)CC[NH+]1CCOCC1)CC2 ZINC000072280536 558705627 /nfs/dbraw/zinc/70/56/27/558705627.db2.gz ZDGVORJDIYOJLD-JOCHJYFZSA-N 1 1 416.543 2.962 50 0 HFAAMO COc1ccc(CN(Cc2nccn2C)C(C)C)cc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000015073383 558714263 /nfs/dbraw/zinc/71/42/63/558714263.db2.gz VWSGTIBIQQWDPL-FQEVSTJZSA-N 1 1 418.582 2.919 50 0 HFAAMO O=C(NCc1ccon1)[C@H]1CCC[N@@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC000015073890 558714747 /nfs/dbraw/zinc/71/47/47/558714747.db2.gz ZHLKCROGWOCPGI-FQEVSTJZSA-N 1 1 408.546 2.635 50 0 HFAAMO O=C(NCc1ccon1)[C@H]1CCC[N@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC000015073890 558714751 /nfs/dbraw/zinc/71/47/51/558714751.db2.gz ZHLKCROGWOCPGI-FQEVSTJZSA-N 1 1 408.546 2.635 50 0 HFAAMO O=C(CN1CCOC1=O)N(Cc1cccnc1)C[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000015078981 558718174 /nfs/dbraw/zinc/71/81/74/558718174.db2.gz YHHVDSRCIWDYLZ-HXUWFJFHSA-N 1 1 414.550 2.907 50 0 HFAAMO COc1ccc(Oc2ncccc2NC(=O)N2CCN(c3[nH+]ccn3C)CC2)cc1 ZINC000072305842 558762079 /nfs/dbraw/zinc/76/20/79/558762079.db2.gz ZCVYCBVMNAFCKU-UHFFFAOYSA-N 1 1 408.462 2.970 50 0 HFAAMO CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016009743 558766334 /nfs/dbraw/zinc/76/63/34/558766334.db2.gz XZTBERJCRJUKQW-PBQROFAYSA-N 1 1 415.493 2.989 50 0 HFAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)Cn1nnc(-c2ccccc2F)n1 ZINC000004580796 558766987 /nfs/dbraw/zinc/76/69/87/558766987.db2.gz FSCVDPOZJLMSOL-PXNSSMCTSA-N 1 1 406.465 2.622 50 0 HFAAMO CC[N@@H+](Cc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@H](C)c1cccc(O)c1 ZINC000072308228 558768509 /nfs/dbraw/zinc/76/85/09/558768509.db2.gz BKKCTDLUPAJHLG-QGZVFWFLSA-N 1 1 404.532 2.996 50 0 HFAAMO Cc1c(C)c(=O)oc2c(C)c(OC[C@H](O)C[NH+]3CCN(c4ccccn4)CC3)ccc12 ZINC000035686218 558794997 /nfs/dbraw/zinc/79/49/97/558794997.db2.gz IIEQLWBXXMHXSA-LJQANCHMSA-N 1 1 423.513 2.675 50 0 HFAAMO COc1cc(CN2CC[N@@H+](CCCc3ccccc3)[C@H](CCO)C2)cc2c1OCO2 ZINC000039399062 558820876 /nfs/dbraw/zinc/82/08/76/558820876.db2.gz ZPLYXMYCHHHAMT-OAQYLSRUSA-N 1 1 412.530 2.925 50 0 HFAAMO O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000072312725 558838019 /nfs/dbraw/zinc/83/80/19/558838019.db2.gz KEMWHPDEOVFBIK-KNQAVFIVSA-N 1 1 403.542 2.970 50 0 HFAAMO CCn1nc(C(=O)N2CCCN(C)CC2)c2c1CC[C@@H]([N@H+](C)Cc1ccsc1)C2 ZINC000019143724 558846466 /nfs/dbraw/zinc/84/64/66/558846466.db2.gz KCDHGXGGGZZKIQ-GOSISDBHSA-N 1 1 415.607 2.732 50 0 HFAAMO CCn1nc(C(=O)N2CCCN(C)CC2)c2c1CC[C@@H]([N@@H+](C)Cc1ccsc1)C2 ZINC000019143724 558846467 /nfs/dbraw/zinc/84/64/67/558846467.db2.gz KCDHGXGGGZZKIQ-GOSISDBHSA-N 1 1 415.607 2.732 50 0 HFAAMO Cc1ccccc1N1CC[NH+]([C@H]2CCCN(C(=O)CSc3ncccn3)C2)CC1 ZINC000055073901 558871413 /nfs/dbraw/zinc/87/14/13/558871413.db2.gz UFOJBGSFYJJNQG-IBGZPJMESA-N 1 1 411.575 2.690 50 0 HFAAMO COC(=O)C1CC[NH+](Cc2c(C(=O)N(C)Cc3ccccc3)nc3ccccn32)CC1 ZINC000055133871 558873818 /nfs/dbraw/zinc/87/38/18/558873818.db2.gz GMGDOWFVQLRBLM-UHFFFAOYSA-N 1 1 420.513 2.992 50 0 HFAAMO CCOC(=O)C1=C(C[NH2+]Cc2ccc(C)cc2)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000055227605 558876989 /nfs/dbraw/zinc/87/69/89/558876989.db2.gz IPQCJJCLFDQWDY-NRFANRHFSA-N 1 1 409.486 2.965 50 0 HFAAMO Cn1cc(C[N@H+]2CCC[C@@H](C(=O)c3nccn3C)C2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000055255104 558877867 /nfs/dbraw/zinc/87/78/67/558877867.db2.gz MZOVYAIGCNLKLC-QGZVFWFLSA-N 1 1 421.501 2.687 50 0 HFAAMO Cc1ccc(NC(=O)C[NH+]2CCC(CCc3ccccc3)CC2)cc1S(N)(=O)=O ZINC000011155543 558893818 /nfs/dbraw/zinc/89/38/18/558893818.db2.gz ZDUDUGRJKVWKHM-UHFFFAOYSA-N 1 1 415.559 2.926 50 0 HFAAMO Cc1cc(C(=O)NC2CC[NH+](CC(=O)N(C)Cc3c(F)cccc3Cl)CC2)no1 ZINC000058066140 558897794 /nfs/dbraw/zinc/89/77/94/558897794.db2.gz YGVOMMGVWZCQMV-UHFFFAOYSA-N 1 1 422.888 2.628 50 0 HFAAMO C[C@@H]1CN(Cc2c(C(=O)N(C)CCc3ccccc3)nc3sccn23)CC[N@H+]1C ZINC000071765155 558910711 /nfs/dbraw/zinc/91/07/11/558910711.db2.gz VGRSQNQEEJQQLZ-QGZVFWFLSA-N 1 1 411.575 2.846 50 0 HFAAMO O=C(c1cccn(Cc2ccccc2)c1=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000058324154 558919637 /nfs/dbraw/zinc/91/96/37/558919637.db2.gz LKWZPPNOUBXGNC-UHFFFAOYSA-N 1 1 401.510 2.897 50 0 HFAAMO CCCC[N@H+]1CCCC[C@H]1CNS(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC000058434779 558926882 /nfs/dbraw/zinc/92/68/82/558926882.db2.gz GEGGTOPAMAFVNJ-ZDUSSCGKSA-N 1 1 415.943 2.604 50 0 HFAAMO CCn1c2ccccc2nc(SCC(=O)NCC[N@@H+](C)Cc2ccccc2)c1=O ZINC000033259821 558928589 /nfs/dbraw/zinc/92/85/89/558928589.db2.gz QIVPFURCQNPXDY-UHFFFAOYSA-N 1 1 410.543 2.757 50 0 HFAAMO Cc1ccc(NC(=O)c2nnc(C(=O)NCC[N@H+](C)Cc3ccccc3)s2)cc1 ZINC000033060427 558954920 /nfs/dbraw/zinc/95/49/20/558954920.db2.gz SEQFHGDEEBDUSV-UHFFFAOYSA-N 1 1 409.515 2.961 50 0 HFAAMO COc1ccc(CN2CC[C@@H]([N@@H+](C)CCc3ccccn3)[C@H](O)C2)c(Cl)c1OC ZINC000067757389 558992444 /nfs/dbraw/zinc/99/24/44/558992444.db2.gz OMUDBPAVWKXLDJ-RTBURBONSA-N 1 1 419.953 2.862 50 0 HFAAMO CC(C)OCCOCc1cccc(NC(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000097164685 558998580 /nfs/dbraw/zinc/99/85/80/558998580.db2.gz IPMGCNSGMUPYLL-FQEVSTJZSA-N 1 1 405.539 2.814 50 0 HFAAMO Cc1cn2cc(CNC(=O)c3ccc(C[N@@H+](C)CC4CCCC4)[nH]c3=O)nc2s1 ZINC000077503824 559007472 /nfs/dbraw/zinc/00/74/72/559007472.db2.gz DHDNWEJZGAMFLC-UHFFFAOYSA-N 1 1 413.547 2.945 50 0 HFAAMO Cc1cc(CNC(=O)[C@H]2CCC[N@H+](C3CCN(Cc4cccnc4)CC3)C2)ccn1 ZINC000082083936 559036604 /nfs/dbraw/zinc/03/66/04/559036604.db2.gz JMWSURKHZLAFNV-QFIPXVFZSA-N 1 1 407.562 2.778 50 0 HFAAMO Cc1noc(C)c1CNC(=O)[C@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082091611 559036965 /nfs/dbraw/zinc/03/69/65/559036965.db2.gz YLLSXQFATPTLSK-FQEVSTJZSA-N 1 1 411.550 2.679 50 0 HFAAMO CCc1cc(CNC(=O)[C@@H]2CCC[N@H+](C3CCN(Cc4cccnc4)CC3)C2)on1 ZINC000082097862 559037793 /nfs/dbraw/zinc/03/77/93/559037793.db2.gz FKVYKMIAUPZMLZ-LJQANCHMSA-N 1 1 411.550 2.625 50 0 HFAAMO O=C(NCCC1(O)CCCC1)[C@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082106518 559038157 /nfs/dbraw/zinc/03/81/57/559038157.db2.gz PHVDRKLJVQOTOC-NRFANRHFSA-N 1 1 414.594 2.569 50 0 HFAAMO Cc1nccc(N2CCC([N@H+]3CCC[C@@H](C(=O)NCCc4ccccc4)C3)CC2)n1 ZINC000082120653 559039410 /nfs/dbraw/zinc/03/94/10/559039410.db2.gz LKKGPAIQGWZPMV-OAQYLSRUSA-N 1 1 407.562 2.825 50 0 HFAAMO CCC(CC)C(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082138564 559040470 /nfs/dbraw/zinc/04/04/70/559040470.db2.gz LCMSMMVZIJYGGT-LJQANCHMSA-N 1 1 400.567 2.837 50 0 HFAAMO O=C(NCc1cccnc1)[C@@H]1CCC[N@H+](C2CCN(C(=O)C3CCCCC3)CC2)C1 ZINC000082137338 559040497 /nfs/dbraw/zinc/04/04/97/559040497.db2.gz MFSDTUGOBSDSBX-OAQYLSRUSA-N 1 1 412.578 2.981 50 0 HFAAMO CSc1ccc2c(C)cc(N3C[C@H](CO)[C@H](CN4CC[NH+](C)CC4)C3)nc2c1 ZINC000091593705 559072345 /nfs/dbraw/zinc/07/23/45/559072345.db2.gz BDZXGFMDQXMDKT-QZTJIDSGSA-N 1 1 400.592 2.557 50 0 HFAAMO COCC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1c(C)nn(-c3ccc(F)cc3)c1C)C2 ZINC000095383195 559080606 /nfs/dbraw/zinc/08/06/06/559080606.db2.gz HCWONIGJAGEWIO-YLJYHZDGSA-N 1 1 400.498 2.811 50 0 HFAAMO COc1ccccc1NC(=O)N1CCC2(CCC(=O)N([C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000095515389 559084513 /nfs/dbraw/zinc/08/45/13/559084513.db2.gz WKPDREOHNQDLII-QGZVFWFLSA-N 1 1 400.523 2.636 50 0 HFAAMO Cc1ncc(C(=O)N(C)C[C@@H]2CCC[N@@H+](CCc3ccc(Cl)cc3)C2)c(=O)[nH]1 ZINC000095528324 559086464 /nfs/dbraw/zinc/08/64/64/559086464.db2.gz VJTYCPGUSYRYFX-KRWDZBQOSA-N 1 1 402.926 2.758 50 0 HFAAMO Cc1cc(C)c(-c2cc(C(=O)N3CCC[C@@H](C(=O)N4CC[NH+](C)CC4)C3)no2)c(C)c1 ZINC000096210837 559101540 /nfs/dbraw/zinc/10/15/40/559101540.db2.gz DSMKZMJFSNUVDL-LJQANCHMSA-N 1 1 424.545 2.893 50 0 HFAAMO Cn1c2ccccc2c2cnn(CC(=O)NCCC[N@@H+](C)C3CCCCC3)c(=O)c21 ZINC000004916435 559204145 /nfs/dbraw/zinc/20/41/45/559204145.db2.gz PJHUFKOCUQGLNY-UHFFFAOYSA-N 1 1 409.534 2.659 50 0 HFAAMO COCCN(C[C@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)Cc1n[nH]c(=O)c2ccccc12 ZINC000409414714 559250224 /nfs/dbraw/zinc/25/02/24/559250224.db2.gz VFTBHNFULQZKLJ-DYESRHJHSA-N 1 1 412.534 2.617 50 0 HFAAMO CC[C@@H](C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)n1ncn2c3ccoc3cc2c1=O ZINC000005135724 559250619 /nfs/dbraw/zinc/25/06/19/559250619.db2.gz XYZIQXAOCVCUHG-BBWFWOEESA-N 1 1 413.522 2.678 50 0 HFAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(c2nnc(-n3cccc3)s2)CC1 ZINC000005144121 559252243 /nfs/dbraw/zinc/25/22/43/559252243.db2.gz AHZNMLCYWYDUEB-QGZVFWFLSA-N 1 1 416.595 2.926 50 0 HFAAMO Cc1oc2c(c1C(=O)NC[C@@H]1CC[N@@H+](Cc3ccc(C)cc3)C1)C1=NCCN1C=N2 ZINC000100696326 559257075 /nfs/dbraw/zinc/25/70/75/559257075.db2.gz OHGXSKWSVFLVSM-SFHVURJKSA-N 1 1 405.502 2.884 50 0 HFAAMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000248059449 559260900 /nfs/dbraw/zinc/26/09/00/559260900.db2.gz CRDNOLRBJKWPSQ-UYAOXDASSA-N 1 1 407.580 2.611 50 0 HFAAMO O=C1Nc2ccc(Cl)cc2[C@@]12[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000136829003 559278590 /nfs/dbraw/zinc/27/85/90/559278590.db2.gz WMLIDXMCWWRYCP-KCXPTXFHSA-N 1 1 407.857 2.771 50 0 HFAAMO O=C1Nc2ccc(Cl)cc2[C@@]12[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000136829003 559278592 /nfs/dbraw/zinc/27/85/92/559278592.db2.gz WMLIDXMCWWRYCP-KCXPTXFHSA-N 1 1 407.857 2.771 50 0 HFAAMO Cc1cccc(N2C[C@H](C(=O)NCc3ccc(C[NH+]4CCOCC4)cc3)CC2=O)c1C ZINC000018217223 560784902 /nfs/dbraw/zinc/78/49/02/560784902.db2.gz QYMSHXNBWBRPEG-JOCHJYFZSA-N 1 1 421.541 2.805 50 0 HFAAMO COc1ccc(CNc2nn3c(nc(C[N@@H+]4CCc5ccccc5C4)cc3=O)[nH]2)cc1 ZINC000101796340 560801540 /nfs/dbraw/zinc/80/15/40/560801540.db2.gz ZNIQPEATVKNRBZ-UHFFFAOYSA-N 1 1 416.485 2.597 50 0 HFAAMO COc1ccc(CNc2nn3c(nc(C[N@H+]4CCc5ccccc5C4)cc3=O)[nH]2)cc1 ZINC000101796340 560801542 /nfs/dbraw/zinc/80/15/42/560801542.db2.gz ZNIQPEATVKNRBZ-UHFFFAOYSA-N 1 1 416.485 2.597 50 0 HFAAMO Cc1ccc(S(=O)(=O)N2CCC3(C[N@@H+](C)C[C@H]3c3noc(C4CC4)n3)CC2)cc1 ZINC000097086773 560849735 /nfs/dbraw/zinc/84/97/35/560849735.db2.gz IYJCCBIRTZGMDJ-SFHVURJKSA-N 1 1 416.547 2.756 50 0 HFAAMO COc1ccc(OC)c(NC(=O)COc2coc(C[NH+]3CCCCC3)cc2=O)c1 ZINC000049549847 568451820 /nfs/dbraw/zinc/45/18/20/568451820.db2.gz GOHHHIAZNKQHHV-UHFFFAOYSA-N 1 1 402.447 2.660 50 0 HFAAMO COc1ccc(Cl)cc1N1C[C@@H](C(=O)NC[C@H](c2ccco2)[NH+](C)C)CC1=O ZINC000049944263 568453594 /nfs/dbraw/zinc/45/35/94/568453594.db2.gz OHQKDLHGYKQQOH-XJKSGUPXSA-N 1 1 405.882 2.714 50 0 HFAAMO Cc1cccc(N2CCN(C(=O)CCc3nc(C4=CC[N@@H+](C)CC4)no3)C[C@@H]2C)c1 ZINC000033069152 568510919 /nfs/dbraw/zinc/51/09/19/568510919.db2.gz LYWHLPDUXYEERP-SFHVURJKSA-N 1 1 409.534 2.767 50 0 HFAAMO COc1ccc(COC[C@H](O)C[NH+]2CCN(c3ccccc3F)CC2)cc1OC ZINC000019901536 568585463 /nfs/dbraw/zinc/58/54/63/568585463.db2.gz OVJWCPAKEGMWGY-GOSISDBHSA-N 1 1 404.482 2.543 50 0 HFAAMO CC[C@H]1Oc2ccc(C)cc2N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000020000909 568586221 /nfs/dbraw/zinc/58/62/21/568586221.db2.gz QNFHKHHVSGOFNM-OAQYLSRUSA-N 1 1 407.514 2.843 50 0 HFAAMO CC[NH+]1CCN([C@@H](c2cccs2)[C@@H](C)NC(=O)c2ccc3c(c2)OCO3)CC1 ZINC000020288094 568597515 /nfs/dbraw/zinc/59/75/15/568597515.db2.gz XVUWCRFDRLHWEL-FOIQADDNSA-N 1 1 401.532 2.974 50 0 HFAAMO COc1ccc(C2=NO[C@@H](C(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)cc1OC ZINC000020328214 568599135 /nfs/dbraw/zinc/59/91/35/568599135.db2.gz ZASVYYBZGUJEGQ-JOCHJYFZSA-N 1 1 409.486 2.541 50 0 HFAAMO CC(C)c1cc(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)nn1-c1cc[nH+]cc1 ZINC000095431436 568609181 /nfs/dbraw/zinc/60/91/81/568609181.db2.gz VHLRYRYYMWRPOQ-UHFFFAOYSA-N 1 1 419.441 2.533 50 0 HFAAMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)Nc1cccc(S(=O)(=O)C(F)F)c1 ZINC000095446535 568612056 /nfs/dbraw/zinc/61/20/56/568612056.db2.gz ODUVBUJAMFKGSD-UHFFFAOYSA-N 1 1 419.494 2.505 50 0 HFAAMO CC[N@H+]1CCC[C@H]1CNC(=O)Cc1nn(Cc2ccccc2)c(=O)c2ccccc12 ZINC000095472819 568628077 /nfs/dbraw/zinc/62/80/77/568628077.db2.gz APPIQNWCIKBERB-IBGZPJMESA-N 1 1 404.514 2.588 50 0 HFAAMO Cc1ccc(C2=NN(CC(=O)N3CC[NH+](Cc4ccccc4)CC3)C(=O)CC2)cc1 ZINC000020723565 568640586 /nfs/dbraw/zinc/64/05/86/568640586.db2.gz QYJDCNPCAPJKSC-UHFFFAOYSA-N 1 1 404.514 2.666 50 0 HFAAMO CCOC(=O)c1noc2nc(C)nc(Nc3ccc(C[NH+]4CCN(CC)CC4)cc3)c12 ZINC000020992414 568656066 /nfs/dbraw/zinc/65/60/66/568656066.db2.gz UREXEOPZWLFNAB-UHFFFAOYSA-N 1 1 424.505 2.984 50 0 HFAAMO CC[N@@H+]1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)sc2C1 ZINC000021295233 568687079 /nfs/dbraw/zinc/68/70/79/568687079.db2.gz JRYLICQILMQOCE-UHFFFAOYSA-N 1 1 420.560 2.558 50 0 HFAAMO CC[N@H+]1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)sc2C1 ZINC000021295233 568687080 /nfs/dbraw/zinc/68/70/80/568687080.db2.gz JRYLICQILMQOCE-UHFFFAOYSA-N 1 1 420.560 2.558 50 0 HFAAMO CNC(=O)c1ccn([C@H]2CCC[N@@H+](Cc3c(Cl)cccc3N3CCOCC3)C2)n1 ZINC000239367107 568729036 /nfs/dbraw/zinc/72/90/36/568729036.db2.gz AHNILKIHJUVZGQ-INIZCTEOSA-N 1 1 417.941 2.570 50 0 HFAAMO CCc1noc2ncc(S(=O)(=O)N3CC[NH2+]C[C@H]3c3ccc(CC)cc3)cc12 ZINC000241316896 568731079 /nfs/dbraw/zinc/73/10/79/568731079.db2.gz LVWBKUCBKWPCDE-IBGZPJMESA-N 1 1 400.504 2.683 50 0 HFAAMO CC[C@H]1C[N@@H+](CC(C)(C)O)[C@@H](CC)CN1c1cc(C)nc2nc(C(F)(F)F)nn21 ZINC000241684921 568731451 /nfs/dbraw/zinc/73/14/51/568731451.db2.gz QGLINCGPSOVOPE-KBPBESRZSA-N 1 1 414.476 2.902 50 0 HFAAMO Cc1ccccc1-n1nnnc1SCC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000021867016 568755842 /nfs/dbraw/zinc/75/58/42/568755842.db2.gz IQGWMRJRBOZIEA-GOSISDBHSA-N 1 1 422.558 2.968 50 0 HFAAMO Cc1ccccc1-n1nnnc1SCC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000021867020 568755880 /nfs/dbraw/zinc/75/58/80/568755880.db2.gz IQGWMRJRBOZIEA-SFHVURJKSA-N 1 1 422.558 2.968 50 0 HFAAMO COc1ccccc1[C@H](CNC(=O)/C=C\c1cn(Cc2ccccc2)nn1)[NH+](C)C ZINC000096943692 568765565 /nfs/dbraw/zinc/76/55/65/568765565.db2.gz RTMKUIAKJRIWTR-HJBMFWNLSA-N 1 1 405.502 2.767 50 0 HFAAMO C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3cccnc3N3CCOCC3)cc2)C[C@@H](C)O1 ZINC000056164471 568790618 /nfs/dbraw/zinc/79/06/18/568790618.db2.gz CBIUBENENVUSRW-QZTJIDSGSA-N 1 1 410.518 2.780 50 0 HFAAMO CCOc1ccccc1[C@H]1NC(=O)NC(C[N@H+](C)Cc2ccccc2)=C1C(=O)OC ZINC000057415672 568833950 /nfs/dbraw/zinc/83/39/50/568833950.db2.gz XKDAEWDHIPQNKV-OAQYLSRUSA-N 1 1 409.486 2.998 50 0 HFAAMO CCOc1ccccc1[C@H]1NC(=O)NC(C[N@@H+](C)Cc2ccccc2)=C1C(=O)OC ZINC000057415672 568833951 /nfs/dbraw/zinc/83/39/51/568833951.db2.gz XKDAEWDHIPQNKV-OAQYLSRUSA-N 1 1 409.486 2.998 50 0 HFAAMO CCOc1ccc([C@@H]2NC(=[NH2+])Nc3nc4cc5c(cc4n32)OCCCO5)cc1OC ZINC000012507730 568839954 /nfs/dbraw/zinc/83/99/54/568839954.db2.gz XGKFFIXKATVGQR-LJQANCHMSA-N 1 1 409.446 2.701 50 0 HFAAMO O=C(CN1CSCC1=O)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000030181630 568858599 /nfs/dbraw/zinc/85/85/99/568858599.db2.gz BIPYJSRSUTWLQQ-UHFFFAOYSA-N 1 1 419.547 2.731 50 0 HFAAMO Cc1cc(C)c(S(=O)(=O)N[C@@H](C)C[N@@H+]2CCc3ccccc3C2)c2nonc21 ZINC000670434336 568869241 /nfs/dbraw/zinc/86/92/41/568869241.db2.gz ZMXKKHSRDKFNOL-HNNXBMFYSA-N 1 1 400.504 2.565 50 0 HFAAMO Cc1cc(C)c(S(=O)(=O)N[C@@H](C)C[N@H+]2CCc3ccccc3C2)c2nonc21 ZINC000670434336 568869244 /nfs/dbraw/zinc/86/92/44/568869244.db2.gz ZMXKKHSRDKFNOL-HNNXBMFYSA-N 1 1 400.504 2.565 50 0 HFAAMO COc1ccc(-c2noc(C[NH+]3CCC(C(=O)N4CCCCC4)CC3)n2)cc1OC ZINC000015297645 568871713 /nfs/dbraw/zinc/87/17/13/568871713.db2.gz LPTJIEHJSUZFRL-UHFFFAOYSA-N 1 1 414.506 2.978 50 0 HFAAMO COC(=O)CC[C@H]1C[N@@H+](C/C=C/c2ccccc2OC)CC[C@H]1N1CCOCC1 ZINC000299788360 568875583 /nfs/dbraw/zinc/87/55/83/568875583.db2.gz RYIMGSWGZCMNCW-HEMPXHLYSA-N 1 1 402.535 2.684 50 0 HFAAMO CC(=O)N1CCC(NC(=O)C[NH+]2CCC(c3nc4cc(Cl)ccc4o3)CC2)CC1 ZINC000052993673 568917243 /nfs/dbraw/zinc/91/72/43/568917243.db2.gz PWJWIYLBAXWIFL-UHFFFAOYSA-N 1 1 418.925 2.788 50 0 HFAAMO Cc1ccccc1Cn1cc(C(=O)N2CCC[N@H+](C3Cc4ccccc4C3)CC2)nn1 ZINC000012717633 568918096 /nfs/dbraw/zinc/91/80/96/568918096.db2.gz IWGHBFJOKVUHEP-UHFFFAOYSA-N 1 1 415.541 2.950 50 0 HFAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)[C@@H]1CSCN1C(=O)c1ccccc1 ZINC000046239141 568936498 /nfs/dbraw/zinc/93/64/98/568936498.db2.gz MTQCTDHQTKLQJP-NRFANRHFSA-N 1 1 409.555 2.766 50 0 HFAAMO CC(C)NS(=O)(=O)c1ccc(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000012764838 568947804 /nfs/dbraw/zinc/94/78/04/568947804.db2.gz JKMUUPJTLRSIPY-FQEVSTJZSA-N 1 1 401.532 2.502 50 0 HFAAMO CC(C)NS(=O)(=O)c1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000012764838 568947806 /nfs/dbraw/zinc/94/78/06/568947806.db2.gz JKMUUPJTLRSIPY-FQEVSTJZSA-N 1 1 401.532 2.502 50 0 HFAAMO COc1ccc(C[N@H+](C)[C@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)cc1OC ZINC000008272812 568986622 /nfs/dbraw/zinc/98/66/22/568986622.db2.gz CYHPDRVGUQOVEB-LJQANCHMSA-N 1 1 411.546 2.869 50 0 HFAAMO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)cc1OC ZINC000008272812 568986625 /nfs/dbraw/zinc/98/66/25/568986625.db2.gz CYHPDRVGUQOVEB-LJQANCHMSA-N 1 1 411.546 2.869 50 0 HFAAMO Cc1cccc(C[N@@H+]2CCN(Cc3cnn(-c4ccc(F)cc4)c3)C[C@H]2CCO)n1 ZINC000104478473 569008909 /nfs/dbraw/zinc/00/89/09/569008909.db2.gz KZZMHVHGELUNNM-HSZRJFAPSA-N 1 1 409.509 2.784 50 0 HFAAMO Cc1cccc(C[N@H+]2CCN(Cc3cnn(-c4ccc(F)cc4)c3)C[C@H]2CCO)n1 ZINC000104478473 569008910 /nfs/dbraw/zinc/00/89/10/569008910.db2.gz KZZMHVHGELUNNM-HSZRJFAPSA-N 1 1 409.509 2.784 50 0 HFAAMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CSc2nnc(C(F)(F)F)n2C)CC1 ZINC000012849241 569010257 /nfs/dbraw/zinc/01/02/57/569010257.db2.gz PJLZFGWEOSMIQS-ZDUSSCGKSA-N 1 1 413.469 2.831 50 0 HFAAMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN(C)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000012868136 569012322 /nfs/dbraw/zinc/01/23/22/569012322.db2.gz WCWKQZNOTWERFQ-INIZCTEOSA-N 1 1 402.366 2.898 50 0 HFAAMO COC(=O)[C@@H](CCSC)NC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000016021626 569026159 /nfs/dbraw/zinc/02/61/59/569026159.db2.gz FKRRKHPSEVTVGO-OAHLLOKOSA-N 1 1 414.959 2.508 50 0 HFAAMO COc1ccc(NC(=O)[C@H](CCSC)NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000035378060 569034264 /nfs/dbraw/zinc/03/42/64/569034264.db2.gz YJIZBJNZPNDMNC-PMACEKPBSA-N 1 1 413.543 2.586 50 0 HFAAMO CCCNC(=O)C[N@H+]1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000245253616 569055370 /nfs/dbraw/zinc/05/53/70/569055370.db2.gz JOZUTRHSMRQYDN-JWNTYJGQSA-N 1 1 420.550 2.907 50 0 biogenic HFAAMO Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@@H+]4[C@]4(C(=O)Nc5ccc(F)cc54)[C@H]3C2=O)cc1 ZINC000245242305 569055362 /nfs/dbraw/zinc/05/53/62/569055362.db2.gz ZPXAYNDLMJTIIK-LVBDUCALSA-N 1 1 405.429 2.565 50 0 HFAAMO Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@H+]4[C@]4(C(=O)Nc5ccc(F)cc54)[C@H]3C2=O)cc1 ZINC000245242305 569055363 /nfs/dbraw/zinc/05/53/63/569055363.db2.gz ZPXAYNDLMJTIIK-LVBDUCALSA-N 1 1 405.429 2.565 50 0 HFAAMO CCCNC(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000245253616 569055369 /nfs/dbraw/zinc/05/53/69/569055369.db2.gz JOZUTRHSMRQYDN-JWNTYJGQSA-N 1 1 420.550 2.907 50 0 biogenic HFAAMO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000245309463 569055723 /nfs/dbraw/zinc/05/57/23/569055723.db2.gz DIMRZIVYBGEWTB-KEXUJGGDSA-N 1 1 405.429 2.565 50 0 HFAAMO Cc1cccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@@H+]4[C@]4(C(=O)Nc5ccc(F)cc54)[C@H]3C2=O)c1C ZINC000248174243 569057644 /nfs/dbraw/zinc/05/76/44/569057644.db2.gz YGYZTFOHAYDOBI-SMOZNVCYSA-N 1 1 419.456 2.874 50 0 HFAAMO Cc1cccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@H+]4[C@]4(C(=O)Nc5ccc(F)cc54)[C@H]3C2=O)c1C ZINC000248174243 569057645 /nfs/dbraw/zinc/05/76/45/569057645.db2.gz YGYZTFOHAYDOBI-SMOZNVCYSA-N 1 1 419.456 2.874 50 0 HFAAMO CCOC(=O)C1=C(C[NH+]2CCCCC2)N(C)C(=O)N[C@@H]1c1ccc(OC)cc1OC ZINC000035991130 569074603 /nfs/dbraw/zinc/07/46/03/569074603.db2.gz NQZNBBNMFKTIBV-HXUWFJFHSA-N 1 1 417.506 2.703 50 0 HFAAMO O[C@@H](COc1ccc(Cl)cc1)C[N@@H+](CCN1CCOCC1)Cc1ccccc1 ZINC000036096725 569090262 /nfs/dbraw/zinc/09/02/62/569090262.db2.gz DTBXFVSFBACKQT-OAQYLSRUSA-N 1 1 404.938 2.914 50 0 HFAAMO COc1ccc(C[N@@H+](CCN2CCOCC2)C[C@@H](O)COc2ccccc2C)cc1 ZINC000036102068 569091753 /nfs/dbraw/zinc/09/17/53/569091753.db2.gz BQUSPTWLZWOJJP-JOCHJYFZSA-N 1 1 414.546 2.578 50 0 HFAAMO Cc1ccc(C)c(C[N@@H+](CCN2CCOCC2)C[C@H](O)COCc2ccco2)c1 ZINC000036103804 569092334 /nfs/dbraw/zinc/09/23/34/569092334.db2.gz WFVQFNWEZGPOON-QFIPXVFZSA-N 1 1 402.535 2.608 50 0 HFAAMO C[C@H](C(=O)NCC[N@@H+](C)C1CCCCC1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064776057 569093724 /nfs/dbraw/zinc/09/37/24/569093724.db2.gz FWFSXZVKWBIHIJ-MRXNPFEDSA-N 1 1 409.534 2.830 50 0 HFAAMO O=C(COCc1ccccc1)N1CC[NH+]([C@@H](C(=O)N2CCCC2)C2CCCC2)CC1 ZINC000036255786 569120289 /nfs/dbraw/zinc/12/02/89/569120289.db2.gz MPIWXKCNMSRTLE-HSZRJFAPSA-N 1 1 413.562 2.529 50 0 HFAAMO CN1CC[NH+](CCCNC(=O)c2ccc3nc(CCc4ccccc4)oc3c2)CC1 ZINC000064968127 569137912 /nfs/dbraw/zinc/13/79/12/569137912.db2.gz VCONTBCSIIFHBR-UHFFFAOYSA-N 1 1 406.530 2.980 50 0 HFAAMO CC(=O)N1CC(C)(C)c2cc(S(=O)(=O)N3CC[NH+](C4CCCCC4)CC3)ccc21 ZINC000065020828 569154155 /nfs/dbraw/zinc/15/41/55/569154155.db2.gz YGQWIIZEFWJLGU-UHFFFAOYSA-N 1 1 419.591 2.970 50 0 HFAAMO CC(C)Oc1ccc(CCC(=O)NCC[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000524731032 569211990 /nfs/dbraw/zinc/21/19/90/569211990.db2.gz HUBDAUHQNHNROS-RTWAWAEBSA-N 1 1 423.557 2.804 50 0 biogenic HFAAMO CC[C@]1([NH+]2CCN(C(=O)Nc3ccc(SC)cc3)CC2)CCN(C(=O)NC)C1 ZINC000065292077 569217921 /nfs/dbraw/zinc/21/79/21/569217921.db2.gz ZWVGMKGCTNIBFR-FQEVSTJZSA-N 1 1 405.568 2.752 50 0 HFAAMO COc1ccc(-c2noc(C[N@@H+]3CCC[C@H]3C[C@H](O)c3cnn(C)c3)n2)cc1OC ZINC000170591265 569240625 /nfs/dbraw/zinc/24/06/25/569240625.db2.gz ROWKYNUBEUMJSZ-IRXDYDNUSA-N 1 1 413.478 2.575 50 0 HFAAMO COc1ccc(-c2noc(C[N@H+]3CCC[C@H]3C[C@H](O)c3cnn(C)c3)n2)cc1OC ZINC000170591265 569240626 /nfs/dbraw/zinc/24/06/26/569240626.db2.gz ROWKYNUBEUMJSZ-IRXDYDNUSA-N 1 1 413.478 2.575 50 0 HFAAMO C[C@@H]1CCCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000007486451 569240945 /nfs/dbraw/zinc/24/09/45/569240945.db2.gz KEDCOBLAHOOKIM-GOSISDBHSA-N 1 1 415.559 2.547 50 0 HFAAMO O=C(C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1)NC(=O)NCC(F)(F)F ZINC000007582457 569282117 /nfs/dbraw/zinc/28/21/17/569282117.db2.gz FGXBSJOZKKBIJE-NSHDSACASA-N 1 1 400.426 2.864 50 0 HFAAMO O=C(C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1)NC(=O)NCC(F)(F)F ZINC000007582457 569282118 /nfs/dbraw/zinc/28/21/18/569282118.db2.gz FGXBSJOZKKBIJE-NSHDSACASA-N 1 1 400.426 2.864 50 0 HFAAMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CN(C)CC(=O)Nc2cccc(F)c2)CC1 ZINC000007730961 569304452 /nfs/dbraw/zinc/30/44/52/569304452.db2.gz OWENRLWFCWPMLZ-SFHVURJKSA-N 1 1 412.509 2.601 50 0 HFAAMO Cc1ccc(-c2noc([C@H](C)N3CCC([N@H+]4CCC[C@H]4C(N)=O)CC3)n2)cc1F ZINC000252679591 569319828 /nfs/dbraw/zinc/31/98/28/569319828.db2.gz OQEJKKOSLGLSTG-KSSFIOAISA-N 1 1 401.486 2.659 50 0 HFAAMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000253426794 569368285 /nfs/dbraw/zinc/36/82/85/569368285.db2.gz RBJHEPCJZMQTJG-HNNXBMFYSA-N 1 1 415.987 2.975 50 0 HFAAMO CC[NH+]1CCN(C(=O)c2cccc(NC(=O)[C@@H]3CC(=O)OC34CCCCC4)c2)CC1 ZINC000027739702 569392389 /nfs/dbraw/zinc/39/23/89/569392389.db2.gz XYLOEQDZYOQREV-IBGZPJMESA-N 1 1 413.518 2.669 50 0 HFAAMO Cc1c([C@@H](C)[NH2+]Cc2cnn([C@@H]3CCS(=O)(=O)C3)c2)cnn1-c1ccc(F)cc1 ZINC000079100163 569427392 /nfs/dbraw/zinc/42/73/92/569427392.db2.gz DEODPEVSOXHLTF-AUUYWEPGSA-N 1 1 417.510 2.727 50 0 HFAAMO Cc1ccc(NC(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)cc1S(N)(=O)=O ZINC000040082818 571156489 /nfs/dbraw/zinc/15/64/89/571156489.db2.gz HHEMPDJLLGSUGX-HOTGVXAUSA-N 1 1 417.531 2.504 50 0 HFAAMO Cn1c(=O)c2ccc(C(=O)NCc3ccccc3C[NH+]3CCCC3)cc2[nH]c1=S ZINC000008924938 571160036 /nfs/dbraw/zinc/16/00/36/571160036.db2.gz NEOFRFKAVDDYGW-UHFFFAOYSA-N 1 1 408.527 2.748 50 0 HFAAMO CCN1CC[NH+](Cc2ccc(CNC(=O)c3cncc(Br)c3)cc2)CC1 ZINC000040115271 571173122 /nfs/dbraw/zinc/17/31/22/571173122.db2.gz YBXGVGBSGJGQOR-UHFFFAOYSA-N 1 1 417.351 2.912 50 0 HFAAMO O=C(CC[N@@H+]1CCO[C@H](c2ccc(Cl)cc2)C1)N1CCN(c2ccccn2)CC1 ZINC000040154737 571202161 /nfs/dbraw/zinc/20/21/61/571202161.db2.gz QRNXCNKHGILEFE-FQEVSTJZSA-N 1 1 414.937 2.847 50 0 HFAAMO O=C(CC[N@H+]1CCO[C@H](c2ccc(Cl)cc2)C1)N1CCN(c2ccccn2)CC1 ZINC000040154737 571202164 /nfs/dbraw/zinc/20/21/64/571202164.db2.gz QRNXCNKHGILEFE-FQEVSTJZSA-N 1 1 414.937 2.847 50 0 HFAAMO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)s1 ZINC000040157800 571204183 /nfs/dbraw/zinc/20/41/83/571204183.db2.gz YFJKAOWTBVRELA-OWCLPIDISA-N 1 1 415.625 2.982 50 0 HFAAMO C[N@H+](CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O)[C@H]1CCc2ccccc21 ZINC000245224761 571217458 /nfs/dbraw/zinc/21/74/58/571217458.db2.gz DDXKRGOMRMMIIJ-GBXCKJPGSA-N 1 1 420.513 2.580 50 0 HFAAMO C[N@@H+](CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O)[C@H]1CCc2ccccc21 ZINC000245224761 571217461 /nfs/dbraw/zinc/21/74/61/571217461.db2.gz DDXKRGOMRMMIIJ-GBXCKJPGSA-N 1 1 420.513 2.580 50 0 HFAAMO COc1cccc(CCNC(=O)C2CC[NH+](CC(=O)Nc3ccc(F)cc3)CC2)c1 ZINC000009068239 571218204 /nfs/dbraw/zinc/21/82/04/571218204.db2.gz IDZHQKATGIGOGK-UHFFFAOYSA-N 1 1 413.493 2.844 50 0 HFAAMO COC(=O)c1ccc(NC(=O)C2CC[NH+](CC(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000009068096 571218305 /nfs/dbraw/zinc/21/83/05/571218305.db2.gz VKAOCVMZTCGXCZ-UHFFFAOYSA-N 1 1 413.449 2.902 50 0 HFAAMO Cc1csc(NC(=O)C2CC[NH+](CC(=O)NC(=O)N[C@@H]3CCCC[C@H]3C)CC2)n1 ZINC000069950485 571250955 /nfs/dbraw/zinc/25/09/55/571250955.db2.gz ZRHLMYINTDPFIP-CZUORRHYSA-N 1 1 421.567 2.507 50 0 HFAAMO C[C@@H](NC(=O)C[N@H+]1CCC[C@H](C(=O)N2CCOCC2)C1)c1cccc2ccccc21 ZINC000009983203 571293533 /nfs/dbraw/zinc/29/35/33/571293533.db2.gz JKAQESWOQFHOJO-QUCCMNQESA-N 1 1 409.530 2.588 50 0 HFAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc(C[S@](=O)Cc2cccc(Cl)c2)o1 ZINC000020515277 571314616 /nfs/dbraw/zinc/31/46/16/571314616.db2.gz GJUQXZLMWYTSIH-NDEPHWFRSA-N 1 1 424.950 2.834 50 0 HFAAMO CC(C)[C@@H](NC(=O)c1cc(-c2ccccc2Cl)on1)C(=O)N1CC[NH+](C)CC1 ZINC000036013764 571317176 /nfs/dbraw/zinc/31/71/76/571317176.db2.gz ABVUNNQBPGAIQZ-GOSISDBHSA-N 1 1 404.898 2.523 50 0 HFAAMO Cc1cc(=O)n2c(n1)NC(N1CCN(c3ccccc3)CC1)=[NH+][C@@H]2c1ccccc1 ZINC000009264584 132337925 /nfs/dbraw/zinc/33/79/25/132337925.db2.gz FZDGHMNUJMUHRI-NRFANRHFSA-N 1 1 400.486 2.702 50 0 HFAAMO COc1cccc(C[N@H+]2CCC[C@@H](NC(=O)c3ccccc3N3CCOCC3)C2)c1 ZINC000011668024 132349133 /nfs/dbraw/zinc/34/91/33/132349133.db2.gz LIXFCVCZBYRJGK-HXUWFJFHSA-N 1 1 409.530 2.926 50 0 HFAAMO CC(C)C[C@@H](CNC(=O)Nc1cc2c(cc1Cl)NC(=O)CO2)[NH+]1CCOCC1 ZINC000044271230 519210355 /nfs/dbraw/zinc/21/03/55/519210355.db2.gz XCBABXZLWQXBBO-ZDUSSCGKSA-N 1 1 410.902 2.539 50 0 HFAAMO CCOc1ccc(C[N@@H+]2CCN(Cc3cnc(N(C)C)s3)C[C@@H]2CCO)cc1 ZINC000020598429 520975109 /nfs/dbraw/zinc/97/51/09/520975109.db2.gz RYFBGOFBCRHDAM-SFHVURJKSA-N 1 1 404.580 2.677 50 0 HFAAMO CCOc1ccc(C[N@H+]2CCN(Cc3cnc(N(C)C)s3)C[C@@H]2CCO)cc1 ZINC000020598429 520975117 /nfs/dbraw/zinc/97/51/17/520975117.db2.gz RYFBGOFBCRHDAM-SFHVURJKSA-N 1 1 404.580 2.677 50 0 HFAAMO COc1cc(C[N@@H+]2CCN(Cc3cc(C(C)C)n[nH]3)C[C@@H]2CCO)cc(OC)c1 ZINC000020601748 522382670 /nfs/dbraw/zinc/38/26/70/522382670.db2.gz AGGBGYLNJLAMJT-IBGZPJMESA-N 1 1 402.539 2.619 50 0 HFAAMO COc1cc(C[N@H+]2CCN(Cc3cc(C(C)C)n[nH]3)C[C@@H]2CCO)cc(OC)c1 ZINC000020601748 522382678 /nfs/dbraw/zinc/38/26/78/522382678.db2.gz AGGBGYLNJLAMJT-IBGZPJMESA-N 1 1 402.539 2.619 50 0 HFAAMO C[N@H+](Cc1nc(-c2ccc3c(c2)OCO3)no1)CC1(N2CCOCC2)CCCCC1 ZINC000020601545 523543061 /nfs/dbraw/zinc/54/30/61/523543061.db2.gz LBSZVGMMVDPTIZ-UHFFFAOYSA-N 1 1 414.506 2.932 50 0 HFAAMO C[N@@H+](Cc1nc(-c2ccc3c(c2)OCO3)no1)CC1(N2CCOCC2)CCCCC1 ZINC000020601545 523543068 /nfs/dbraw/zinc/54/30/68/523543068.db2.gz LBSZVGMMVDPTIZ-UHFFFAOYSA-N 1 1 414.506 2.932 50 0 HFAAMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)CNC(=O)COc2ccccc2)C1 ZINC000032930726 524235541 /nfs/dbraw/zinc/23/55/41/524235541.db2.gz MTCXJKONPSNBAM-LJQANCHMSA-N 1 1 409.530 2.730 50 0 HFAAMO C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[NH+]1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000032879618 526006925 /nfs/dbraw/zinc/00/69/25/526006925.db2.gz BPEMFQKGOAMGRB-OKZBNKHCSA-N 1 1 407.580 2.607 50 0 HFAAMO CCCCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CC[NH+](C)CC1 ZINC000012591586 534955271 /nfs/dbraw/zinc/95/52/71/534955271.db2.gz ZRXWBFXQHRSYLK-UHFFFAOYSA-N 1 1 422.595 2.742 50 0 HFAAMO CCC[C@H](C)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CC[NH+](C)CC1 ZINC000009750625 535597998 /nfs/dbraw/zinc/59/79/98/535597998.db2.gz UREUFPXYRSJHGR-KRWDZBQOSA-N 1 1 424.611 2.844 50 0 HFAAMO COc1cc(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(Br)c1O ZINC000001193468 557236989 /nfs/dbraw/zinc/23/69/89/557236989.db2.gz CFDBOLQTHZTVLZ-KGLIPLIRSA-N 1 1 405.292 2.944 50 0 HFAAMO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[NH+]3CCCC3)[C@H]2c2ccccc2)cc1 ZINC000004778639 557597405 /nfs/dbraw/zinc/59/74/05/557597405.db2.gz YRQFUIBQTIYAPA-JOCHJYFZSA-N 1 1 413.543 2.623 50 0 HFAAMO COc1cc(C[N@H+]2CCc3nnc(CCc4ccccc4)n3CC2)cc(OC)c1O ZINC000019745109 558265771 /nfs/dbraw/zinc/26/57/71/558265771.db2.gz FRAXZBZWBANRNC-UHFFFAOYSA-N 1 1 408.502 2.844 50 0 HFAAMO COc1cc(C[N@@H+]2CCc3nnc(CCc4ccccc4)n3CC2)cc(OC)c1O ZINC000019745109 558265774 /nfs/dbraw/zinc/26/57/74/558265774.db2.gz FRAXZBZWBANRNC-UHFFFAOYSA-N 1 1 408.502 2.844 50 0 HFAAMO CC1(C)[C@@H]2C[C@H]1C(C[N@@H+]1CCc3nnc(CCNC(=O)c4ccoc4)n3CC1)=CC2 ZINC000011788405 558276671 /nfs/dbraw/zinc/27/66/71/558276671.db2.gz SWWIPZORWPBDJM-OALUTQOASA-N 1 1 409.534 2.694 50 0 HFAAMO O=C(NCC1([NH+]2CCOCC2)CCCC1)c1cc(COc2cccc(F)c2)n[nH]1 ZINC000019770345 558279377 /nfs/dbraw/zinc/27/93/77/558279377.db2.gz DVKYEZNYWIAASX-UHFFFAOYSA-N 1 1 402.470 2.503 50 0 HFAAMO COCCCNC(=O)C1CC[NH+](C2CCN(CCCc3ccccc3)CC2)CC1 ZINC000011818351 558281543 /nfs/dbraw/zinc/28/15/43/558281543.db2.gz CJVZLKKIWBTLHP-UHFFFAOYSA-N 1 1 401.595 2.948 50 0 HFAAMO C[C@@H]1CN(C(=O)c2nc3ccc(Cl)cn3c2C[N@@H+](C)C2CCOCC2)C[C@H](C)O1 ZINC000011818960 558282082 /nfs/dbraw/zinc/28/20/82/558282082.db2.gz FREXCWHEPCHBED-GASCZTMLSA-N 1 1 420.941 2.848 50 0 HFAAMO Cc1csc(CN(C)C(=O)C[C@H]2C(=O)NCC[N@H+]2Cc2cccc3ccccc32)n1 ZINC000011841662 558287177 /nfs/dbraw/zinc/28/71/77/558287177.db2.gz DCVWIZGHMQDRHN-FQEVSTJZSA-N 1 1 422.554 2.954 50 0 HFAAMO Cc1csc(CN(C)C(=O)C[C@H]2C(=O)NCC[N@@H+]2Cc2cccc3ccccc32)n1 ZINC000011841662 558287178 /nfs/dbraw/zinc/28/71/78/558287178.db2.gz DCVWIZGHMQDRHN-FQEVSTJZSA-N 1 1 422.554 2.954 50 0 HFAAMO COC[C@@H]1CCCCN1C(=O)c1coc(CN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000019841039 558293890 /nfs/dbraw/zinc/29/38/90/558293890.db2.gz GSFYEBDKODTJSO-FQEVSTJZSA-N 1 1 412.534 2.634 50 0 HFAAMO CCn1cc(CNC(=O)[C@H]2CCC[N@H+](C3CCN(Cc4ccccc4)CC3)C2)cn1 ZINC000011933266 558297954 /nfs/dbraw/zinc/29/79/54/558297954.db2.gz FILXFYYEKCCXRN-QFIPXVFZSA-N 1 1 409.578 2.896 50 0 HFAAMO CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H]([N@@H+](C)CCc3ccccn3)C2)c1C ZINC000011937564 558301328 /nfs/dbraw/zinc/30/13/28/558301328.db2.gz UZTRXWXTYVYGIC-LJQANCHMSA-N 1 1 412.534 2.982 50 0 HFAAMO CN(C)c1ncc(C[N@@H+]2CCC[C@@H](CNS(=O)(=O)Cc3ccccc3)C2)s1 ZINC000012004112 558308667 /nfs/dbraw/zinc/30/86/67/558308667.db2.gz MYNPAANGRACJDE-KRWDZBQOSA-N 1 1 408.593 2.541 50 0 HFAAMO CN(C)c1ncc(C[N@H+]2CCC[C@@H](CNS(=O)(=O)Cc3ccccc3)C2)s1 ZINC000012004112 558308670 /nfs/dbraw/zinc/30/86/70/558308670.db2.gz MYNPAANGRACJDE-KRWDZBQOSA-N 1 1 408.593 2.541 50 0 HFAAMO Cc1cnc(CNCc2ccc(OC[C@H](O)C[N@H+](C)Cc3ccccc3)cc2)cn1 ZINC000012051366 558314156 /nfs/dbraw/zinc/31/41/56/558314156.db2.gz IMQUJJZIFWMHIX-HSZRJFAPSA-N 1 1 406.530 2.947 50 0 HFAAMO CN(C(=O)CCn1cnc2ccccc2c1=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000012053410 558314880 /nfs/dbraw/zinc/31/48/80/558314880.db2.gz CYEQUSAJYINJTH-NRFANRHFSA-N 1 1 418.541 2.952 50 0 HFAAMO Cc1ccc(F)cc1CNC(=O)[C@H]1CCC[N@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000012057684 558316660 /nfs/dbraw/zinc/31/66/60/558316660.db2.gz UFYDRJRVMXDCKE-SFHVURJKSA-N 1 1 401.526 2.863 50 0 HFAAMO CC[C@@H](C)C[N@@H+]1CCc2c(C(=O)N3CCc4ccccc4C3)c(OC)cc(=O)n2CC1 ZINC000012099178 558325593 /nfs/dbraw/zinc/32/55/93/558325593.db2.gz YDNHWLQREYOTIU-GOSISDBHSA-N 1 1 423.557 2.960 50 0 HFAAMO Cn1cc(/C=C(\NC(=O)c2ccccc2)C(=O)N2CC[NH+](C)CC2)c2ccccc21 ZINC000020083678 558331128 /nfs/dbraw/zinc/33/11/28/558331128.db2.gz JKCXWEPWIASAPG-PGMHBOJBSA-N 1 1 402.498 2.723 50 0 HFAAMO C[C@H]1CN(CC(=O)NCC2([NH+]3CCOCC3)CCCC2)Cc2cc(Cl)ccc2O1 ZINC000020136713 558337788 /nfs/dbraw/zinc/33/77/88/558337788.db2.gz PMMFHBWJTWTGNS-KRWDZBQOSA-N 1 1 421.969 2.684 50 0 HFAAMO C[C@H](NC(=O)C1CC1)c1nnc2n1CC[N@@H+](Cc1cccc(C(F)(F)F)c1)CC2 ZINC000020202037 558346098 /nfs/dbraw/zinc/34/60/98/558346098.db2.gz WHXRCAVIDMNPBX-ZDUSSCGKSA-N 1 1 407.440 2.942 50 0 HFAAMO C[C@H](NC(=O)C1CC1)c1nnc2n1CC[N@H+](Cc1cccc(C(F)(F)F)c1)CC2 ZINC000020202037 558346100 /nfs/dbraw/zinc/34/61/00/558346100.db2.gz WHXRCAVIDMNPBX-ZDUSSCGKSA-N 1 1 407.440 2.942 50 0 HFAAMO CSc1ccccc1OCc1cc(C(=O)NCC[N@H+]2CCCC[C@H]2CO)no1 ZINC000012303358 558372944 /nfs/dbraw/zinc/37/29/44/558372944.db2.gz RATYULYSXFFSRP-HNNXBMFYSA-N 1 1 405.520 2.552 50 0 HFAAMO COC(=O)c1ccc(-c2noc(C[NH+]3CCC([C@H](O)c4cccnc4)CC3)n2)cc1 ZINC000012308402 558376706 /nfs/dbraw/zinc/37/67/06/558376706.db2.gz YPDRAAOIGWHZIY-FQEVSTJZSA-N 1 1 408.458 2.864 50 0 HFAAMO COc1ccccc1OCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccc3nonc32)C1 ZINC000012314149 558377880 /nfs/dbraw/zinc/37/78/80/558377880.db2.gz CRVJAVGYCFLXGC-INIZCTEOSA-N 1 1 410.474 2.639 50 0 HFAAMO COCCN(CC1CC[NH+](Cc2ccccc2OC)CC1)C(=O)c1cc(C)[nH]n1 ZINC000012315217 558378591 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2.760 50 0 HFAAMO CCOC(=O)N1CCN([C@H]2CCC[N@H+](Cc3cc4c(cc3Cl)OCO4)C2)CC1 ZINC000020916447 558422743 /nfs/dbraw/zinc/42/27/43/558422743.db2.gz HTZNREHTAVBMFI-INIZCTEOSA-N 1 1 409.914 2.807 50 0 HFAAMO CCOC(=O)N1CCN([C@H]2CCC[N@@H+](Cc3cc4c(cc3Cl)OCO4)C2)CC1 ZINC000020916447 558422746 /nfs/dbraw/zinc/42/27/46/558422746.db2.gz HTZNREHTAVBMFI-INIZCTEOSA-N 1 1 409.914 2.807 50 0 HFAAMO O=C(C1=NNC(=O)CC1)N1CCC([C@H]2CC[N@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC000012760080 558460786 /nfs/dbraw/zinc/46/07/86/558460786.db2.gz YIPKDYJLAAVNSI-KRWDZBQOSA-N 1 1 402.926 2.667 50 0 HFAAMO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)Nc1c(Cl)cccc1Cl ZINC000022198808 558466337 /nfs/dbraw/zinc/46/63/37/558466337.db2.gz FVIMSJQCTXOFLT-HNNXBMFYSA-N 1 1 400.306 2.645 50 0 HFAAMO CCOC(=O)N1CC[NH+](CCC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000012971843 558488999 /nfs/dbraw/zinc/48/89/99/558488999.db2.gz PBWNVLQZBZFLBN-UHFFFAOYSA-N 1 1 402.264 2.691 50 0 HFAAMO O=C(COc1ccc(Br)cc1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000012994859 558498144 /nfs/dbraw/zinc/49/81/44/558498144.db2.gz KCZRSFMZKOCJNY-UHFFFAOYSA-N 1 1 419.319 2.977 50 0 HFAAMO O=C(CN1CC[NH+](CCOc2ccccc2)CC1)Nc1ccccc1N1CCCC1 ZINC000022799383 558512738 /nfs/dbraw/zinc/51/27/38/558512738.db2.gz CXSLBCJFVGBPRY-UHFFFAOYSA-N 1 1 408.546 2.922 50 0 HFAAMO COc1cccc(C[N@@H+]2CCN(Cc3ccc(OC)c(OC)c3)C[C@@H]2CCO)c1 ZINC000022852418 558516852 /nfs/dbraw/zinc/51/68/52/558516852.db2.gz UVRSFFLPACHPEJ-FQEVSTJZSA-N 1 1 400.519 2.781 50 0 HFAAMO COc1cccc(C[N@H+]2CCN(Cc3ccc(OC)c(OC)c3)C[C@@H]2CCO)c1 ZINC000022852418 558516853 /nfs/dbraw/zinc/51/68/53/558516853.db2.gz UVRSFFLPACHPEJ-FQEVSTJZSA-N 1 1 400.519 2.781 50 0 HFAAMO COc1cc(CCC(=O)NCC[NH+]2CCN(c3cccc(C)c3)CC2)cc(OC)c1 ZINC000023194458 558541891 /nfs/dbraw/zinc/54/18/91/558541891.db2.gz IFUQABXCHYKZOD-UHFFFAOYSA-N 1 1 411.546 2.883 50 0 HFAAMO CCC[C@H]1NC(=O)N(CN2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)C1=O ZINC000023256918 558546462 /nfs/dbraw/zinc/54/64/62/558546462.db2.gz IJWLCUOKSPWAKC-QGZVFWFLSA-N 1 1 412.456 2.891 50 0 HFAAMO COc1ccc(C[N@H+]2CCN(Cc3ccc(O)c(OC)c3)C[C@@H]2CCO)cc1C ZINC000023373395 558553624 /nfs/dbraw/zinc/55/36/24/558553624.db2.gz SPYPDQOXFBCYJE-FQEVSTJZSA-N 1 1 400.519 2.787 50 0 HFAAMO CN(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)Cc1nc(-c2ccsc2)no1 ZINC000023865334 558578453 /nfs/dbraw/zinc/57/84/53/558578453.db2.gz AQONLRFEMWQCAG-UHFFFAOYSA-N 1 1 411.531 2.574 50 0 HFAAMO COc1ccc(C[N@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)C2CC2)cc1 ZINC000014019756 558614157 /nfs/dbraw/zinc/61/41/57/558614157.db2.gz UHSQCZDSSAQWGN-UHFFFAOYSA-N 1 1 413.543 2.706 50 0 HFAAMO COc1ccc(C[N@@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)C2CC2)cc1 ZINC000014019756 558614159 /nfs/dbraw/zinc/61/41/59/558614159.db2.gz UHSQCZDSSAQWGN-UHFFFAOYSA-N 1 1 413.543 2.706 50 0 HFAAMO CC(C)[C@H](CNC(=O)c1cccc(S(C)(=O)=O)c1)[N@@H+]1CCc2ccccc2C1 ZINC000025535402 558642883 /nfs/dbraw/zinc/64/28/83/558642883.db2.gz SHEVOHKZZLEYBS-NRFANRHFSA-N 1 1 400.544 2.903 50 0 HFAAMO CC(C)[C@H](CNC(=O)c1cccc(S(C)(=O)=O)c1)[N@H+]1CCc2ccccc2C1 ZINC000025535402 558642888 /nfs/dbraw/zinc/64/28/88/558642888.db2.gz SHEVOHKZZLEYBS-NRFANRHFSA-N 1 1 400.544 2.903 50 0 HFAAMO Cc1cccc(C)c1NC(=O)CN(C)C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000026303913 558658865 /nfs/dbraw/zinc/65/88/65/558658865.db2.gz FPPJLQGXJYZYAT-LJQANCHMSA-N 1 1 404.555 2.630 50 0 HFAAMO O=C1CCCN1c1ccc(S(=O)(=O)NCCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000026833044 558665611 /nfs/dbraw/zinc/66/56/11/558665611.db2.gz REZBTRYTNZEMAT-UHFFFAOYSA-N 1 1 413.543 2.540 50 0 HFAAMO CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H]([N@H+](C)Cc1cscn1)C2 ZINC000014740593 558666710 /nfs/dbraw/zinc/66/67/10/558666710.db2.gz SISNXWLNHAXMJY-OAHLLOKOSA-N 1 1 405.593 2.538 50 0 HFAAMO CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H]([N@@H+](C)Cc1cscn1)C2 ZINC000014740593 558666715 /nfs/dbraw/zinc/66/67/15/558666715.db2.gz SISNXWLNHAXMJY-OAHLLOKOSA-N 1 1 405.593 2.538 50 0 HFAAMO COc1cccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)C(=O)c4ccco4)C3)C2)c1OC ZINC000014959874 558683690 /nfs/dbraw/zinc/68/36/90/558683690.db2.gz QFUPBUDVEXEQNM-QHCPKHFHSA-N 1 1 412.486 2.994 50 0 HFAAMO COc1cccc(C[N@H+]2CCC[C@]3(CCN(C(=O)C(=O)c4ccco4)C3)C2)c1OC ZINC000014959874 558683691 /nfs/dbraw/zinc/68/36/91/558683691.db2.gz QFUPBUDVEXEQNM-QHCPKHFHSA-N 1 1 412.486 2.994 50 0 HFAAMO CCC[N@@H+]1CCc2nnc([C@@H](CC(C)C)NC(=O)c3ccc(COC)o3)n2CC1 ZINC000014969356 558686876 /nfs/dbraw/zinc/68/68/76/558686876.db2.gz RNRFGYGHCJLBOY-QGZVFWFLSA-N 1 1 403.527 2.803 50 0 HFAAMO Cc1nc(N2CCCC2)cc(N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)[nH+]1 ZINC000015671272 558748557 /nfs/dbraw/zinc/74/85/57/558748557.db2.gz DSRVBNXUJIFXJW-UHFFFAOYSA-N 1 1 421.954 2.550 50 0 HFAAMO NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000016037820 558769650 /nfs/dbraw/zinc/76/96/50/558769650.db2.gz QTZIGUHAPDAKFP-CBPXPLCBSA-N 1 1 409.445 2.841 50 0 HFAAMO NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000016037820 558769654 /nfs/dbraw/zinc/76/96/54/558769654.db2.gz QTZIGUHAPDAKFP-CBPXPLCBSA-N 1 1 409.445 2.841 50 0 HFAAMO CC(C)(C)OC(=O)N1CC[C@@H](C(=O)OCCN2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000072310701 558777895 /nfs/dbraw/zinc/77/78/95/558777895.db2.gz GTLKILDOXNCPPN-GOSISDBHSA-N 1 1 423.579 2.666 50 0 HFAAMO CCn1ncc(CN2CC[N@@H+](Cc3ccc(OC)c(C)c3C)[C@H](CCO)C2)c1C ZINC000038149377 558811009 /nfs/dbraw/zinc/81/10/09/558811009.db2.gz QNXUMGVJSSUNNF-JOCHJYFZSA-N 1 1 400.567 2.906 50 0 HFAAMO CCc1nnc(C(=O)Nc2cccc(C(=O)NCC[N@H+]3CCCC[C@@H]3C)c2)s1 ZINC000033022463 558837531 /nfs/dbraw/zinc/83/75/31/558837531.db2.gz UKTCFTJWGKFTLD-AWEZNQCLSA-N 1 1 401.536 2.957 50 0 HFAAMO CC(C)C(=O)N1C[C@@H](c2cccc(C(F)(F)F)c2)[C@H](C(=O)N2CC[NH+](C)CC2)C1 ZINC000097954298 558865619 /nfs/dbraw/zinc/86/56/19/558865619.db2.gz DGWLOEFTGZKOAE-ZWKOTPCHSA-N 1 1 411.468 2.677 50 0 HFAAMO O=c1ccc2cc(S(=O)(=O)NCC[N@@H+](Cc3ccco3)C3CCCC3)ccc2[nH]1 ZINC000033077196 558868675 /nfs/dbraw/zinc/86/86/75/558868675.db2.gz TVFJFPMHNYBPOY-UHFFFAOYSA-N 1 1 415.515 2.844 50 0 HFAAMO Cc1cc(OC[C@H](O)C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)ccc1Cl ZINC000019363100 558876606 /nfs/dbraw/zinc/87/66/06/558876606.db2.gz GVDQCPYQKSHJSN-GOSISDBHSA-N 1 1 418.921 2.935 50 0 HFAAMO CC(C)Cn1cncc1CN1CCC([N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071405750 558897656 /nfs/dbraw/zinc/89/76/56/558897656.db2.gz VOTBBBCARCKTJB-HXUWFJFHSA-N 1 1 401.599 2.838 50 0 HFAAMO Cc1nc(-c2ccccn2)sc1C(=O)NCc1ccc(N2CCC[N@H+](C)CC2)nc1 ZINC000058101417 558898917 /nfs/dbraw/zinc/89/89/17/558898917.db2.gz MTXBAALGHPORPO-UHFFFAOYSA-N 1 1 422.558 2.980 50 0 HFAAMO O=C(c1cncc(Cl)c1)N1CCC([N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000071575501 558905569 /nfs/dbraw/zinc/90/55/69/558905569.db2.gz LMJYIYDBNJPVIP-INIZCTEOSA-N 1 1 404.942 2.674 50 0 HFAAMO COc1cc(-c2ccccc2)sc1C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000058213273 558912201 /nfs/dbraw/zinc/91/22/01/558912201.db2.gz FWYGNXLKTSESSD-INIZCTEOSA-N 1 1 401.532 2.741 50 0 HFAAMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)CCCn2cncn2)Cc2ccccc2C1 ZINC000019534925 558913516 /nfs/dbraw/zinc/91/35/16/558913516.db2.gz IXHHCDIBMWYGRL-UHFFFAOYSA-N 1 1 403.530 2.844 50 0 HFAAMO Cc1ccc(S(=O)(=O)N2CCCN(C(=O)C[NH+]3CCCCC3)[C@H]2C(C)C)cc1 ZINC000004721890 558925402 /nfs/dbraw/zinc/92/54/02/558925402.db2.gz QWMOTHREDGSTJF-OAQYLSRUSA-N 1 1 407.580 2.686 50 0 HFAAMO CCn1c2ccccc2nc(SCC(=O)NCCC[N@H+]2CCCC[C@H]2C)c1=O ZINC000033259817 558928596 /nfs/dbraw/zinc/92/85/96/558928596.db2.gz RXNRBRAEAVUIOQ-MRXNPFEDSA-N 1 1 402.564 2.889 50 0 HFAAMO Cc1c(C(=O)NC2CCCC2)sc2ncnc(NCCC[NH+]3CCOCC3)c12 ZINC000019607466 558946631 /nfs/dbraw/zinc/94/66/31/558946631.db2.gz QHGFKYMRJSQYCW-UHFFFAOYSA-N 1 1 403.552 2.806 50 0 HFAAMO C[NH+]1CCN(c2nc3ccc(NC(=O)[C@@H]4COc5ccccc5O4)cc3s2)CC1 ZINC000023135850 559018747 /nfs/dbraw/zinc/01/87/47/559018747.db2.gz WXBQZFLYUCCLDF-SFHVURJKSA-N 1 1 410.499 2.827 50 0 HFAAMO Cc1nccnc1N1CCC([N@H+]2CCC[C@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000082096175 559037351 /nfs/dbraw/zinc/03/73/51/559037351.db2.gz MREDYNSHDMYAHB-NRFANRHFSA-N 1 1 407.562 2.825 50 0 HFAAMO CCCN(CCO)C(=O)[C@@H]1CCC[N@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000082097052 559037518 /nfs/dbraw/zinc/03/75/18/559037518.db2.gz STNBDKBABWLLTD-GOSISDBHSA-N 1 1 414.550 2.740 50 0 HFAAMO Cc1ccc(N2CCC([N@H+]3CCC[C@@H](C(=O)NCCc4ccccc4)C3)CC2)nn1 ZINC000082099457 559037855 /nfs/dbraw/zinc/03/78/55/559037855.db2.gz SHFWCUGPJGFVTM-OAQYLSRUSA-N 1 1 407.562 2.825 50 0 HFAAMO O=C(NCCc1ccccc1)[C@@H]1CCC[N@H+](C2CCN(C(=O)N3CCCC3)CC2)C1 ZINC000082107997 559038403 /nfs/dbraw/zinc/03/84/03/559038403.db2.gz QXAUABNZCHPPBB-OAQYLSRUSA-N 1 1 412.578 2.738 50 0 HFAAMO CN(Cc1ccccn1)C(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000082116297 559039200 /nfs/dbraw/zinc/03/92/00/559039200.db2.gz WSCWVAZIYJKNQV-OAQYLSRUSA-N 1 1 407.562 2.812 50 0 HFAAMO O=C(NCC1(O)CCCCC1)[C@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082121419 559039584 /nfs/dbraw/zinc/03/95/84/559039584.db2.gz LIUHDRGKAIEBMS-NRFANRHFSA-N 1 1 414.594 2.569 50 0 HFAAMO CC(C)(C)CC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082125768 559039740 /nfs/dbraw/zinc/03/97/40/559039740.db2.gz PUQQFYWBGFFQJG-GOSISDBHSA-N 1 1 400.567 2.837 50 0 HFAAMO Cc1cccc(CN2CCC([N@H+]3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)n1 ZINC000082138580 559040632 /nfs/dbraw/zinc/04/06/32/559040632.db2.gz NBAZEBQTIGAXEM-HXUWFJFHSA-N 1 1 407.562 2.778 50 0 HFAAMO CN(Cc1nccs1)C(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000082156771 559041401 /nfs/dbraw/zinc/04/14/01/559041401.db2.gz WZWKKWOAWPIJJI-LJQANCHMSA-N 1 1 413.591 2.873 50 0 HFAAMO O=C(C(=O)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1)c1ccccc1 ZINC000095388000 559080643 /nfs/dbraw/zinc/08/06/43/559080643.db2.gz XXMFEGBRVWCZKZ-VLCRHTCISA-N 1 1 404.466 2.687 50 0 HFAAMO CC[C@H]1CCCC[N@@H+]1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCc1ccccc1 ZINC000004930568 559209608 /nfs/dbraw/zinc/20/96/08/559209608.db2.gz UEUXGKMHLBHOJZ-IBGZPJMESA-N 1 1 423.561 2.831 50 0 HFAAMO CC[C@H]1CCCC[N@H+]1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCc1ccccc1 ZINC000004930568 559209609 /nfs/dbraw/zinc/20/96/09/559209609.db2.gz UEUXGKMHLBHOJZ-IBGZPJMESA-N 1 1 423.561 2.831 50 0 HFAAMO COc1cc2c(cc1OC)C[N@H+](Cc1coc(=O)c(C[NH+]3CCCCC3)c1[O-])CC2 ZINC000100797115 559268165 /nfs/dbraw/zinc/26/81/65/559268165.db2.gz JRYMQDYTPCYGTP-UHFFFAOYSA-N 1 1 414.502 2.907 50 0 biogenic HFAAMO COc1cc2c(cc1OC)C[N@@H+](Cc1coc(=O)c(C[NH+]3CCCCC3)c1[O-])CC2 ZINC000100797115 559268166 /nfs/dbraw/zinc/26/81/66/559268166.db2.gz JRYMQDYTPCYGTP-UHFFFAOYSA-N 1 1 414.502 2.907 50 0 biogenic HFAAMO Cc1cccc(C[NH+]2CCN(C(=O)CN(C)CC(=O)Nc3cccc(C)c3C)CC2)c1 ZINC000024295234 559282084 /nfs/dbraw/zinc/28/20/84/559282084.db2.gz PZOUHRNCUZOIOE-UHFFFAOYSA-N 1 1 422.573 2.827 50 0 HFAAMO COCCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)c1cnn(C)c1-n1cccc1 ZINC000409415020 560723456 /nfs/dbraw/zinc/72/34/56/560723456.db2.gz RGZYSWNNGTWUCA-PZJWPPBQSA-N 1 1 413.566 2.954 50 0 biogenic HFAAMO O=C1C[C@@H]([N@@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)C(=O)N1c1ccccc1 ZINC000102616541 560818155 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50 0 HFAAMO C[C@H](CNC(=O)Nc1cccc(Cn2cccnc2=O)c1)[N@@H+]1CCc2sccc2C1 ZINC000048331729 568439855 /nfs/dbraw/zinc/43/98/55/568439855.db2.gz CFXBDOMMTHZYGR-MRXNPFEDSA-N 1 1 423.542 2.921 50 0 HFAAMO C[C@H](CNC(=O)Nc1cccc(Cn2cccnc2=O)c1)[N@H+]1CCc2sccc2C1 ZINC000048331729 568439856 /nfs/dbraw/zinc/43/98/56/568439856.db2.gz CFXBDOMMTHZYGR-MRXNPFEDSA-N 1 1 423.542 2.921 50 0 HFAAMO C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)C2CCN(C(=O)C3CC3)CC2)C[C@@H](C)O1 ZINC000048361312 568441236 /nfs/dbraw/zinc/44/12/36/568441236.db2.gz XYQSEWOBJICULW-QZTJIDSGSA-N 1 1 413.562 2.561 50 0 HFAAMO Cc1cccc(CNC(=O)Cn2c(C)nc3c(c2=O)C[N@@H+](Cc2ccccc2)CC3)c1 ZINC000049400862 568447542 /nfs/dbraw/zinc/44/75/42/568447542.db2.gz YRHRSWYQEYIRCZ-UHFFFAOYSA-N 1 1 416.525 2.735 50 0 HFAAMO CCn1c2ccccc2nc(SCC(=O)NCCC[N@H+]2CCC[C@H](C)C2)c1=O ZINC000033259829 568512828 /nfs/dbraw/zinc/51/28/28/568512828.db2.gz QVCFTFYLQHTODW-INIZCTEOSA-N 1 1 402.564 2.747 50 0 HFAAMO CC(C)CNC(=O)c1ccc(NC(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)cc1Cl 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/nfs/dbraw/zinc/63/42/55/568634255.db2.gz DHGFZHXIBKXDCP-UFYCRDLUSA-N 1 1 412.534 2.721 50 0 HFAAMO O=C(Nc1ncc(Cc2ccccc2Cl)s1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000095985784 568676247 /nfs/dbraw/zinc/67/62/47/568676247.db2.gz NCSYVHGMIFYZLA-CYBMUJFWSA-N 1 1 404.923 2.679 50 0 HFAAMO COc1ccccc1CN(C)C(=O)C[N@H+]1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000095995468 568678577 /nfs/dbraw/zinc/67/85/77/568678577.db2.gz MQXJSIPYOYMMMI-DLBZAZTESA-N 1 1 405.539 2.889 50 0 HFAAMO CC(C)[NH+]1CCN(C(=O)c2csc(N3CCN(c4ccc(F)cc4)CC3)n2)CC1 ZINC000096386457 568743032 /nfs/dbraw/zinc/74/30/32/568743032.db2.gz KZHAKSFHPMJZLU-UHFFFAOYSA-N 1 1 417.554 2.775 50 0 HFAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)COCc2cc(-c3ccc4c(c3)OCO4)on2)C1 ZINC000021868243 568755894 /nfs/dbraw/zinc/75/58/94/568755894.db2.gz ALCNZSMXTJTRDO-INIZCTEOSA-N 1 1 415.490 2.825 50 0 HFAAMO C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3cccnc3N3CCOCC3)cc2)C[C@H](C)O1 ZINC000056164470 568790428 /nfs/dbraw/zinc/79/04/28/568790428.db2.gz CBIUBENENVUSRW-ROUUACIJSA-N 1 1 410.518 2.780 50 0 HFAAMO CC[NH+]1CCC(N(C(=O)CCS(=O)(=O)c2ccc3c(c2)CCC3)C2CC2)CC1 ZINC000057372159 568830160 /nfs/dbraw/zinc/83/01/60/568830160.db2.gz XIXSGFYZDOXGIW-UHFFFAOYSA-N 1 1 404.576 2.814 50 0 HFAAMO COc1ccc2c(c1)N1CC[N@H+](Cc3ccc(F)cc3)C[C@H]1[C@H](C(=O)NC1CC1)C2 ZINC000230129001 568849587 /nfs/dbraw/zinc/84/95/87/568849587.db2.gz PYTYLAWISNEDST-GGAORHGYSA-N 1 1 409.505 2.976 50 0 HFAAMO O=C(NC[C@@H]([C@H]1CCOC1)[NH+]1CCOCC1)Nc1ccccc1N1CCCCCC1 ZINC000057914607 568867645 /nfs/dbraw/zinc/86/76/45/568867645.db2.gz UDKKHCUXBMLPTI-UGKGYDQZSA-N 1 1 416.566 2.926 50 0 HFAAMO CCCC[N@@H+](CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)CC)C1)Cc1ccccc1 ZINC000004034563 568879238 /nfs/dbraw/zinc/87/92/38/568879238.db2.gz SXNNKZCMZXPEDV-OAQYLSRUSA-N 1 1 423.623 2.857 50 0 HFAAMO Cc1cccc(C2N=NC(=S)N2CC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000012742299 568929434 /nfs/dbraw/zinc/92/94/34/568929434.db2.gz XSNNJEVCOVJOGX-IBGZPJMESA-N 1 1 407.543 2.933 50 0 HFAAMO Cc1[nH+]ccn1Cc1ccc(NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)cc1 ZINC000084290917 568945566 /nfs/dbraw/zinc/94/55/66/568945566.db2.gz QNURXPKUZOPSMB-BJLQDIEVSA-N 1 1 413.547 2.904 50 0 HFAAMO CCOC(=O)c1sc2nc(C)nc(NC[C@H](C)[NH+]3CCN(CC)CC3)c2c1C ZINC000059389336 568952932 /nfs/dbraw/zinc/95/29/32/568952932.db2.gz VJBVVKOTRYRPKC-ZDUSSCGKSA-N 1 1 405.568 2.923 50 0 HFAAMO C[C@H]1CSc2ccc(S(=O)(=O)N3CC[NH+](C4CCCC4)CC3)cc2NC1=O ZINC000015730840 568981279 /nfs/dbraw/zinc/98/12/79/568981279.db2.gz SVBZTQLTIGNSEL-AWEZNQCLSA-N 1 1 409.577 2.616 50 0 HFAAMO O=C(C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000008192821 568981794 /nfs/dbraw/zinc/98/17/94/568981794.db2.gz ZNJMMAHBSBVGRR-ZWKOTPCHSA-N 1 1 405.564 2.922 50 0 HFAAMO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cc(=O)n3ccsc3n2)cc1 ZINC000008266013 568985930 /nfs/dbraw/zinc/98/59/30/568985930.db2.gz RMOWJNXLIYNZLV-AWEZNQCLSA-N 1 1 420.560 2.637 50 0 HFAAMO COc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1OC 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/nfs/dbraw/zinc/04/07/34/569040734.db2.gz DKYMURWGBMPBJE-OAQYLSRUSA-N 1 1 419.533 2.768 50 0 HFAAMO C[N@@H+]1CCN(CCCNC(=O)Nc2cccnc2-n2cccn2)[C@@H](c2ccccc2)C1 ZINC000229753921 569040735 /nfs/dbraw/zinc/04/07/35/569040735.db2.gz DKYMURWGBMPBJE-OAQYLSRUSA-N 1 1 419.533 2.768 50 0 HFAAMO C[N@H+]1CCN(CCCNC(=O)Nc2cccnc2-n2cccn2)[C@@H](c2ccccc2)C1 ZINC000229753921 569040736 /nfs/dbraw/zinc/04/07/36/569040736.db2.gz DKYMURWGBMPBJE-OAQYLSRUSA-N 1 1 419.533 2.768 50 0 HFAAMO CS(=O)(=O)c1ccc([C@H](O)C[N@H+]2CCC[C@H]2CN2CCc3ccccc32)cc1 ZINC000241644201 569054756 /nfs/dbraw/zinc/05/47/56/569054756.db2.gz PPCWEIHRWDYWNC-SIKLNZKXSA-N 1 1 400.544 2.651 50 0 HFAAMO Cc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000248337483 569057648 /nfs/dbraw/zinc/05/76/48/569057648.db2.gz QAJZBSFVLUGAKL-YDSTWLSQSA-N 1 1 405.429 2.565 50 0 HFAAMO COc1ccc(C[N@@H+](CCN2CCOCC2)C[C@H](O)COc2ccccc2C)cc1 ZINC000036102069 569091695 /nfs/dbraw/zinc/09/16/95/569091695.db2.gz 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HFAAMO CCC[N@H+](Cc1nc(=O)c2c(-c3ccc(OC)cc3)csc2[nH]1)C[C@H](O)COC ZINC000036207873 569109590 /nfs/dbraw/zinc/10/95/90/569109590.db2.gz IHPAXPXNFWUQKJ-HNNXBMFYSA-N 1 1 417.531 2.880 50 0 HFAAMO COc1ccc([C@@H](CNS(=O)(=O)c2ccc(NC(C)=O)cc2)[NH+]2CCCC2)cc1 ZINC000006784485 569121015 /nfs/dbraw/zinc/12/10/15/569121015.db2.gz NCRZRRSWNRMTKT-OAQYLSRUSA-N 1 1 417.531 2.769 50 0 HFAAMO NC(=O)C1CC[NH+](CC(=O)N2N=C(c3ccc(F)cc3)C[C@H]2c2ccccc2)CC1 ZINC000036342366 569142182 /nfs/dbraw/zinc/14/21/82/569142182.db2.gz WTICOGZKRFPXGO-NRFANRHFSA-N 1 1 408.477 2.701 50 0 HFAAMO CN1CC[NH+](CCCNC(=O)c2ccc(-c3noc(-c4ccccc4)n3)s2)CC1 ZINC000065063020 569166892 /nfs/dbraw/zinc/16/68/92/569166892.db2.gz XCMATCUGAODSOH-UHFFFAOYSA-N 1 1 411.531 2.832 50 0 HFAAMO C[C@@H]1C[N@H+](CCCNC(=O)c2nccnc2-c2nc3ccccc3s2)C[C@H](C)O1 ZINC000036397991 569171246 /nfs/dbraw/zinc/17/12/46/569171246.db2.gz WLMGFDQVJWDJTQ-GASCZTMLSA-N 1 1 411.531 2.982 50 0 HFAAMO CC[NH+]1CCN(C(=O)c2cc3n(n2)C[C@@H](c2ccc(Br)cc2)OC3)CC1 ZINC000169776489 569173224 /nfs/dbraw/zinc/17/32/24/569173224.db2.gz XXZINCMPIMWESI-SFHVURJKSA-N 1 1 419.323 2.695 50 0 HFAAMO CCc1nc2c(c(=O)n1CC(=O)NCc1ccccc1)C[N@@H+](Cc1ccccc1)CC2 ZINC000065153487 569187503 /nfs/dbraw/zinc/18/75/03/569187503.db2.gz FPJXHFMTMRAXHV-UHFFFAOYSA-N 1 1 416.525 2.680 50 0 HFAAMO CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000007006884 569199796 /nfs/dbraw/zinc/19/97/96/569199796.db2.gz FDTCJSSQFNQLSZ-UHFFFAOYSA-N 1 1 419.547 2.535 50 0 HFAAMO Cc1scc2nc(C(=O)NCC[N@H+](C)C3CCCCC3)nc(N3CCOCC3)c12 ZINC000065283341 569216455 /nfs/dbraw/zinc/21/64/55/569216455.db2.gz TYDHMWMLKBTOLT-UHFFFAOYSA-N 1 1 417.579 2.831 50 0 HFAAMO CC[C@]1([NH+]2CCN(C(=O)Nc3ccc(Cl)cc3C)CC2)CCN(C(=O)NC)C1 ZINC000065292079 569217863 /nfs/dbraw/zinc/21/78/63/569217863.db2.gz KLFNQHHSNCTMEK-FQEVSTJZSA-N 1 1 407.946 2.992 50 0 HFAAMO Cc1oc2c(c1C(=O)NCCCN1CCOCC1)C[N@@H+](Cc1ccc(C)cc1)CC2 ZINC000065289672 569218081 /nfs/dbraw/zinc/21/80/81/569218081.db2.gz KVLKJIYFILTELK-UHFFFAOYSA-N 1 1 411.546 2.907 50 0 HFAAMO Cc1oc2c(c1C(=O)NCCCN1CCOCC1)C[N@H+](Cc1ccc(C)cc1)CC2 ZINC000065289672 569218083 /nfs/dbraw/zinc/21/80/83/569218083.db2.gz KVLKJIYFILTELK-UHFFFAOYSA-N 1 1 411.546 2.907 50 0 HFAAMO Cc1oc2ncn(CC(C)C)c(=O)c2c1C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000065329679 569224855 /nfs/dbraw/zinc/22/48/55/569224855.db2.gz BGYFJLFDTWNHTN-UHFFFAOYSA-N 1 1 408.502 2.742 50 0 HFAAMO Cc1oc2ncn(CC(C)C)c(=O)c2c1C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000065329679 569224857 /nfs/dbraw/zinc/22/48/57/569224857.db2.gz BGYFJLFDTWNHTN-UHFFFAOYSA-N 1 1 408.502 2.742 50 0 HFAAMO C[C@H]1CCCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000007486452 569240949 /nfs/dbraw/zinc/24/09/49/569240949.db2.gz KEDCOBLAHOOKIM-SFHVURJKSA-N 1 1 415.559 2.547 50 0 HFAAMO CC[C@@H]1CN(C(=O)Nc2ccc(C(N)=O)c(Cl)c2)[C@@H](CC)C[N@H+]1CC(C)(C)O ZINC000170613514 569246944 /nfs/dbraw/zinc/24/69/44/569246944.db2.gz NLYBRWCUVSFPIP-CABCVRRESA-N 1 1 410.946 2.917 50 0 HFAAMO CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccccc3F)C(=O)[C@H]1[C@H]1CCC[N@H+]12 ZINC000249691990 569255475 /nfs/dbraw/zinc/25/54/75/569255475.db2.gz MEEKKTRFOXYBCC-XUJKJYMVSA-N 1 1 419.456 2.671 50 0 HFAAMO Cc1cc2oc(=O)cc(C[N@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)c2cc1Cl ZINC000014333861 569259665 /nfs/dbraw/zinc/25/96/65/569259665.db2.gz SMBXVLUULIAVSK-OAHLLOKOSA-N 1 1 404.894 2.826 50 0 HFAAMO C[N@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccc(-n2ccnc2)cc1 ZINC000014914171 569285275 /nfs/dbraw/zinc/28/52/75/569285275.db2.gz JDFIXDAYZMCKNJ-UHFFFAOYSA-N 1 1 405.502 2.779 50 0 HFAAMO C[N@@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccc(-n2ccnc2)cc1 ZINC000014914171 569285277 /nfs/dbraw/zinc/28/52/77/569285277.db2.gz JDFIXDAYZMCKNJ-UHFFFAOYSA-N 1 1 405.502 2.779 50 0 HFAAMO CC(C)C(=O)O[C@@H](COc1ccccc1)C[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000002139913 569287716 /nfs/dbraw/zinc/28/77/16/569287716.db2.gz QYMKFWVUVMQBDX-QKNQBKEWSA-N 1 1 410.514 2.914 50 0 biogenic HFAAMO CCOC(=O)c1sc(NC(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)c(C(=O)OCC)c1C ZINC000252476980 569288430 /nfs/dbraw/zinc/28/84/30/569288430.db2.gz FYYXKKLOKNZOFL-NWDGAFQWSA-N 1 1 411.524 2.966 50 0 HFAAMO CC[C@H]1C[N@@H+](CC(C)(C)O)[C@@H](CC)CN1C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000252533101 569292738 /nfs/dbraw/zinc/29/27/38/569292738.db2.gz FVMMINMOUJMXMZ-KBPBESRZSA-N 1 1 405.465 2.923 50 0 HFAAMO Cc1cc(C(=O)N2CCC3(CC2)C[C@H]([NH+]2CCN(c4ccccc4)CC2)CCO3)n[nH]1 ZINC000581819709 569320712 /nfs/dbraw/zinc/32/07/12/569320712.db2.gz CZKGXOHLHIZNKV-OAQYLSRUSA-N 1 1 423.561 2.694 50 0 HFAAMO C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)Nc2cc3c(cc2Cl)NC(=O)CO3)C[C@H](C)O1 ZINC000106150503 569372549 /nfs/dbraw/zinc/37/25/49/569372549.db2.gz PIHHFKPBDVTWFW-HZSPNIEDSA-N 1 1 422.913 2.776 50 0 HFAAMO C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)Nc2cc3c(cc2Cl)NC(=O)CO3)C[C@H](C)O1 ZINC000106150503 569372550 /nfs/dbraw/zinc/37/25/50/569372550.db2.gz PIHHFKPBDVTWFW-HZSPNIEDSA-N 1 1 422.913 2.776 50 0 HFAAMO CC(C)Oc1ccc2nnc(CCCC(=O)NC[C@H]3CCC[N@H+]4CCCC[C@H]34)n2n1 ZINC000225408943 569393991 /nfs/dbraw/zinc/39/39/91/569393991.db2.gz UTZHZDDMODZSPY-QZTJIDSGSA-N 1 1 414.554 2.615 50 0 biogenic HFAAMO O=C(CSc1nnnn1C1CCCCC1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000027811634 569396713 /nfs/dbraw/zinc/39/67/13/569396713.db2.gz QYDDIZSLOLTAFC-KRWDZBQOSA-N 1 1 400.552 2.661 50 0 HFAAMO Cc1cccc(N2CC[N@H+](CCCNc3nn4nnnc4c4ccccc43)C[C@@H]2C)c1 ZINC000013364321 569412128 /nfs/dbraw/zinc/41/21/28/569412128.db2.gz BNGSWBMWGUADEK-SFHVURJKSA-N 1 1 416.533 2.994 50 0 HFAAMO COc1ccccc1-c1cc(C(=O)N2CC[NH+](CCn3c(C)ccc3C)CC2)[nH]n1 ZINC000013366665 569412380 /nfs/dbraw/zinc/41/23/80/569412380.db2.gz ZTVRUKZLOGFXEW-UHFFFAOYSA-N 1 1 407.518 2.962 50 0 HFAAMO CC(C)[C@@H](C(=O)N1CCCN(Cc2ccccc2F)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000078724119 569419926 /nfs/dbraw/zinc/41/99/26/569419926.db2.gz ZNLVZJQOPNANHU-JQVVWYNYSA-N 1 1 405.558 2.994 50 0 HFAAMO CC(C)[C@@H](C(=O)N1CCCN(Cc2ccccc2F)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000078724119 569419928 /nfs/dbraw/zinc/41/99/28/569419928.db2.gz ZNLVZJQOPNANHU-JQVVWYNYSA-N 1 1 405.558 2.994 50 0 HFAAMO COc1ccc(C[N@@H+]2CCCN(S(=O)(=O)c3ccc4c(c3)N(C)CC4)CC2)cc1 ZINC000079055922 569425930 /nfs/dbraw/zinc/42/59/30/569425930.db2.gz SUSPHQQXIGUJPJ-UHFFFAOYSA-N 1 1 415.559 2.584 50 0 HFAAMO COc1ccc(C[N@H+]2CCCN(S(=O)(=O)c3ccc4c(c3)N(C)CC4)CC2)cc1 ZINC000079055922 569425931 /nfs/dbraw/zinc/42/59/31/569425931.db2.gz SUSPHQQXIGUJPJ-UHFFFAOYSA-N 1 1 415.559 2.584 50 0 HFAAMO CC(=O)c1cccc(NC(=O)[C@H](C)NC(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000079475094 569431366 /nfs/dbraw/zinc/43/13/66/569431366.db2.gz SILZUYQNUQFMEG-KRWDZBQOSA-N 1 1 408.502 2.744 50 0 HFAAMO CCOC(=O)C1=C(C[NH+]2CCCC2)NC(=O)N[C@@H]1c1cccc(Br)c1 ZINC000067286145 571064691 /nfs/dbraw/zinc/06/46/91/571064691.db2.gz XRFDOVDEDNBWBG-MRXNPFEDSA-N 1 1 408.296 2.716 50 0 HFAAMO CCOC(=O)C1C(C[NH+]2CCCC2)=NC(=O)N[C@@H]1c1cccc(Br)c1 ZINC000067286145 571064693 /nfs/dbraw/zinc/06/46/93/571064693.db2.gz XRFDOVDEDNBWBG-MRXNPFEDSA-N 1 1 408.296 2.716 50 0 HFAAMO CCOC(=O)C1=C(C[NH+]2CCCCC2)NC(=O)N[C@@H]1c1ccc(OCC)c(OC)c1 ZINC000067286675 571065155 /nfs/dbraw/zinc/06/51/55/571065155.db2.gz PPVBIAZZWLFCOM-HXUWFJFHSA-N 1 1 417.506 2.751 50 0 HFAAMO CC(C)(C)NC(=O)C[NH+]1CCC2(CC1)NC(c1ccc(OC(F)(F)F)cc1)=NO2 ZINC000067317621 571076311 /nfs/dbraw/zinc/07/63/11/571076311.db2.gz BHUIVARNALRKNL-UHFFFAOYSA-N 1 1 414.428 2.573 50 0 HFAAMO Cc1ccccc1[C@@H]1CC[N@@H+](CCNC(=O)CCc2c(C)nc3ncnn3c2C)C1 ZINC000670473296 571103586 /nfs/dbraw/zinc/10/35/86/571103586.db2.gz OMJYQVYSLCQBPX-LJQANCHMSA-N 1 1 406.534 2.588 50 0 HFAAMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NCc3cccnc3-n3cccn3)cc2)C[C@H](C)O1 ZINC000040088995 571159084 /nfs/dbraw/zinc/15/90/84/571159084.db2.gz XVODTSKDHUDZRR-HDICACEKSA-N 1 1 405.502 2.807 50 0 HFAAMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)NCc3cccnc3-n3cccn3)cc2)C[C@H](C)O1 ZINC000040088995 571159086 /nfs/dbraw/zinc/15/90/86/571159086.db2.gz XVODTSKDHUDZRR-HDICACEKSA-N 1 1 405.502 2.807 50 0 HFAAMO C[C@H](NC(=O)c1ccc(Br)o1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000040154928 571202332 /nfs/dbraw/zinc/20/23/32/571202332.db2.gz ZFCUJLBNGOSOAR-DZGCQCFKSA-N 1 1 420.307 2.551 50 0 HFAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cn(C2CC2)c2c(cc(F)c(F)c2OC)c1=O ZINC000009048204 571215836 /nfs/dbraw/zinc/21/58/36/571215836.db2.gz SDWPSAAWQSGXEG-ZDUSSCGKSA-N 1 1 405.445 2.837 50 0 HFAAMO COCC[N@H+]1CCc2c(cccc2-n2nnc(C(=O)NC3CCC(C)CC3)c2C)C1 ZINC000069872202 571247838 /nfs/dbraw/zinc/24/78/38/571247838.db2.gz UXORNCMGFLTJSY-UHFFFAOYSA-N 1 1 411.550 2.889 50 0 HFAAMO Cc1cc(=O)c(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)nn1-c1ccccc1F ZINC000009712219 571281237 /nfs/dbraw/zinc/28/12/37/571281237.db2.gz NXJZVIZTXJZJNX-SFHVURJKSA-N 1 1 410.449 2.840 50 0 HFAAMO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000540634608 571317549 /nfs/dbraw/zinc/31/75/49/571317549.db2.gz SCKBOTGNFRIIMB-APWZRJJASA-N 1 1 416.547 2.851 50 0 HFAAMO C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000006284795 132310191 /nfs/dbraw/zinc/31/01/91/132310191.db2.gz MAZYXEKZYYXGQI-FXAWDEMLSA-N 1 1 411.502 2.622 50 0 HFAAMO C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000006284795 132310193 /nfs/dbraw/zinc/31/01/93/132310193.db2.gz MAZYXEKZYYXGQI-FXAWDEMLSA-N 1 1 411.502 2.622 50 0 HFAAMO O=C(C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)N1CCN(c2ccccn2)CC1 ZINC000007684376 132325271 /nfs/dbraw/zinc/32/52/71/132325271.db2.gz XRRRBQNDFMRXFO-HXUWFJFHSA-N 1 1 422.529 2.729 50 0 HFAAMO O=C(C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)N1CCN(c2ccccn2)CC1 ZINC000007684376 132325272 /nfs/dbraw/zinc/32/52/72/132325272.db2.gz XRRRBQNDFMRXFO-HXUWFJFHSA-N 1 1 422.529 2.729 50 0 HFAAMO Cc1ccc(C[NH+]2CCN(c3cccc4c3C(=O)N(C[C@H]3CCCO3)C4=O)CC2)o1 ZINC000012041636 132353245 /nfs/dbraw/zinc/35/32/45/132353245.db2.gz MIUVPSWAZHZUKH-QGZVFWFLSA-N 1 1 409.486 2.685 50 0 HFAAMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CCN(c3ccccc3F)CC2)CC1 ZINC000012606246 132364971 /nfs/dbraw/zinc/36/49/71/132364971.db2.gz SMTGJKUDTUIMEF-HXUWFJFHSA-N 1 1 410.537 2.853 50 0 HFAAMO CCOC(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2ccc(OC)c(OC)c2)CC1 ZINC000045004315 520559243 /nfs/dbraw/zinc/55/92/43/520559243.db2.gz UYGJYFATGXURLC-GOSISDBHSA-N 1 1 404.507 2.642 50 0 HFAAMO CCOC(=O)C1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2ccc(OC)c(OC)c2)CC1 ZINC000045004315 520559252 /nfs/dbraw/zinc/55/92/52/520559252.db2.gz UYGJYFATGXURLC-GOSISDBHSA-N 1 1 404.507 2.642 50 0 HFAAMO CC[C@H](C)[C@@H](NC(=O)[C@H]1Cc2ccccc2C[NH2+]1)C(=O)NCc1ccccc1OC ZINC000253487682 521850509 /nfs/dbraw/zinc/85/05/09/521850509.db2.gz NYRGXQKQJYLSSV-SAWYMBPVSA-N 1 1 409.530 2.557 50 0 HFAAMO COc1ccc(Br)cc1S(=O)(=O)NCCC[N@H+]1CCC[C@H](C)C1 ZINC000045744840 523507485 /nfs/dbraw/zinc/50/74/85/523507485.db2.gz RSDJLFMZGVKTPB-ZDUSSCGKSA-N 1 1 405.358 2.858 50 0 HFAAMO Cc1ccc(N2C(=O)N(CC(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)C(=O)[C@@H]2C)cc1 ZINC000032819939 524924314 /nfs/dbraw/zinc/92/43/14/524924314.db2.gz FHOXANYKJKSTFY-ICSRJNTNSA-N 1 1 420.513 2.543 50 0 HFAAMO Cc1c(C)n(CC[NH+]2CCOCC2)c2ncn3nc(-c4ccc(N(C)C)cc4)nc3c12 ZINC000020591362 525683212 /nfs/dbraw/zinc/68/32/12/525683212.db2.gz UQMLZQSLXFSLKJ-UHFFFAOYSA-N 1 1 419.533 2.761 50 0 HFAAMO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000032879617 526009289 /nfs/dbraw/zinc/00/92/89/526009289.db2.gz BPEMFQKGOAMGRB-FGTMMUONSA-N 1 1 407.580 2.607 50 0 HFAAMO O=C(/C=C/c1ccc(N2CCCC2=O)cc1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000029717197 527612542 /nfs/dbraw/zinc/61/25/42/527612542.db2.gz QRYNYLBBRYBDKP-FMIVXFBMSA-N 1 1 419.525 2.975 50 0 HFAAMO Cc1ccc(C[N@@H+]2CCO[C@@H](CN3CCN(C(=O)c4ccc(C)cc4)CC3)C2)cc1 ZINC000034691726 557371962 /nfs/dbraw/zinc/37/19/62/557371962.db2.gz CRHFAKUWCZVYKX-DEOSSOPVSA-N 1 1 407.558 2.962 50 0 HFAAMO Cc1ccc(C[N@H+]2CCO[C@@H](CN3CCN(C(=O)c4ccc(C)cc4)CC3)C2)cc1 ZINC000034691726 557371967 /nfs/dbraw/zinc/37/19/67/557371967.db2.gz CRHFAKUWCZVYKX-DEOSSOPVSA-N 1 1 407.558 2.962 50 0 HFAAMO C[NH+]1CCN(C(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)CC1 ZINC000004272345 557534339 /nfs/dbraw/zinc/53/43/39/557534339.db2.gz YNEKVCRYENENNC-UHFFFAOYSA-N 1 1 421.950 2.694 50 0 HFAAMO COc1ccc([C@@]2(O)C[N+]3=C(CCCCC3)N2c2cc(=O)n(-c3ccccc3)[nH]2)cc1 ZINC000005527113 557659846 /nfs/dbraw/zinc/65/98/46/557659846.db2.gz MADLDRDRFLWQSC-DEOSSOPVSA-N 1 1 419.505 2.891 50 0 HFAAMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 ZINC000011661105 558265033 /nfs/dbraw/zinc/26/50/33/558265033.db2.gz AAZYLYUJYSHXJE-JOCHJYFZSA-N 1 1 413.562 2.879 50 0 HFAAMO CC[C@@H]1C[N@H+](CCNC(=O)c2cc(C(C)C)nn2C)Cc2cc(OC)ccc2O1 ZINC000011782775 558275114 /nfs/dbraw/zinc/27/51/14/558275114.db2.gz HDUBMSQJVWQBRC-QGZVFWFLSA-N 1 1 400.523 2.955 50 0 HFAAMO CC[C@@H]1C[N@@H+](CCNC(=O)c2cc(C(C)C)nn2C)Cc2cc(OC)ccc2O1 ZINC000011782775 558275116 /nfs/dbraw/zinc/27/51/16/558275116.db2.gz HDUBMSQJVWQBRC-QGZVFWFLSA-N 1 1 400.523 2.955 50 0 HFAAMO Cc1nn(CC(=O)N2CCC[C@H]([N@@H+](C)Cc3ccccc3)C2)c(=O)c2ccccc12 ZINC000011816455 558279826 /nfs/dbraw/zinc/27/98/26/558279826.db2.gz HDJJXFOUSBBPPG-FQEVSTJZSA-N 1 1 404.514 2.828 50 0 HFAAMO Cc1[nH+]ccn1CCC(=O)N1CCC[C@@H](CCC(=O)N(C)CCc2ccccn2)C1 ZINC000011819485 558282773 /nfs/dbraw/zinc/28/27/73/558282773.db2.gz JAKZKQHBZHGKEV-FQEVSTJZSA-N 1 1 411.550 2.697 50 0 HFAAMO COc1ccc([C@@H]2[C@H]3CCc4ccccc4C3=NN2C(=O)CN2CC[NH+](C)CC2)cc1 ZINC000019835235 558292392 /nfs/dbraw/zinc/29/23/92/558292392.db2.gz UJVVWGZXMYDGMZ-WIOPSUGQSA-N 1 1 418.541 2.793 50 0 HFAAMO CSc1ncc(C[N@@H+]2CCC[C@H](CNC(=O)c3ccc4c(c3)OCO4)C2)cn1 ZINC000011879776 558294545 /nfs/dbraw/zinc/29/45/45/558294545.db2.gz PGFINLFIYRJDIP-CQSZACIVSA-N 1 1 400.504 2.569 50 0 HFAAMO CSc1ncc(C[N@H+]2CCC[C@H](CNC(=O)c3ccc4c(c3)OCO4)C2)cn1 ZINC000011879776 558294547 /nfs/dbraw/zinc/29/45/47/558294547.db2.gz PGFINLFIYRJDIP-CQSZACIVSA-N 1 1 400.504 2.569 50 0 HFAAMO CC[C@H](C)C[N@@H+]1CCc2c(C(=O)N3CCc4ccccc4C3)c(OC)cc(=O)n2CC1 ZINC000012099179 558325621 /nfs/dbraw/zinc/32/56/21/558325621.db2.gz YDNHWLQREYOTIU-SFHVURJKSA-N 1 1 423.557 2.960 50 0 HFAAMO CCOC(=O)CC1(S(=O)(=O)c2ccc(F)cc2)CC[NH+](C2CCOCC2)CC1 ZINC000020119530 558336711 /nfs/dbraw/zinc/33/67/11/558336711.db2.gz ADDPQLJTYCDTBC-UHFFFAOYSA-N 1 1 413.511 2.566 50 0 HFAAMO COc1ccc2oc(=O)c(-c3ccc(OCC(=O)N4CC[NH+](C)CC4)cc3)cc2c1 ZINC000020426562 558362091 /nfs/dbraw/zinc/36/20/91/558362091.db2.gz DNZYVRCQCXQGGJ-UHFFFAOYSA-N 1 1 408.454 2.621 50 0 HFAAMO CCn1cc(/C=C(\NC(=O)c2ccco2)C(=O)N2CC[NH+](C)CC2)c2ccccc21 ZINC000020518457 558383476 /nfs/dbraw/zinc/38/34/76/558383476.db2.gz OPWSPZAADLWFAV-CYVLTUHYSA-N 1 1 406.486 2.799 50 0 HFAAMO CCCc1cc(=O)oc2cc(C)cc(O[C@H](C)C(=O)NCCC[NH+]3CCOCC3)c12 ZINC000020533616 558384947 /nfs/dbraw/zinc/38/49/47/558384947.db2.gz HAQADVLPULXNNC-QGZVFWFLSA-N 1 1 416.518 2.660 50 0 HFAAMO Cc1cc(C)cc(C[N@@H+]2CCc3nnc([C@@H](C)NC(=O)c4cccnc4)n3CC2)c1 ZINC000020785155 558413429 /nfs/dbraw/zinc/41/34/29/558413429.db2.gz DFSLNOJSSUOOQQ-GOSISDBHSA-N 1 1 404.518 2.839 50 0 HFAAMO CN(Cc1cccnc1)C(=O)c1coc(CN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000020783979 558413455 /nfs/dbraw/zinc/41/34/55/558413455.db2.gz HRBDDSMHHOEDCY-UHFFFAOYSA-N 1 1 405.502 2.660 50 0 HFAAMO CC[C@@H]1C[N@H+](CCNC(=O)Cn2ncc3ccccc32)Cc2cc(OC)ccc2O1 ZINC000012450517 558416105 /nfs/dbraw/zinc/41/61/05/558416105.db2.gz WCNXKRKTGXMBBZ-LJQANCHMSA-N 1 1 408.502 2.834 50 0 HFAAMO CC[C@@H]1C[N@@H+](CCNC(=O)Cn2ncc3ccccc32)Cc2cc(OC)ccc2O1 ZINC000012450517 558416108 /nfs/dbraw/zinc/41/61/08/558416108.db2.gz WCNXKRKTGXMBBZ-LJQANCHMSA-N 1 1 408.502 2.834 50 0 HFAAMO COc1ccc(CN2CCC(O)CC2)cc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000012463898 558419896 /nfs/dbraw/zinc/41/98/96/558419896.db2.gz DFNOKCSPYOFKSG-QFIPXVFZSA-N 1 1 414.546 2.524 50 0 HFAAMO COc1ccc(CN2CCC(O)CC2)cc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000012463898 558419899 /nfs/dbraw/zinc/41/98/99/558419899.db2.gz DFNOKCSPYOFKSG-QFIPXVFZSA-N 1 1 414.546 2.524 50 0 HFAAMO COc1ccc(C[NH2+]C2CCCCCCC2)c(OC[C@H](O)CN2CCN(C)CC2)c1 ZINC000020998837 558427966 /nfs/dbraw/zinc/42/79/66/558427966.db2.gz TVDGWIZMDXNYNM-JOCHJYFZSA-N 1 1 419.610 2.885 50 0 HFAAMO O=C(CCn1cnc2ccccc2c1=O)N[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000012701590 558447675 /nfs/dbraw/zinc/44/76/75/558447675.db2.gz SSBYJEUZFGLOEZ-SFHVURJKSA-N 1 1 408.477 2.707 50 0 HFAAMO O=C(CCn1cnc2ccccc2c1=O)N[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000012701590 558447676 /nfs/dbraw/zinc/44/76/76/558447676.db2.gz SSBYJEUZFGLOEZ-SFHVURJKSA-N 1 1 408.477 2.707 50 0 HFAAMO COC(=O)C1CCN(C[C@@H](O)COc2ccc(C[NH2+]Cc3ccccc3)cc2)CC1 ZINC000012708755 558451079 /nfs/dbraw/zinc/45/10/79/558451079.db2.gz YFVOYXBEGUSUKX-JOCHJYFZSA-N 1 1 412.530 2.601 50 0 HFAAMO C[C@H](C(=O)NCCC[NH+]1CCOCC1)n1nc(C(F)(F)F)c(Cl)c1C1CC1 ZINC000022418868 558488570 /nfs/dbraw/zinc/48/85/70/558488570.db2.gz UAXBSDFVWKOUGM-LLVKDONJSA-N 1 1 408.852 2.832 50 0 HFAAMO COc1ccc(C)cc1C[NH+]1CCN(CN2C(=O)NC3(CCCCCC3)C2=O)CC1 ZINC000022774222 558509116 /nfs/dbraw/zinc/50/91/16/558509116.db2.gz SMRKZRSYBYWXNG-UHFFFAOYSA-N 1 1 414.550 2.724 50 0 HFAAMO COc1ccccc1C[N@@H+]1CCc2nnc(CCNC(=O)C3CCCCC3)n2CC1 ZINC000023128947 558536608 /nfs/dbraw/zinc/53/66/08/558536608.db2.gz JIFFBOCUCGFJRV-UHFFFAOYSA-N 1 1 411.550 2.584 50 0 HFAAMO COc1cc(=O)n2c(c1C(=O)N1CCCC1)CC[N@H+](C[C@H](C)c1ccccc1)CC2 ZINC000023159586 558540132 /nfs/dbraw/zinc/54/01/32/558540132.db2.gz NDYXXQVRUPTBPU-SFHVURJKSA-N 1 1 409.530 2.755 50 0 HFAAMO CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000023638703 558563991 /nfs/dbraw/zinc/56/39/91/558563991.db2.gz SYAWWYNFBANVLI-DEOSSOPVSA-N 1 1 418.541 2.868 50 0 HFAAMO Cc1cccc(C[NH+]2CCN(C(=O)COC(=O)c3ccc(-n4cccn4)cc3)CC2)c1 ZINC000024235253 558593002 /nfs/dbraw/zinc/59/30/02/558593002.db2.gz BBKJQABSIDDCHB-UHFFFAOYSA-N 1 1 418.497 2.682 50 0 HFAAMO C[C@@H](c1ccccc1)N1C[C@H](C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1=O ZINC000014238956 558642856 /nfs/dbraw/zinc/64/28/56/558642856.db2.gz 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NC(=O)[C@@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)C1 ZINC000014967918 558686242 /nfs/dbraw/zinc/68/62/42/558686242.db2.gz SUKKHFVHJGQEET-QGZVFWFLSA-N 1 1 404.470 2.965 50 0 HFAAMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](n3cc(C(=O)NC4CCCC4)nn3)C2)cc1 ZINC000014994844 558695757 /nfs/dbraw/zinc/69/57/57/558695757.db2.gz LINHULXWTZYRQP-FQEVSTJZSA-N 1 1 410.522 2.746 50 0 HFAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)c2n[nH]c3ccccc32)CC1 ZINC000015062887 558705601 /nfs/dbraw/zinc/70/56/01/558705601.db2.gz REVLEAQCELZTKU-GOSISDBHSA-N 1 1 411.550 2.796 50 0 HFAAMO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)c2[nH]nc3ccccc32)CC1 ZINC000015062887 558705603 /nfs/dbraw/zinc/70/56/03/558705603.db2.gz REVLEAQCELZTKU-GOSISDBHSA-N 1 1 411.550 2.796 50 0 HFAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)c2[nH]nc3ccccc32)CC1 ZINC000015062887 558705607 /nfs/dbraw/zinc/70/56/07/558705607.db2.gz REVLEAQCELZTKU-GOSISDBHSA-N 1 1 411.550 2.796 50 0 HFAAMO CN(C)S(=O)(=O)c1ccc(NC(=O)CC[N@H+]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000028852743 558706158 /nfs/dbraw/zinc/70/61/58/558706158.db2.gz STGQPBRPCXQOBB-CYBMUJFWSA-N 1 1 407.458 2.540 50 0 HFAAMO COCCCN1C(=O)c2cccc(N3CC[NH+](Cc4cccc(OC)c4)CC3)c2C1=O ZINC000015068493 558710854 /nfs/dbraw/zinc/71/08/54/558710854.db2.gz HBRVSAPHUQFWFR-UHFFFAOYSA-N 1 1 423.513 2.650 50 0 HFAAMO COc1nc2ccccc2cc1CN1CC[C@@H]([N@@H+](C)CCc2ccccn2)[C@H](O)C1 ZINC000015070653 558712583 /nfs/dbraw/zinc/71/25/83/558712583.db2.gz QWIZDTPCGMYRGM-DHIUTWEWSA-N 1 1 406.530 2.748 50 0 HFAAMO CC(C)C(=O)NCCc1nnc2n1CC[N@H+](Cc1cccc(-c3ccco3)c1)CC2 ZINC000015072178 558713550 /nfs/dbraw/zinc/71/35/50/558713550.db2.gz OJPNYHUMIUXGNP-UHFFFAOYSA-N 1 1 407.518 2.911 50 0 HFAAMO COc1ccccc1NC(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2c(C)nn(C)c2C)CC1 ZINC000029907013 558723820 /nfs/dbraw/zinc/72/38/20/558723820.db2.gz YOYYVIFRODXECA-INIZCTEOSA-N 1 1 413.522 2.723 50 0 HFAAMO Cc1nn(C)c2nc(C3CC3)cc(C(=O)NCc3ccc(C[NH+]4CCOCC4)cc3)c12 ZINC000032900088 558741711 /nfs/dbraw/zinc/74/17/11/558741711.db2.gz SOWAKQRMYQKXDZ-UHFFFAOYSA-N 1 1 419.529 2.916 50 0 HFAAMO COc1cc(NC(=O)C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)cc(OC)c1 ZINC000015517460 558742156 /nfs/dbraw/zinc/74/21/56/558742156.db2.gz DFFUZFGYWRCNRS-UHFFFAOYSA-N 1 1 403.523 2.757 50 0 HFAAMO COc1cc(CN2CC[N@@H+](Cc3cccs3)[C@H](CCO)C2)cc(OC)c1OC ZINC000039557892 558822446 /nfs/dbraw/zinc/82/24/46/558822446.db2.gz RGJNRJGFKJXPMX-QGZVFWFLSA-N 1 1 406.548 2.843 50 0 HFAAMO CCCC[N@H+](CC)CCNC(=O)c1sc2ncnc(N3CCN(C)CC3)c2c1C ZINC000033048228 558884596 /nfs/dbraw/zinc/88/45/96/558884596.db2.gz LSSWAIZUMLVZQN-UHFFFAOYSA-N 1 1 418.611 2.603 50 0 HFAAMO CCCC[N@@H+](CC)CCNC(=O)c1sc2ncnc(N3CCN(C)CC3)c2c1C ZINC000033048228 558884598 /nfs/dbraw/zinc/88/45/98/558884598.db2.gz LSSWAIZUMLVZQN-UHFFFAOYSA-N 1 1 418.611 2.603 50 0 HFAAMO Cc1ccc(CNC(=O)[C@@H]2C[C@H](n3cnnn3)C[N@@H+]2C/C=C/c2ccccc2)cc1 ZINC000064031528 558961934 /nfs/dbraw/zinc/96/19/34/558961934.db2.gz GQYYTFPMIFXAKC-SBENCIRRSA-N 1 1 402.502 2.627 50 0 HFAAMO Cc1ccc(CNC(=O)[C@@H]2C[C@H](n3cnnn3)C[N@H+]2C/C=C/c2ccccc2)cc1 ZINC000064031528 558961938 /nfs/dbraw/zinc/96/19/38/558961938.db2.gz GQYYTFPMIFXAKC-SBENCIRRSA-N 1 1 402.502 2.627 50 0 HFAAMO COc1ccc(OCC[NH+]2CCN([C@@H](C)C(=O)Nc3ccccc3F)CC2)cc1 ZINC000022024944 558985040 /nfs/dbraw/zinc/98/50/40/558985040.db2.gz UWRIMHBRZLHAMA-KRWDZBQOSA-N 1 1 401.482 2.858 50 0 HFAAMO Cc1nonc1C(=O)N1CCC[C@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000067675650 558991155 /nfs/dbraw/zinc/99/11/55/558991155.db2.gz JMWXKBOOGMDHQK-KRWDZBQOSA-N 1 1 423.439 2.824 50 0 HFAAMO Cc1c(O)cccc1C(=O)N1CCC2(CN(CC[N@H+](C)CC(C)C)C(=O)O2)CC1 ZINC000077408186 559004353 /nfs/dbraw/zinc/00/43/53/559004353.db2.gz HAKJTDRYEOQCHR-UHFFFAOYSA-N 1 1 403.523 2.715 50 0 HFAAMO CC(C)CCC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082108532 559038610 /nfs/dbraw/zinc/03/86/10/559038610.db2.gz HMCLJTOSWRRGMJ-LJQANCHMSA-N 1 1 400.567 2.837 50 0 HFAAMO Cn1cccc1C(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000082109261 559038827 /nfs/dbraw/zinc/03/88/27/559038827.db2.gz BKVIGGXCQBJBFQ-NRFANRHFSA-N 1 1 422.573 2.701 50 0 HFAAMO O=C(NCC1CCOCC1)[C@@H]1CCC[N@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000082109349 559038854 /nfs/dbraw/zinc/03/88/54/559038854.db2.gz WHQAGXXUFBHUHG-HSZRJFAPSA-N 1 1 413.606 2.948 50 0 HFAAMO O=C([C@H]1CCC[N@H+](C2CCN(c3nc4ccccc4o3)CC2)C1)N1CCCOCC1 ZINC000082121877 559039670 /nfs/dbraw/zinc/03/96/70/559039670.db2.gz WMENPNDSWOYSRH-SFHVURJKSA-N 1 1 412.534 2.758 50 0 HFAAMO CCC(CC)C(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082138563 559040411 /nfs/dbraw/zinc/04/04/11/559040411.db2.gz LCMSMMVZIJYGGT-IBGZPJMESA-N 1 1 400.567 2.837 50 0 HFAAMO COCC1(NC(=O)[C@H]2CCC[N@H+](C3CCN(Cc4cccnc4)CC3)C2)CCCC1 ZINC000082137361 559040430 /nfs/dbraw/zinc/04/04/30/559040430.db2.gz ZTHWPGHFSRRDKN-NRFANRHFSA-N 1 1 414.594 2.833 50 0 HFAAMO Cc1cc(CN(C)C(=O)[C@@H]2CCC[N@H+](C3CCN(Cc4cccnc4)CC3)C2)no1 ZINC000082137455 559040490 /nfs/dbraw/zinc/04/04/90/559040490.db2.gz UJWYIGXFPWSAPO-HXUWFJFHSA-N 1 1 411.550 2.713 50 0 HFAAMO O=C(NCc1cccnc1)[C@@H]1CCC[N@H+](C2CCN(C(=O)NC3CCCC3)CC2)C1 ZINC000082148479 559041098 /nfs/dbraw/zinc/04/10/98/559041098.db2.gz QZXFNXPFBVESBV-LJQANCHMSA-N 1 1 413.566 2.526 50 0 HFAAMO Cc1nc(N2CCCC2)cc(N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)[nH+]1 ZINC000082230568 559042941 /nfs/dbraw/zinc/04/29/41/559042941.db2.gz SOFIQDOMKVHSST-UHFFFAOYSA-N 1 1 415.925 2.766 50 0 HFAAMO COc1ccc(NC(=O)N2CC[NH+](CCn3c(C)nc4cccnc43)CC2)cc1OC ZINC000033282025 559044958 /nfs/dbraw/zinc/04/49/58/559044958.db2.gz VSQUBGHRGGOIPZ-UHFFFAOYSA-N 1 1 424.505 2.607 50 0 HFAAMO CCc1ccc(OCCOC[C@H](O)C[NH+]2CCN(c3ccccc3F)CC2)cc1 ZINC000023224730 559062791 /nfs/dbraw/zinc/06/27/91/559062791.db2.gz POXKPQUMBKLRHI-HXUWFJFHSA-N 1 1 402.510 2.967 50 0 HFAAMO C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@H+](C)C[C@H]1COc2ccccc2O1 ZINC000248117945 559147695 /nfs/dbraw/zinc/14/76/95/559147695.db2.gz MAZYXEKZYYXGQI-XLIONFOSSA-N 1 1 411.502 2.622 50 0 HFAAMO C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@@H+](C)C[C@H]1COc2ccccc2O1 ZINC000248117945 559147697 /nfs/dbraw/zinc/14/76/97/559147697.db2.gz MAZYXEKZYYXGQI-XLIONFOSSA-N 1 1 411.502 2.622 50 0 HFAAMO COc1ccccc1-c1ncc(CN2CC[N@@H+](C)[C@@]3(C2)CCNC(=O)CC3)s1 ZINC000108036217 559166667 /nfs/dbraw/zinc/16/66/67/559166667.db2.gz WWAAVUKTPVIFRT-OAQYLSRUSA-N 1 1 400.548 2.605 50 0 HFAAMO COc1ccccc1-c1ncc(C[N@@H+]2CCN(C)[C@@]3(C2)CCNC(=O)CC3)s1 ZINC000108036217 559166669 /nfs/dbraw/zinc/16/66/69/559166669.db2.gz WWAAVUKTPVIFRT-OAQYLSRUSA-N 1 1 400.548 2.605 50 0 HFAAMO COc1ccccc1-c1ncc(C[N@H+]2CCN(C)[C@@]3(C2)CCNC(=O)CC3)s1 ZINC000108036217 559166671 /nfs/dbraw/zinc/16/66/71/559166671.db2.gz WWAAVUKTPVIFRT-OAQYLSRUSA-N 1 1 400.548 2.605 50 0 HFAAMO O=C([C@H](c1ccccc1)n1cnnn1)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC000257198595 559189907 /nfs/dbraw/zinc/18/99/07/559189907.db2.gz DBNXODGUIPCCQD-BUPNWXMQSA-N 1 1 418.545 2.684 50 0 biogenic HFAAMO CC1=NN(c2ccc(Cl)cc2)C(=O)[C@]12Cc1ccccc1N1CC[N@@H+](CCO)C[C@H]12 ZINC000103405442 560841687 /nfs/dbraw/zinc/84/16/87/560841687.db2.gz CPEUUJRXMVVMRW-JTHBVZDNSA-N 1 1 424.932 2.788 50 0 HFAAMO Cc1nnc(-c2c(C)[nH]c(C)c2S(=O)(=O)N2CC[NH+](C3CCCCC3)CC2)o1 ZINC000096379558 560848642 /nfs/dbraw/zinc/84/86/42/560848642.db2.gz JTNUOWCLOGVLSH-UHFFFAOYSA-N 1 1 407.540 2.629 50 0 HFAAMO C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000105134802 560861799 /nfs/dbraw/zinc/86/17/99/560861799.db2.gz BPEMFQKGOAMGRB-KSZLIROESA-N 1 1 407.580 2.607 50 0 HFAAMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)O1 ZINC000107536819 560896408 /nfs/dbraw/zinc/89/64/08/560896408.db2.gz QFWMOFUHPGYHGQ-YZGWKJHDSA-N 1 1 417.550 2.792 50 0 HFAAMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)O1 ZINC000107536819 560896410 /nfs/dbraw/zinc/89/64/10/560896410.db2.gz QFWMOFUHPGYHGQ-YZGWKJHDSA-N 1 1 417.550 2.792 50 0 HFAAMO O=C(NCc1ccco1)C(=O)NC[C@@H](c1cccs1)[N@@H+]1CCc2ccccc2C1 ZINC000022908107 568416338 /nfs/dbraw/zinc/41/63/38/568416338.db2.gz LVTWCUPVWYYALC-IBGZPJMESA-N 1 1 409.511 2.873 50 0 HFAAMO O=C(NCc1ccco1)C(=O)NC[C@@H](c1cccs1)[N@H+]1CCc2ccccc2C1 ZINC000022908107 568416339 /nfs/dbraw/zinc/41/63/39/568416339.db2.gz LVTWCUPVWYYALC-IBGZPJMESA-N 1 1 409.511 2.873 50 0 HFAAMO O=C(C[NH+]1CCC(C(=O)NCCc2ccccc2F)CC1)N1CCc2ccccc21 ZINC000047936060 568431657 /nfs/dbraw/zinc/43/16/57/568431657.db2.gz XVGNYJAHNHLQDF-UHFFFAOYSA-N 1 1 409.505 2.786 50 0 HFAAMO Cc1csc(NC(=O)[C@H]2CCC[N@H+](Cc3cc(=O)n4c(C)csc4n3)C2)n1 ZINC000048302088 568437522 /nfs/dbraw/zinc/43/75/22/568437522.db2.gz XTUWVNJYJQZYOK-ZDUSSCGKSA-N 1 1 403.533 2.680 50 0 HFAAMO Cc1csc(NC(=O)[C@H]2CCC[N@@H+](Cc3cc(=O)n4c(C)csc4n3)C2)n1 ZINC000048302088 568437523 /nfs/dbraw/zinc/43/75/23/568437523.db2.gz XTUWVNJYJQZYOK-ZDUSSCGKSA-N 1 1 403.533 2.680 50 0 HFAAMO Cc1ccc(OCCN(C)C(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)cc1 ZINC000048326715 568439713 /nfs/dbraw/zinc/43/97/13/568439713.db2.gz XWWSUWTVEPQQHX-NRFANRHFSA-N 1 1 410.518 2.987 50 0 HFAAMO Cc1ccc(OCCN(C)C(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)cc1 ZINC000048326715 568439714 /nfs/dbraw/zinc/43/97/14/568439714.db2.gz XWWSUWTVEPQQHX-NRFANRHFSA-N 1 1 410.518 2.987 50 0 HFAAMO COc1ccc(Cl)cc1N1C[C@@H](C(=O)NC[C@@H](c2ccco2)[NH+](C)C)CC1=O ZINC000049944262 568453592 /nfs/dbraw/zinc/45/35/92/568453592.db2.gz OHQKDLHGYKQQOH-BBRMVZONSA-N 1 1 405.882 2.714 50 0 HFAAMO CCC[NH+]1CCN(CC2=NC(=O)N[C@@H](c3ccc(Cl)cc3)C2C(=O)OCC)CC1 ZINC000020214214 568594588 /nfs/dbraw/zinc/59/45/88/568594588.db2.gz YUUZJYZSUMWTQD-IBGZPJMESA-N 1 1 420.941 2.539 50 0 HFAAMO CC(C)C(=O)N[C@H]1CCC[N@H+](CCNC(=O)NC(C)(C)COCc2ccccc2)C1 ZINC000225637126 568659189 /nfs/dbraw/zinc/65/91/89/568659189.db2.gz IIQJJNATYXUZOF-FQEVSTJZSA-N 1 1 418.582 2.518 50 0 HFAAMO CC(C)C(=O)N[C@H]1CCC[N@@H+](CCNC(=O)NC(C)(C)COCc2ccccc2)C1 ZINC000225637126 568659192 /nfs/dbraw/zinc/65/91/92/568659192.db2.gz IIQJJNATYXUZOF-FQEVSTJZSA-N 1 1 418.582 2.518 50 0 HFAAMO CC[C@@H](CO)[N@H+](CC(=O)NCC(=O)Nc1c(C)cc(C)cc1C)Cc1ccccc1 ZINC000096012856 568685198 /nfs/dbraw/zinc/68/51/98/568685198.db2.gz OVRDTWKZVRUCDT-NRFANRHFSA-N 1 1 411.546 2.940 50 0 HFAAMO CC[C@@H](CO)[N@@H+](CC(=O)NCC(=O)Nc1c(C)cc(C)cc1C)Cc1ccccc1 ZINC000096012856 568685200 /nfs/dbraw/zinc/68/52/00/568685200.db2.gz OVRDTWKZVRUCDT-NRFANRHFSA-N 1 1 411.546 2.940 50 0 HFAAMO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@@H+]2[C@]32C(=O)Nc3ccc(F)cc32)cc1C ZINC000229997421 568716556 /nfs/dbraw/zinc/71/65/56/568716556.db2.gz HFSYTLKIKCDFFP-VKDGWMQASA-N 1 1 419.456 2.874 50 0 HFAAMO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@H+]2[C@]32C(=O)Nc3ccc(F)cc32)cc1C ZINC000229997421 568716560 /nfs/dbraw/zinc/71/65/60/568716560.db2.gz HFSYTLKIKCDFFP-VKDGWMQASA-N 1 1 419.456 2.874 50 0 HFAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1cnc2sc3c(n2c1=O)CCCC3 ZINC000021647562 568728336 /nfs/dbraw/zinc/72/83/36/568728336.db2.gz PWJMSQUGLFAGJG-UHFFFAOYSA-N 1 1 422.554 2.813 50 0 HFAAMO CCOC(=O)c1cnn(-c2ccc(C(=O)NCC[N@@H+](C)C3CCCCC3)cc2)c1N ZINC000021652122 568730058 /nfs/dbraw/zinc/73/00/58/568730058.db2.gz IUAYIVHVQCAXJR-UHFFFAOYSA-N 1 1 413.522 2.626 50 0 HFAAMO Cc1cc2cc(CNC(=O)C[C@@H]3C(=O)NCC[N@H+]3CCCc3ccccc3)ccc2[nH]1 ZINC000015077400 568749688 /nfs/dbraw/zinc/74/96/88/568749688.db2.gz LHQCNAOKSWXDIH-HSZRJFAPSA-N 1 1 418.541 2.916 50 0 HFAAMO Cc1cc2cc(CNC(=O)C[C@@H]3C(=O)NCC[N@@H+]3CCCc3ccccc3)ccc2[nH]1 ZINC000015077400 568749690 /nfs/dbraw/zinc/74/96/90/568749690.db2.gz LHQCNAOKSWXDIH-HSZRJFAPSA-N 1 1 418.541 2.916 50 0 HFAAMO CC[NH+]1CCN([C@@H](c2cccs2)[C@@H](C)NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000022460448 568768524 /nfs/dbraw/zinc/76/85/24/568768524.db2.gz HVWZGNWVOSXDQT-DNVCBOLYSA-N 1 1 411.568 2.933 50 0 HFAAMO CCOC(=O)C1=C(C[N@H+](C)Cc2ccccc2)NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000057414700 568833659 /nfs/dbraw/zinc/83/36/59/568833659.db2.gz WYHXHIOVJLFJJK-OAQYLSRUSA-N 1 1 409.486 2.998 50 0 HFAAMO CCOC(=O)C1=C(C[N@@H+](C)Cc2ccccc2)NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000057414700 568833660 /nfs/dbraw/zinc/83/36/60/568833660.db2.gz WYHXHIOVJLFJJK-OAQYLSRUSA-N 1 1 409.486 2.998 50 0 HFAAMO CC[N@H+](Cc1ccccc1)CC1=NC(=O)N[C@H](c2ccc(OC)cc2)C1C(=O)OC ZINC000057414817 568833748 /nfs/dbraw/zinc/83/37/48/568833748.db2.gz IWQKVWMVLSNGKY-OAQYLSRUSA-N 1 1 409.486 2.998 50 0 HFAAMO CC[N@@H+](Cc1ccccc1)CC1=NC(=O)N[C@H](c2ccc(OC)cc2)C1C(=O)OC ZINC000057414817 568833750 /nfs/dbraw/zinc/83/37/50/568833750.db2.gz IWQKVWMVLSNGKY-OAQYLSRUSA-N 1 1 409.486 2.998 50 0 HFAAMO Cc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@@H+]2[C@]32C(=O)Nc3ccc(F)cc32)c1C ZINC000230202810 568854885 /nfs/dbraw/zinc/85/48/85/568854885.db2.gz YGYZTFOHAYDOBI-VKDGWMQASA-N 1 1 419.456 2.874 50 0 HFAAMO Cc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@H+]2[C@]32C(=O)Nc3ccc(F)cc32)c1C ZINC000230202810 568854887 /nfs/dbraw/zinc/85/48/87/568854887.db2.gz YGYZTFOHAYDOBI-VKDGWMQASA-N 1 1 419.456 2.874 50 0 HFAAMO CC[C@@H]1C[N@@H+](CC(C)(C)O)[C@@H](CC)CN1C(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000230288693 568857699 /nfs/dbraw/zinc/85/76/99/568857699.db2.gz NLYBRWCUVSFPIP-LSDHHAIUSA-N 1 1 410.946 2.917 50 0 HFAAMO O=C(c1cnc2ccccn2c1=O)N1CCC[C@@H]2C[N@@H+](CCc3ccccc3)CC[C@@H]21 ZINC000299779617 568874932 /nfs/dbraw/zinc/87/49/32/568874932.db2.gz AGGABRFKXDYUKJ-IRLDBZIGSA-N 1 1 416.525 2.864 50 0 HFAAMO CCOC(=O)[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H]1c1ccc(OC)cc1OC ZINC000015367160 568883293 /nfs/dbraw/zinc/88/32/93/568883293.db2.gz IEFMMMTVJJTVNL-RTBURBONSA-N 1 1 404.507 2.785 50 0 HFAAMO CCOC(=O)[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@@H]1c1ccc(OC)cc1OC ZINC000015367160 568883295 /nfs/dbraw/zinc/88/32/95/568883295.db2.gz IEFMMMTVJJTVNL-RTBURBONSA-N 1 1 404.507 2.785 50 0 HFAAMO Cn1cccc1C[N@@H+]1CCc2nc(N3CCN(c4ccccc4F)CC3)ncc2C1 ZINC000015779709 568920683 /nfs/dbraw/zinc/92/06/83/568920683.db2.gz ZQCCHPFKEOIIKQ-UHFFFAOYSA-N 1 1 406.509 2.839 50 0 HFAAMO Cn1cccc1C[N@H+]1CCc2nc(N3CCN(c4ccccc4F)CC3)ncc2C1 ZINC000015779709 568920684 /nfs/dbraw/zinc/92/06/84/568920684.db2.gz ZQCCHPFKEOIIKQ-UHFFFAOYSA-N 1 1 406.509 2.839 50 0 HFAAMO CC[NH+](CC)[C@H](CNC(=O)c1cccc(S(C)(=O)=O)c1)c1cccc(OC)c1 ZINC000012751260 568940564 /nfs/dbraw/zinc/94/05/64/568940564.db2.gz TWFRHPMETCINCH-HXUWFJFHSA-N 1 1 404.532 2.912 50 0 HFAAMO CC(C)[N@@H+]1CCc2c(sc(NC(=O)c3cc4ccccc4oc3=O)c2C(N)=O)C1 ZINC000004087267 568940706 /nfs/dbraw/zinc/94/07/06/568940706.db2.gz ZUEPROHKJIHXSZ-UHFFFAOYSA-N 1 1 411.483 2.972 50 0 HFAAMO CC(C)[N@H+]1CCc2c(sc(NC(=O)c3cc4ccccc4oc3=O)c2C(N)=O)C1 ZINC000004087267 568940708 /nfs/dbraw/zinc/94/07/08/568940708.db2.gz ZUEPROHKJIHXSZ-UHFFFAOYSA-N 1 1 411.483 2.972 50 0 HFAAMO COc1c2c(cc3c1[C@H](C[C@](C)(NC=O)C(=O)CC1CCCC1)[N@H+](C)CC3)OCO2 ZINC000004090639 568942224 /nfs/dbraw/zinc/94/22/24/568942224.db2.gz FPAPHBQBVPMACY-SBUREZEXSA-N 1 1 416.518 2.997 50 0 biogenic HFAAMO COc1c2c(cc3c1[C@H](C[C@](C)(NC=O)C(=O)CC1CCCC1)[N@@H+](C)CC3)OCO2 ZINC000004090639 568942225 /nfs/dbraw/zinc/94/22/25/568942225.db2.gz FPAPHBQBVPMACY-SBUREZEXSA-N 1 1 416.518 2.997 50 0 biogenic HFAAMO Cc1ccc(-c2noc([C@H](C)N3CCC([N@H+]4CCC[C@@H]4C(N)=O)CC3)n2)cc1F ZINC000084185378 568943508 /nfs/dbraw/zinc/94/35/08/568943508.db2.gz OQEJKKOSLGLSTG-KBXCAEBGSA-N 1 1 401.486 2.659 50 0 HFAAMO CCCS(=O)(=O)N1CCC[C@@H](C(=O)NCCC[N@@H+](Cc2ccccc2)C(C)C)C1 ZINC000004115469 568944355 /nfs/dbraw/zinc/94/43/55/568944355.db2.gz ICFKWKHRQYLKFK-OAQYLSRUSA-N 1 1 423.623 2.855 50 0 HFAAMO COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000008187970 568980684 /nfs/dbraw/zinc/98/06/84/568980684.db2.gz UPLAETHCWRJMHV-HXUWFJFHSA-N 1 1 417.531 2.898 50 0 HFAAMO COc1ccc([C@H]2CCCCC[N@H+]2CC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000008187970 568980685 /nfs/dbraw/zinc/98/06/85/568980685.db2.gz UPLAETHCWRJMHV-HXUWFJFHSA-N 1 1 417.531 2.898 50 0 HFAAMO COc1ccc(C[N@H+]2CCN(Cc3cccc4nonc43)C[C@H]2CCO)c(C)c1C ZINC000104515984 569008813 /nfs/dbraw/zinc/00/88/13/569008813.db2.gz FJSDXNVQZJGYCP-HXUWFJFHSA-N 1 1 410.518 2.917 50 0 HFAAMO COc1ccc(CN2CC[N@H+](Cc3cccc4nonc43)C[C@H]2CCO)c(C)c1C ZINC000104515984 569008814 /nfs/dbraw/zinc/00/88/14/569008814.db2.gz FJSDXNVQZJGYCP-HXUWFJFHSA-N 1 1 410.518 2.917 50 0 HFAAMO COc1ccc(CN2CC[N@@H+](Cc3cccc4nonc43)C[C@H]2CCO)c(C)c1C ZINC000104515984 569008815 /nfs/dbraw/zinc/00/88/15/569008815.db2.gz FJSDXNVQZJGYCP-HXUWFJFHSA-N 1 1 410.518 2.917 50 0 HFAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCCNC(=O)CCn1c(=O)c2cccn2c2cccnc21 ZINC000015935585 569023345 /nfs/dbraw/zinc/02/33/45/569023345.db2.gz DMABOCFLBVRBFY-HDICACEKSA-N 1 1 409.534 2.809 50 0 HFAAMO COc1ccccc1CNC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000035363913 569033577 /nfs/dbraw/zinc/03/35/77/569033577.db2.gz ZDCGAEULNLJTAZ-LEWJYISDSA-N 1 1 409.530 2.557 50 0 biogenic HFAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)CCCn2c3ccccc3c3cnn(C)c(=O)c32)C1 ZINC000035372396 569033887 /nfs/dbraw/zinc/03/38/87/569033887.db2.gz SNUXTQLWFYFBJB-SFHVURJKSA-N 1 1 423.561 2.907 50 0 HFAAMO C[C@@H](NC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1)c1cccc2ccccc21 ZINC000229847218 569040565 /nfs/dbraw/zinc/04/05/65/569040565.db2.gz JKAQESWOQFHOJO-UYAOXDASSA-N 1 1 409.530 2.588 50 0 HFAAMO C[NH+](C)[C@@H](CNC(=O)CCNC(=O)c1ccc(Br)cc1)c1ccco1 ZINC000013008393 569049840 /nfs/dbraw/zinc/04/98/40/569049840.db2.gz VVHOICLHLJYYPN-HNNXBMFYSA-N 1 1 408.296 2.581 50 0 HFAAMO O[C@H](COc1ccc(Oc2ccccc2)cc1)C[NH+]1CCN(c2ncccn2)CC1 ZINC000013013119 569050659 /nfs/dbraw/zinc/05/06/59/569050659.db2.gz RGNARYFLBDPMNC-IBGZPJMESA-N 1 1 406.486 2.831 50 0 HFAAMO COc1ccc(NC(=O)[C@H](CCSC)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000035876919 569064306 /nfs/dbraw/zinc/06/43/06/569064306.db2.gz YJIZBJNZPNDMNC-VQTJNVASSA-N 1 1 413.543 2.586 50 0 HFAAMO C[C@@H](C(=O)NCC[N@@H+](C)C1CCCCC1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064776056 569093747 /nfs/dbraw/zinc/09/37/47/569093747.db2.gz FWFSXZVKWBIHIJ-INIZCTEOSA-N 1 1 409.534 2.830 50 0 HFAAMO Cc1nc2sccn2c(=O)c1S(=O)(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000006784658 569121055 /nfs/dbraw/zinc/12/10/55/569121055.db2.gz XALVQJKASAVNAE-UHFFFAOYSA-N 1 1 418.544 2.851 50 0 HFAAMO COc1ccccc1[C@@H]1CC(c2cccc(F)c2)=NN1C(=O)CN1CC[NH+](C)CC1 ZINC000036345395 569143258 /nfs/dbraw/zinc/14/32/58/569143258.db2.gz WDNIJAMTMLXWQF-NRFANRHFSA-N 1 1 410.493 2.759 50 0 HFAAMO Cc1c(C(=O)NCC[N@@H+]2CCc3ccccc3C2)sc2nc3n(c(=O)c12)CCCC3 ZINC000006841101 569151735 /nfs/dbraw/zinc/15/17/35/569151735.db2.gz XXZXLQFFSLIDHU-UHFFFAOYSA-N 1 1 422.554 2.891 50 0 HFAAMO Cc1c(C(=O)NCC[N@H+]2CCc3ccccc3C2)sc2nc3n(c(=O)c12)CCCC3 ZINC000006841101 569151736 /nfs/dbraw/zinc/15/17/36/569151736.db2.gz XXZXLQFFSLIDHU-UHFFFAOYSA-N 1 1 422.554 2.891 50 0 HFAAMO COc1ccc(C(=O)N[C@H](Cc2ccccc2)c2nnc(N3CC[NH+](C)CC3)o2)cc1 ZINC000065209227 569195330 /nfs/dbraw/zinc/19/53/30/569195330.db2.gz OLRZGFSITNJVIK-HXUWFJFHSA-N 1 1 421.501 2.544 50 0 HFAAMO COc1ccc(-c2noc(C[N@@H+]3CCC[C@@H]3C[C@@H](O)c3cnn(C)c3)n2)cc1OC ZINC000170591266 569240750 /nfs/dbraw/zinc/24/07/50/569240750.db2.gz ROWKYNUBEUMJSZ-IAGOWNOFSA-N 1 1 413.478 2.575 50 0 HFAAMO COc1ccc(-c2noc(C[N@H+]3CCC[C@@H]3C[C@@H](O)c3cnn(C)c3)n2)cc1OC ZINC000170591266 569240751 /nfs/dbraw/zinc/24/07/51/569240751.db2.gz ROWKYNUBEUMJSZ-IAGOWNOFSA-N 1 1 413.478 2.575 50 0 HFAAMO Cc1ccccc1-n1ccnc1SCC(=O)N1CCC[N@@H+](CC(C)(C)O)CC1 ZINC000170602441 569243689 /nfs/dbraw/zinc/24/36/89/569243689.db2.gz QIHWEYXJPCWMJZ-UHFFFAOYSA-N 1 1 402.564 2.578 50 0 HFAAMO Cc1ccc(-c2cc(=O)n(CC(=O)N3CC[NH+](Cc4ccccc4)CC3)cn2)cc1 ZINC000013806648 569257963 /nfs/dbraw/zinc/25/79/63/569257963.db2.gz OPVIEOLFTKGHRE-UHFFFAOYSA-N 1 1 402.498 2.563 50 0 HFAAMO O=S(=O)(N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO)c1cccc2c1N=S=N2 ZINC000089834883 569266755 /nfs/dbraw/zinc/26/67/55/569266755.db2.gz TWHNQMXRXOOESG-NVXWUHKLSA-N 1 1 418.544 2.574 50 0 HFAAMO O=S(=O)(N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO)c1cccc2c1N=S=N2 ZINC000089834883 569266757 /nfs/dbraw/zinc/26/67/57/569266757.db2.gz TWHNQMXRXOOESG-NVXWUHKLSA-N 1 1 418.544 2.574 50 0 HFAAMO COc1cc(C(=O)NCCC[N@@H+]2CCO[C@H](c3ccccc3)C2)cc(OC)c1OC ZINC000016943393 569268068 /nfs/dbraw/zinc/26/80/68/569268068.db2.gz XIDGGYLROZVZMD-NRFANRHFSA-N 1 1 414.502 2.906 50 0 HFAAMO COc1cc(C(=O)NCCC[N@H+]2CCO[C@H](c3ccccc3)C2)cc(OC)c1OC ZINC000016943393 569268069 /nfs/dbraw/zinc/26/80/69/569268069.db2.gz XIDGGYLROZVZMD-NRFANRHFSA-N 1 1 414.502 2.906 50 0 HFAAMO Cc1cc(NC(=O)CSCC(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)no1 ZINC000027346318 569294001 /nfs/dbraw/zinc/29/40/01/569294001.db2.gz FTEJVZWQDDODEO-HNNXBMFYSA-N 1 1 410.927 2.727 50 0 HFAAMO COc1ccc(C[N@H+](CC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)C2CC2)cc1 ZINC000007662116 569299754 /nfs/dbraw/zinc/29/97/54/569299754.db2.gz KJJWEJZCNWXJKC-UHFFFAOYSA-N 1 1 421.419 2.832 50 0 HFAAMO COc1ccc(C[N@@H+](CC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)C2CC2)cc1 ZINC000007662116 569299755 /nfs/dbraw/zinc/29/97/55/569299755.db2.gz KJJWEJZCNWXJKC-UHFFFAOYSA-N 1 1 421.419 2.832 50 0 HFAAMO Cc1ccc(NC(=O)CN(C)CC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1 ZINC000007676504 569300155 /nfs/dbraw/zinc/30/01/55/569300155.db2.gz LLAADZBFJDMHKU-FQEVSTJZSA-N 1 1 408.546 2.771 50 0 HFAAMO O=C(C[N@@H+](Cc1ccc(F)cc1)C1CC1)N1CCN(C(=O)c2cccs2)CC1 ZINC000007789405 569310460 /nfs/dbraw/zinc/31/04/60/569310460.db2.gz LKYJQYWMRUXAQN-UHFFFAOYSA-N 1 1 401.507 2.836 50 0 HFAAMO O=C(C[N@H+](Cc1ccc(F)cc1)C1CC1)N1CCN(C(=O)c2cccs2)CC1 ZINC000007789405 569310462 /nfs/dbraw/zinc/31/04/62/569310462.db2.gz LKYJQYWMRUXAQN-UHFFFAOYSA-N 1 1 401.507 2.836 50 0 HFAAMO CC(C)C[NH+]1CCN([C@H]2CCOC3(CCN(C(=O)c4ccccn4)CC3)C2)CC1 ZINC000581820111 569320968 /nfs/dbraw/zinc/32/09/68/569320968.db2.gz RJIRBNFSSCGLCU-FQEVSTJZSA-N 1 1 400.567 2.509 50 0 HFAAMO O=C(c1cnc(O[C@@H]2CCOC2)c(Cl)c1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000253408638 569366273 /nfs/dbraw/zinc/36/62/73/569366273.db2.gz YJYVPHYODLJZOB-LJQANCHMSA-N 1 1 415.921 2.903 50 0 HFAAMO NC(=O)C[C@@H](c1ccnc2ccccc21)c1oc(C[NH+]2CCCCC2)cc(=O)c1O ZINC000253413053 569366664 /nfs/dbraw/zinc/36/66/64/569366664.db2.gz SWQMJXOAWWDHTN-SFHVURJKSA-N 1 1 407.470 2.887 50 0 biogenic HFAAMO NC(=O)C[C@H](c1ccnc2ccccc21)c1oc(C[NH+]2CCCCC2)cc(=O)c1O ZINC000253413052 569366701 /nfs/dbraw/zinc/36/67/01/569366701.db2.gz SWQMJXOAWWDHTN-GOSISDBHSA-N 1 1 407.470 2.887 50 0 biogenic HFAAMO CC[N@H+]1CCC[C@H]1CNC(=O)CC[C@@H]1NC(=O)N(c2cccc3ccccc32)C1=O ZINC000252498836 569387711 /nfs/dbraw/zinc/38/77/11/569387711.db2.gz RNEWONJCLMSXPD-HKUYNNGSSA-N 1 1 408.502 2.850 50 0 HFAAMO NC(=O)C[C@@H](c1cccc(OC(F)F)c1)c1oc(C[NH+]2CCCCC2)cc(=O)c1O ZINC000252501540 569387776 /nfs/dbraw/zinc/38/77/76/569387776.db2.gz UHDRWYCWSHGTIG-INIZCTEOSA-N 1 1 422.428 2.940 50 0 HFAAMO Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000002435376 569399677 /nfs/dbraw/zinc/39/96/77/569399677.db2.gz MWHGJMCVJKVUHD-YDLHNXBPSA-N 1 1 419.456 2.874 50 0 HFAAMO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000116785827 569399909 /nfs/dbraw/zinc/39/99/09/569399909.db2.gz YQTDNBMNJIMTOJ-HNNXBMFYSA-N 1 1 411.568 2.974 50 0 HFAAMO Cc1cc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2[NH2+]CCC2=CCCCC2)ccc1F ZINC000013371794 569413070 /nfs/dbraw/zinc/41/30/70/569413070.db2.gz KWHMNGPMBOFSKP-OALUTQOASA-N 1 1 415.552 2.554 50 0 HFAAMO CC(C)[C@@H](C(=O)N1CCCN(Cc2ccccc2F)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000078724125 569419993 /nfs/dbraw/zinc/41/99/93/569419993.db2.gz ZNLVZJQOPNANHU-KNKQGSTJSA-N 1 1 405.558 2.994 50 0 HFAAMO O=C(N[C@@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3)c1cc2cc(F)ccc2[nH]1 ZINC000670473381 571105452 /nfs/dbraw/zinc/10/54/52/571105452.db2.gz XAZAGHQRPRQSFA-XAHYOPIXSA-N 1 1 404.489 2.604 50 0 HFAAMO CCOC(=O)C1=C(C[N@@H+]2C[C@H](C)C[C@H](C)C2)NC(=O)N[C@H]1c1ccc2c(c1)OCO2 ZINC000008815934 571121372 /nfs/dbraw/zinc/12/13/72/571121372.db2.gz JGJYVIGWLAJVFX-MNVSYLFESA-N 1 1 415.490 2.564 50 0 HFAAMO CCOC(=O)C1C(C[N@H+]2C[C@H](C)C[C@H](C)C2)=NC(=O)N[C@H]1c1ccc2c(c1)OCO2 ZINC000008815934 571121375 /nfs/dbraw/zinc/12/13/75/571121375.db2.gz JGJYVIGWLAJVFX-MNVSYLFESA-N 1 1 415.490 2.564 50 0 HFAAMO CCOC(=O)C1C(C[N@@H+]2C[C@H](C)C[C@H](C)C2)=NC(=O)N[C@H]1c1ccc2c(c1)OCO2 ZINC000008815934 571121379 /nfs/dbraw/zinc/12/13/79/571121379.db2.gz JGJYVIGWLAJVFX-MNVSYLFESA-N 1 1 415.490 2.564 50 0 HFAAMO C[NH+]1CCN(C(=O)c2ccc(CNC(=O)c3cc(-c4cccc(F)c4)no3)cc2)CC1 ZINC000040110976 571169265 /nfs/dbraw/zinc/16/92/65/571169265.db2.gz NDMQCSVHIROMCM-UHFFFAOYSA-N 1 1 422.460 2.798 50 0 HFAAMO NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000009046564 571215630 /nfs/dbraw/zinc/21/56/30/571215630.db2.gz QTZIGUHAPDAKFP-YSFYHYPLSA-N 1 1 409.445 2.841 50 0 HFAAMO NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000009046564 571215631 /nfs/dbraw/zinc/21/56/31/571215631.db2.gz QTZIGUHAPDAKFP-YSFYHYPLSA-N 1 1 409.445 2.841 50 0 HFAAMO C[C@@H]([NH2+]CC(=O)N1C[C@@H](C(N)=O)Oc2ccccc21)c1ccc(Cl)cc1Cl ZINC000012853502 132367882 /nfs/dbraw/zinc/36/78/82/132367882.db2.gz AHMPCEAJPXPBAA-DIFFPNOSSA-N 1 1 408.285 2.924 50 0 HFAAMO O=C(CN1CCC[N@@H+](Cc2ccccc2)CC1)Nc1ccc(N2CCOCC2)cc1 ZINC000022927429 132476620 /nfs/dbraw/zinc/47/66/20/132476620.db2.gz QSCYQCKIOLNBCZ-UHFFFAOYSA-N 1 1 408.546 2.670 50 0 HFAAMO CC[N@@H+](CCC1CCN(C(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1)CC1CC1 ZINC000241440014 521000717 /nfs/dbraw/zinc/00/07/17/521000717.db2.gz NOJRRNNJJAKIJB-NHCUHLMSSA-N 1 1 417.594 2.912 50 0 HFAAMO CC[NH+]1CCN(C(=O)COc2ccc(-c3nc(-c4ccc(OC)cc4)no3)cc2)CC1 ZINC000032579119 521663424 /nfs/dbraw/zinc/66/34/24/521663424.db2.gz UPSUFSZBEMFBHW-UHFFFAOYSA-N 1 1 422.485 2.955 50 0 HFAAMO COc1cc(C)c(C[NH+]2CCN(c3cc(C(N)=O)c4ccccc4n3)CC2)cc1OC ZINC000032829106 522191125 /nfs/dbraw/zinc/19/11/25/522191125.db2.gz USWOAKCNWGJLTQ-UHFFFAOYSA-N 1 1 420.513 2.982 50 0 HFAAMO COc1ccc(C[NH2+]CCC2=CCCCC2)cc1OC[C@H](O)CN1CCN(C)CC1 ZINC000020536218 524069586 /nfs/dbraw/zinc/06/95/86/524069586.db2.gz LXXHBLPKFICASK-JOCHJYFZSA-N 1 1 417.594 2.662 50 0 HFAAMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)CCn3nnc4ccccc4c3=O)cc2)C1 ZINC000032930093 524097289 /nfs/dbraw/zinc/09/72/89/524097289.db2.gz OEMRZLKDYJPYKX-SFHVURJKSA-N 1 1 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ZINC000023373253 558553306 /nfs/dbraw/zinc/55/33/06/558553306.db2.gz XSUJAURLEZYGPU-FQEVSTJZSA-N 1 1 400.519 2.781 50 0 HFAAMO CCN(CC)C(=O)COCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000013942292 558604932 /nfs/dbraw/zinc/60/49/32/558604932.db2.gz VTTYQOATXMKBGV-UHFFFAOYSA-N 1 1 423.557 2.805 50 0 HFAAMO Cc1cccnc1CNC(=O)C[C@@H]1C(=O)NCC[N@H+]1Cc1cccc2ccccc21 ZINC000012449066 558649045 /nfs/dbraw/zinc/64/90/45/558649045.db2.gz ORQPHZLODGNITF-JOCHJYFZSA-N 1 1 402.498 2.550 50 0 HFAAMO Cc1cccnc1CNC(=O)C[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc2ccccc21 ZINC000012449066 558649047 /nfs/dbraw/zinc/64/90/47/558649047.db2.gz ORQPHZLODGNITF-JOCHJYFZSA-N 1 1 402.498 2.550 50 0 HFAAMO C[C@@H](CNC(=O)COc1ccc(N2CCCC2=O)cc1)[N@H+]1CCc2ccccc2C1 ZINC000025942307 558652661 /nfs/dbraw/zinc/65/26/61/558652661.db2.gz CQWZDIOMOAGFRS-SFHVURJKSA-N 1 1 407.514 2.755 50 0 HFAAMO CSCC[C@H]1NC(=S)N(Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)C1=O ZINC000032831173 558654890 /nfs/dbraw/zinc/65/48/90/558654890.db2.gz PVHDTNKTRRJBMQ-RVKKMQEKSA-N 1 1 407.605 2.634 50 0 HFAAMO Cc1cccc(N2CCN(C(=O)[C@@H]3CCC(=O)N(CCc4cccc(F)c4)C3)CC2)[nH+]1 ZINC000014959522 558683666 /nfs/dbraw/zinc/68/36/66/558683666.db2.gz OWNWUQWWEARSNO-HXUWFJFHSA-N 1 1 424.520 2.659 50 0 HFAAMO CC(C)C[C@@H](NC(=O)c1cccnc1)c1nnc2n1CC[N@@H+](Cc1ccoc1)CC2 ZINC000014999815 558697406 /nfs/dbraw/zinc/69/74/06/558697406.db2.gz QTTBCSSVNVGYBX-LJQANCHMSA-N 1 1 408.506 2.842 50 0 HFAAMO CC(C)C[C@@H](NC(=O)c1cccnc1)c1nnc2n1CC[N@H+](Cc1ccoc1)CC2 ZINC000014999815 558697409 /nfs/dbraw/zinc/69/74/09/558697409.db2.gz QTTBCSSVNVGYBX-LJQANCHMSA-N 1 1 408.506 2.842 50 0 HFAAMO CCOC(=O)N1CCC([N@H+]2CCC[C@@H](CNC(=O)Cc3ccc(OC)cc3)C2)CC1 ZINC000015079090 558718036 /nfs/dbraw/zinc/71/80/36/558718036.db2.gz UGORYTNJSFHTCZ-IBGZPJMESA-N 1 1 417.550 2.687 50 0 HFAAMO Cc1c[nH]c(CNC(=O)[C@H]2CCC[N@H+](C3CCN(CCc4ccccc4)CC3)C2)n1 ZINC000015080415 558718670 /nfs/dbraw/zinc/71/86/70/558718670.db2.gz SMNAXMLCXGSDKS-NRFANRHFSA-N 1 1 409.578 2.753 50 0 HFAAMO O=C(C[C@H]1Sc2ccccc2NC1=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000029882091 558723210 /nfs/dbraw/zinc/72/32/10/558723210.db2.gz HMJIUCAZKORAPD-HXUWFJFHSA-N 1 1 411.527 2.638 50 0 HFAAMO O=C(Nc1cccc(C(=O)OCC[NH+]2CCN(c3ccccc3)CC2)c1)[C@H]1CCCO1 ZINC000072310739 558777834 /nfs/dbraw/zinc/77/78/34/558777834.db2.gz PDIGUQPSSLSOPR-JOCHJYFZSA-N 1 1 423.513 2.783 50 0 HFAAMO COc1cc(OC)c(CN2CC[N@@H+](Cc3ccccc3)[C@H](CCO)C2)c(OC)c1 ZINC000039379598 558820622 /nfs/dbraw/zinc/82/06/22/558820622.db2.gz BTAIRJLACQBYSQ-LJQANCHMSA-N 1 1 400.519 2.781 50 0 HFAAMO CCOc1ccccc1C[N@@H+]1CCN(Cc2c(C)nn(CC)c2C)C[C@H]1CCO ZINC000039380889 558820666 /nfs/dbraw/zinc/82/06/66/558820666.db2.gz HIUJQSRPXCYGOB-OAQYLSRUSA-N 1 1 400.567 2.987 50 0 HFAAMO CCOc1ccccc1C[N@H+]1CCN(Cc2c(C)nn(CC)c2C)C[C@H]1CCO ZINC000039380889 558820668 /nfs/dbraw/zinc/82/06/68/558820668.db2.gz HIUJQSRPXCYGOB-OAQYLSRUSA-N 1 1 400.567 2.987 50 0 HFAAMO CCOc1ccccc1CN1CC[N@H+](Cc2c(C)nn(CC)c2C)C[C@H]1CCO ZINC000039380889 558820670 /nfs/dbraw/zinc/82/06/70/558820670.db2.gz HIUJQSRPXCYGOB-OAQYLSRUSA-N 1 1 400.567 2.987 50 0 HFAAMO CCOc1ccccc1CN1CC[N@@H+](Cc2c(C)nn(CC)c2C)C[C@H]1CCO ZINC000039380889 558820673 /nfs/dbraw/zinc/82/06/73/558820673.db2.gz HIUJQSRPXCYGOB-OAQYLSRUSA-N 1 1 400.567 2.987 50 0 HFAAMO Cc1ccc(-c2nnn(CC(=O)N3c4ccc(C)cc4[C@H]4C[N@@H+](C)CC[C@H]43)n2)cc1 ZINC000004594097 558831870 /nfs/dbraw/zinc/83/18/70/558831870.db2.gz TZMMNMNLKAIQRX-TZIWHRDSSA-N 1 1 402.502 2.791 50 0 HFAAMO Cc1nnc(C(=O)Nc2cccc(C(=O)NCCC[N@@H+]3CCC[C@@H](C)C3)c2)s1 ZINC000033022630 558838055 /nfs/dbraw/zinc/83/80/55/558838055.db2.gz PEZNBTLRKZDEPQ-CQSZACIVSA-N 1 1 401.536 2.951 50 0 HFAAMO CCNC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)C1 ZINC000058156939 558903056 /nfs/dbraw/zinc/90/30/56/558903056.db2.gz MFQWHQABPSIYAD-KRWDZBQOSA-N 1 1 411.550 2.956 50 0 HFAAMO CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)C1 ZINC000058156939 558903057 /nfs/dbraw/zinc/90/30/57/558903057.db2.gz MFQWHQABPSIYAD-KRWDZBQOSA-N 1 1 411.550 2.956 50 0 HFAAMO C[N@@H+](CCC(N)=O)Cc1c(C(=O)N2CCCCCCC2)nc2ccc(Cl)cn21 ZINC000071763650 558910340 /nfs/dbraw/zinc/91/03/40/558910340.db2.gz AJQSLEGRLCDADL-UHFFFAOYSA-N 1 1 405.930 2.701 50 0 HFAAMO C[C@H]1CN(Cc2c(C(=O)N(C)CCc3ccccc3)nc3sccn23)CC[N@H+]1C ZINC000071765156 558910704 /nfs/dbraw/zinc/91/07/04/558910704.db2.gz VGRSQNQEEJQQLZ-KRWDZBQOSA-N 1 1 411.575 2.846 50 0 HFAAMO CN(Cc1ncc[nH]1)C(=O)[C@@H]1CCC[N@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000071774979 558911432 /nfs/dbraw/zinc/91/14/32/558911432.db2.gz BVGIWVBQLFNUON-QGZVFWFLSA-N 1 1 422.533 2.890 50 0 HFAAMO CCn1c2ccccc2nc(SCC(=O)NCCC[N@H+]2CCCC[C@@H]2C)c1=O ZINC000033259816 558928499 /nfs/dbraw/zinc/92/84/99/558928499.db2.gz RXNRBRAEAVUIOQ-INIZCTEOSA-N 1 1 402.564 2.889 50 0 HFAAMO CS(=O)(=O)Nc1ccc(/C=C/C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000059850180 558939410 /nfs/dbraw/zinc/93/94/10/558939410.db2.gz UYULHYOIAZNEKC-QGFLDLQWSA-N 1 1 413.543 2.852 50 0 HFAAMO COc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)c3scnc3C)C2)CC1 ZINC000067755615 558992266 /nfs/dbraw/zinc/99/22/66/558992266.db2.gz IBPFHRHXBQTHSN-QGZVFWFLSA-N 1 1 400.548 2.887 50 0 HFAAMO Cc1cc(O)c([C@@H](c2ccccc2)[NH+]2CCN(C)CC2)c(=O)n1Cc1ccccn1 ZINC000023086520 558999892 /nfs/dbraw/zinc/99/98/92/558999892.db2.gz BLNFAVTUDSURTN-HSZRJFAPSA-N 1 1 404.514 2.642 50 0 HFAAMO CCN(C(=O)[C@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1)C1CCOCC1 ZINC000082106627 559038342 /nfs/dbraw/zinc/03/83/42/559038342.db2.gz VJIODIXCKHAQSS-NRFANRHFSA-N 1 1 414.594 2.786 50 0 HFAAMO CN(Cc1ccccn1)C(=O)[C@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082114820 559039101 /nfs/dbraw/zinc/03/91/01/559039101.db2.gz XUPVFLWGVRHJRH-NRFANRHFSA-N 1 1 407.562 2.812 50 0 HFAAMO Cc1cc(CN(C)C(=O)[C@@H]2CCC[N@H+](C3CCN(Cc4cccnc4)CC3)C2)on1 ZINC000082120102 559039144 /nfs/dbraw/zinc/03/91/44/559039144.db2.gz XWPNRIJRDCVJOA-HXUWFJFHSA-N 1 1 411.550 2.713 50 0 HFAAMO CN(Cc1nccs1)C(=O)[C@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082117003 559039266 /nfs/dbraw/zinc/03/92/66/559039266.db2.gz SMTKPQKTYIHMCR-IBGZPJMESA-N 1 1 413.591 2.873 50 0 HFAAMO O=C([C@@H]1CCC[N@H+](C2CCN(c3nc4ccccc4o3)CC2)C1)N1CCCOCC1 ZINC000082121878 559039688 /nfs/dbraw/zinc/03/96/88/559039688.db2.gz WMENPNDSWOYSRH-GOSISDBHSA-N 1 1 412.534 2.758 50 0 HFAAMO COCCCNC(=O)[C@H]1CCC[N@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000091757619 559073583 /nfs/dbraw/zinc/07/35/83/559073583.db2.gz XCIBHMUDBSVYSB-KRWDZBQOSA-N 1 1 400.523 2.661 50 0 HFAAMO C[NH+]1CCC(N2CCC(Oc3cccc(C(=O)NC[C@@H]4CCCO4)c3)CC2)CC1 ZINC000095497512 559081775 /nfs/dbraw/zinc/08/17/75/559081775.db2.gz FPYLRHWVMPTKBZ-QFIPXVFZSA-N 1 1 401.551 2.533 50 0 HFAAMO COc1ccccc1NC(=O)N1CCC2(CCC(=O)N([C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000095515388 559084498 /nfs/dbraw/zinc/08/44/98/559084498.db2.gz WKPDREOHNQDLII-KRWDZBQOSA-N 1 1 400.523 2.636 50 0 HFAAMO O=C1C[C@@H]([NH2+]Cc2ccc3c(c2)OCO3)C(=O)N1c1cccc(Br)c1 ZINC000096471173 559110543 /nfs/dbraw/zinc/11/05/43/559110543.db2.gz BVSFUMVOSNOWCE-CQSZACIVSA-N 1 1 403.232 2.600 50 0 HFAAMO O=C(NCCc1ccc(F)cc1)[C@@H]1CCC[N@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000011699887 559190014 /nfs/dbraw/zinc/19/00/14/559190014.db2.gz AIWJHFPFIOPOSW-LJQANCHMSA-N 1 1 401.526 2.597 50 0 HFAAMO C[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CCC1 ZINC000004971558 559220594 /nfs/dbraw/zinc/22/05/94/559220594.db2.gz LIXASXCVRWPERT-MRXNPFEDSA-N 1 1 405.564 2.529 50 0 HFAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)Cc1n[nH]c(=O)c2ccccc12 ZINC000409414717 559250217 /nfs/dbraw/zinc/25/02/17/559250217.db2.gz VFTBHNFULQZKLJ-UWJYYQICSA-N 1 1 412.534 2.617 50 0 HFAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(c2nnc(-n3cccc3)s2)CC1 ZINC000005144130 559252255 /nfs/dbraw/zinc/25/22/55/559252255.db2.gz AHZNMLCYWYDUEB-KRWDZBQOSA-N 1 1 416.595 2.926 50 0 HFAAMO CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)CCc2ccncc2)CC1 ZINC000011817133 559260546 /nfs/dbraw/zinc/26/05/46/559260546.db2.gz ODCBJGZBAGWWLC-NRFANRHFSA-N 1 1 400.567 2.634 50 0 HFAAMO COc1cc2c(cc1OC)C[N@H+](Cc1coc(=O)c(C[NH+]3CCCC3)c1[O-])CC2 ZINC000100796321 559268196 /nfs/dbraw/zinc/26/81/96/559268196.db2.gz ZCWWCOUUUKADOI-UHFFFAOYSA-N 1 1 400.475 2.517 50 0 biogenic HFAAMO COc1cc2c(cc1OC)C[N@@H+](Cc1coc(=O)c(C[NH+]3CCCC3)c1[O-])CC2 ZINC000100796321 559268197 /nfs/dbraw/zinc/26/81/97/559268197.db2.gz ZCWWCOUUUKADOI-UHFFFAOYSA-N 1 1 400.475 2.517 50 0 biogenic HFAAMO CC1CC[NH+]([C@@H](CNS(=O)(=O)c2ccc3c(c2)OCCO3)c2ccco2)CC1 ZINC000011999600 559270550 /nfs/dbraw/zinc/27/05/50/559270550.db2.gz MVUNVJBAQLVOEJ-KRWDZBQOSA-N 1 1 406.504 2.802 50 0 HFAAMO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3CCCN3Cc3ccccc3)cc2)C1 ZINC000250642102 559276660 /nfs/dbraw/zinc/27/66/60/559276660.db2.gz FSYUFJPGQWHLDD-FYYLOGMGSA-N 1 1 420.557 2.987 50 0 HFAAMO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3CCCN3Cc3ccccc3)cc2)C1 ZINC000250642102 559276661 /nfs/dbraw/zinc/27/66/61/559276661.db2.gz FSYUFJPGQWHLDD-FYYLOGMGSA-N 1 1 420.557 2.987 50 0 HFAAMO C[NH+]1CCN(c2ccc(-c3ccc(NC(=O)COc4ccccc4)cc3)nn2)CC1 ZINC000005259399 560552610 /nfs/dbraw/zinc/55/26/10/560552610.db2.gz VXLAKAFESJLIKH-UHFFFAOYSA-N 1 1 403.486 2.913 50 0 HFAAMO CS(=O)(=O)c1ccc2nc(NC(=O)COc3cc[nH+]c4c3CCCC4)sc2c1 ZINC000207012492 560755827 /nfs/dbraw/zinc/75/58/27/560755827.db2.gz PSHRTTYIKURPFH-UHFFFAOYSA-N 1 1 417.512 2.991 50 0 HFAAMO COCCCN(C[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)COc1ccc2c(c1)OCO2 ZINC000583647569 560778834 /nfs/dbraw/zinc/77/88/34/560778834.db2.gz KWYYKALNXIXNJL-ICSRJNTNSA-N 1 1 418.534 2.924 50 0 biogenic HFAAMO Cc1ccc(N2C(=O)C[C@H]([NH+]3CCC(C(=O)NCc4ccccc4)CC3)C2=O)c(C)c1 ZINC000101490784 560795955 /nfs/dbraw/zinc/79/59/55/560795955.db2.gz WMYNNZGZBQXDEF-QFIPXVFZSA-N 1 1 419.525 2.964 50 0 HFAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)CCN2C(=O)CSc3ccccc32)ccn1 ZINC000047013648 560879751 /nfs/dbraw/zinc/87/97/51/560879751.db2.gz QWNQGPAZNJRXCH-UHFFFAOYSA-N 1 1 407.499 2.721 50 0 HFAAMO O=S(=O)(CCc1ccccc1)NC[C@H](c1ccc2c(c1)OCO2)[NH+]1CCCC1 ZINC000012197487 560891886 /nfs/dbraw/zinc/89/18/86/560891886.db2.gz KYEOPRCMLYGLKJ-LJQANCHMSA-N 1 1 402.516 2.714 50 0 HFAAMO CC(C)CNC(=O)c1ccc(NC(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)cc1Cl ZINC000108093705 560897948 /nfs/dbraw/zinc/89/79/48/560897948.db2.gz BDFABTFVFOQPNA-GJZGRUSLSA-N 1 1 410.946 2.645 50 0 HFAAMO CC(C)CNC(=O)c1ccc(NC(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)cc1Cl ZINC000108093705 560897949 /nfs/dbraw/zinc/89/79/49/560897949.db2.gz BDFABTFVFOQPNA-GJZGRUSLSA-N 1 1 410.946 2.645 50 0 HFAAMO CCCn1c2ccccc2n(CC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1=O ZINC000048290802 568435178 /nfs/dbraw/zinc/43/51/78/568435178.db2.gz AWKKWPPLFVVFFL-FQEVSTJZSA-N 1 1 406.530 2.994 50 0 HFAAMO NC(=O)NC(=O)CCC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000048310323 568436679 /nfs/dbraw/zinc/43/66/79/568436679.db2.gz FOOXYROAIAZVDP-CQSZACIVSA-N 1 1 401.294 2.762 50 0 HFAAMO Cc1ccc(OCCN(C)C(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)cc1 ZINC000048326713 568439720 /nfs/dbraw/zinc/43/97/20/568439720.db2.gz XWWSUWTVEPQQHX-OAQYLSRUSA-N 1 1 410.518 2.987 50 0 HFAAMO Cc1ccc(OCCN(C)C(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)cc1 ZINC000048326713 568439721 /nfs/dbraw/zinc/43/97/21/568439721.db2.gz XWWSUWTVEPQQHX-OAQYLSRUSA-N 1 1 410.518 2.987 50 0 HFAAMO Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000048326596 568439778 /nfs/dbraw/zinc/43/97/78/568439778.db2.gz QQPBCBPGYPBDQC-QFIPXVFZSA-N 1 1 422.508 2.639 50 0 HFAAMO O=C1Nc2ccccc2[C@@]12[C@@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000049604896 568452514 /nfs/dbraw/zinc/45/25/14/568452514.db2.gz XZNKNZORGMFLEV-RQXXJAGISA-N 1 1 407.857 2.771 50 0 biogenic HFAAMO CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)CN1CC[NH+](C)CC1 ZINC000019911526 568585655 /nfs/dbraw/zinc/58/56/55/568585655.db2.gz APIIUIFULDOFLS-UHFFFAOYSA-N 1 1 417.531 2.786 50 0 HFAAMO COc1ccc(-c2nc(CSCC(=O)NCCC[NH+]3CCOCC3)c(C)o2)cc1 ZINC000020241062 568595817 /nfs/dbraw/zinc/59/58/17/568595817.db2.gz IQJHUAHFIVUKBW-UHFFFAOYSA-N 1 1 419.547 2.730 50 0 HFAAMO CC[C@@H]1CN(C(=O)Cc2ccc(NC(=O)OC(C)(C)C)cc2)CC[N@H+]1C[C@@H](C)O ZINC000095403652 568605697 /nfs/dbraw/zinc/60/56/97/568605697.db2.gz OTJSLRTUMMSBFO-VQIMIIECSA-N 1 1 405.539 2.880 50 0 HFAAMO CC[NH+]1CCN(C(=O)CCCn2c(C)c3cnn(-c4ccccc4)c(=O)c3c2C)CC1 ZINC000020416995 568606516 /nfs/dbraw/zinc/60/65/16/568606516.db2.gz VNWNOYWWLZPGBM-UHFFFAOYSA-N 1 1 421.545 2.748 50 0 HFAAMO CC(C)c1cc(C(=O)OCC(=O)N2CCO[C@@H]3CCCC[C@@H]32)nn1-c1cc[nH+]cc1 ZINC000095431971 568609118 /nfs/dbraw/zinc/60/91/18/568609118.db2.gz UKBINMDQQDPLLM-AZUAARDMSA-N 1 1 412.490 2.718 50 0 HFAAMO COC(=O)CC[N@@H+]1CCN(C(=O)c2cc(C3CC3)nc3onc(C(C)C)c32)C[C@H]1C ZINC000095465414 568623457 /nfs/dbraw/zinc/62/34/57/568623457.db2.gz KBGGEIOFHHIBDU-CQSZACIVSA-N 1 1 414.506 2.933 50 0 HFAAMO COC(=O)CC[N@H+]1CCN(C(=O)c2cc(C3CC3)nc3onc(C(C)C)c32)C[C@H]1C ZINC000095465414 568623459 /nfs/dbraw/zinc/62/34/59/568623459.db2.gz KBGGEIOFHHIBDU-CQSZACIVSA-N 1 1 414.506 2.933 50 0 HFAAMO COc1ccccc1CN(C)C(=O)C[N@H+]1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000095995469 568678320 /nfs/dbraw/zinc/67/83/20/568678320.db2.gz MQXJSIPYOYMMMI-IAGOWNOFSA-N 1 1 405.539 2.889 50 0 HFAAMO CS(=O)(=O)Nc1c[nH]nc1[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000096000083 568680812 /nfs/dbraw/zinc/68/08/12/568680812.db2.gz XREJUWSEYXXXLM-HNNXBMFYSA-N 1 1 400.508 2.551 50 0 HFAAMO COC(=O)C1=C(C)C=C([NH+]2CCOCC2)[C@@H](C(=O)OC)[C@@H]1c1ccc(Cl)cc1 ZINC000012402743 568710429 /nfs/dbraw/zinc/71/04/29/568710429.db2.gz RNBGLWZBJRVNBX-RTBURBONSA-N 1 1 405.878 2.932 50 0 HFAAMO O=C(c1cccn1-c1nnc(N2CCCC2)s1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000021535210 568711980 /nfs/dbraw/zinc/71/19/80/568711980.db2.gz RHPPGSSENSADDH-UHFFFAOYSA-N 1 1 422.558 2.887 50 0 HFAAMO C[N@@H+]1CCN(C(=O)C[C@@H](NC(N)=O)c2ccc(Cl)cc2)[C@@H](c2ccccc2)C1 ZINC000229621744 568714732 /nfs/dbraw/zinc/71/47/32/568714732.db2.gz HCKYPAXWOZPWRV-RTBURBONSA-N 1 1 400.910 2.955 50 0 HFAAMO C[N@H+]1CCN(C(=O)C[C@@H](NC(N)=O)c2ccc(Cl)cc2)[C@@H](c2ccccc2)C1 ZINC000229621744 568714733 /nfs/dbraw/zinc/71/47/33/568714733.db2.gz HCKYPAXWOZPWRV-RTBURBONSA-N 1 1 400.910 2.955 50 0 HFAAMO C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000096311010 568724708 /nfs/dbraw/zinc/72/47/08/568724708.db2.gz BPKXUMSTDSCEJM-GOSISDBHSA-N 1 1 414.575 2.730 50 0 HFAAMO CN(C)C(=O)c1cc2c(s1)CC[C@@H](C(=O)N1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000096398252 568746980 /nfs/dbraw/zinc/74/69/80/568746980.db2.gz UDQQPNLOKOFPTH-GOSISDBHSA-N 1 1 411.571 2.899 50 0 HFAAMO CC(=O)N1c2ccc(S(=O)(=O)NC[C@H](c3ccccc3)[NH+](C)C)cc2C[C@@H]1C ZINC000097023852 568766354 /nfs/dbraw/zinc/76/63/54/568766354.db2.gz NWNJMIPSVQMULM-YCRPNKLZSA-N 1 1 401.532 2.565 50 0 HFAAMO CC(C)[C@H](CNC(=O)c1cccc(NS(C)(=O)=O)c1)[N@H+]1CCc2ccccc2C1 ZINC000025539092 568775244 /nfs/dbraw/zinc/77/52/44/568775244.db2.gz ALHUZNVEFKTQCC-NRFANRHFSA-N 1 1 415.559 2.871 50 0 HFAAMO Cc1cccc(N2CC[N@@H+](CCCNC(=O)c3nc(-c4cccnc4)no3)[C@@H](C)C2)c1 ZINC000029042444 568815740 /nfs/dbraw/zinc/81/57/40/568815740.db2.gz LBCGZHCUSUIQSD-SFHVURJKSA-N 1 1 420.517 2.771 50 0 HFAAMO C[N@@H+]1CCN(C(=O)C[C@@H](NC(N)=O)c2ccccc2Cl)[C@H](c2ccccc2)C1 ZINC000230168352 568853549 /nfs/dbraw/zinc/85/35/49/568853549.db2.gz KURDBSUABPTSCX-MOPGFXCFSA-N 1 1 400.910 2.955 50 0 HFAAMO C[N@H+]1CCN(C(=O)C[C@@H](NC(N)=O)c2ccccc2Cl)[C@H](c2ccccc2)C1 ZINC000230168352 568853551 /nfs/dbraw/zinc/85/35/51/568853551.db2.gz KURDBSUABPTSCX-MOPGFXCFSA-N 1 1 400.910 2.955 50 0 HFAAMO Cc1ccc(NC(=O)C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)cc1S(=O)(=O)N(C)C ZINC000230172537 568853907 /nfs/dbraw/zinc/85/39/07/568853907.db2.gz NKJCUTHRRPOFAJ-IAGOWNOFSA-N 1 1 411.593 2.544 50 0 HFAAMO Cc1ccc(NC(=O)C[N@H+]2CCS[C@@H]3CCCC[C@H]32)cc1S(=O)(=O)N(C)C ZINC000230172537 568853908 /nfs/dbraw/zinc/85/39/08/568853908.db2.gz NKJCUTHRRPOFAJ-IAGOWNOFSA-N 1 1 411.593 2.544 50 0 HFAAMO CC[NH+]1CCN(C(=O)c2cc(S(=O)(=O)N(C)c3ccccc3)ccc2Cl)CC1 ZINC000003216063 568862554 /nfs/dbraw/zinc/86/25/54/568862554.db2.gz GDJCBIHBFXYEIE-UHFFFAOYSA-N 1 1 421.950 2.943 50 0 HFAAMO CCOC(=O)c1c(NC(=O)C[N@@H+]2CCCC[C@H]2CC(N)=O)sc2c1CC[C@@H](C)C2 ZINC000058159978 568894185 /nfs/dbraw/zinc/89/41/85/568894185.db2.gz YWDGFNXCIAZBNC-KGLIPLIRSA-N 1 1 421.563 2.718 50 0 HFAAMO CCOC(=O)c1c(NC(=O)C[N@H+]2CCCC[C@H]2CC(N)=O)sc2c1CC[C@@H](C)C2 ZINC000058159978 568894188 /nfs/dbraw/zinc/89/41/88/568894188.db2.gz YWDGFNXCIAZBNC-KGLIPLIRSA-N 1 1 421.563 2.718 50 0 HFAAMO O=C(N[C@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3)c1ccc2scnc2c1 ZINC000670442967 568902593 /nfs/dbraw/zinc/90/25/93/568902593.db2.gz DSKWDYCWDBTXDZ-QKTWPWEVSA-N 1 1 404.539 2.594 50 0 HFAAMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2ccc(N3Cc4ccccc4C3)cc2)C1 ZINC000670456506 568935267 /nfs/dbraw/zinc/93/52/67/568935267.db2.gz MEUATNGNOCQQKC-NRFANRHFSA-N 1 1 406.530 2.524 50 0 HFAAMO O=C(C[NH+]1CCC([C@@H](O)c2ccccc2)CC1)Nc1cccc(C(=O)NC2CC2)c1 ZINC000012754459 568942495 /nfs/dbraw/zinc/94/24/95/568942495.db2.gz SYVOWPALQSPMEO-QHCPKHFHSA-N 1 1 407.514 2.963 50 0 HFAAMO COc1ccc2c(c1)C[C@H](C(=O)NCC[NH+]1CCN(c3cccc(C)c3C)CC1)CO2 ZINC000059560470 568959661 /nfs/dbraw/zinc/95/96/61/568959661.db2.gz JYVRTCROYORAFR-NRFANRHFSA-N 1 1 423.557 2.802 50 0 HFAAMO NC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3cc4ccccc4o3)C[C@H]2c2ccco2)C1 ZINC000008133097 568976283 /nfs/dbraw/zinc/97/62/83/568976283.db2.gz GIAUZXRYCJMIFS-WMZOPIPTSA-N 1 1 420.469 2.901 50 0 HFAAMO NC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3cc4ccccc4o3)C[C@H]2c2ccco2)C1 ZINC000008133097 568976285 /nfs/dbraw/zinc/97/62/85/568976285.db2.gz GIAUZXRYCJMIFS-WMZOPIPTSA-N 1 1 420.469 2.901 50 0 HFAAMO C[N@@H+](CCNC(=O)[C@H]1CCCN(c2nnc(-n3cccc3)s2)C1)C1CCCCC1 ZINC000015728148 568978841 /nfs/dbraw/zinc/97/88/41/568978841.db2.gz VFQSNZCNWHMHNZ-KRWDZBQOSA-N 1 1 416.595 2.926 50 0 HFAAMO COc1ccc(C[N@@H+]2CCN(Cc3nc4ccccc4n3C)C[C@H]2CCO)cc1C ZINC000104304747 569008199 /nfs/dbraw/zinc/00/81/99/569008199.db2.gz UGMFEBWAPWNEKQ-HXUWFJFHSA-N 1 1 408.546 2.959 50 0 HFAAMO COc1ccc(C[N@H+]2CCN(Cc3nc4ccccc4n3C)C[C@H]2CCO)cc1C ZINC000104304747 569008200 /nfs/dbraw/zinc/00/82/00/569008200.db2.gz UGMFEBWAPWNEKQ-HXUWFJFHSA-N 1 1 408.546 2.959 50 0 HFAAMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CSc2nnc(C(F)(F)F)n2C)CC1 ZINC000012849236 569010217 /nfs/dbraw/zinc/01/02/17/569010217.db2.gz PJLZFGWEOSMIQS-CYBMUJFWSA-N 1 1 413.469 2.831 50 0 HFAAMO CC(C)C[C@@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000035374766 569033979 /nfs/dbraw/zinc/03/39/79/569033979.db2.gz FSSWUDMQQDPNJI-RBUKOAKNSA-N 1 1 409.486 2.599 50 0 HFAAMO Cc1nc(-c2ccc(C)c(S(=O)(=O)N3CC[NH+](C4CCCCC4)CC3)c2)no1 ZINC000035556865 569044676 /nfs/dbraw/zinc/04/46/76/569044676.db2.gz IAKOYBQMZGRXNK-UHFFFAOYSA-N 1 1 404.536 2.992 50 0 HFAAMO CN(Cc1c(F)cccc1Cl)C(=O)C[NH+]1CCC(c2nnc3cnccn32)CC1 ZINC000089350734 569058621 /nfs/dbraw/zinc/05/86/21/569058621.db2.gz SOZYVISYFLYPQF-UHFFFAOYSA-N 1 1 416.888 2.755 50 0 HFAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)C2CCN(c3ccc(N4CCCC4)nn3)CC2)C1 ZINC000033256139 569059396 /nfs/dbraw/zinc/05/93/96/569059396.db2.gz QDFWOOJMUBKNNG-LJQANCHMSA-N 1 1 414.598 2.531 50 0 HFAAMO COCC[N@H+](Cc1cc(OC)cc(OC)c1)C[C@H](O)COc1ccc(OC)cc1 ZINC000036095040 569089681 /nfs/dbraw/zinc/08/96/81/569089681.db2.gz VCMZXVKQGPOQJU-SFHVURJKSA-N 1 1 405.491 2.601 50 0 HFAAMO COCC[N@@H+](Cc1cccc(OC)c1OC)C[C@@H](O)COc1ccc(OC)cc1 ZINC000036097126 569090280 /nfs/dbraw/zinc/09/02/80/569090280.db2.gz DKEOESASXCFUGZ-GOSISDBHSA-N 1 1 405.491 2.601 50 0 HFAAMO COCC[N@H+](Cc1cccc(OC)c1OC)C[C@@H](O)COc1ccc(OC)cc1 ZINC000036097126 569090282 /nfs/dbraw/zinc/09/02/82/569090282.db2.gz DKEOESASXCFUGZ-GOSISDBHSA-N 1 1 405.491 2.601 50 0 HFAAMO CCCC(=O)OC[C@H](O)C[N@@H+](CCC)Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000036158675 569102348 /nfs/dbraw/zinc/10/23/48/569102348.db2.gz DGJGDDSKMGEGOQ-CQSZACIVSA-N 1 1 421.563 2.780 50 0 HFAAMO CCCC(=O)OC[C@H](O)C[N@H+](CCC)Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000036158675 569102350 /nfs/dbraw/zinc/10/23/50/569102350.db2.gz DGJGDDSKMGEGOQ-CQSZACIVSA-N 1 1 421.563 2.780 50 0 HFAAMO CCC[N@@H+](Cc1nc(=O)c2c(-c3ccc(OC)cc3)csc2[nH]1)C[C@@H](O)COC ZINC000036207874 569109851 /nfs/dbraw/zinc/10/98/51/569109851.db2.gz IHPAXPXNFWUQKJ-OAHLLOKOSA-N 1 1 417.531 2.880 50 0 HFAAMO CCC[N@H+](Cc1nc(=O)c2c(-c3ccc(OC)cc3)csc2[nH]1)C[C@@H](O)COC ZINC000036207874 569109853 /nfs/dbraw/zinc/10/98/53/569109853.db2.gz IHPAXPXNFWUQKJ-OAHLLOKOSA-N 1 1 417.531 2.880 50 0 HFAAMO COc1ccc(NC(=O)N2CC[NH+]([C@H](C(=O)NC(C)C)C3CCCC3)CC2)cc1 ZINC000036310425 569131669 /nfs/dbraw/zinc/13/16/69/569131669.db2.gz RWWOOVMTUWSEGG-FQEVSTJZSA-N 1 1 402.539 2.928 50 0 HFAAMO COc1cc(CN2CC[N@@H+](CCCc3ccccc3)[C@H](CCO)C2)cc(OC)c1O ZINC000036379411 569154555 /nfs/dbraw/zinc/15/45/55/569154555.db2.gz IUPGIWDYFGKKFV-OAQYLSRUSA-N 1 1 414.546 2.911 50 0 HFAAMO CCOc1ccc(S(=O)(=O)NC[C@@H](c2ccc(OC)c(OC)c2)[NH+](C)C)cc1 ZINC000007062161 569217004 /nfs/dbraw/zinc/21/70/04/569217004.db2.gz ORIXMJCRFWHPMI-SFHVURJKSA-N 1 1 408.520 2.684 50 0 HFAAMO CC[C@H](C)[N@@H+](CCCNC(=O)c1c(C)oc2ncn(C)c(=O)c21)Cc1ccco1 ZINC000065329547 569224765 /nfs/dbraw/zinc/22/47/65/569224765.db2.gz PIODIUUXSISJIG-AWEZNQCLSA-N 1 1 400.479 2.849 50 0 HFAAMO COc1ccc(-c2nc(C(=O)N3CC[N@H+](CC(C)(C)O)[C@@H](C)C3)cs2)cc1OC ZINC000170602675 569243759 /nfs/dbraw/zinc/24/37/59/569243759.db2.gz DYWGJFWLGLDYTD-AWEZNQCLSA-N 1 1 419.547 2.745 50 0 HFAAMO COc1ccc(-c2nc(C(=O)N3CC[N@@H+](CC(C)(C)O)[C@@H](C)C3)cs2)cc1OC ZINC000170602675 569243760 /nfs/dbraw/zinc/24/37/60/569243760.db2.gz DYWGJFWLGLDYTD-AWEZNQCLSA-N 1 1 419.547 2.745 50 0 HFAAMO C[C@@H]1CN(C(=O)COc2ccc(Cl)cc2Br)CC[N@H+]1CC(C)(C)O ZINC000170602686 569243779 /nfs/dbraw/zinc/24/37/79/569243779.db2.gz WROSTYAGENRUKJ-GFCCVEGCSA-N 1 1 419.747 2.785 50 0 HFAAMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000252506163 569291268 /nfs/dbraw/zinc/29/12/68/569291268.db2.gz RCJZEOFAUUSDOA-UWWQBHOKSA-N 1 1 411.468 2.853 50 0 HFAAMO O=C(C[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)N1CCc2ccccc21 ZINC000007875081 569315042 /nfs/dbraw/zinc/31/50/42/569315042.db2.gz WDYTUBXRQMOOIP-UHFFFAOYSA-N 1 1 407.470 2.655 50 0 HFAAMO Cc1ccncc1C(=O)N1CCC2(CC1)C[C@@H](N1CC[NH+](CC(C)C)CC1)CCO2 ZINC000581820141 569320960 /nfs/dbraw/zinc/32/09/60/569320960.db2.gz UMZZNWDBXDHYJU-NRFANRHFSA-N 1 1 414.594 2.817 50 0 HFAAMO COc1ccc(-c2cc(C(=O)N3CC[NH+](CCn4c(C)ccc4C)CC3)[nH]n2)cc1 ZINC000013366607 569412176 /nfs/dbraw/zinc/41/21/76/569412176.db2.gz OUPGGOAMJKIIIH-UHFFFAOYSA-N 1 1 407.518 2.962 50 0 HFAAMO C[C@H](CNC(=O)C(C)(C)NC(=O)Nc1ccccc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000078902911 569421534 /nfs/dbraw/zinc/42/15/34/569421534.db2.gz PQWGRFNISKFRDS-LJQANCHMSA-N 1 1 423.561 2.914 50 0 HFAAMO O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000079188499 569429058 /nfs/dbraw/zinc/42/90/58/569429058.db2.gz ZIRFAXVFKKGSIP-FXAWDEMLSA-N 1 1 414.937 2.944 50 0 biogenic HFAAMO CCn1cc(C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)c(=O)c2cc3c(cc21)OCO3 ZINC000079189231 569429178 /nfs/dbraw/zinc/42/91/78/569429178.db2.gz PIOBESFKYOPPQX-MAUKXSAKSA-N 1 1 411.502 2.744 50 0 biogenic HFAAMO CCOC(=O)C1C(C[NH+]2CCCCCC2)=NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000067285873 571064618 /nfs/dbraw/zinc/06/46/18/571064618.db2.gz QWYSSANSESLCSU-HXUWFJFHSA-N 1 1 417.506 2.751 50 0 HFAAMO CCC[N@@H+]1CCc2nc(SCC(=O)Nc3cc(C)ccc3OC)[nH]c(=O)c2C1 ZINC000067291875 571068372 /nfs/dbraw/zinc/06/83/72/571068372.db2.gz LBBYVQIKDHQJDV-UHFFFAOYSA-N 1 1 402.520 2.998 50 0 HFAAMO CCC[N@H+]1CCc2nc(SCC(=O)Nc3cc(C)ccc3OC)[nH]c(=O)c2C1 ZINC000067291875 571068374 /nfs/dbraw/zinc/06/83/74/571068374.db2.gz LBBYVQIKDHQJDV-UHFFFAOYSA-N 1 1 402.520 2.998 50 0 HFAAMO CC(C)c1[nH+]ccn1CCCNS(=O)(=O)c1ccc(N2CCCCC2=O)cc1 ZINC000670472584 571090610 /nfs/dbraw/zinc/09/06/10/571090610.db2.gz KVFADRVIHMALMU-UHFFFAOYSA-N 1 1 404.536 2.892 50 0 HFAAMO CCc1ccc([C@H]([NH2+]CC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c2cccs2)cc1 ZINC000039990632 571136644 /nfs/dbraw/zinc/13/66/44/571136644.db2.gz XMMQJULDTHWQQE-XLIONFOSSA-N 1 1 406.573 2.635 50 0 HFAAMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)C[C@H](C)O1 ZINC000040069320 571149572 /nfs/dbraw/zinc/14/95/72/571149572.db2.gz CDZJPQDNQHEVBY-OWCLPIDISA-N 1 1 407.942 2.697 50 0 HFAAMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)C[C@H](C)O1 ZINC000040069320 571149575 /nfs/dbraw/zinc/14/95/75/571149575.db2.gz CDZJPQDNQHEVBY-OWCLPIDISA-N 1 1 407.942 2.697 50 0 HFAAMO Cc1ccc(NC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)cc1S(N)(=O)=O ZINC000040082816 571156590 /nfs/dbraw/zinc/15/65/90/571156590.db2.gz HHEMPDJLLGSUGX-HZPDHXFCSA-N 1 1 417.531 2.504 50 0 HFAAMO C[C@@H]1Cc2cc(S(=O)(=O)NCC[N@H+]3CCCC[C@H]3C)ccc2N1C(=O)C1CC1 ZINC000245245967 571220491 /nfs/dbraw/zinc/22/04/91/571220491.db2.gz XQIUOHMVPFMFTB-HZPDHXFCSA-N 1 1 405.564 2.527 50 0 HFAAMO O=C(NCc1cnn(-c2ccccc2)c1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000069951457 571251160 /nfs/dbraw/zinc/25/11/60/571251160.db2.gz ZVEKAVOOFQQWAE-UHFFFAOYSA-N 1 1 405.502 2.704 50 0 HFAAMO CC[C@H]1Oc2ccc(C)cc2N(CC(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1=O ZINC000004687193 132283019 /nfs/dbraw/zinc/28/30/19/132283019.db2.gz JNQCSOORLKPOAC-WSTZPKSXSA-N 1 1 401.551 2.983 50 0 HFAAMO CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C[NH2+]Cc1ccco1 ZINC000006712346 132313386 /nfs/dbraw/zinc/31/33/86/132313386.db2.gz CJKZGXRUYYAICZ-UHFFFAOYSA-N 1 1 403.479 2.642 50 0 HFAAMO Cc1cc(C)c2c(n1)SCC(=O)N2CC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000006802854 132317634 /nfs/dbraw/zinc/31/76/34/132317634.db2.gz XOSKASMNORHFPL-GASCZTMLSA-N 1 1 404.580 2.621 50 0 HFAAMO CCCC[N@@H+](CC)CCCNC(=O)c1c(C)oc2ncnc(N3CCOCC3)c21 ZINC000008596232 132331032 /nfs/dbraw/zinc/33/10/32/132331032.db2.gz VVIRFJXUIYPERR-UHFFFAOYSA-N 1 1 403.527 2.610 50 0 HFAAMO CC[C@H](CNC(=O)COc1ccc2c(c1)CCC(=O)N2)[N@H+]1CCc2ccccc2C1 ZINC000032447360 522174220 /nfs/dbraw/zinc/17/42/20/522174220.db2.gz MEBVLTRHFYWJSD-HXUWFJFHSA-N 1 1 407.514 2.903 50 0 HFAAMO C[C@H](CNC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1)[N@@H+]1CCc2sccc2C1 ZINC000042726966 524449449 /nfs/dbraw/zinc/44/94/49/524449449.db2.gz FXGVVSVXCUFNJY-AEFFLSMTSA-N 1 1 404.580 2.539 50 0 HFAAMO C[C@H](CNC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1)[N@H+]1CCc2sccc2C1 ZINC000042726966 524449462 /nfs/dbraw/zinc/44/94/62/524449462.db2.gz FXGVVSVXCUFNJY-AEFFLSMTSA-N 1 1 404.580 2.539 50 0 HFAAMO Cc1ccc(Oc2ncccc2CNC(=O)C[C@H]2CN(C)CC[N@H+]2C)c(F)c1F ZINC000020540083 525478714 /nfs/dbraw/zinc/47/87/14/525478714.db2.gz WRFJVTPJZPSQRH-INIZCTEOSA-N 1 1 404.461 2.713 50 0 HFAAMO Cc1ccc(Oc2ncccc2CNC(=O)C[C@H]2C[N@@H+](C)CCN2C)c(F)c1F ZINC000020540083 525478725 /nfs/dbraw/zinc/47/87/25/525478725.db2.gz WRFJVTPJZPSQRH-INIZCTEOSA-N 1 1 404.461 2.713 50 0 HFAAMO Cc1ccc(Oc2ncccc2CNC(=O)C[C@H]2C[N@H+](C)CCN2C)c(F)c1F ZINC000020540083 525478738 /nfs/dbraw/zinc/47/87/38/525478738.db2.gz WRFJVTPJZPSQRH-INIZCTEOSA-N 1 1 404.461 2.713 50 0 HFAAMO Cn1cnnc1Sc1ccc(CN2CC[N@H+](Cc3cccs3)[C@@H](CCO)C2)o1 ZINC000020535291 527530061 /nfs/dbraw/zinc/53/00/61/527530061.db2.gz DLTANKVOIZPZMM-HNNXBMFYSA-N 1 1 419.576 2.690 50 0 HFAAMO Cn1cnnc1Sc1ccc(CN2CC[N@@H+](Cc3cccs3)[C@@H](CCO)C2)o1 ZINC000020535291 527530062 /nfs/dbraw/zinc/53/00/62/527530062.db2.gz DLTANKVOIZPZMM-HNNXBMFYSA-N 1 1 419.576 2.690 50 0 HFAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)Nc1ccc(C(=O)NC2CC2)cc1 ZINC000043918355 527572534 /nfs/dbraw/zinc/57/25/34/527572534.db2.gz QNAXMCRZDMAKIP-UHFFFAOYSA-N 1 1 400.523 2.735 50 0 HFAAMO COC(=O)[C@H](CCSC)NC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000005321979 536664114 /nfs/dbraw/zinc/66/41/14/536664114.db2.gz FKRRKHPSEVTVGO-HNNXBMFYSA-N 1 1 414.959 2.508 50 0 HFAAMO C[C@H](NC(=O)c1cc(F)ccc1F)c1nnc2n1CC[N@H+](Cc1cccnc1)CC2 ZINC000011791093 558277553 /nfs/dbraw/zinc/27/75/53/558277553.db2.gz BHCIYRONLKGULN-AWEZNQCLSA-N 1 1 412.444 2.501 50 0 HFAAMO Cc1ccsc1C(=O)N1CC[C@@H]([NH+]2CCN(c3ccccc3F)CC2)[C@H](O)C1 ZINC000019771061 558279797 /nfs/dbraw/zinc/27/97/97/558279797.db2.gz LDVMTKYGCQNCLW-RTBURBONSA-N 1 1 403.523 2.593 50 0 HFAAMO COc1ccc(C[N@H+]2CCN(Cc3ccc4nonc4c3)C[C@@H]2CCO)c(C)c1C ZINC000019791324 558282722 /nfs/dbraw/zinc/28/27/22/558282722.db2.gz JXHFFXFFDRRNCZ-FQEVSTJZSA-N 1 1 410.518 2.917 50 0 HFAAMO O[C@H](COc1cccc(-c2nnco2)c1)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000019875056 558300006 /nfs/dbraw/zinc/30/00/06/558300006.db2.gz RAOMHBLTGSABBM-IBGZPJMESA-N 1 1 414.893 2.952 50 0 HFAAMO C[NH+]1CCN(C(=O)CCn2nc(-c3ccc(Cl)cc3)c3ccccc3c2=O)CC1 ZINC000019928824 558309181 /nfs/dbraw/zinc/30/91/81/558309181.db2.gz IBFKBVITWGNIRF-UHFFFAOYSA-N 1 1 410.905 2.881 50 0 HFAAMO COc1cccc(C[N@H+]2CCC[C@@H](NC(=O)CCN3Cc4ccccc4C3=O)C2)c1 ZINC000012022976 558309701 /nfs/dbraw/zinc/30/97/01/558309701.db2.gz GPYFFQRTUYQLQU-HXUWFJFHSA-N 1 1 407.514 2.822 50 0 HFAAMO CCOC(=O)CN(C)Cc1ccc(OC[C@H](O)C[N@@H+](C)C2CCCCC2)c(OC)c1 ZINC000012028650 558310613 /nfs/dbraw/zinc/31/06/13/558310613.db2.gz DXFGDTWKEHZSBL-HXUWFJFHSA-N 1 1 422.566 2.694 50 0 HFAAMO C[C@@H]1CN(CC(=O)NCC2([NH+]3CCOCC3)CCCC2)Cc2cc(Cl)ccc2O1 ZINC000020136709 558337751 /nfs/dbraw/zinc/33/77/51/558337751.db2.gz PMMFHBWJTWTGNS-QGZVFWFLSA-N 1 1 421.969 2.684 50 0 HFAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1c(=O)cc(C)n(CCc2ccccc2OC)c1C ZINC000012159518 558341382 /nfs/dbraw/zinc/34/13/82/558341382.db2.gz CHFFXVJTLRKICA-FQEVSTJZSA-N 1 1 411.546 2.931 50 0 HFAAMO CN1CCC([N@@H+]2CCN(Cc3ccccc3OC3CCCC3)C[C@@H]2CCO)CC1 ZINC000020210465 558347496 /nfs/dbraw/zinc/34/74/96/558347496.db2.gz RCJLLVXMVQAGBF-QFIPXVFZSA-N 1 1 401.595 2.971 50 0 HFAAMO CN1CCC([N@H+]2CCN(Cc3ccccc3OC3CCCC3)C[C@@H]2CCO)CC1 ZINC000020210465 558347497 /nfs/dbraw/zinc/34/74/97/558347497.db2.gz RCJLLVXMVQAGBF-QFIPXVFZSA-N 1 1 401.595 2.971 50 0 HFAAMO COc1ncc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccc(F)c(F)c2)C3)cn1 ZINC000012226222 558357053 /nfs/dbraw/zinc/35/70/53/558357053.db2.gz LUTPVFSHDXLMKM-NRFANRHFSA-N 1 1 402.445 2.892 50 0 HFAAMO CCN(C[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1)C(=O)CCN1CCCC1=O ZINC000012304099 558373323 /nfs/dbraw/zinc/37/33/23/558373323.db2.gz DNEXSHTYGNPOBR-FQEVSTJZSA-N 1 1 403.542 2.941 50 0 HFAAMO C[N@@H+](CCc1ccccc1)[C@@H]1CCCN(C(=O)c2ccc(Cn3cnnn3)cc2)C1 ZINC000012471480 558422087 /nfs/dbraw/zinc/42/20/87/558422087.db2.gz FRMANVAKSKGRGR-JOCHJYFZSA-N 1 1 404.518 2.501 50 0 HFAAMO CCc1ccc(C[N@@H+]2CCc3nnc([C@@H](C)NC(=O)C4CCOCC4)n3CC2)cc1 ZINC000020998273 558427471 /nfs/dbraw/zinc/42/74/71/558427471.db2.gz XZIKZCNVXBNGNH-QGZVFWFLSA-N 1 1 411.550 2.503 50 0 HFAAMO CCOC(=O)N1CCN([C@H]2CCC[N@@H+](Cc3ccc4cccc(OC)c4n3)C2)CC1 ZINC000020999526 558428201 /nfs/dbraw/zinc/42/82/01/558428201.db2.gz SCADZCVAVYBUJF-FQEVSTJZSA-N 1 1 412.534 2.982 50 0 HFAAMO CCOc1cccc([C@@H]2NC(=[NH2+])Nc3nc4cc5c(cc4n32)OCCCO5)c1OC ZINC000012630201 558441623 /nfs/dbraw/zinc/44/16/23/558441623.db2.gz QXCKMOAXNYRLJV-LJQANCHMSA-N 1 1 409.446 2.701 50 0 HFAAMO C[C@@H]1C[C@H](C)C[N@@H+](Cc2csc(NC(=O)CNC(=O)COc3ccccc3)n2)C1 ZINC000022296235 558477063 /nfs/dbraw/zinc/47/70/63/558477063.db2.gz XQECNDRSNLACAU-IYBDPMFKSA-N 1 1 416.547 2.755 50 0 HFAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2csc(NC(=O)CNC(=O)COc3ccccc3)n2)C1 ZINC000022296235 558477064 /nfs/dbraw/zinc/47/70/64/558477064.db2.gz XQECNDRSNLACAU-IYBDPMFKSA-N 1 1 416.547 2.755 50 0 HFAAMO Cc1cc(NC(=O)CC[NH+]2CCN(Cc3ccc(Br)s3)CC2)no1 ZINC000022934668 558526153 /nfs/dbraw/zinc/52/61/53/558526153.db2.gz INHVUWACVWQKNV-UHFFFAOYSA-N 1 1 413.341 2.953 50 0 HFAAMO Cc1nn(C)cc1CNCc1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000013596785 558547348 /nfs/dbraw/zinc/54/73/48/558547348.db2.gz YBAVFJACUUJXRI-QHCPKHFHSA-N 1 1 408.546 2.890 50 0 HFAAMO Cc1nn(C)cc1CNCc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000013596785 558547351 /nfs/dbraw/zinc/54/73/51/558547351.db2.gz YBAVFJACUUJXRI-QHCPKHFHSA-N 1 1 408.546 2.890 50 0 HFAAMO CCn1nc(C)c(CN2CC[N@H+](Cc3ccc(OC)c(C)c3)[C@@H](CCO)C2)c1C ZINC000023358087 558551381 /nfs/dbraw/zinc/55/13/81/558551381.db2.gz DYVCJFZJCBYAHD-NRFANRHFSA-N 1 1 400.567 2.906 50 0 HFAAMO CCn1nc(C)c(CN2CC[N@@H+](Cc3ccc(OC)c(C)c3)[C@@H](CCO)C2)c1C ZINC000023358087 558551383 /nfs/dbraw/zinc/55/13/83/558551383.db2.gz DYVCJFZJCBYAHD-NRFANRHFSA-N 1 1 400.567 2.906 50 0 HFAAMO COc1ccc(C(=O)N[C@@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)C(C)C)cc1 ZINC000023731826 558571683 /nfs/dbraw/zinc/57/16/83/558571683.db2.gz IPOCZDQYZGGIFF-JOCHJYFZSA-N 1 1 409.530 2.794 50 0 HFAAMO CN(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C(=O)Cc1ccc2c(c1)CCCC2 ZINC000023732308 558571867 /nfs/dbraw/zinc/57/18/67/558571867.db2.gz RWZNZNWZGWOGCC-UHFFFAOYSA-N 1 1 419.569 2.911 50 0 HFAAMO CCc1c(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cnn1-c1ccc(OC)nn1 ZINC000024549305 558601067 /nfs/dbraw/zinc/60/10/67/558601067.db2.gz PVWPZNRNTQRTOO-GOSISDBHSA-N 1 1 424.505 2.783 50 0 HFAAMO Cc1nn(-c2cccc(Cl)c2)nc1C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000025407582 558640175 /nfs/dbraw/zinc/64/01/75/558640175.db2.gz NDFXBZFXTFCUOE-KBPBESRZSA-N 1 1 405.930 2.847 50 0 HFAAMO C[C@@H](c1ccccc1)N1C[C@@H](C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1=O ZINC000014238950 558642850 /nfs/dbraw/zinc/64/28/50/558642850.db2.gz VGLAKCQCLXZWNA-FPOVZHCZSA-N 1 1 413.562 2.747 50 0 HFAAMO C[C@H](c1ccccc1)N1C[C@H](C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1=O ZINC000014238953 558642867 /nfs/dbraw/zinc/64/28/67/558642867.db2.gz VGLAKCQCLXZWNA-TZIWHRDSSA-N 1 1 413.562 2.747 50 0 HFAAMO C[C@H](CNC(=O)COc1ccc(N2CCCC2=O)cc1)[N@H+]1CCc2ccccc2C1 ZINC000025942312 558652559 /nfs/dbraw/zinc/65/25/59/558652559.db2.gz CQWZDIOMOAGFRS-GOSISDBHSA-N 1 1 407.514 2.755 50 0 HFAAMO CC(C)C[C@H](CNC(=O)N1CCN(c2cccc(Cl)c2)CC1)[NH+]1CCOCC1 ZINC000026304390 558658789 /nfs/dbraw/zinc/65/87/89/558658789.db2.gz KWVPGXPQRGWPAM-HXUWFJFHSA-N 1 1 408.974 2.919 50 0 HFAAMO CC(C)C[C@H](CNC(=O)c1ccc(Cn2nnc3ccccc32)cc1)[NH+]1CCOCC1 ZINC000026366144 558659707 /nfs/dbraw/zinc/65/97/07/558659707.db2.gz CGZGXCDIFRFNBX-OAQYLSRUSA-N 1 1 421.545 2.956 50 0 HFAAMO CC(C)C(=O)Nc1ccc2nnc(-c3ccc(C(=O)N4CCC[N@@H+](C)CC4)cc3)n2c1 ZINC000065209840 558660965 /nfs/dbraw/zinc/66/09/65/558660965.db2.gz HYYAFMDCEKKGFL-UHFFFAOYSA-N 1 1 420.517 2.769 50 0 HFAAMO COc1cccc(C[N@@H+]2CCc3nnc(CCNC(=O)c4ccc(C)cc4)n3CC2)c1 ZINC000014879912 558675771 /nfs/dbraw/zinc/67/57/71/558675771.db2.gz PYNLXSBMQHLKEY-UHFFFAOYSA-N 1 1 419.529 2.626 50 0 HFAAMO Cc1ccc(CNC(=O)[C@@H]2C[C@H](n3cnnn3)C[N@H+]2CCCc2ccccc2)cc1 ZINC000014955553 558682113 /nfs/dbraw/zinc/68/21/13/558682113.db2.gz FAFKUZMELCSPCM-VXKWHMMOSA-N 1 1 404.518 2.546 50 0 HFAAMO CC(C)c1ccc(C[N@@H+]2CCc3nnc([C@H](NS(C)(=O)=O)C(C)C)n3CC2)cc1 ZINC000014958394 558683180 /nfs/dbraw/zinc/68/31/80/558683180.db2.gz OOVKUCMUSMVPRK-HXUWFJFHSA-N 1 1 419.595 2.706 50 0 HFAAMO Cc1ccc(C[N@@H+]2CCc3nnc(CNC(=O)Cc4cccc(F)c4)n3CC2)s1 ZINC000014977645 558690001 /nfs/dbraw/zinc/69/00/01/558690001.db2.gz AHUPLYUUTWMREM-UHFFFAOYSA-N 1 1 413.522 2.704 50 0 HFAAMO Cc1ccc(-c2n[nH]cc2[C@@H]2NC(=[NH2+])Nc3nc4cc5c(cc4n32)OCCCO5)o1 ZINC000011035695 558706220 /nfs/dbraw/zinc/70/62/20/558706220.db2.gz CPGZHUFHZPQCQW-GOSISDBHSA-N 1 1 405.418 2.585 50 0 HFAAMO 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559241506 /nfs/dbraw/zinc/24/15/06/559241506.db2.gz OOPFEMHRNYWOEP-LJQANCHMSA-N 1 1 405.612 2.791 50 0 HFAAMO CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H]1c1ccc(OC)c(OC)c1 ZINC000248290168 559269856 /nfs/dbraw/zinc/26/98/56/559269856.db2.gz KURCBZOGMNUATP-ROUUACIJSA-N 1 1 404.507 2.785 50 0 HFAAMO CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@H]1c1ccc(OC)c(OC)c1 ZINC000248290168 559269858 /nfs/dbraw/zinc/26/98/58/559269858.db2.gz KURCBZOGMNUATP-ROUUACIJSA-N 1 1 404.507 2.785 50 0 HFAAMO CN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]1[C@H]1CCCC[N@H+]12 ZINC000252430763 559277136 /nfs/dbraw/zinc/27/71/36/559277136.db2.gz INAWKYYRGFLTDR-XUJKJYMVSA-N 1 1 401.466 2.532 50 0 HFAAMO COc1ccccc1CNc1nn2c(nc(C[N@@H+]3CCc4ccccc4C3)cc2=O)[nH]1 ZINC000101796607 560801660 /nfs/dbraw/zinc/80/16/60/560801660.db2.gz UQVKPYSCHAOZKS-UHFFFAOYSA-N 1 1 416.485 2.597 50 0 HFAAMO COc1ccccc1CNc1nn2c(nc(C[N@H+]3CCc4ccccc4C3)cc2=O)[nH]1 ZINC000101796607 560801662 /nfs/dbraw/zinc/80/16/62/560801662.db2.gz 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SXNDNEOUTJQWIV-UHFFFAOYSA-N 1 1 423.579 2.979 50 0 HFAAMO COCCC[N@H+]1CCCN(C(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)CC1 ZINC000065568665 569236225 /nfs/dbraw/zinc/23/62/25/569236225.db2.gz SXNDNEOUTJQWIV-UHFFFAOYSA-N 1 1 423.579 2.979 50 0 HFAAMO CC[NH+](CC)CCc1ccc(NC(=O)NC[C@H](C(C)C)N2CCN(C)CC2)cc1 ZINC000170612074 569246415 /nfs/dbraw/zinc/24/64/15/569246415.db2.gz RNBNBKPHLZYHDQ-JOCHJYFZSA-N 1 1 403.615 2.964 50 0 HFAAMO Cc1ccc(C[N@@H+]2CCCN(S(=O)(=O)CCn3cnc4ccccc43)CC2)cc1 ZINC000014098867 569258642 /nfs/dbraw/zinc/25/86/42/569258642.db2.gz LPVASIWCOLUHAV-UHFFFAOYSA-N 1 1 412.559 2.882 50 0 HFAAMO Cc1ccc(C[N@H+]2CCCN(S(=O)(=O)CCn3cnc4ccccc43)CC2)cc1 ZINC000014098867 569258643 /nfs/dbraw/zinc/25/86/43/569258643.db2.gz LPVASIWCOLUHAV-UHFFFAOYSA-N 1 1 412.559 2.882 50 0 HFAAMO Cc1cc2oc(=O)cc(C[N@H+]3CCC[C@H](C(=O)N4CCOCC4)C3)c2cc1Cl ZINC000014333862 569259575 /nfs/dbraw/zinc/25/95/75/569259575.db2.gz SMBXVLUULIAVSK-HNNXBMFYSA-N 1 1 404.894 2.826 50 0 HFAAMO COc1ccccc1[C@H](C)[NH2+][C@@H](C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000089909807 569268337 /nfs/dbraw/zinc/26/83/37/569268337.db2.gz XIIWRGFDHZKTKR-RYUDHWBXSA-N 1 1 409.408 2.907 50 0 HFAAMO COCC[N@@H+]1[C@H](C)CN(C(=O)CCc2ncc(-c3ccc(OC)cc3)o2)C[C@@H]1C ZINC000089930213 569268899 /nfs/dbraw/zinc/26/88/99/569268899.db2.gz XDUSODMSYBEUJD-CALCHBBNSA-N 1 1 401.507 2.850 50 0 HFAAMO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@H+](C)[C@@H]2CCCc3ccccc32)C1=O ZINC000007583417 569283353 /nfs/dbraw/zinc/28/33/53/569283353.db2.gz AOMCVDDLOIGOSI-HYBUGGRVSA-N 1 1 420.513 2.884 50 0 HFAAMO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@@H+](C)[C@@H]2CCCc3ccccc32)C1=O ZINC000007583417 569283354 /nfs/dbraw/zinc/28/33/54/569283354.db2.gz AOMCVDDLOIGOSI-HYBUGGRVSA-N 1 1 420.513 2.884 50 0 HFAAMO COc1ccc(NC(=O)C[N@H+]2CCC[C@H](C)C2)cc1S(=O)(=O)N1CCCCC1 ZINC000007787687 569310639 /nfs/dbraw/zinc/31/06/39/569310639.db2.gz HMNRBNDPNPOLGU-INIZCTEOSA-N 1 1 409.552 2.540 50 0 HFAAMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H](C)C2)cc1S(=O)(=O)N1CCCCC1 ZINC000007787687 569310637 /nfs/dbraw/zinc/31/06/37/569310637.db2.gz HMNRBNDPNPOLGU-INIZCTEOSA-N 1 1 409.552 2.540 50 0 HFAAMO CC(C)C[NH+]1CCN([C@@H]2CCOC3(CCN(C(=O)c4ccccn4)CC3)C2)CC1 ZINC000581820112 569320972 /nfs/dbraw/zinc/32/09/72/569320972.db2.gz RJIRBNFSSCGLCU-HXUWFJFHSA-N 1 1 400.567 2.509 50 0 HFAAMO NC(=O)C[C@H](c1ccc2ncccc2c1)c1oc(C[NH+]2CCCCC2)cc(=O)c1O ZINC000253394625 569365214 /nfs/dbraw/zinc/36/52/14/569365214.db2.gz AETXLWVGSXFUOM-GOSISDBHSA-N 1 1 407.470 2.887 50 0 biogenic HFAAMO CN(C(=O)c1ccc(NS(=O)(=O)CCc2ccccc2)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000079001545 569423536 /nfs/dbraw/zinc/42/35/36/569423536.db2.gz VQEGKMVDWHSJCL-OAQYLSRUSA-N 1 1 415.559 2.837 50 0 HFAAMO Cc1ccc(NC(=O)C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)cc1S(=O)(=O)N(C)C ZINC000079053505 569425865 /nfs/dbraw/zinc/42/58/65/569425865.db2.gz NKJCUTHRRPOFAJ-DLBZAZTESA-N 1 1 411.593 2.544 50 0 HFAAMO Cc1ccc(NC(=O)C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)cc1S(=O)(=O)N(C)C ZINC000079053505 569425866 /nfs/dbraw/zinc/42/58/66/569425866.db2.gz NKJCUTHRRPOFAJ-DLBZAZTESA-N 1 1 411.593 2.544 50 0 HFAAMO CCC[N@@H+]1CCc2nc(SCC(=O)Nc3cc(OC)cc(OC)c3)[nH]c(=O)c2C1 ZINC000067291790 571068175 /nfs/dbraw/zinc/06/81/75/571068175.db2.gz LDLXFPMKETZJHE-UHFFFAOYSA-N 1 1 418.519 2.698 50 0 HFAAMO CCC[N@H+]1CCc2nc(SCC(=O)Nc3cc(OC)cc(OC)c3)[nH]c(=O)c2C1 ZINC000067291790 571068179 /nfs/dbraw/zinc/06/81/79/571068179.db2.gz LDLXFPMKETZJHE-UHFFFAOYSA-N 1 1 418.519 2.698 50 0 HFAAMO O=C(N[C@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3)c1cc2cc(F)ccc2[nH]1 ZINC000670473380 571105407 /nfs/dbraw/zinc/10/54/07/571105407.db2.gz XAZAGHQRPRQSFA-NZAVSEOKSA-N 1 1 404.489 2.604 50 0 HFAAMO C[C@@H]1C[NH+](Cc2ccc(C(=O)NCc3cccnc3-n3cccn3)cc2)C[C@@H](C)O1 ZINC000040088997 571159120 /nfs/dbraw/zinc/15/91/20/571159120.db2.gz XVODTSKDHUDZRR-QZTJIDSGSA-N 1 1 405.502 2.807 50 0 HFAAMO C[C@@H]1C[N@H+](C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)C[C@H](C)O1 ZINC000040135472 571188699 /nfs/dbraw/zinc/18/86/99/571188699.db2.gz NRVWVPZOUIBERJ-OKILXGFUSA-N 1 1 417.369 2.711 50 0 HFAAMO C[C@@H]1C[N@@H+](C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)C[C@H](C)O1 ZINC000040135472 571188700 /nfs/dbraw/zinc/18/87/00/571188700.db2.gz NRVWVPZOUIBERJ-OKILXGFUSA-N 1 1 417.369 2.711 50 0 HFAAMO CCC(=O)N1CCc2cc(C(=O)NCc3ccc(C[NH+]4CCOCC4)cc3)ccc21 ZINC000040143705 571194140 /nfs/dbraw/zinc/19/41/40/571194140.db2.gz YKTHJXULHZNJLM-UHFFFAOYSA-N 1 1 407.514 2.748 50 0 HFAAMO Cc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000009109894 571222294 /nfs/dbraw/zinc/22/22/94/571222294.db2.gz QAJZBSFVLUGAKL-ZHSNQQFMSA-N 1 1 405.429 2.565 50 0 HFAAMO COCCN(C[C@H]1C[N@@H+](Cc2ccco2)C[C@H]1c1ccccc1OC)C(=O)COC ZINC000245343745 571226254 /nfs/dbraw/zinc/22/62/54/571226254.db2.gz YMXJBGWYBUVNLF-WIYYLYMNSA-N 1 1 416.518 2.625 50 0 HFAAMO COc1ccc(CNC2=[NH+][C@H](c3ccccc3OC)n3c(=O)cc(C)nc3N2)cc1 ZINC000009184252 571234697 /nfs/dbraw/zinc/23/46/97/571234697.db2.gz PCXLXCKEPJCLOH-FQEVSTJZSA-N 1 1 405.458 2.687 50 0 HFAAMO NC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000009334823 571248791 /nfs/dbraw/zinc/24/87/91/571248791.db2.gz JXAANMNICNPDMZ-CZYKHXBRSA-N 1 1 409.445 2.841 50 0 HFAAMO NC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000009334823 571248793 /nfs/dbraw/zinc/24/87/93/571248793.db2.gz JXAANMNICNPDMZ-CZYKHXBRSA-N 1 1 409.445 2.841 50 0 HFAAMO CC(C)C(=O)Nc1ccc2c(c1)nc(C[N@H+]1C[C@H]3C[C@@H](C1)c1cccc(=O)n1C3)n2C ZINC000032124534 519524321 /nfs/dbraw/zinc/52/43/21/519524321.db2.gz FDEULQPEKQFAPN-SJORKVTESA-N 1 1 419.529 2.949 50 0 biogenic HFAAMO CCOC(=O)[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H]1c1ccc(OC)c(OC)c1 ZINC000045004401 521282946 /nfs/dbraw/zinc/28/29/46/521282946.db2.gz KURCBZOGMNUATP-QZTJIDSGSA-N 1 1 404.507 2.785 50 0 HFAAMO CCOC(=O)[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@@H]1c1ccc(OC)c(OC)c1 ZINC000045004401 521282956 /nfs/dbraw/zinc/28/29/56/521282956.db2.gz KURCBZOGMNUATP-QZTJIDSGSA-N 1 1 404.507 2.785 50 0 HFAAMO CC[NH+]1CCN(C(=O)[C@H](C)n2c3cc(C)c(C)cc3nc(C(F)(F)F)c2=O)CC1 ZINC000032945052 521669263 /nfs/dbraw/zinc/66/92/63/521669263.db2.gz OXGCLXAFJOFNSD-AWEZNQCLSA-N 1 1 410.440 2.757 50 0 HFAAMO COc1ccc(C(=O)N2CCC[C@H](C(=O)N3CCC[N@@H+](C)CC3)C2)c2ccccc12 ZINC000032784223 523640214 /nfs/dbraw/zinc/64/02/14/523640214.db2.gz KYKPSZHIKGJHST-SFHVURJKSA-N 1 1 409.530 2.865 50 0 HFAAMO COc1ccc(Cc2nc3c4c(C)c(C)n(CC[NH+]5CCOCC5)c4ncn3n2)cc1 ZINC000020573597 524164760 /nfs/dbraw/zinc/16/47/60/524164760.db2.gz TXVLDRFMIFSIDQ-UHFFFAOYSA-N 1 1 420.517 2.627 50 0 HFAAMO C[C@@H](CNC(=O)c1ccc(I)cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000032828397 524716450 /nfs/dbraw/zinc/71/64/50/524716450.db2.gz LDRFUFTZDPEKSX-RWMBFGLXSA-N 1 1 402.276 2.519 50 0 HFAAMO C[C@@H](CNC(=O)c1ccc(I)cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000032828397 524716458 /nfs/dbraw/zinc/71/64/58/524716458.db2.gz LDRFUFTZDPEKSX-RWMBFGLXSA-N 1 1 402.276 2.519 50 0 HFAAMO Cc1ccc(N2C(=O)N(CC(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C(=O)[C@@H]2C)cc1 ZINC000032819936 524924901 /nfs/dbraw/zinc/92/49/01/524924901.db2.gz FHOXANYKJKSTFY-AZUAARDMSA-N 1 1 420.513 2.543 50 0 HFAAMO O=C(CCN1C(=O)CCC1=O)N1CC[NH+](Cc2ccc(-c3ccccc3)s2)CC1 ZINC000031938347 526476692 /nfs/dbraw/zinc/47/66/92/526476692.db2.gz HHCJJPZGXKJWQF-UHFFFAOYSA-N 1 1 411.527 2.598 50 0 HFAAMO O=C1CCCN1c1ccc(CNc2nc(N3CCCC3)nc(N3CCCC3)[nH+]2)cc1 ZINC000032908943 526979297 /nfs/dbraw/zinc/97/92/97/526979297.db2.gz LRMVUDAFVZHZNU-UHFFFAOYSA-N 1 1 407.522 2.811 50 0 HFAAMO Cn1ccnc1COc1ccc(C(=O)N2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000045014248 527438116 /nfs/dbraw/zinc/43/81/16/527438116.db2.gz NBXROIDHOZEMAH-UHFFFAOYSA-N 1 1 404.514 3.000 50 0 HFAAMO OCC[NH+]1CCN(c2nc3c(cnn3-c3ccccc3)c(Nc3ccccc3)n2)CC1 ZINC000045977519 527553588 /nfs/dbraw/zinc/55/35/88/527553588.db2.gz UDUJXHFRPQNCKK-UHFFFAOYSA-N 1 1 415.501 2.673 50 0 HFAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000032400619 527674723 /nfs/dbraw/zinc/67/47/23/527674723.db2.gz LUTHSYMDHZIDGQ-UHFFFAOYSA-N 1 1 408.470 2.861 50 0 HFAAMO CCOC(=O)[C@@H]1CCC[N@H+](C2CCN(c3nncc(-c4ccc(F)cc4)n3)CC2)C1 ZINC000012716383 535521396 /nfs/dbraw/zinc/52/13/96/535521396.db2.gz JTURFYKVZJKCMU-QGZVFWFLSA-N 1 1 413.497 2.922 50 0 HFAAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(I)o2)N3)C1 ZINC000000830542 557095512 /nfs/dbraw/zinc/09/55/12/557095512.db2.gz LWEXFDAPKOWTIG-GFCCVEGCSA-N 1 1 415.256 2.788 50 0 HFAAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(I)o2)N3)C1 ZINC000000830542 557095515 /nfs/dbraw/zinc/09/55/15/557095515.db2.gz LWEXFDAPKOWTIG-GFCCVEGCSA-N 1 1 415.256 2.788 50 0 HFAAMO OCC[N@H+](Cc1ccccc1)C[C@@H](O)COc1c(F)cc(Br)cc1F ZINC000002940369 557428805 /nfs/dbraw/zinc/42/88/05/557428805.db2.gz AJQMZRFUUSBXSX-OAHLLOKOSA-N 1 1 416.262 2.962 50 0 HFAAMO Cc1nc(-c2cccc(NC(=O)CN3CC[NH+](C[C@@H]4CCCO4)CC3)c2)cs1 ZINC000022781233 557819578 /nfs/dbraw/zinc/81/95/78/557819578.db2.gz JTLGGAZKKCZZNV-IBGZPJMESA-N 1 1 400.548 2.854 50 0 HFAAMO CCOC(=O)[C@H]1CCC[N@H+](C2CCN(Cc3nc(Cc4ccccc4)no3)CC2)C1 ZINC000011814147 558278478 /nfs/dbraw/zinc/27/84/78/558278478.db2.gz NLLMFFJKDJTPDX-IBGZPJMESA-N 1 1 412.534 2.900 50 0 HFAAMO Cn1ccnc1C[N@@H+]1CCC[C@H](CCC(=O)N2CCN(Cc3ccccc3)CC2)C1 ZINC000011819037 558282110 /nfs/dbraw/zinc/28/21/10/558282110.db2.gz QSRUYXNVLBQWPR-JOCHJYFZSA-N 1 1 409.578 2.757 50 0 HFAAMO Cn1ccnc1C[N@H+]1CCC[C@H](CCC(=O)N2CCN(Cc3ccccc3)CC2)C1 ZINC000011819037 558282113 /nfs/dbraw/zinc/28/21/13/558282113.db2.gz QSRUYXNVLBQWPR-JOCHJYFZSA-N 1 1 409.578 2.757 50 0 HFAAMO Cc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)CSc2nnc(N)s2)C1 ZINC000011934378 558298664 /nfs/dbraw/zinc/29/86/64/558298664.db2.gz YHGRYEPCBGJNCG-INIZCTEOSA-N 1 1 419.620 2.934 50 0 HFAAMO O=S(=O)(c1ccc(F)cc1)N1CCC([NH+]2CCN(Cc3ccccc3)CC2)CC1 ZINC000019885149 558302039 /nfs/dbraw/zinc/30/20/39/558302039.db2.gz FWDWSABHNKBDDJ-UHFFFAOYSA-N 1 1 417.550 2.797 50 0 HFAAMO C[NH+]1CCN(CC(=O)N2N=C3c4ccccc4CC[C@H]3[C@@H]2c2ccc(F)cc2)CC1 ZINC000019897367 558303980 /nfs/dbraw/zinc/30/39/80/558303980.db2.gz VHNRLLQSAAYGPL-QPPBQGQZSA-N 1 1 406.505 2.923 50 0 HFAAMO CCOc1ccc(Nc2nc(N)nc(CN3CC[NH+](Cc4ccccc4)CC3)n2)cc1 ZINC000019899197 558304665 /nfs/dbraw/zinc/30/46/65/558304665.db2.gz BAGXDAZPNVDHQP-UHFFFAOYSA-N 1 1 419.533 2.914 50 0 HFAAMO O=C(CN1C(=O)CSC1=O)N1CC[C@]2(C1)CCC[N@@H+](CCC1CCCCC1)C2 ZINC000012076605 558320101 /nfs/dbraw/zinc/32/01/01/558320101.db2.gz BZZMJLLBHFUUKE-OAQYLSRUSA-N 1 1 407.580 2.967 50 0 HFAAMO CC(C)Cc1nc2oc3c(ncnc3N3CC[NH+](CCO)CC3)c2c2c1CCCC2 ZINC000020503950 558381414 /nfs/dbraw/zinc/38/14/14/558381414.db2.gz HGGMUJQISMOGSR-UHFFFAOYSA-N 1 1 409.534 2.963 50 0 HFAAMO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+](Cc3cnn(C)c3)C2)c(OC)c1 ZINC000012429479 558404551 /nfs/dbraw/zinc/40/45/51/558404551.db2.gz AWZDBJKBRMHIHB-KRWDZBQOSA-N 1 1 400.523 2.746 50 0 HFAAMO COCCN(C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1)C(=O)Cc1cccnc1 ZINC000012430028 558404772 /nfs/dbraw/zinc/40/47/72/558404772.db2.gz GOPMNDZWZCSEAH-OAQYLSRUSA-N 1 1 407.558 2.979 50 0 HFAAMO O=C(C[C@@H]1C(=O)NCC[N@H+]1CCc1ccccc1)N1CCC(Cc2ccccc2)CC1 ZINC000012431929 558406494 /nfs/dbraw/zinc/40/64/94/558406494.db2.gz SAJDYZMZULXQQG-XMMPIXPASA-N 1 1 419.569 2.901 50 0 HFAAMO O=C(C[C@@H]1C(=O)NCC[N@@H+]1CCc1ccccc1)N1CCC(Cc2ccccc2)CC1 ZINC000012431929 558406497 /nfs/dbraw/zinc/40/64/97/558406497.db2.gz SAJDYZMZULXQQG-XMMPIXPASA-N 1 1 419.569 2.901 50 0 HFAAMO CC(C)c1cc(CN2CCC([NH+]3CCC(C(=O)NCc4ccccn4)CC3)CC2)n[nH]1 ZINC000012433755 558407664 /nfs/dbraw/zinc/40/76/64/558407664.db2.gz BQVNAWQQJPVUFT-UHFFFAOYSA-N 1 1 424.593 2.921 50 0 HFAAMO O=C(NCc1nnc2n1CC[N@H+](Cc1cccc3cccnc31)CC2)c1ccccc1 ZINC000020775584 558411650 /nfs/dbraw/zinc/41/16/50/558411650.db2.gz MVBWYLOEGAQFHJ-UHFFFAOYSA-N 1 1 412.497 2.815 50 0 HFAAMO Cc1ccccc1C[N@@H+]1CCc2nnc([C@@H](C)NC(=O)COc3ccccc3)n2CC1 ZINC000020786117 558413764 /nfs/dbraw/zinc/41/37/64/558413764.db2.gz YIMIOBFTYNVDFQ-LJQANCHMSA-N 1 1 419.529 2.901 50 0 HFAAMO O=C([C@H]1CCC[N@H+](C2CCN(Cc3ccccc3)CC2)C1)N1CCc2n[nH]cc2C1 ZINC000012445951 558414084 /nfs/dbraw/zinc/41/40/84/558414084.db2.gz DSFUYRQAQYBHRS-FQEVSTJZSA-N 1 1 407.562 2.671 50 0 HFAAMO O=C(COc1ccc(Br)cc1)N1CC[NH+](CCc2ccncc2)CC1 ZINC000020896915 558420264 /nfs/dbraw/zinc/42/02/64/558420264.db2.gz TWTKRFRFNYFTBO-UHFFFAOYSA-N 1 1 404.308 2.610 50 0 HFAAMO Cc1cc(C)cc(C[N@@H+]2CCc3nnc(CNC(=O)Cc4ccccc4)n3CC2)c1 ZINC000020999135 558427878 /nfs/dbraw/zinc/42/78/78/558427878.db2.gz RAYMQNUZQSBPHN-UHFFFAOYSA-N 1 1 403.530 2.812 50 0 HFAAMO O=C(CN1CCOc2ccccc2C1)N[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012594462 558437145 /nfs/dbraw/zinc/43/71/45/558437145.db2.gz LYVXVNSNJQHPLD-QFIPXVFZSA-N 1 1 405.542 2.629 50 0 HFAAMO Cc1nc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)cc(N2CCOCC2)[nH+]1 ZINC000021793801 558449431 /nfs/dbraw/zinc/44/94/31/558449431.db2.gz NXDCSLJYSQZDKA-UHFFFAOYSA-N 1 1 423.561 2.882 50 0 HFAAMO COC(=O)C1CCN(C[C@H](O)COc2ccc(C[NH2+]Cc3ccccc3)cc2)CC1 ZINC000012708760 558451089 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411.590 2.625 50 0 HFAAMO O=C(NC1CCOCC1)[C@H]1CCC[N@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC000092001363 559075025 /nfs/dbraw/zinc/07/50/25/559075025.db2.gz XSVIMFFTUFXJNI-NRFANRHFSA-N 1 1 411.590 2.625 50 0 HFAAMO CC(C)n1c(C[N@@H+]2CC[C@H](N3CCOCC3)[C@H](CCCO)C2)nc2ccccc21 ZINC000095383474 559080702 /nfs/dbraw/zinc/08/07/02/559080702.db2.gz UJAKKVCYKBKUSE-CTNGQTDRSA-N 1 1 400.567 2.912 50 0 HFAAMO CC(C)n1c(C[N@H+]2CC[C@H](N3CCOCC3)[C@H](CCCO)C2)nc2ccccc21 ZINC000095383474 559080703 /nfs/dbraw/zinc/08/07/03/559080703.db2.gz UJAKKVCYKBKUSE-CTNGQTDRSA-N 1 1 400.567 2.912 50 0 HFAAMO CN(C[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1)C(=O)Cn1ccccc1=O ZINC000095512031 559084269 /nfs/dbraw/zinc/08/42/69/559084269.db2.gz CQLPWCPQPDNWPV-IBGZPJMESA-N 1 1 401.938 2.915 50 0 HFAAMO Cc1ccc2oc(=O)c3cnn(CC(=O)NCC[N@H+](C)Cc4ccccc4)c3c2c1 ZINC000004961820 559217900 /nfs/dbraw/zinc/21/79/00/559217900.db2.gz CNTOLNBLKYBNSO-UHFFFAOYSA-N 1 1 404.470 2.699 50 0 HFAAMO CCc1nn(CC(=O)NCC[N@@H+](C)C2CCCCC2)c(=O)c2cc3sccc3n21 ZINC000005109037 559246774 /nfs/dbraw/zinc/24/67/74/559246774.db2.gz AHHTYUYZYHWEPO-UHFFFAOYSA-N 1 1 415.563 2.654 50 0 HFAAMO COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](c1cccn1C)[NH+]1CCCC1 ZINC000011898324 559265496 /nfs/dbraw/zinc/26/54/96/559265496.db2.gz JCIPDMQBYRGNBT-KRWDZBQOSA-N 1 1 404.898 2.579 50 0 HFAAMO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2c2cc(OC)ccc2OC)C1 ZINC000248317554 559270534 /nfs/dbraw/zinc/27/05/34/559270534.db2.gz NFTRSCAXXPGNKG-APWZRJJASA-N 1 1 404.507 2.642 50 0 HFAAMO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@H]2c2cc(OC)ccc2OC)C1 ZINC000248317554 559270535 /nfs/dbraw/zinc/27/05/35/559270535.db2.gz NFTRSCAXXPGNKG-APWZRJJASA-N 1 1 404.507 2.642 50 0 HFAAMO O=C1Nc2c(cccc2Cl)[C@@]12[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000136831332 559278616 /nfs/dbraw/zinc/27/86/16/559278616.db2.gz AETXDEKUQJECHY-QNFHRHJVSA-N 1 1 407.857 2.771 50 0 HFAAMO O=C1Nc2c(cccc2Cl)[C@@]12[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000136831332 559278617 /nfs/dbraw/zinc/27/86/17/559278617.db2.gz AETXDEKUQJECHY-QNFHRHJVSA-N 1 1 407.857 2.771 50 0 HFAAMO COc1ccc(OC)c(NC(=O)[C@H]2C[C@@H]3CCC[N@H+]3[C@@]23c2ccccc2NC3=O)c1 ZINC000061999509 560565273 /nfs/dbraw/zinc/56/52/73/560565273.db2.gz RGCSOZIMARUSIO-KNUWZQJKSA-N 1 1 407.470 2.974 50 0 biogenic HFAAMO CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)c2sc(C)nc2C)CC1 ZINC000012093261 560888935 /nfs/dbraw/zinc/88/89/35/560888935.db2.gz LHUKTCVGAAHQMS-SFHVURJKSA-N 1 1 406.596 2.993 50 0 HFAAMO Cc1nc2c(c(=O)n1CC(=O)Nc1ccc(F)cc1)CC[N@H+](Cc1ccccc1)C2 ZINC000012186285 560891044 /nfs/dbraw/zinc/89/10/44/560891044.db2.gz MPKLKCZCNWYYKU-UHFFFAOYSA-N 1 1 406.461 2.888 50 0 HFAAMO Cc1nc2c(c(=O)n1CC(=O)Nc1ccc(F)cc1)CC[N@@H+](Cc1ccccc1)C2 ZINC000012186285 560891045 /nfs/dbraw/zinc/89/10/45/560891045.db2.gz MPKLKCZCNWYYKU-UHFFFAOYSA-N 1 1 406.461 2.888 50 0 HFAAMO CC(C)[C@@H](C(=O)N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000108171302 560898312 /nfs/dbraw/zinc/89/83/12/560898312.db2.gz SWLOFRKQOCEFLW-GFEQUFNTSA-N 1 1 411.587 2.882 50 0 HFAAMO CC(C)[C@@H](CNC(=O)N1CCN(Cc2ccc(Cl)s2)CC1)[NH+]1CCOCC1 ZINC000045634659 568420450 /nfs/dbraw/zinc/42/04/50/568420450.db2.gz ZUIXWNCODJEFLJ-QGZVFWFLSA-N 1 1 415.003 2.586 50 0 HFAAMO CC(C)CNC(=O)[C@@H]1CCC[N@H+](Cn2c(=O)oc3cc(Br)ccc32)C1 ZINC000048289013 568435005 /nfs/dbraw/zinc/43/50/05/568435005.db2.gz MDPCEYQLBUPWHF-CYBMUJFWSA-N 1 1 410.312 2.799 50 0 HFAAMO CC(C)CNC(=O)[C@@H]1CCC[N@@H+](Cn2c(=O)oc3cc(Br)ccc32)C1 ZINC000048289013 568435006 /nfs/dbraw/zinc/43/50/06/568435006.db2.gz MDPCEYQLBUPWHF-CYBMUJFWSA-N 1 1 410.312 2.799 50 0 HFAAMO C[N@H+]1CCCN(c2ccc(CNC(=O)c3cccc(Nc4ncccn4)c3)cn2)CC1 ZINC000048290369 568435175 /nfs/dbraw/zinc/43/51/75/568435175.db2.gz ABWMRIHEWXDHIN-UHFFFAOYSA-N 1 1 417.517 2.687 50 0 HFAAMO C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)c2ccc(S(C)(=O)=O)cc2)C[C@H](C)O1 ZINC000048344721 568440847 /nfs/dbraw/zinc/44/08/47/568440847.db2.gz IUFLANRGFCOXFJ-CALCHBBNSA-N 1 1 416.543 2.629 50 0 HFAAMO C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)c2ccc(S(C)(=O)=O)cc2)C[C@H](C)O1 ZINC000048344721 568440849 /nfs/dbraw/zinc/44/08/49/568440849.db2.gz IUFLANRGFCOXFJ-CALCHBBNSA-N 1 1 416.543 2.629 50 0 HFAAMO COc1ccc(NC(=O)Cn2cnc3c(c2=O)C[N@@H+](Cc2ccc(C)cc2)CC3)cc1 ZINC000049400905 568447698 /nfs/dbraw/zinc/44/76/98/568447698.db2.gz JEALTGHTROEFSC-UHFFFAOYSA-N 1 1 418.497 2.757 50 0 HFAAMO CC(C)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000021052279 568455556 /nfs/dbraw/zinc/45/55/56/568455556.db2.gz XTUXZAQWAMJWOP-LJQANCHMSA-N 1 1 423.604 2.689 50 0 HFAAMO O=C(N[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cccnc1 ZINC000012296495 568462671 /nfs/dbraw/zinc/46/26/71/568462671.db2.gz CDBYDKQINCMZHD-ACIOBRDBSA-N 1 1 420.557 2.803 50 0 biogenic HFAAMO Cc1ccccc1C[NH+]1CCN(CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)CC1 ZINC000022781618 568499537 /nfs/dbraw/zinc/49/95/37/568499537.db2.gz WDDRNRUCTVMUQK-IBGZPJMESA-N 1 1 406.530 2.877 50 0 HFAAMO CC(=O)c1ccc(NC(=O)[C@@H](C)NC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000080337619 568602130 /nfs/dbraw/zinc/60/21/30/568602130.db2.gz UTOQGHNYMFKOAC-QGZVFWFLSA-N 1 1 408.502 2.744 50 0 HFAAMO C[C@@H](NC(=O)N1CC[NH+](Cc2ccccc2)CC1)C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000080338448 568602482 /nfs/dbraw/zinc/60/24/82/568602482.db2.gz IJGWCKNDZJARTJ-CQSZACIVSA-N 1 1 420.435 2.958 50 0 HFAAMO CC[NH+]1CCN(C(=O)[C@H](C)n2c(C)c3cnn(-c4ccccc4)c(=O)c3c2C)CC1 ZINC000020416898 568606311 /nfs/dbraw/zinc/60/63/11/568606311.db2.gz YFHAJWKJKDKBPW-SFHVURJKSA-N 1 1 407.518 2.529 50 0 HFAAMO CC(C)c1cc(C(=O)OCC(=O)N2CCO[C@H]3CCCC[C@H]32)nn1-c1cc[nH+]cc1 ZINC000095431972 568609171 /nfs/dbraw/zinc/60/91/71/568609171.db2.gz UKBINMDQQDPLLM-QUCCMNQESA-N 1 1 412.490 2.718 50 0 HFAAMO CCn1c(C(=O)N2CCC3(C[C@@H]3C(=O)N3CC[NH+](C)CC3)CC2)cc2ccccc21 ZINC000095464874 568622843 /nfs/dbraw/zinc/62/28/43/568622843.db2.gz BGIQACDYQNEIOW-LJQANCHMSA-N 1 1 408.546 2.678 50 0 HFAAMO Cc1c[nH+]cn1C1CCN(C(=O)[C@@H](CC(C)C)N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)CC1 ZINC000225400112 568634194 /nfs/dbraw/zinc/63/41/94/568634194.db2.gz DHGFZHXIBKXDCP-HSALFYBXSA-N 1 1 412.534 2.721 50 0 HFAAMO CCN1CC[NH+](CCCNC(=O)c2cnn(-c3cccc(C)c3)c2-n2cccc2)CC1 ZINC000020980146 568654656 /nfs/dbraw/zinc/65/46/56/568654656.db2.gz GEBSPOPOSFAWGD-UHFFFAOYSA-N 1 1 420.561 2.729 50 0 HFAAMO Cc1c[nH+]cn1C1CCN(C(=O)[C@H](CC(C)C)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)CC1 ZINC000240225333 568729995 /nfs/dbraw/zinc/72/99/95/568729995.db2.gz DHGFZHXIBKXDCP-AQNXPRMDSA-N 1 1 412.534 2.721 50 0 HFAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)COCc2cc(-c3ccc4c(c3)OCO4)on2)C1 ZINC000021868239 568755889 /nfs/dbraw/zinc/75/58/89/568755889.db2.gz ALCNZSMXTJTRDO-MRXNPFEDSA-N 1 1 415.490 2.825 50 0 HFAAMO C[N@H+](CCOc1ccccc1Cl)CC(=O)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000015103593 568756016 /nfs/dbraw/zinc/75/60/16/568756016.db2.gz FFXJKLPRTPTXFF-UHFFFAOYSA-N 1 1 405.838 2.728 50 0 HFAAMO C[N@@H+](CCOc1ccccc1Cl)CC(=O)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000015103593 568756018 /nfs/dbraw/zinc/75/60/18/568756018.db2.gz FFXJKLPRTPTXFF-UHFFFAOYSA-N 1 1 405.838 2.728 50 0 HFAAMO C[NH+]1CCN(c2nc3c(c(=O)[nH]2)[C@@H](c2ccc(Cl)cc2Cl)CC(=O)N3)CC1 ZINC000670416113 568767781 /nfs/dbraw/zinc/76/77/81/568767781.db2.gz MLEOJSMFFUTLPI-GFCCVEGCSA-N 1 1 408.289 2.715 50 0 HFAAMO [NH2+]=C1Nc2nc3cc4c(cc3n2[C@@H](c2ccc(OC(F)F)cc2)N1)OCCCO4 ZINC000012507218 568839703 /nfs/dbraw/zinc/83/97/03/568839703.db2.gz KPBAUZLOQLLUPO-INIZCTEOSA-N 1 1 401.373 2.895 50 0 HFAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)CN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)cc2)C1 ZINC000057991618 568873082 /nfs/dbraw/zinc/87/30/82/568873082.db2.gz RZSUYMHIEKLHFS-VVIORFSUSA-N 1 1 423.557 2.732 50 0 HFAAMO CCc1cc(C[NH+]2CCC(N3C[C@@H](COc4ccc(F)cc4)OCC3=O)CC2)on1 ZINC000299778993 568874883 /nfs/dbraw/zinc/87/48/83/568874883.db2.gz RHRFRGXROQITKZ-NRFANRHFSA-N 1 1 417.481 2.647 50 0 HFAAMO O=C(N[C@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3)c1csc2c1CCCC2 ZINC000670448455 568919654 /nfs/dbraw/zinc/91/96/54/568919654.db2.gz XIFGDCMSROANBA-NZAVSEOKSA-N 1 1 407.583 2.924 50 0 HFAAMO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000007987621 568965339 /nfs/dbraw/zinc/96/53/39/568965339.db2.gz INFGNOVSRDDNEM-MRXNPFEDSA-N 1 1 421.950 2.595 50 0 HFAAMO O=C(C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)Nc1ccccc1C(=O)NC1CC1 ZINC000008004364 568967899 /nfs/dbraw/zinc/96/78/99/568967899.db2.gz RARDDIWAODCMOO-UHFFFAOYSA-N 1 1 420.513 2.868 50 0 HFAAMO CCCC[N@@H+](C)CCCNC(=O)[C@H]1CCCN(c2nnc(-n3cccc3)s2)C1 ZINC000015728132 568978872 /nfs/dbraw/zinc/97/88/72/568978872.db2.gz OYZGIQSRWSEQHS-KRWDZBQOSA-N 1 1 404.584 2.783 50 0 HFAAMO C[C@@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000008307263 568988440 /nfs/dbraw/zinc/98/84/40/568988440.db2.gz YDABSCSTZGPFIA-MJBXVCDLSA-N 1 1 401.960 2.895 50 0 HFAAMO O=C(N[C@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3)c1scc2c1CCCC2 ZINC000670471133 568998209 /nfs/dbraw/zinc/99/82/09/568998209.db2.gz QXDBLTYGCVODLP-IGSLEHJCSA-N 1 1 407.583 2.924 50 0 HFAAMO Cc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016001915 569025491 /nfs/dbraw/zinc/02/54/91/569025491.db2.gz QAJZBSFVLUGAKL-DDOIHHOZSA-N 1 1 405.429 2.565 50 0 HFAAMO Cc1ccc(N2C(=O)C[C@H]([NH+]3CCC(C(=O)Nc4ccccc4O)CC3)C2=O)c(C)c1 ZINC000012937253 569027381 /nfs/dbraw/zinc/02/73/81/569027381.db2.gz XZNLTPNQKJLAKU-FQEVSTJZSA-N 1 1 421.497 2.992 50 0 HFAAMO COc1cccc(NC(=O)Cn2c(C)nc3c(c2=O)CC[N@H+](Cc2ccccc2)C3)c1 ZINC000035456071 569037993 /nfs/dbraw/zinc/03/79/93/569037993.db2.gz SLDPSEBJOBRZRP-UHFFFAOYSA-N 1 1 418.497 2.757 50 0 HFAAMO COc1cccc(NC(=O)Cn2c(C)nc3c(c2=O)CC[N@@H+](Cc2ccccc2)C3)c1 ZINC000035456071 569037994 /nfs/dbraw/zinc/03/79/94/569037994.db2.gz SLDPSEBJOBRZRP-UHFFFAOYSA-N 1 1 418.497 2.757 50 0 HFAAMO CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000035485571 569039760 /nfs/dbraw/zinc/03/97/60/569039760.db2.gz OKWVSEAJCQWYPN-OHEPNIRZSA-N 1 1 423.513 2.642 50 0 HFAAMO Cc1ccc2c(c1)C(=O)N(CCCC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1)C2=O ZINC000012983231 569047368 /nfs/dbraw/zinc/04/73/68/569047368.db2.gz KFLPQXAISUUMDM-OAQYLSRUSA-N 1 1 405.498 2.887 50 0 HFAAMO Cc1ccc2c(c1)C(=O)N(CCCC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1)C2=O ZINC000012983231 569047369 /nfs/dbraw/zinc/04/73/69/569047369.db2.gz KFLPQXAISUUMDM-OAQYLSRUSA-N 1 1 405.498 2.887 50 0 HFAAMO CSc1ccc(C(=O)OCC(=O)NCC2([NH+]3CCOCC3)CCCCC2)cc1 ZINC000012999388 569049110 /nfs/dbraw/zinc/04/91/10/569049110.db2.gz CHIDYQCDDFZLSD-UHFFFAOYSA-N 1 1 406.548 2.717 50 0 HFAAMO O=C(C[N@H+]1CC[C@H]2CCCC[C@H]2C1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000239439170 569054392 /nfs/dbraw/zinc/05/43/92/569054392.db2.gz ZNJMMAHBSBVGRR-MSOLQXFVSA-N 1 1 405.564 2.922 50 0 HFAAMO CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000035851820 569063007 /nfs/dbraw/zinc/06/30/07/569063007.db2.gz SSLMCJSQHOSGLP-NAZDKBRTSA-N 1 1 415.493 2.989 50 0 HFAAMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)C1 ZINC000036038254 569080353 /nfs/dbraw/zinc/08/03/53/569080353.db2.gz XWSVJJXEGXOFTK-RHSMWYFYSA-N 1 1 411.955 2.616 50 0 HFAAMO COCC[N@@H+](Cc1cccc(OC)c1OC)C[C@H](O)COc1ccc(OC)cc1 ZINC000036097125 569090334 /nfs/dbraw/zinc/09/03/34/569090334.db2.gz DKEOESASXCFUGZ-SFHVURJKSA-N 1 1 405.491 2.601 50 0 HFAAMO COCC[N@H+](Cc1cccc(OC)c1OC)C[C@H](O)COc1ccc(OC)cc1 ZINC000036097125 569090335 /nfs/dbraw/zinc/09/03/35/569090335.db2.gz DKEOESASXCFUGZ-SFHVURJKSA-N 1 1 405.491 2.601 50 0 HFAAMO O=c1oc2c(cc(Cl)c3c2CN(CCC[NH+]2CCOCC2)CO3)c2c1CCC2 ZINC000006719479 569097704 /nfs/dbraw/zinc/09/77/04/569097704.db2.gz LPLSMBZYHZLJFX-UHFFFAOYSA-N 1 1 404.894 2.809 50 0 HFAAMO CCCC(=O)OC[C@@H](O)C[N@@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)CC(C)C ZINC000036158815 569102385 /nfs/dbraw/zinc/10/23/85/569102385.db2.gz VKCZZTXOTFFKPD-AWEZNQCLSA-N 1 1 421.563 2.636 50 0 HFAAMO CCCC(=O)OC[C@@H](O)C[N@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)CC(C)C ZINC000036158815 569102386 /nfs/dbraw/zinc/10/23/86/569102386.db2.gz VKCZZTXOTFFKPD-AWEZNQCLSA-N 1 1 421.563 2.636 50 0 HFAAMO CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000036391214 569166299 /nfs/dbraw/zinc/16/62/99/569166299.db2.gz FETOAJUYUDCXHW-FCHUYYIVSA-N 1 1 408.546 2.901 50 0 HFAAMO COc1cccc2[nH]c(C(=O)N[C@H](C)C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc21 ZINC000036579925 569202897 /nfs/dbraw/zinc/20/28/97/569202897.db2.gz IHRXSZHJCWUCHL-QGZVFWFLSA-N 1 1 420.513 2.639 50 0 HFAAMO CC[N@H+]1CCC[C@H]1CNC(=O)CC[C@@H]1CCCN(c2cc(NC3CC3)ncn2)C1 ZINC000065245229 569205159 /nfs/dbraw/zinc/20/51/59/569205159.db2.gz WAKNLWWSCDEJDY-HKUYNNGSSA-N 1 1 400.571 2.648 50 0 HFAAMO CCOC(=O)C(=O)N[C@H](C)[C@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000036657853 569216777 /nfs/dbraw/zinc/21/67/77/569216777.db2.gz OKBAOIBYMZERLM-VQIMIIECSA-N 1 1 401.532 2.679 50 0 HFAAMO CC[C@@H](C)[N@@H+](CCCNC(=O)c1c(C)oc2ncn(C)c(=O)c21)Cc1ccco1 ZINC000065329546 569224784 /nfs/dbraw/zinc/22/47/84/569224784.db2.gz PIODIUUXSISJIG-CQSZACIVSA-N 1 1 400.479 2.849 50 0 HFAAMO CS(=O)(=O)c1ccc([C@H](O)C[N@H+]2CCC[C@@H]2CN2CCc3ccccc32)cc1 ZINC000065539736 569234627 /nfs/dbraw/zinc/23/46/27/569234627.db2.gz PPCWEIHRWDYWNC-DENIHFKCSA-N 1 1 400.544 2.651 50 0 HFAAMO C[N@H+]1CCC[C@H]1CNC(=O)CCCOc1ccc(I)cc1 ZINC000065553327 569235308 /nfs/dbraw/zinc/23/53/08/569235308.db2.gz QDVHQCAZSSOOQE-AWEZNQCLSA-N 1 1 402.276 2.661 50 0 HFAAMO CC[C@@H]1C[N@@H+](CC(C)(C)O)[C@@H](CC)CN1CC(=O)Nc1cc(OC)cc(OC)c1 ZINC000170607315 569244547 /nfs/dbraw/zinc/24/45/47/569244547.db2.gz AYBBIUXAAWOESG-MSOLQXFVSA-N 1 1 407.555 2.588 50 0 HFAAMO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2NS(=O)(=O)c2cccc(Cl)c2)C1 ZINC000170617461 569248031 /nfs/dbraw/zinc/24/80/31/569248031.db2.gz JFFJQZHYEAHFMS-OAHLLOKOSA-N 1 1 407.923 2.838 50 0 HFAAMO C[NH+]1CCN(C(=O)c2ccccc2N2CCC(NC(=O)c3ccc(F)cc3)CC2)CC1 ZINC000037524826 569303772 /nfs/dbraw/zinc/30/37/72/569303772.db2.gz OHUZNFXDIYMOMV-UHFFFAOYSA-N 1 1 424.520 2.612 50 0 HFAAMO Cc1ccc(C(=O)N2CCC3(CC2)C[C@@H](N2CC[NH+](CC(C)C)CC2)CCO3)cn1 ZINC000581820176 569320949 /nfs/dbraw/zinc/32/09/49/569320949.db2.gz WPIWWFFTGYSTLG-QFIPXVFZSA-N 1 1 414.594 2.817 50 0 HFAAMO O=C(c1cnc(O[C@H]2CCOC2)c(Cl)c1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000253408636 569366298 /nfs/dbraw/zinc/36/62/98/569366298.db2.gz YJYVPHYODLJZOB-IBGZPJMESA-N 1 1 415.921 2.903 50 0 HFAAMO O=S(=O)(c1ccc(Cl)cc1)[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]CCC1=CCCCC1 ZINC000019797220 569430397 /nfs/dbraw/zinc/43/03/97/569430397.db2.gz GFZPAEDFNPUJSD-ROUUACIJSA-N 1 1 417.980 2.759 50 0 HFAAMO CCC[N@@H+]1CCc2nc(SCC(=O)Nc3ccc(OC)c(OC)c3)[nH]c(=O)c2C1 ZINC000067291812 571068077 /nfs/dbraw/zinc/06/80/77/571068077.db2.gz ZMODQKUEPHOBRS-UHFFFAOYSA-N 1 1 418.519 2.698 50 0 HFAAMO 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