smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@@H]1c2ccccc2CCC1(C)C ZINC000159852772 508901131 /nfs/dbraw/zinc/90/11/31/508901131.db2.gz JJLKRZHGIFBAEE-QFBILLFUSA-N 1 1 358.530 2.635 10 70 FFIEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCc1nnc(-c2ccccc2)o1 ZINC000160040204 508929037 /nfs/dbraw/zinc/92/90/37/508929037.db2.gz WVLNLXCZFOPBQL-IAGOWNOFSA-N 1 1 369.469 2.547 10 70 FFIEMO CC(C)NC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1Br ZINC000160444398 508987908 /nfs/dbraw/zinc/98/79/08/508987908.db2.gz GCPXIIIRUJQLHQ-QWRGUYRKSA-N 1 1 356.264 2.722 10 70 FFIEMO CN(C(=O)c1cnc2c(c1)ncn2C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000160681395 509019657 /nfs/dbraw/zinc/01/96/57/509019657.db2.gz NEUDEMWSHYORGR-GOSISDBHSA-N 1 1 363.465 2.705 10 70 FFIEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cccnc1-c1ccccc1 ZINC000160896591 509045279 /nfs/dbraw/zinc/04/52/79/509045279.db2.gz GOJKGCPZUNGBJZ-QGZVFWFLSA-N 1 1 366.465 2.630 10 70 FFIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)Nc1ccccc1CN1CCOCC1 ZINC000161388659 509109763 /nfs/dbraw/zinc/10/97/63/509109763.db2.gz BPEYUALADOXQNX-LJQANCHMSA-N 1 1 374.529 2.761 10 70 FFIEMO CN(C)c1nc(N2CCN(c3ccnc4c(F)cc(F)cc34)CC2)cc[nH+]1 ZINC000159586696 508862453 /nfs/dbraw/zinc/86/24/53/508862453.db2.gz CNHLHNANKJPPNI-UHFFFAOYSA-N 1 1 370.407 2.696 10 70 FFIEMO FC(F)(F)Oc1cccc(CC[N@@H+]2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000159986949 508920986 /nfs/dbraw/zinc/92/09/86/508920986.db2.gz RXIQEOBUIDULFY-MRXNPFEDSA-N 1 1 355.360 2.725 10 70 FFIEMO FC(F)(F)Oc1cccc(CC[N@H+]2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000159986949 508920990 /nfs/dbraw/zinc/92/09/90/508920990.db2.gz RXIQEOBUIDULFY-MRXNPFEDSA-N 1 1 355.360 2.725 10 70 FFIEMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cnc3c(c2)ncn3C)C1 ZINC000160507695 508996292 /nfs/dbraw/zinc/99/62/92/508996292.db2.gz RILCRHNBVREZEH-CVEARBPZSA-N 1 1 355.486 2.695 10 70 FFIEMO O=C(C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1)Nc1ccnn1Cc1cccs1 ZINC000160531008 508999631 /nfs/dbraw/zinc/99/96/31/508999631.db2.gz QHMKBXBTTOLUAF-BEFAXECRSA-N 1 1 374.510 2.558 10 70 FFIEMO O=C(C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1)Nc1ccnn1Cc1cccs1 ZINC000160531008 508999633 /nfs/dbraw/zinc/99/96/33/508999633.db2.gz QHMKBXBTTOLUAF-BEFAXECRSA-N 1 1 374.510 2.558 10 70 FFIEMO COc1ccc(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)c(OC)c1OC ZINC000160606710 509008969 /nfs/dbraw/zinc/00/89/69/509008969.db2.gz UIQDDZSQYWSTBO-CQSZACIVSA-N 1 1 350.459 2.563 10 70 FFIEMO CNC(=O)c1ccc(Cl)c(NC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC000160649379 509014707 /nfs/dbraw/zinc/01/47/07/509014707.db2.gz PEBUGCRIJXGFCS-CQSZACIVSA-N 1 1 366.893 2.942 10 70 FFIEMO CC(C)[N@@H+]1C[C@H](NC(=O)c2sccc2NC(=O)c2ccncc2)[C@@H](C)C1 ZINC000161260790 509093331 /nfs/dbraw/zinc/09/33/31/509093331.db2.gz DIVMJIPVMQOESO-BBRMVZONSA-N 1 1 372.494 2.854 10 70 FFIEMO CN(CC[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1)Cc1ccc(F)cc1 ZINC000159539041 508855764 /nfs/dbraw/zinc/85/57/64/508855764.db2.gz SRJBWTSVMYFVQD-KRWDZBQOSA-N 1 1 357.477 2.675 10 70 FFIEMO C[N@H+](CCN1CCC[C@H](c2nnc3n2CCC3)C1)Cc1ccc(F)cc1 ZINC000159539041 508855767 /nfs/dbraw/zinc/85/57/67/508855767.db2.gz SRJBWTSVMYFVQD-KRWDZBQOSA-N 1 1 357.477 2.675 10 70 FFIEMO C[N@@H+](CCN1CCC[C@H](c2nnc3n2CCC3)C1)Cc1ccc(F)cc1 ZINC000159539041 508855771 /nfs/dbraw/zinc/85/57/71/508855771.db2.gz SRJBWTSVMYFVQD-KRWDZBQOSA-N 1 1 357.477 2.675 10 70 FFIEMO C[N@H+](Cc1cnc2ccccn12)C[C@H](c1cccs1)N1CCOCC1 ZINC000160058542 508931858 /nfs/dbraw/zinc/93/18/58/508931858.db2.gz HKEGOEUCMUWZMX-QGZVFWFLSA-N 1 1 356.495 2.901 10 70 FFIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)Cc1csc(NC(=O)C(C)C)n1 ZINC000160502557 508995433 /nfs/dbraw/zinc/99/54/33/508995433.db2.gz JWZNPMYHSBHIKA-OAHLLOKOSA-N 1 1 366.531 2.517 10 70 FFIEMO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161031015 509062205 /nfs/dbraw/zinc/06/22/05/509062205.db2.gz WWTBZJLRANJONQ-BZSOYRFXSA-N 1 1 358.482 2.642 10 70 FFIEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H](c2ccccc2)N2CCSCC2)C1 ZINC000161232111 509090003 /nfs/dbraw/zinc/09/00/03/509090003.db2.gz OVKXBVKWCWMHIM-NZSAHSFTSA-N 1 1 361.555 2.621 10 70 FFIEMO COCCCOc1cccc(CNC(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)c1 ZINC000160221300 508956166 /nfs/dbraw/zinc/95/61/66/508956166.db2.gz YPCKVMMYQCVBNP-APWZRJJASA-N 1 1 363.502 2.630 10 70 FFIEMO CC(=O)N(CCC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C)Cc1ccccc1 ZINC000160407974 508983143 /nfs/dbraw/zinc/98/31/43/508983143.db2.gz RSDQLMIBONOHPY-HXUWFJFHSA-N 1 1 359.514 2.662 10 70 FFIEMO Cc1cc(C(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)c(C)n1C1CC1 ZINC000160473203 508991298 /nfs/dbraw/zinc/99/12/98/508991298.db2.gz RNOLNGXWQOUZEB-UXHICEINSA-N 1 1 367.493 2.805 10 70 FFIEMO CN(C(=O)c1cnc2c(c1)ncn2C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000160681495 509019363 /nfs/dbraw/zinc/01/93/63/509019363.db2.gz NEUDEMWSHYORGR-SFHVURJKSA-N 1 1 363.465 2.705 10 70 FFIEMO O[C@@]12CCCC[C@@H]1C[N@H+](Cc1nc(-c3ccc4c(c3)OCO4)no1)CC2 ZINC000160936316 509050514 /nfs/dbraw/zinc/05/05/14/509050514.db2.gz OCEIGRDVZSYYKK-AUUYWEPGSA-N 1 1 357.410 2.592 10 70 FFIEMO O[C@@]12CCCC[C@@H]1C[N@@H+](Cc1nc(-c3ccc4c(c3)OCO4)no1)CC2 ZINC000160936316 509050519 /nfs/dbraw/zinc/05/05/19/509050519.db2.gz OCEIGRDVZSYYKK-AUUYWEPGSA-N 1 1 357.410 2.592 10 70 FFIEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC000161286452 509097488 /nfs/dbraw/zinc/09/74/88/509097488.db2.gz HWCJWTCYVFMRGE-QGZVFWFLSA-N 1 1 365.441 2.684 10 70 FFIEMO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000159433697 508841442 /nfs/dbraw/zinc/84/14/42/508841442.db2.gz NVFGAJQIRWZGLN-VXGBXAGGSA-N 1 1 370.419 2.667 10 70 FFIEMO COCCCOc1cccc(CNC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c1 ZINC000160221380 508956803 /nfs/dbraw/zinc/95/68/03/508956803.db2.gz YPCKVMMYQCVBNP-LPHOPBHVSA-N 1 1 363.502 2.630 10 70 FFIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000160415643 508983960 /nfs/dbraw/zinc/98/39/60/508983960.db2.gz VDWDYEYBJKJZJM-RTBURBONSA-N 1 1 373.497 2.654 10 70 FFIEMO CC(=O)N[C@H](CC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C)c1ccc(C)cc1 ZINC000160477663 508992071 /nfs/dbraw/zinc/99/20/71/508992071.db2.gz SKZVUKISJTXQBG-WOJBJXKFSA-N 1 1 359.514 2.799 10 70 FFIEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccnn1Cc1ccccc1F ZINC000160537940 509000668 /nfs/dbraw/zinc/00/06/68/509000668.db2.gz LLOITDORVXGLCT-GDBMZVCRSA-N 1 1 357.433 2.771 10 70 FFIEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccccc2CSc2nc[nH]n2)C1 ZINC000161174362 509080937 /nfs/dbraw/zinc/08/09/37/509080937.db2.gz XEVKQZKTGBLLAJ-CJNGLKHVSA-N 1 1 359.499 2.556 10 70 FFIEMO Cn1cc(C[N@@H+]2CCCN(C(=O)Nc3cc(F)cc(Cl)c3)CC2)cn1 ZINC000161212176 509086493 /nfs/dbraw/zinc/08/64/93/509086493.db2.gz DPPAVLALTFYYQD-UHFFFAOYSA-N 1 1 365.840 2.952 10 70 FFIEMO Cn1cc(C[N@H+]2CCCN(C(=O)Nc3cc(F)cc(Cl)c3)CC2)cn1 ZINC000161212176 509086495 /nfs/dbraw/zinc/08/64/95/509086495.db2.gz DPPAVLALTFYYQD-UHFFFAOYSA-N 1 1 365.840 2.952 10 70 FFIEMO C[C@@H](CNC(=O)N[C@H]1c2ccccc2CCC1(C)C)CN1CC[NH+](C)CC1 ZINC000159670807 508873580 /nfs/dbraw/zinc/87/35/80/508873580.db2.gz RXSQMWVBHBZANA-PXNSSMCTSA-N 1 1 372.557 2.883 10 70 FFIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000160415503 508983797 /nfs/dbraw/zinc/98/37/97/508983797.db2.gz VDWDYEYBJKJZJM-MOPGFXCFSA-N 1 1 373.497 2.654 10 70 FFIEMO COc1ccc(-n2ccc(C(=O)NC[C@H]3CCC[N@H+]3CC(C)C)n2)cc1 ZINC000160435932 508986680 /nfs/dbraw/zinc/98/66/80/508986680.db2.gz ZJAPGXFHYARICZ-QGZVFWFLSA-N 1 1 356.470 2.731 10 70 FFIEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCOCc1ccc(Cl)cc1 ZINC000160513711 508997343 /nfs/dbraw/zinc/99/73/43/508997343.db2.gz KIAWPWDDUFQTCX-WMLDXEAASA-N 1 1 351.878 2.735 10 70 FFIEMO O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)Nc1ccnn1Cc1cccs1 ZINC000160530866 508999689 /nfs/dbraw/zinc/99/96/89/508999689.db2.gz QHMKBXBTTOLUAF-DNVCBOLYSA-N 1 1 374.510 2.558 10 70 FFIEMO O=C(C[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1)Nc1ccnn1Cc1cccs1 ZINC000160530866 508999692 /nfs/dbraw/zinc/99/96/92/508999692.db2.gz QHMKBXBTTOLUAF-DNVCBOLYSA-N 1 1 374.510 2.558 10 70 FFIEMO C[N@H+](CCN1CCC(CN2CCCCC2=O)CC1)Cc1ccc(F)cc1 ZINC000160572003 509004371 /nfs/dbraw/zinc/00/43/71/509004371.db2.gz VDXXTSMRJNOTOS-UHFFFAOYSA-N 1 1 361.505 2.982 10 70 FFIEMO C[N@@H+](CCN1CCC(CN2CCCCC2=O)CC1)Cc1ccc(F)cc1 ZINC000160572003 509004375 /nfs/dbraw/zinc/00/43/75/509004375.db2.gz VDXXTSMRJNOTOS-UHFFFAOYSA-N 1 1 361.505 2.982 10 70 FFIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C)NC(=O)c1ccc(Cl)cc1 ZINC000160605671 509009181 /nfs/dbraw/zinc/00/91/81/509009181.db2.gz VGZNANRTJGJDIX-WMLDXEAASA-N 1 1 365.905 2.695 10 70 FFIEMO Cc1cccc([C@H]2CCC[N@H+]2C[C@H](O)COCc2ccc3c(c2)OCO3)n1 ZINC000159823885 508896306 /nfs/dbraw/zinc/89/63/06/508896306.db2.gz RYMSAOLJIMODGG-PKOBYXMFSA-N 1 1 370.449 2.833 10 70 FFIEMO O=C(NCCC[N@H+]1CCc2ccccc2C1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000159830311 508898090 /nfs/dbraw/zinc/89/80/90/508898090.db2.gz FTUZOLLPBIVNDC-IFMALSPDSA-N 1 1 371.525 2.771 10 70 FFIEMO COc1ccc(Br)c(CC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)c1 ZINC000160386983 508979185 /nfs/dbraw/zinc/97/91/85/508979185.db2.gz GKVZHAUOVYSOCH-TZMCWYRMSA-N 1 1 367.287 2.695 10 70 FFIEMO CC(C)CCn1ccc(NC(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)n1 ZINC000160768840 509030382 /nfs/dbraw/zinc/03/03/82/509030382.db2.gz AXFLYLXRLPOHLV-INIZCTEOSA-N 1 1 363.506 2.646 10 70 FFIEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2sccc2NC(=O)c2ccncc2)C1 ZINC000161260673 509093089 /nfs/dbraw/zinc/09/30/89/509093089.db2.gz DIVMJIPVMQOESO-CJNGLKHVSA-N 1 1 372.494 2.854 10 70 FFIEMO Cc1cc(Cl)ncc1NC(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000161271548 509095012 /nfs/dbraw/zinc/09/50/12/509095012.db2.gz UIMJDDLQNLRHMB-UHFFFAOYSA-N 1 1 362.865 2.517 10 70 FFIEMO Cc1cc(Cl)ncc1NC(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000161271548 509095018 /nfs/dbraw/zinc/09/50/18/509095018.db2.gz UIMJDDLQNLRHMB-UHFFFAOYSA-N 1 1 362.865 2.517 10 70 FFIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)CCc1nc(-c2cccs2)no1 ZINC000160410848 508983204 /nfs/dbraw/zinc/98/32/04/508983204.db2.gz AUXHNGSDQOLSOQ-CQSZACIVSA-N 1 1 362.499 2.967 10 70 FFIEMO COc1ccccc1-c1nn(C)cc1C(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000161203316 509085205 /nfs/dbraw/zinc/08/52/05/509085205.db2.gz WXBSYQINRFQZQK-PBHICJAKSA-N 1 1 356.470 2.554 10 70 FFIEMO Cc1n[nH]c(C)c1[C@H](C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000160375004 508977554 /nfs/dbraw/zinc/97/75/54/508977554.db2.gz QNGQIMLVYKXMEC-VCBZYWHSSA-N 1 1 369.513 2.942 10 70 FFIEMO COC(=O)c1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000160536012 508999520 /nfs/dbraw/zinc/99/95/20/508999520.db2.gz VNTHWEFXTVCVCY-LUQKVYGDSA-N 1 1 374.481 2.736 10 70 FFIEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2cnc(C(F)(F)F)nc2)C1 ZINC000160628063 509012552 /nfs/dbraw/zinc/01/25/52/509012552.db2.gz OGZIKEKIJYSQSU-LBPRGKRZSA-N 1 1 353.348 2.732 10 70 FFIEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000160836610 509038383 /nfs/dbraw/zinc/03/83/83/509038383.db2.gz LSTOUMQUYXNXHZ-LBPRGKRZSA-N 1 1 356.352 2.647 10 70 FFIEMO CCOCC[N@H+]1CCN(Cc2noc(-c3ccsc3)n2)C[C@H]1CC ZINC000160835369 509038616 /nfs/dbraw/zinc/03/86/16/509038616.db2.gz OENATVDWOMSSAR-OAHLLOKOSA-N 1 1 350.488 2.731 10 70 FFIEMO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1Br ZINC000160444264 508987753 /nfs/dbraw/zinc/98/77/53/508987753.db2.gz GCPXIIIRUJQLHQ-WDEREUQCSA-N 1 1 356.264 2.722 10 70 FFIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(CN2CCCC2=O)cc1 ZINC000160597845 509008368 /nfs/dbraw/zinc/00/83/68/509008368.db2.gz AUSKKXIDJZTHKK-LJQANCHMSA-N 1 1 357.498 2.659 10 70 FFIEMO O=C(C[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1)NCc1ccc(OC(F)F)cc1 ZINC000160744838 509027503 /nfs/dbraw/zinc/02/75/03/509027503.db2.gz JZSWYPZJGQONML-DNVCBOLYSA-N 1 1 368.424 2.531 10 70 FFIEMO O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)N(Cc1ccco1)CC(F)(F)F ZINC000160799944 509034800 /nfs/dbraw/zinc/03/48/00/509034800.db2.gz QFFYSYIKUVZWTJ-RHSMWYFYSA-N 1 1 374.403 2.798 10 70 FFIEMO O=C(C[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1)N(Cc1ccco1)CC(F)(F)F ZINC000160799944 509034802 /nfs/dbraw/zinc/03/48/02/509034802.db2.gz QFFYSYIKUVZWTJ-RHSMWYFYSA-N 1 1 374.403 2.798 10 70 FFIEMO Cc1[nH+]ccn1-c1ccc(CNC(=O)/C=C/c2cnn(C)c2C)cc1F ZINC000161102990 509071881 /nfs/dbraw/zinc/07/18/81/509071881.db2.gz ZRBLBYBCNKIGHN-FNORWQNLSA-N 1 1 353.401 2.691 10 70 FFIEMO O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)Nc1ccccc1OC(F)F ZINC000161130874 509075496 /nfs/dbraw/zinc/07/54/96/509075496.db2.gz URDURIPQKRZSHD-FZKQIMNGSA-N 1 1 354.397 2.854 10 70 FFIEMO O=C(C[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1)Nc1ccccc1OC(F)F ZINC000161130874 509075497 /nfs/dbraw/zinc/07/54/97/509075497.db2.gz URDURIPQKRZSHD-FZKQIMNGSA-N 1 1 354.397 2.854 10 70 FFIEMO CSc1ccc(CN(C)C(=O)C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cc1 ZINC000161169649 509080856 /nfs/dbraw/zinc/08/08/56/509080856.db2.gz LPVYQNGUIDOOGP-YLJYHZDGSA-N 1 1 362.539 2.994 10 70 FFIEMO CCc1cc(=O)n2nc(N[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C)sc2n1 ZINC000160224872 508956996 /nfs/dbraw/zinc/95/69/96/508956996.db2.gz SGMYBEMKDOSTPR-XJKSGUPXSA-N 1 1 369.494 2.646 10 70 FFIEMO CC[C@@H]1CN(C(=O)Nc2ccn(CCC(C)C)n2)CC[N@@H+]1CCOC ZINC000160459258 508990080 /nfs/dbraw/zinc/99/00/80/508990080.db2.gz BGTNHYDCQLGEFE-MRXNPFEDSA-N 1 1 351.495 2.504 10 70 FFIEMO CC[C@@H]1CN(C(=O)Nc2ccn(CCC(C)C)n2)CC[N@H+]1CCOC ZINC000160459258 508990081 /nfs/dbraw/zinc/99/00/81/508990081.db2.gz BGTNHYDCQLGEFE-MRXNPFEDSA-N 1 1 351.495 2.504 10 70 FFIEMO O=C(C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1)N(Cc1ccco1)CC(F)(F)F ZINC000160800086 509034707 /nfs/dbraw/zinc/03/47/07/509034707.db2.gz QFFYSYIKUVZWTJ-PBHICJAKSA-N 1 1 374.403 2.798 10 70 FFIEMO O=C(C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1)N(Cc1ccco1)CC(F)(F)F ZINC000160800086 509034710 /nfs/dbraw/zinc/03/47/10/509034710.db2.gz QFFYSYIKUVZWTJ-PBHICJAKSA-N 1 1 374.403 2.798 10 70 FFIEMO O[C@@H]1C[C@@H](c2cccc(C(F)(F)F)c2)[N@@H+](CCCN2CCOCC2)C1 ZINC000161086402 509069713 /nfs/dbraw/zinc/06/97/13/509069713.db2.gz PPCBLEYXFJJAPK-SJORKVTESA-N 1 1 358.404 2.535 10 70 FFIEMO CCN1CC[NH+](CCC(=O)N[C@@H](C)c2ccc(OCC(C)C)cc2)CC1 ZINC000159720037 508879983 /nfs/dbraw/zinc/87/99/83/508879983.db2.gz XPNNOLLOLLURJA-SFHVURJKSA-N 1 1 361.530 2.926 10 70 FFIEMO C[C@@H]1C[C@@H](NC(=O)N2CCC[C@@H]2Cn2ccnc2)C[N@H+]1Cc1ccccc1 ZINC000160013825 508926007 /nfs/dbraw/zinc/92/60/07/508926007.db2.gz DTQZNSTUHRUVIA-MISYRCLQSA-N 1 1 367.497 2.720 10 70 FFIEMO CCCOCc1ccccc1CNC(=O)C[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160499065 508995813 /nfs/dbraw/zinc/99/58/13/508995813.db2.gz ZUXCYOMZPBWQLL-IFMALSPDSA-N 1 1 374.525 2.856 10 70 FFIEMO Cc1nccn1C[C@@H]1CCC[N@H+]1[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000160684149 509019450 /nfs/dbraw/zinc/01/94/50/509019450.db2.gz IGOHXXRFNTYZLS-QFBILLFUSA-N 1 1 356.445 2.991 10 70 FFIEMO CC(C)Oc1ccc(CCNC(=O)C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cc1 ZINC000160924927 509048900 /nfs/dbraw/zinc/04/89/00/509048900.db2.gz FAXYMNKKACMRRE-DENIHFKCSA-N 1 1 374.525 2.760 10 70 FFIEMO Cn1cc(C[N@@H+]2CCCN(C(=O)Nc3cc(F)c(F)c(F)c3)CC2)cn1 ZINC000160004317 508924271 /nfs/dbraw/zinc/92/42/71/508924271.db2.gz VKZHDUZIKXELSO-UHFFFAOYSA-N 1 1 367.375 2.577 10 70 FFIEMO Cn1cc(C[N@H+]2CCCN(C(=O)Nc3cc(F)c(F)c(F)c3)CC2)cn1 ZINC000160004317 508924275 /nfs/dbraw/zinc/92/42/75/508924275.db2.gz VKZHDUZIKXELSO-UHFFFAOYSA-N 1 1 367.375 2.577 10 70 FFIEMO COc1ccc(Br)c(CC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c1 ZINC000160387123 508979517 /nfs/dbraw/zinc/97/95/17/508979517.db2.gz GKVZHAUOVYSOCH-GXTWGEPZSA-N 1 1 367.287 2.695 10 70 FFIEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2cnc(C(F)(F)F)nc2)C1 ZINC000160627924 509012277 /nfs/dbraw/zinc/01/22/77/509012277.db2.gz OGZIKEKIJYSQSU-GFCCVEGCSA-N 1 1 353.348 2.732 10 70 FFIEMO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2ccnc3c(F)cc(F)cc23)CC1 ZINC000159933200 508913365 /nfs/dbraw/zinc/91/33/65/508913365.db2.gz BKAGVYPWPHQDCD-CQSZACIVSA-N 1 1 374.435 2.646 10 70 FFIEMO Cc1ccc(C(=O)N(C)C)cc1NC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000160285999 508965202 /nfs/dbraw/zinc/96/52/02/508965202.db2.gz KGRMTLGNMJPAAC-QGZVFWFLSA-N 1 1 360.502 2.939 10 70 FFIEMO O=C(NCCOCc1ccc(Cl)cc1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000160551754 509001782 /nfs/dbraw/zinc/00/17/82/509001782.db2.gz AAUNLPZTJVUGEF-KRWDZBQOSA-N 1 1 351.878 2.736 10 70 FFIEMO COCCCn1c(C)cc(C(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1C ZINC000160868726 509041312 /nfs/dbraw/zinc/04/13/12/509041312.db2.gz YHRQXMRMNFPHJA-WIYYLYMNSA-N 1 1 362.514 2.951 10 70 FFIEMO COCCCn1c(C)cc(C(=O)C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1C ZINC000160868726 509041317 /nfs/dbraw/zinc/04/13/17/509041317.db2.gz YHRQXMRMNFPHJA-WIYYLYMNSA-N 1 1 362.514 2.951 10 70 FFIEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC000161286325 509096420 /nfs/dbraw/zinc/09/64/20/509096420.db2.gz HWCJWTCYVFMRGE-KRWDZBQOSA-N 1 1 365.441 2.684 10 70 FFIEMO Cc1csc(C2CC[NH+]([C@@H]3CCCN(c4cnn(C)c4)C3=O)CC2)n1 ZINC000159992743 508921404 /nfs/dbraw/zinc/92/14/04/508921404.db2.gz RKHAGEMDGXSMJD-MRXNPFEDSA-N 1 1 359.499 2.560 10 70 FFIEMO O=C(/C=C/c1csc(Br)c1)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000160371654 508977633 /nfs/dbraw/zinc/97/76/33/508977633.db2.gz MLBAFGKJBURQHI-FNVMNULWSA-N 1 1 371.300 2.503 10 70 FFIEMO O=C(/C=C/c1csc(Br)c1)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000160371654 508977637 /nfs/dbraw/zinc/97/76/37/508977637.db2.gz MLBAFGKJBURQHI-FNVMNULWSA-N 1 1 371.300 2.503 10 70 FFIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)CCN1c2ccccc2CCC1=O ZINC000160402791 508982175 /nfs/dbraw/zinc/98/21/75/508982175.db2.gz KLXBAUWCIYZDEF-GOSISDBHSA-N 1 1 357.498 2.593 10 70 FFIEMO CCc1nnc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)n1C ZINC000160521474 508997943 /nfs/dbraw/zinc/99/79/43/508997943.db2.gz UIZJWKAPLXKRJU-YIONKMFJSA-N 1 1 363.506 2.740 10 70 FFIEMO CCc1nnc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)n1C ZINC000160521474 508997947 /nfs/dbraw/zinc/99/79/47/508997947.db2.gz UIZJWKAPLXKRJU-YIONKMFJSA-N 1 1 363.506 2.740 10 70 FFIEMO CCOCC[N@H+]1CCN(Cc2noc(-c3ccsc3)n2)C[C@@H]1CC ZINC000160835498 509038413 /nfs/dbraw/zinc/03/84/13/509038413.db2.gz OENATVDWOMSSAR-HNNXBMFYSA-N 1 1 350.488 2.731 10 70 FFIEMO C[C@H]1C[C@H](NC(=O)N2CCC(c3cc[nH]n3)CC2)C[N@H+]1Cc1ccccc1 ZINC000160089407 508936643 /nfs/dbraw/zinc/93/66/43/508936643.db2.gz AXJAELJJVQMDCN-LPHOPBHVSA-N 1 1 367.497 2.962 10 70 FFIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000160375864 508977754 /nfs/dbraw/zinc/97/77/54/508977754.db2.gz KXYDCHVAZKACMZ-KZNAEPCWSA-N 1 1 358.482 2.798 10 70 FFIEMO Cn1c(C[NH+]2CCC(c3ccnn3CCO)CC2)nc2cc(Cl)ccc21 ZINC000160559803 509003763 /nfs/dbraw/zinc/00/37/63/509003763.db2.gz NTUKLRXPEACMFV-UHFFFAOYSA-N 1 1 373.888 2.795 10 70 FFIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)NC(=O)c1ccc(Cl)cc1 ZINC000160605545 509009103 /nfs/dbraw/zinc/00/91/03/509009103.db2.gz VGZNANRTJGJDIX-RHSMWYFYSA-N 1 1 365.905 2.695 10 70 FFIEMO C[C@@]1(CNC2=NS(=O)(=O)c3ccccc32)CCC[N@@H+]1Cc1ccccc1 ZINC000160796831 509034285 /nfs/dbraw/zinc/03/42/85/509034285.db2.gz FPYSCHZTBLLFID-FQEVSTJZSA-N 1 1 369.490 2.780 10 70 FFIEMO C[C@@]1(CNC2=NS(=O)(=O)c3ccccc32)CCC[N@H+]1Cc1ccccc1 ZINC000160796831 509034288 /nfs/dbraw/zinc/03/42/88/509034288.db2.gz FPYSCHZTBLLFID-FQEVSTJZSA-N 1 1 369.490 2.780 10 70 FFIEMO C[C@@H](CC(=O)NC[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000159362435 508830688 /nfs/dbraw/zinc/83/06/88/508830688.db2.gz VAORZVAZGMNGIS-UWJYYQICSA-N 1 1 352.478 2.716 10 70 FFIEMO Cc1ccc(C(C)(C)C(=O)NC[C@H](O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000159376290 508833201 /nfs/dbraw/zinc/83/32/01/508833201.db2.gz DQEJCTMZGWMDAR-NRFANRHFSA-N 1 1 366.505 2.808 10 70 FFIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)Nc1ccccc1SCC(N)=O ZINC000159711177 508878765 /nfs/dbraw/zinc/87/87/65/508878765.db2.gz BFAKWGNIDUMGFV-CQSZACIVSA-N 1 1 364.515 2.506 10 70 FFIEMO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@H]1c2ccccc2CCC1(C)C ZINC000159853147 508900895 /nfs/dbraw/zinc/90/08/95/508900895.db2.gz JJLKRZHGIFBAEE-APWZRJJASA-N 1 1 358.530 2.635 10 70 FFIEMO OCCn1nccc1C1CC[NH+](Cc2csc(-c3ccco3)n2)CC1 ZINC000160657553 509015063 /nfs/dbraw/zinc/01/50/63/509015063.db2.gz BZOHIIZIAVFORQ-UHFFFAOYSA-N 1 1 358.467 2.972 10 70 FFIEMO CC(C)CCn1ccc(NC(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)n1 ZINC000160768703 509030295 /nfs/dbraw/zinc/03/02/95/509030295.db2.gz AXFLYLXRLPOHLV-MRXNPFEDSA-N 1 1 363.506 2.646 10 70 FFIEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2cccnc2-c2ccccc2)C1 ZINC000161029310 509061340 /nfs/dbraw/zinc/06/13/40/509061340.db2.gz JJYJTSFFRCKSOX-QAPCUYQASA-N 1 1 366.465 2.532 10 70 FFIEMO CCn1c2ccccc2nc1SCC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000161150627 509077647 /nfs/dbraw/zinc/07/76/47/509077647.db2.gz YXNYALGLDURMGQ-HOCLYGCPSA-N 1 1 360.527 2.993 10 70 FFIEMO O=C(NCCC[N@H+]1CCc2ccccc2C1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000159830456 508897579 /nfs/dbraw/zinc/89/75/79/508897579.db2.gz FTUZOLLPBIVNDC-IRLDBZIGSA-N 1 1 371.525 2.771 10 70 FFIEMO COc1ccc2c(c1)CCCN2C(=O)C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160578982 509005007 /nfs/dbraw/zinc/00/50/07/509005007.db2.gz XIUJSCAEUYOGJA-UTKZUKDTSA-N 1 1 358.482 2.601 10 70 FFIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)Cc1csc(-c2cccnc2)n1 ZINC000160597984 509008245 /nfs/dbraw/zinc/00/82/45/509008245.db2.gz ZDNXFOWZVBHGDC-QGZVFWFLSA-N 1 1 358.511 2.984 10 70 FFIEMO COCCCn1c(C)cc(C(=O)C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1C ZINC000160868881 509041620 /nfs/dbraw/zinc/04/16/20/509041620.db2.gz YHRQXMRMNFPHJA-NQIIRXRSSA-N 1 1 362.514 2.951 10 70 FFIEMO COCCCn1c(C)cc(C(=O)C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1C ZINC000160868881 509041622 /nfs/dbraw/zinc/04/16/22/509041622.db2.gz YHRQXMRMNFPHJA-NQIIRXRSSA-N 1 1 362.514 2.951 10 70 FFIEMO COCCC1(CNC(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)CCC1 ZINC000160969653 509055126 /nfs/dbraw/zinc/05/51/26/509055126.db2.gz NACWOQHZLMNZCL-UHFFFAOYSA-N 1 1 360.502 2.865 10 70 FFIEMO COc1ccc(Cl)cc1NCCC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000161409842 509112967 /nfs/dbraw/zinc/11/29/67/509112967.db2.gz ACHILSODHUSUJN-BBRMVZONSA-N 1 1 353.894 2.996 10 70 FFIEMO COC(=O)C1([N@@H+](C)C[C@@H](O)COCc2ccc(Cl)cc2)CCCC1 ZINC000159420680 508839931 /nfs/dbraw/zinc/83/99/31/508839931.db2.gz KWFGSKCKQLDZDL-MRXNPFEDSA-N 1 1 355.862 2.635 10 70 FFIEMO C[C@H](CNC(=O)N[C@H]1c2ccccc2CCC1(C)C)CN1CC[NH+](C)CC1 ZINC000159670904 508873821 /nfs/dbraw/zinc/87/38/21/508873821.db2.gz RXSQMWVBHBZANA-XLIONFOSSA-N 1 1 372.557 2.883 10 70 FFIEMO CCc1csc([C@H]2CCC[N@H+]([C@@H]3CCCN(c4cnn(C)c4)C3=O)C2)n1 ZINC000160018785 508926555 /nfs/dbraw/zinc/92/65/55/508926555.db2.gz WZIMOMUZPATYBF-WMLDXEAASA-N 1 1 373.526 2.814 10 70 FFIEMO C[N@H+](Cc1cnc2ccccn12)C[C@@H](c1cccs1)N1CCOCC1 ZINC000160058391 508931684 /nfs/dbraw/zinc/93/16/84/508931684.db2.gz HKEGOEUCMUWZMX-KRWDZBQOSA-N 1 1 356.495 2.901 10 70 FFIEMO CN(C)CC[NH+]1CCC(NC(=O)N[C@@H]2CCCc3cc(F)ccc32)CC1 ZINC000160195829 508952771 /nfs/dbraw/zinc/95/27/71/508952771.db2.gz UIHFATNKOUBOFX-LJQANCHMSA-N 1 1 362.493 2.528 10 70 FFIEMO CCc1cc(=O)n2nc(N[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C)sc2n1 ZINC000160224988 508956676 /nfs/dbraw/zinc/95/66/76/508956676.db2.gz SGMYBEMKDOSTPR-BBRMVZONSA-N 1 1 369.494 2.646 10 70 FFIEMO CC(C)NC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1Br ZINC000160444639 508988517 /nfs/dbraw/zinc/98/85/17/508988517.db2.gz GCPXIIIRUJQLHQ-MNOVXSKESA-N 1 1 356.264 2.722 10 70 FFIEMO OCCn1nccc1C1CC[NH+](Cc2csc(-c3ccccn3)n2)CC1 ZINC000160553613 509001861 /nfs/dbraw/zinc/00/18/61/509001861.db2.gz PQNYBMZXTPLPIM-UHFFFAOYSA-N 1 1 369.494 2.774 10 70 FFIEMO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@H]1c2ccccc2CCC1(C)C ZINC000159853037 508900943 /nfs/dbraw/zinc/90/09/43/508900943.db2.gz JJLKRZHGIFBAEE-LPHOPBHVSA-N 1 1 358.530 2.635 10 70 FFIEMO CCc1csc([C@@H]2CCC[N@H+]([C@@H]3CCCN(c4cnn(C)c4)C3=O)C2)n1 ZINC000160018638 508926809 /nfs/dbraw/zinc/92/68/09/508926809.db2.gz WZIMOMUZPATYBF-RHSMWYFYSA-N 1 1 373.526 2.814 10 70 FFIEMO O=C(NCCOCc1ccc(Cl)cc1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000160551606 509002001 /nfs/dbraw/zinc/00/20/01/509002001.db2.gz AAUNLPZTJVUGEF-QGZVFWFLSA-N 1 1 351.878 2.736 10 70 FFIEMO CSc1ccc(CN(C)C(=O)C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)cc1 ZINC000161169775 509080549 /nfs/dbraw/zinc/08/05/49/509080549.db2.gz LPVYQNGUIDOOGP-XLIONFOSSA-N 1 1 362.539 2.994 10 70 FFIEMO CC(C)[C@H](O)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000160134239 508943953 /nfs/dbraw/zinc/94/39/53/508943953.db2.gz FALGKEMQXUCERX-HZPDHXFCSA-N 1 1 358.404 2.803 10 70 FFIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000160457888 508990144 /nfs/dbraw/zinc/99/01/44/508990144.db2.gz FODBBKWNUYUHNR-WOJBJXKFSA-N 1 1 371.525 2.775 10 70 FFIEMO CSc1nc(C)c(CCC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)c(C)n1 ZINC000160504927 508996325 /nfs/dbraw/zinc/99/63/25/508996325.db2.gz LVQHZQTVQLTRFD-MRXNPFEDSA-N 1 1 364.559 2.985 10 70 FFIEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC000160926017 509048870 /nfs/dbraw/zinc/04/88/70/509048870.db2.gz NJBFRAPBZQNJIF-DLBZAZTESA-N 1 1 354.458 2.573 10 70 FFIEMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cnc2c(c1)ncn2C ZINC000159916888 508910982 /nfs/dbraw/zinc/91/09/82/508910982.db2.gz QUAYOSMWJUNSQR-KRWDZBQOSA-N 1 1 363.465 2.562 10 70 FFIEMO COCC[N@@H+]1CCN(C(=O)NCc2cccc(-c3ccccn3)c2)C[C@@H]1C ZINC000160184002 508950465 /nfs/dbraw/zinc/95/04/65/508950465.db2.gz VQRFTNLSDQSFFH-KRWDZBQOSA-N 1 1 368.481 2.611 10 70 FFIEMO COCC[N@H+]1CCN(C(=O)NCc2cccc(-c3ccccn3)c2)C[C@@H]1C ZINC000160184002 508950469 /nfs/dbraw/zinc/95/04/69/508950469.db2.gz VQRFTNLSDQSFFH-KRWDZBQOSA-N 1 1 368.481 2.611 10 70 FFIEMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000160255424 508960919 /nfs/dbraw/zinc/96/09/19/508960919.db2.gz ARQIPANYYVCWAS-CVEARBPZSA-N 1 1 366.452 2.885 10 70 FFIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)CCCNC(=O)NC1CCCCC1 ZINC000160480635 508993038 /nfs/dbraw/zinc/99/30/38/508993038.db2.gz HCSIEAJQMYGMRE-GOSISDBHSA-N 1 1 366.550 2.635 10 70 FFIEMO COc1ccc(-c2noc(C[N@@H+]3CC[C@@]4(O)CCCC[C@@H]4C3)n2)c(OC)c1 ZINC000160977518 509055999 /nfs/dbraw/zinc/05/59/99/509055999.db2.gz NECKCFNKXKALCG-VLIAUNLRSA-N 1 1 373.453 2.881 10 70 FFIEMO COc1ccc(-c2noc(C[N@H+]3CC[C@@]4(O)CCCC[C@@H]4C3)n2)c(OC)c1 ZINC000160977518 509056002 /nfs/dbraw/zinc/05/60/02/509056002.db2.gz NECKCFNKXKALCG-VLIAUNLRSA-N 1 1 373.453 2.881 10 70 FFIEMO COC(=O)[C@H](C)Sc1ccccc1C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000161250368 509092339 /nfs/dbraw/zinc/09/23/39/509092339.db2.gz SWDDOIKEMJWEMB-DZKIICNBSA-N 1 1 364.511 2.799 10 70 FFIEMO Cn1cc(C[N@@H+]2CCCN(Cc3noc(C4CCCCC4)n3)CC2)cn1 ZINC000159959700 508917580 /nfs/dbraw/zinc/91/75/80/508917580.db2.gz GNLPSDYEIJZUSW-UHFFFAOYSA-N 1 1 358.490 2.559 10 70 FFIEMO Cn1cc(C[N@H+]2CCCN(Cc3noc(C4CCCCC4)n3)CC2)cn1 ZINC000159959700 508917582 /nfs/dbraw/zinc/91/75/82/508917582.db2.gz GNLPSDYEIJZUSW-UHFFFAOYSA-N 1 1 358.490 2.559 10 70 FFIEMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000160255681 508961007 /nfs/dbraw/zinc/96/10/07/508961007.db2.gz ARQIPANYYVCWAS-HOTGVXAUSA-N 1 1 366.452 2.885 10 70 FFIEMO O=C(C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1)NCc1ccc(OC(F)F)cc1 ZINC000160744996 509027456 /nfs/dbraw/zinc/02/74/56/509027456.db2.gz JZSWYPZJGQONML-BEFAXECRSA-N 1 1 368.424 2.531 10 70 FFIEMO CC(C)[C@H](C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C)S(=O)(=O)C1CCCCC1 ZINC000161117001 509073469 /nfs/dbraw/zinc/07/34/69/509073469.db2.gz PDRXXKOXISOAPF-RYQLBKOJSA-N 1 1 372.575 2.603 10 70 FFIEMO CC(C)[C@H](C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C)S(=O)(=O)C1CCCCC1 ZINC000161117001 509073472 /nfs/dbraw/zinc/07/34/72/509073472.db2.gz PDRXXKOXISOAPF-RYQLBKOJSA-N 1 1 372.575 2.603 10 70 FFIEMO Cc1nc2n(n1)CCC[C@@H]2NC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000159622627 508867005 /nfs/dbraw/zinc/86/70/05/508867005.db2.gz OWVCVMNOBQLYRQ-KRWDZBQOSA-N 1 1 370.501 2.631 10 70 FFIEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCc1nnc(-c2ccccc2)o1 ZINC000160040284 508929146 /nfs/dbraw/zinc/92/91/46/508929146.db2.gz WVLNLXCZFOPBQL-DLBZAZTESA-N 1 1 369.469 2.547 10 70 FFIEMO COCC[N@@H+]1CCN(C(=O)NCc2cccc(-c3ccccn3)c2)C[C@H]1C ZINC000160183882 508950514 /nfs/dbraw/zinc/95/05/14/508950514.db2.gz VQRFTNLSDQSFFH-QGZVFWFLSA-N 1 1 368.481 2.611 10 70 FFIEMO COCC[N@H+]1CCN(C(=O)NCc2cccc(-c3ccccn3)c2)C[C@H]1C ZINC000160183882 508950518 /nfs/dbraw/zinc/95/05/18/508950518.db2.gz VQRFTNLSDQSFFH-QGZVFWFLSA-N 1 1 368.481 2.611 10 70 FFIEMO CCOCC[N@@H+]1CCN(C(=O)Nc2ccn(CCC(C)C)n2)C[C@@H]1C ZINC000160458466 508989624 /nfs/dbraw/zinc/98/96/24/508989624.db2.gz PCJLVXSGPZLNAI-INIZCTEOSA-N 1 1 351.495 2.504 10 70 FFIEMO CCOCC[N@H+]1CCN(C(=O)Nc2ccn(CCC(C)C)n2)C[C@@H]1C ZINC000160458466 508989629 /nfs/dbraw/zinc/98/96/29/508989629.db2.gz PCJLVXSGPZLNAI-INIZCTEOSA-N 1 1 351.495 2.504 10 70 FFIEMO COc1cc(NC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)ccc1NC(C)=O ZINC000160494044 508994542 /nfs/dbraw/zinc/99/45/42/508994542.db2.gz VWHOIZVJUKUJAR-MRXNPFEDSA-N 1 1 362.474 2.896 10 70 FFIEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000160836742 509038368 /nfs/dbraw/zinc/03/83/68/509038368.db2.gz LSTOUMQUYXNXHZ-GFCCVEGCSA-N 1 1 356.352 2.647 10 70 FFIEMO COc1ccccc1N1CC[C@@H](NC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC000160242061 508959370 /nfs/dbraw/zinc/95/93/70/508959370.db2.gz QPOYTKMLUCRBHG-QZTJIDSGSA-N 1 1 374.529 2.694 10 70 FFIEMO O=C(/C=C/c1csc(Br)c1)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000160371779 508977803 /nfs/dbraw/zinc/97/78/03/508977803.db2.gz MLBAFGKJBURQHI-HJFNVNOESA-N 1 1 371.300 2.503 10 70 FFIEMO O=C(/C=C/c1csc(Br)c1)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000160371779 508977806 /nfs/dbraw/zinc/97/78/06/508977806.db2.gz MLBAFGKJBURQHI-HJFNVNOESA-N 1 1 371.300 2.503 10 70 FFIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 ZINC000160587423 509007118 /nfs/dbraw/zinc/00/71/18/509007118.db2.gz RGIJIPBLOPJHQD-JENIJYKNSA-N 1 1 374.529 2.545 10 70 FFIEMO O[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)[N@@H+](CCCN2CCOCC2)C1 ZINC000161086268 509069668 /nfs/dbraw/zinc/06/96/68/509069668.db2.gz PPCBLEYXFJJAPK-DLBZAZTESA-N 1 1 358.404 2.535 10 70 FFIEMO CCCOc1cccc(CNC(=O)C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000161140873 509076792 /nfs/dbraw/zinc/07/67/92/509076792.db2.gz QIKCBFOGWLHSQD-WIYYLYMNSA-N 1 1 360.498 2.719 10 70 FFIEMO CN(CCCOc1ccccc1)C(=O)C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000161153501 509078448 /nfs/dbraw/zinc/07/84/48/509078448.db2.gz GVWLGEREYTXXPH-NQIIRXRSSA-N 1 1 360.498 2.541 10 70 FFIEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCOCc1ccc(Cl)cc1 ZINC000160513557 508997216 /nfs/dbraw/zinc/99/72/16/508997216.db2.gz KIAWPWDDUFQTCX-RHSMWYFYSA-N 1 1 351.878 2.735 10 70 FFIEMO COC(=O)c1ccc2[nH]cc(C(=O)C[NH+]3CCC(c4cc[nH]n4)CC3)c2c1 ZINC000160795368 509033947 /nfs/dbraw/zinc/03/39/47/509033947.db2.gz BJQGFTLFRLICCI-UHFFFAOYSA-N 1 1 366.421 2.740 10 70 FFIEMO COc1ccc(Cl)cc1NCCC(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000161409707 509113464 /nfs/dbraw/zinc/11/34/64/509113464.db2.gz ACHILSODHUSUJN-CJNGLKHVSA-N 1 1 353.894 2.996 10 70 FFIEMO Cc1cc(C)n(-c2ccc(C(=O)NC[C@H]3CCC[N@@H+]3CC(C)C)cn2)n1 ZINC000160552675 509002122 /nfs/dbraw/zinc/00/21/22/509002122.db2.gz LQHCTGJBCUPSAQ-GOSISDBHSA-N 1 1 355.486 2.734 10 70 FFIEMO O=C(C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1)Nc1ccccc1OC(F)F ZINC000161130992 509075656 /nfs/dbraw/zinc/07/56/56/509075656.db2.gz URDURIPQKRZSHD-ACJLOTCBSA-N 1 1 354.397 2.854 10 70 FFIEMO O=C(C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1)Nc1ccccc1OC(F)F ZINC000161130992 509075659 /nfs/dbraw/zinc/07/56/59/509075659.db2.gz URDURIPQKRZSHD-ACJLOTCBSA-N 1 1 354.397 2.854 10 70 FFIEMO O=C1[C@@H]([NH+]2CCC(n3cncn3)CC2)CCCN1c1ccccc1Cl ZINC000159909887 508909730 /nfs/dbraw/zinc/90/97/30/508909730.db2.gz LZXFTWOTHIOVOM-KRWDZBQOSA-N 1 1 359.861 2.764 10 70 FFIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)C[C@H](C)NC(=O)C1CCCCC1 ZINC000160499253 508995459 /nfs/dbraw/zinc/99/54/59/508995459.db2.gz MYMRPMIDRRJGPR-FUHWJXTLSA-N 1 1 351.535 2.698 10 70 FFIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NCc1cccc2c1OCCCO2 ZINC000160786452 509032803 /nfs/dbraw/zinc/03/28/03/509032803.db2.gz WMVHJLMWCSAIDG-QGZVFWFLSA-N 1 1 361.486 2.768 10 70 FFIEMO CN(CC[N@H+]1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1)Cc1ccc(F)cc1 ZINC000160947972 509051731 /nfs/dbraw/zinc/05/17/31/509051731.db2.gz PZYSIKAFJFEBSS-YLJYHZDGSA-N 1 1 359.489 2.733 10 70 FFIEMO COC(=O)c1[nH]c(C)c(C(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)c1C ZINC000161008176 509059207 /nfs/dbraw/zinc/05/92/07/509059207.db2.gz XWRAJCIQZDEBOG-UHFFFAOYSA-N 1 1 370.453 2.520 10 70 FFIEMO C[C@@H](CNC(=O)N1CCC(c2cc[nH]n2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000159589736 508862446 /nfs/dbraw/zinc/86/24/46/508862446.db2.gz YTOMSJAZEQWBFX-INIZCTEOSA-N 1 1 355.486 2.819 10 70 FFIEMO C[C@H](CNC(=O)N1CCC(c2ccnn2C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000159591013 508862746 /nfs/dbraw/zinc/86/27/46/508862746.db2.gz FMMKHOGBXLGOAQ-QGZVFWFLSA-N 1 1 369.513 2.830 10 70 FFIEMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cnc(C(F)(F)F)nc1 ZINC000159934263 508913308 /nfs/dbraw/zinc/91/33/08/508913308.db2.gz NRMWAUZEDXELIW-LBPRGKRZSA-N 1 1 352.360 2.746 10 70 FFIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000160453527 508989034 /nfs/dbraw/zinc/98/90/34/508989034.db2.gz JUOHFBQFNRCOBH-FUHWJXTLSA-N 1 1 370.501 2.748 10 70 FFIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)C[C@@H](C)NC(=O)C1CCCCC1 ZINC000160499120 508995692 /nfs/dbraw/zinc/99/56/92/508995692.db2.gz MYMRPMIDRRJGPR-SJLPKXTDSA-N 1 1 351.535 2.698 10 70 FFIEMO O=C(CC[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1)NCc1ccccc1Cl ZINC000161098898 509071408 /nfs/dbraw/zinc/07/14/08/509071408.db2.gz LVQPGEFLDGWOQT-APWZRJJASA-N 1 1 350.890 2.973 10 70 FFIEMO C[C@@H](CNC(=O)N1CCC(c2ccnn2C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000159590883 508863085 /nfs/dbraw/zinc/86/30/85/508863085.db2.gz FMMKHOGBXLGOAQ-KRWDZBQOSA-N 1 1 369.513 2.830 10 70 FFIEMO C[C@@H]1C[C@H](NC(=O)N2CCC(c3cc[nH]n3)CC2)C[N@H+]1Cc1ccccc1 ZINC000160089253 508936412 /nfs/dbraw/zinc/93/64/12/508936412.db2.gz AXJAELJJVQMDCN-APWZRJJASA-N 1 1 367.497 2.962 10 70 FFIEMO COC(=O)c1ccc(F)c(NC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC000160106822 508939943 /nfs/dbraw/zinc/93/99/43/508939943.db2.gz TYQUGBJVRFYIOJ-CQSZACIVSA-N 1 1 351.422 2.854 10 70 FFIEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CCSc1ccc2c(c1)OCCO2 ZINC000160267199 508962504 /nfs/dbraw/zinc/96/25/04/508962504.db2.gz BJDLPHXWVXLCHN-LSDHHAIUSA-N 1 1 362.495 2.635 10 70 FFIEMO CC(C)C[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccccc1OC(F)F ZINC000160309232 508968425 /nfs/dbraw/zinc/96/84/25/508968425.db2.gz KZPNUFNPLVNMFE-CYBMUJFWSA-N 1 1 362.442 2.687 10 70 FFIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)C1CCN(C(=O)c2ccccc2)CC1 ZINC000160393068 508980509 /nfs/dbraw/zinc/98/05/09/508980509.db2.gz NBFSHIQERFILRJ-HXUWFJFHSA-N 1 1 371.525 2.775 10 70 FFIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)CC[C@@H]1Cc2ccccc2NC1=O ZINC000160408516 508983153 /nfs/dbraw/zinc/98/31/53/508983153.db2.gz YLFDDDVSKKERJI-QZTJIDSGSA-N 1 1 357.498 2.814 10 70 FFIEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cccnc1-c1ccccc1 ZINC000160896711 509045058 /nfs/dbraw/zinc/04/50/58/509045058.db2.gz GOJKGCPZUNGBJZ-KRWDZBQOSA-N 1 1 366.465 2.630 10 70 FFIEMO Cc1cccc(OCCCNC(=O)C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000160939267 509051103 /nfs/dbraw/zinc/05/11/03/509051103.db2.gz DYDQBSWHYMCUAH-WIYYLYMNSA-N 1 1 360.498 2.507 10 70 FFIEMO C[C@H](CNC(=O)N[C@@H]1CC[C@@H](C)c2ccccc21)CN1CC[NH+](C)CC1 ZINC000159673012 508874533 /nfs/dbraw/zinc/87/45/33/508874533.db2.gz IDYNJIXXAHVZJL-MBOZVWFJSA-N 1 1 358.530 2.808 10 70 FFIEMO Fc1cccc(F)c1-c1csc(C[N@@H+]2CC[C@H](N3CCOCC3)C2)n1 ZINC000159825537 508897114 /nfs/dbraw/zinc/89/71/14/508897114.db2.gz DIVUXGYHMNKFTI-ZDUSSCGKSA-N 1 1 365.449 2.995 10 70 FFIEMO Fc1cccc(F)c1-c1csc(C[N@H+]2CC[C@H](N3CCOCC3)C2)n1 ZINC000159825537 508897117 /nfs/dbraw/zinc/89/71/17/508897117.db2.gz DIVUXGYHMNKFTI-ZDUSSCGKSA-N 1 1 365.449 2.995 10 70 FFIEMO CCn1cnnc1[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3ccc(C)cc3)C2=O)C1 ZINC000160107876 508939615 /nfs/dbraw/zinc/93/96/15/508939615.db2.gz RILNDLFGDNBJLG-SJLPKXTDSA-N 1 1 353.470 2.591 10 70 FFIEMO CCn1cnnc1[C@@H]1CCC[N@H+]([C@@H]2CCN(c3ccc(C)cc3)C2=O)C1 ZINC000160107876 508939618 /nfs/dbraw/zinc/93/96/18/508939618.db2.gz RILNDLFGDNBJLG-SJLPKXTDSA-N 1 1 353.470 2.591 10 70 FFIEMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000160255311 508960895 /nfs/dbraw/zinc/96/08/95/508960895.db2.gz ARQIPANYYVCWAS-HZPDHXFCSA-N 1 1 366.452 2.885 10 70 FFIEMO Cc1cc(NC(=O)N2CCC[N@@H+](Cc3cnn(C)c3)CC2)cnc1Cl ZINC000160464660 508990779 /nfs/dbraw/zinc/99/07/79/508990779.db2.gz NORFEQJZMKVBKQ-UHFFFAOYSA-N 1 1 362.865 2.517 10 70 FFIEMO Cc1cc(NC(=O)N2CCC[N@H+](Cc3cnn(C)c3)CC2)cnc1Cl ZINC000160464660 508990782 /nfs/dbraw/zinc/99/07/82/508990782.db2.gz NORFEQJZMKVBKQ-UHFFFAOYSA-N 1 1 362.865 2.517 10 70 FFIEMO COc1ccc(-c2noc(C[N@@H+]3CC[C@]4(O)CCCC[C@@H]4C3)n2)c(OC)c1 ZINC000160977368 509055755 /nfs/dbraw/zinc/05/57/55/509055755.db2.gz NECKCFNKXKALCG-JLTOFOAXSA-N 1 1 373.453 2.881 10 70 FFIEMO COc1ccc(-c2noc(C[N@H+]3CC[C@]4(O)CCCC[C@@H]4C3)n2)c(OC)c1 ZINC000160977368 509055758 /nfs/dbraw/zinc/05/57/58/509055758.db2.gz NECKCFNKXKALCG-JLTOFOAXSA-N 1 1 373.453 2.881 10 70 FFIEMO C[C@H](CNC(=O)N[C@@H]1c2ccccc2CCC1(C)C)CN1CC[NH+](C)CC1 ZINC000159670657 508873776 /nfs/dbraw/zinc/87/37/76/508873776.db2.gz RXSQMWVBHBZANA-YLJYHZDGSA-N 1 1 372.557 2.883 10 70 FFIEMO Cc1cccc([C@@H]2CCC[N@H+]2C[C@H](O)COCc2ccc3c(c2)OCO3)n1 ZINC000159823763 508896346 /nfs/dbraw/zinc/89/63/46/508896346.db2.gz RYMSAOLJIMODGG-HKUYNNGSSA-N 1 1 370.449 2.833 10 70 FFIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)CCc1nnc(-c2ccsc2)o1 ZINC000160502435 508995753 /nfs/dbraw/zinc/99/57/53/508995753.db2.gz WXLAZNJAWMFBPJ-OAHLLOKOSA-N 1 1 362.499 2.967 10 70 FFIEMO O[C@@H]1C[C@H](c2cccc(C(F)(F)F)c2)[N@@H+](CCCN2CCOCC2)C1 ZINC000161086525 509069894 /nfs/dbraw/zinc/06/98/94/509069894.db2.gz PPCBLEYXFJJAPK-IAGOWNOFSA-N 1 1 358.404 2.535 10 70 FFIEMO CN1CC[NH+]([C@@H]2CCCCN(C(=O)c3cccc(Cl)c3F)C2)CC1 ZINC000159823772 508896193 /nfs/dbraw/zinc/89/61/93/508896193.db2.gz LQKMYYVCRWUMRI-CQSZACIVSA-N 1 1 353.869 2.721 10 70 FFIEMO CCOCC[N@@H+]1CCN(C(=O)Nc2ccn(CCC(C)C)n2)C[C@H]1C ZINC000160458606 508989735 /nfs/dbraw/zinc/98/97/35/508989735.db2.gz PCJLVXSGPZLNAI-MRXNPFEDSA-N 1 1 351.495 2.504 10 70 FFIEMO CCOCC[N@H+]1CCN(C(=O)Nc2ccn(CCC(C)C)n2)C[C@H]1C ZINC000160458606 508989737 /nfs/dbraw/zinc/98/97/37/508989737.db2.gz PCJLVXSGPZLNAI-MRXNPFEDSA-N 1 1 351.495 2.504 10 70 FFIEMO CCc1c(C(=O)N2CCC(Cc3[nH+]ccn3C)CC2)cnn1CC(C)C ZINC000160824372 509037167 /nfs/dbraw/zinc/03/71/67/509037167.db2.gz UXWZVIIBDKYOJO-UHFFFAOYSA-N 1 1 357.502 2.930 10 70 FFIEMO Cc1nc2cc(NC(=O)N3CCC[N@@H+](Cc4cnn(C)c4)CC3)ccc2o1 ZINC000161235476 509089539 /nfs/dbraw/zinc/08/95/39/509089539.db2.gz BSYHYCSGCHVIIX-UHFFFAOYSA-N 1 1 368.441 2.610 10 70 FFIEMO Cc1nc2cc(NC(=O)N3CCC[N@H+](Cc4cnn(C)c4)CC3)ccc2o1 ZINC000161235476 509089540 /nfs/dbraw/zinc/08/95/40/509089540.db2.gz BSYHYCSGCHVIIX-UHFFFAOYSA-N 1 1 368.441 2.610 10 70 FFIEMO CN(CC[N@H+](C)C1CCN(CCn2cccn2)CC1)Cc1ccc(F)cc1 ZINC000159372044 508832351 /nfs/dbraw/zinc/83/23/51/508832351.db2.gz BGBXATXITJZVKL-UHFFFAOYSA-N 1 1 373.520 2.550 10 70 FFIEMO CN(CC[N@@H+](C)C1CCN(CCn2cccn2)CC1)Cc1ccc(F)cc1 ZINC000159372044 508832355 /nfs/dbraw/zinc/83/23/55/508832355.db2.gz BGBXATXITJZVKL-UHFFFAOYSA-N 1 1 373.520 2.550 10 70 FFIEMO Cc1nc2n(n1)CCC[C@H]2NC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000159622748 508867374 /nfs/dbraw/zinc/86/73/74/508867374.db2.gz OWVCVMNOBQLYRQ-QGZVFWFLSA-N 1 1 370.501 2.631 10 70 FFIEMO C[C@@H](CNC(=O)N[C@@H]1c2ccccc2CCC1(C)C)CN1CC[NH+](C)CC1 ZINC000159670569 508873759 /nfs/dbraw/zinc/87/37/59/508873759.db2.gz RXSQMWVBHBZANA-FXAWDEMLSA-N 1 1 372.557 2.883 10 70 FFIEMO CCN1CC[NH+](CCC(=O)N[C@H](C)c2ccc(OCC(C)C)cc2)CC1 ZINC000159720193 508879737 /nfs/dbraw/zinc/87/97/37/508879737.db2.gz XPNNOLLOLLURJA-GOSISDBHSA-N 1 1 361.530 2.926 10 70 FFIEMO COC(=O)c1cc(NC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)c(F)cc1F ZINC000160118387 508941032 /nfs/dbraw/zinc/94/10/32/508941032.db2.gz NDIAFGKMUYGXHQ-GFCCVEGCSA-N 1 1 369.412 2.993 10 70 FFIEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NCCCC(=O)OC(C)C)C1 ZINC000160203775 508953290 /nfs/dbraw/zinc/95/32/90/508953290.db2.gz DDPOYJUDNPSEDQ-OAHLLOKOSA-N 1 1 350.463 2.524 10 70 FFIEMO Cc1cc(NC(=O)C2CCN(CC[N@@H+](C)Cc3ccc(F)cc3)CC2)no1 ZINC000160340926 508973464 /nfs/dbraw/zinc/97/34/64/508973464.db2.gz DRAXGGVXULNKAI-UHFFFAOYSA-N 1 1 374.460 2.905 10 70 FFIEMO Cc1cc(NC(=O)C2CCN(CC[N@H+](C)Cc3ccc(F)cc3)CC2)no1 ZINC000160340926 508973465 /nfs/dbraw/zinc/97/34/65/508973465.db2.gz DRAXGGVXULNKAI-UHFFFAOYSA-N 1 1 374.460 2.905 10 70 FFIEMO CC(=O)N[C@@H](CC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C)c1ccc(C)cc1 ZINC000160477791 508992257 /nfs/dbraw/zinc/99/22/57/508992257.db2.gz SKZVUKISJTXQBG-UXHICEINSA-N 1 1 359.514 2.799 10 70 FFIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(N2CCCC2=O)ccc1F ZINC000160520809 508998115 /nfs/dbraw/zinc/99/81/15/508998115.db2.gz NUNGGGVQZYJBDA-MRXNPFEDSA-N 1 1 361.461 2.803 10 70 FFIEMO CC(C)(C)OC[C@H](O)C[N@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161109554 509072768 /nfs/dbraw/zinc/07/27/68/509072768.db2.gz JNIMEPMOFFFZQS-BZUAXINKSA-N 1 1 361.404 2.989 10 70 FFIEMO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1Br ZINC000160444528 508988627 /nfs/dbraw/zinc/98/86/27/508988627.db2.gz GCPXIIIRUJQLHQ-GHMZBOCLSA-N 1 1 356.264 2.722 10 70 FFIEMO COCCOCc1cc(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)ccc1F ZINC000160520523 508998155 /nfs/dbraw/zinc/99/81/55/508998155.db2.gz JCUGACMIAMSQMQ-GOSISDBHSA-N 1 1 366.477 2.839 10 70 FFIEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC000160925898 509048966 /nfs/dbraw/zinc/04/89/66/509048966.db2.gz NJBFRAPBZQNJIF-IAGOWNOFSA-N 1 1 354.458 2.573 10 70 FFIEMO Cc1cccc(OCCCNC(=O)C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000160939407 509051307 /nfs/dbraw/zinc/05/13/07/509051307.db2.gz DYDQBSWHYMCUAH-NQIIRXRSSA-N 1 1 360.498 2.507 10 70 FFIEMO Cc1csc([C@H]2CCC[N@H+]([C@@H]3CCCN(c4cnn(C)c4)C3=O)C2)n1 ZINC000160000777 508923174 /nfs/dbraw/zinc/92/31/74/508923174.db2.gz MPJBWXRBUKJLAW-GOEBONIOSA-N 1 1 359.499 2.560 10 70 FFIEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NCCCC(=O)OC(C)C)C1 ZINC000160203915 508953820 /nfs/dbraw/zinc/95/38/20/508953820.db2.gz DDPOYJUDNPSEDQ-HNNXBMFYSA-N 1 1 350.463 2.524 10 70 FFIEMO Cc1cnn(CCNC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000160291217 508965905 /nfs/dbraw/zinc/96/59/05/508965905.db2.gz VBDRSZDBMFUXIU-QUCCMNQESA-N 1 1 369.513 2.886 10 70 FFIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)C[C@H]1Sc2ccccc2NC1=O ZINC000160433136 508985852 /nfs/dbraw/zinc/98/58/52/508985852.db2.gz XRADBJLHYYGEHE-RHSMWYFYSA-N 1 1 361.511 2.726 10 70 FFIEMO Cc1nccn1C[C@H]1CCC[N@H+]1[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000160684270 509020342 /nfs/dbraw/zinc/02/03/42/509020342.db2.gz IGOHXXRFNTYZLS-VQIMIIECSA-N 1 1 356.445 2.991 10 70 FFIEMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c(OC)c1 ZINC000160870501 509042214 /nfs/dbraw/zinc/04/22/14/509042214.db2.gz RFPPFXXKEKRRSR-BXTJHSDWSA-N 1 1 362.470 2.658 10 70 FFIEMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c(OC)c1 ZINC000160870501 509042218 /nfs/dbraw/zinc/04/22/18/509042218.db2.gz RFPPFXXKEKRRSR-BXTJHSDWSA-N 1 1 362.470 2.658 10 70 FFIEMO O[C@]12CCCC[C@@H]1C[N@H+](Cc1nc(-c3ccc4c(c3)OCO4)no1)CC2 ZINC000160936427 509050618 /nfs/dbraw/zinc/05/06/18/509050618.db2.gz OCEIGRDVZSYYKK-KUHUBIRLSA-N 1 1 357.410 2.592 10 70 FFIEMO O[C@]12CCCC[C@@H]1C[N@@H+](Cc1nc(-c3ccc4c(c3)OCO4)no1)CC2 ZINC000160936427 509050621 /nfs/dbraw/zinc/05/06/21/509050621.db2.gz OCEIGRDVZSYYKK-KUHUBIRLSA-N 1 1 357.410 2.592 10 70 FFIEMO Cc1nn(C)c2nc(C3CC3)cc(C(=O)N[C@@H]3C[N@@H+](C(C)C)C[C@@H]3C)c12 ZINC000161079207 509068724 /nfs/dbraw/zinc/06/87/24/509068724.db2.gz PJNBWBCENVZJHT-YVEFUNNKSA-N 1 1 355.486 2.613 10 70 FFIEMO CC(C)[N@@H+]1C[C@H](NC(=O)CCNC(=O)c2ccc3ccccc3c2)[C@@H](C)C1 ZINC000161282272 509096283 /nfs/dbraw/zinc/09/62/83/509096283.db2.gz DZUDKNVPWFBNPD-JXFKEZNVSA-N 1 1 367.493 2.805 10 70 FFIEMO COC(=O)C1([N@@H+](C)C[C@H](O)COCc2ccc(Cl)cc2)CCCC1 ZINC000159420532 508839694 /nfs/dbraw/zinc/83/96/94/508839694.db2.gz KWFGSKCKQLDZDL-INIZCTEOSA-N 1 1 355.862 2.635 10 70 FFIEMO C[C@H](CNC(=O)N[C@@H]1CC[C@H](C)c2ccccc21)CN1CC[NH+](C)CC1 ZINC000159673156 508874435 /nfs/dbraw/zinc/87/44/35/508874435.db2.gz IDYNJIXXAHVZJL-FUHIMQAGSA-N 1 1 358.530 2.808 10 70 FFIEMO O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)N1CCC(c2cc[nH]n2)CC1 ZINC000160019582 508926606 /nfs/dbraw/zinc/92/66/06/508926606.db2.gz IYEHMKWLYJINHK-LJQANCHMSA-N 1 1 367.497 2.963 10 70 FFIEMO CC(C)[C@@H](O)CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000160134643 508943638 /nfs/dbraw/zinc/94/36/38/508943638.db2.gz FALGKEMQXUCERX-HOTGVXAUSA-N 1 1 358.404 2.803 10 70 FFIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000160458020 508989837 /nfs/dbraw/zinc/98/98/37/508989837.db2.gz FODBBKWNUYUHNR-VQTJNVASSA-N 1 1 371.525 2.775 10 70 FFIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](NC(=O)c1cccs1)C(C)C ZINC000160508108 508996560 /nfs/dbraw/zinc/99/65/60/508996560.db2.gz AGHISQDUWWBCAK-WBVHZDCISA-N 1 1 365.543 2.739 10 70 FFIEMO C[C@]1(CNC2=NS(=O)(=O)c3ccccc32)CCC[N@@H+]1Cc1ccccc1 ZINC000160796718 509033857 /nfs/dbraw/zinc/03/38/57/509033857.db2.gz FPYSCHZTBLLFID-HXUWFJFHSA-N 1 1 369.490 2.780 10 70 FFIEMO C[C@]1(CNC2=NS(=O)(=O)c3ccccc32)CCC[N@H+]1Cc1ccccc1 ZINC000160796718 509033859 /nfs/dbraw/zinc/03/38/59/509033859.db2.gz FPYSCHZTBLLFID-HXUWFJFHSA-N 1 1 369.490 2.780 10 70 FFIEMO O[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)[N@@H+](CCCN2CCOCC2)C1 ZINC000161086148 509069419 /nfs/dbraw/zinc/06/94/19/509069419.db2.gz PPCBLEYXFJJAPK-IRXDYDNUSA-N 1 1 358.404 2.535 10 70 FFIEMO O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)N1CCC(c2cc[nH]n2)CC1 ZINC000160019716 508926562 /nfs/dbraw/zinc/92/65/62/508926562.db2.gz IYEHMKWLYJINHK-IBGZPJMESA-N 1 1 367.497 2.963 10 70 FFIEMO COc1ccccc1N1CC[C@H](NC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC000160242201 508959185 /nfs/dbraw/zinc/95/91/85/508959185.db2.gz QPOYTKMLUCRBHG-ZWKOTPCHSA-N 1 1 374.529 2.694 10 70 FFIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)CCC(=O)c1ccc2c(c1)OCCO2 ZINC000160451919 508989021 /nfs/dbraw/zinc/98/90/21/508989021.db2.gz DYSUXZCVAGJZKR-QGZVFWFLSA-N 1 1 374.481 2.657 10 70 FFIEMO CC[C@H]1CN(C(=O)Nc2ccn(CCC(C)C)n2)CC[N@@H+]1CCOC ZINC000160459369 508990120 /nfs/dbraw/zinc/99/01/20/508990120.db2.gz BGTNHYDCQLGEFE-INIZCTEOSA-N 1 1 351.495 2.504 10 70 FFIEMO CC[C@H]1CN(C(=O)Nc2ccn(CCC(C)C)n2)CC[N@H+]1CCOC ZINC000160459369 508990124 /nfs/dbraw/zinc/99/01/24/508990124.db2.gz BGTNHYDCQLGEFE-INIZCTEOSA-N 1 1 351.495 2.504 10 70 FFIEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccnn1Cc1ccccc1F ZINC000160538069 509000226 /nfs/dbraw/zinc/00/02/26/509000226.db2.gz LLOITDORVXGLCT-GOEBONIOSA-N 1 1 357.433 2.771 10 70 FFIEMO CCC[C@H](NC(=O)Cc1ccccc1)C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000160581826 509005950 /nfs/dbraw/zinc/00/59/50/509005950.db2.gz BVEKLYBHXYIDQM-UXHICEINSA-N 1 1 373.541 2.751 10 70 FFIEMO CC(C)[N@@H+]1C[C@H](NC(=O)c2ccccc2CSc2nc[nH]n2)[C@@H](C)C1 ZINC000161174490 509080611 /nfs/dbraw/zinc/08/06/11/509080611.db2.gz XEVKQZKTGBLLAJ-BBRMVZONSA-N 1 1 359.499 2.556 10 70 FFIEMO Fc1cccc(F)c1-c1csc(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)n1 ZINC000159825651 508896720 /nfs/dbraw/zinc/89/67/20/508896720.db2.gz DIVUXGYHMNKFTI-CYBMUJFWSA-N 1 1 365.449 2.995 10 70 FFIEMO Fc1cccc(F)c1-c1csc(C[N@H+]2CC[C@@H](N3CCOCC3)C2)n1 ZINC000159825651 508896723 /nfs/dbraw/zinc/89/67/23/508896723.db2.gz DIVUXGYHMNKFTI-CYBMUJFWSA-N 1 1 365.449 2.995 10 70 FFIEMO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2ccnc3c(F)cc(F)cc23)CC1 ZINC000159933084 508913334 /nfs/dbraw/zinc/91/33/34/508913334.db2.gz BKAGVYPWPHQDCD-AWEZNQCLSA-N 1 1 374.435 2.646 10 70 FFIEMO Cc1n[nH]c(C)c1[C@H](C)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000160374761 508977504 /nfs/dbraw/zinc/97/75/04/508977504.db2.gz QNGQIMLVYKXMEC-ZRGWGRIASA-N 1 1 369.513 2.942 10 70 FFIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)CC[C@H]1Cc2ccccc2NC1=O ZINC000160408663 508982955 /nfs/dbraw/zinc/98/29/55/508982955.db2.gz YLFDDDVSKKERJI-ZWKOTPCHSA-N 1 1 357.498 2.814 10 70 FFIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H](NC(=O)c1cccs1)C(C)C ZINC000160507973 508996694 /nfs/dbraw/zinc/99/66/94/508996694.db2.gz AGHISQDUWWBCAK-NVXWUHKLSA-N 1 1 365.543 2.739 10 70 FFIEMO O[C@H](COCc1ccc(Cl)cc1)C[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161064541 509066853 /nfs/dbraw/zinc/06/68/53/509066853.db2.gz LCNCDJKMMRTUIE-NZSAHSFTSA-N 1 1 353.890 2.845 10 70 FFIEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000159704210 508878097 /nfs/dbraw/zinc/87/80/97/508878097.db2.gz YILDIPSEOWOSEN-BEKAIBRUSA-N 1 1 372.513 2.549 10 70 FFIEMO C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H]2Cn2ccnc2)C[N@H+]1Cc1ccccc1 ZINC000160013562 508925782 /nfs/dbraw/zinc/92/57/82/508925782.db2.gz DTQZNSTUHRUVIA-YZGWKJHDSA-N 1 1 367.497 2.720 10 70 FFIEMO CC(C)[C@@H](O)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000160134370 508943485 /nfs/dbraw/zinc/94/34/85/508943485.db2.gz FALGKEMQXUCERX-CVEARBPZSA-N 1 1 358.404 2.803 10 70 FFIEMO C[C@H](CC(=O)NC[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000159362590 508830578 /nfs/dbraw/zinc/83/05/78/508830578.db2.gz VAORZVAZGMNGIS-UTKZUKDTSA-N 1 1 352.478 2.716 10 70 FFIEMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cnc2c(c1)ncn2C ZINC000159917026 508910672 /nfs/dbraw/zinc/91/06/72/508910672.db2.gz QUAYOSMWJUNSQR-QGZVFWFLSA-N 1 1 363.465 2.562 10 70 FFIEMO COc1ccc2c(c1)CCCN2C(=O)C[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160578845 509005302 /nfs/dbraw/zinc/00/53/02/509005302.db2.gz XIUJSCAEUYOGJA-DYESRHJHSA-N 1 1 358.482 2.601 10 70 FFIEMO O=C1c2ccccc2C(=O)N1CCCC[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160863164 509041529 /nfs/dbraw/zinc/04/15/29/509041529.db2.gz SBSHXEGVTMORRR-IIBYNOLFSA-N 1 1 356.466 2.690 10 70 FFIEMO COc1ccccc1-c1nn(C)cc1C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000161203427 509085101 /nfs/dbraw/zinc/08/51/01/509085101.db2.gz WXBSYQINRFQZQK-YOEHRIQHSA-N 1 1 356.470 2.554 10 70 FFIEMO Cc1[nH+]ccn1-c1cncc(N(C)Cc2nccn2Cc2ccccc2)n1 ZINC000159703229 508878263 /nfs/dbraw/zinc/87/82/63/508878263.db2.gz IJTZGGACYJTZLJ-UHFFFAOYSA-N 1 1 359.437 2.852 10 70 FFIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000160453639 508989069 /nfs/dbraw/zinc/98/90/69/508989069.db2.gz JUOHFBQFNRCOBH-SJLPKXTDSA-N 1 1 370.501 2.748 10 70 FFIEMO Cc1nc(-c2cnn(C)c2)sc1C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000160496705 508995020 /nfs/dbraw/zinc/99/50/20/508995020.db2.gz OJVVQKUBGOCDCK-OAHLLOKOSA-N 1 1 361.515 2.702 10 70 FFIEMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cnc3c(c2)ncn3C)C1 ZINC000160507818 508996716 /nfs/dbraw/zinc/99/67/16/508996716.db2.gz RILCRHNBVREZEH-HOTGVXAUSA-N 1 1 355.486 2.695 10 70 FFIEMO COc1cc(OC)c(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)cc1OC ZINC000160523056 508998886 /nfs/dbraw/zinc/99/88/86/508998886.db2.gz LGLZWGHSZDAVPX-CQSZACIVSA-N 1 1 350.459 2.563 10 70 FFIEMO CCCOCc1ccccc1CNC(=O)C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160499201 508995410 /nfs/dbraw/zinc/99/54/10/508995410.db2.gz ZUXCYOMZPBWQLL-IRLDBZIGSA-N 1 1 374.525 2.856 10 70 FFIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000160587293 509006797 /nfs/dbraw/zinc/00/67/97/509006797.db2.gz RGIJIPBLOPJHQD-ZIFCJYIRSA-N 1 1 374.529 2.545 10 70 FFIEMO CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000160596614 509007725 /nfs/dbraw/zinc/00/77/25/509007725.db2.gz IZPZPCYMKDCFLU-CTNGQTDRSA-N 1 1 371.525 2.759 10 70 FFIEMO CCCOc1ccc(CNC(=O)C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)cc1 ZINC000160726384 509024941 /nfs/dbraw/zinc/02/49/41/509024941.db2.gz XYVHGJOPHNXFPF-NQIIRXRSSA-N 1 1 360.498 2.719 10 70 FFIEMO CC(C)[C@H](C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C)S(=O)(=O)C1CCCCC1 ZINC000161116888 509073434 /nfs/dbraw/zinc/07/34/34/509073434.db2.gz PDRXXKOXISOAPF-BPQIPLTHSA-N 1 1 372.575 2.603 10 70 FFIEMO CC(C)[C@H](C(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C)S(=O)(=O)C1CCCCC1 ZINC000161116888 509073437 /nfs/dbraw/zinc/07/34/37/509073437.db2.gz PDRXXKOXISOAPF-BPQIPLTHSA-N 1 1 372.575 2.603 10 70 FFIEMO CCCC(O)(CCC)CC(=O)N1CCC[N@H+](Cc2cnn(CC)c2)CC1 ZINC000161450371 509117528 /nfs/dbraw/zinc/11/75/28/509117528.db2.gz QAGVRXDZHHPACF-UHFFFAOYSA-N 1 1 364.534 2.659 10 70 FFIEMO CCCC(O)(CCC)CC(=O)N1CCC[N@@H+](Cc2cnn(CC)c2)CC1 ZINC000161450371 509117530 /nfs/dbraw/zinc/11/75/30/509117530.db2.gz QAGVRXDZHHPACF-UHFFFAOYSA-N 1 1 364.534 2.659 10 70 FFIEMO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@@H]1c2ccccc2CCC1(C)C ZINC000159852896 508901034 /nfs/dbraw/zinc/90/10/34/508901034.db2.gz JJLKRZHGIFBAEE-VQIMIIECSA-N 1 1 358.530 2.635 10 70 FFIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 ZINC000160424782 508985261 /nfs/dbraw/zinc/98/52/61/508985261.db2.gz GMBIODJYAXCBQF-DZGCQCFKSA-N 1 1 361.511 2.970 10 70 FFIEMO Cc1cc(C(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c(C)n1C1CC1 ZINC000160473318 508992472 /nfs/dbraw/zinc/99/24/72/508992472.db2.gz RNOLNGXWQOUZEB-VQTJNVASSA-N 1 1 367.493 2.805 10 70 FFIEMO C=C1c2ccccc2C(=O)N1CCC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000160513675 508997355 /nfs/dbraw/zinc/99/73/55/508997355.db2.gz BSALLGQFISJIKV-QGZVFWFLSA-N 1 1 355.482 2.740 10 70 FFIEMO Cc1nn(C)c(C)c1CN1CC[NH+](CCC(=O)c2ccc(C)cc2)CC1 ZINC000159384428 508834223 /nfs/dbraw/zinc/83/42/23/508834223.db2.gz GFNSDJXPFHWWLE-UHFFFAOYSA-N 1 1 354.498 2.736 10 70 FFIEMO CC(C)[C@H](O)CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000160134509 508943758 /nfs/dbraw/zinc/94/37/58/508943758.db2.gz FALGKEMQXUCERX-JKSUJKDBSA-N 1 1 358.404 2.803 10 70 FFIEMO C[C@H](CNC(=O)N1CCC(c2cc[nH]n2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000159589838 508862285 /nfs/dbraw/zinc/86/22/85/508862285.db2.gz YTOMSJAZEQWBFX-MRXNPFEDSA-N 1 1 355.486 2.819 10 70 FFIEMO COC(=O)[C@H](C)Sc1ccccc1C(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000161250244 509092272 /nfs/dbraw/zinc/09/22/72/509092272.db2.gz SWDDOIKEMJWEMB-YCPHGPKFSA-N 1 1 364.511 2.799 10 70 FFIEMO CN1CC[NH+]([C@H]2CCCCN(C(=O)c3cccc(Cl)c3F)C2)CC1 ZINC000159823899 508895954 /nfs/dbraw/zinc/89/59/54/508895954.db2.gz LQKMYYVCRWUMRI-AWEZNQCLSA-N 1 1 353.869 2.721 10 70 FFIEMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000160255561 508960646 /nfs/dbraw/zinc/96/06/46/508960646.db2.gz ARQIPANYYVCWAS-JKSUJKDBSA-N 1 1 366.452 2.885 10 70 FFIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)CCCNC(=O)c1ccc(F)cc1 ZINC000160493472 508994843 /nfs/dbraw/zinc/99/48/43/508994843.db2.gz RSVXOCFBDJEROL-GOSISDBHSA-N 1 1 363.477 2.572 10 70 FFIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)CCc1nc(-c2ccsc2)no1 ZINC000160503073 508995803 /nfs/dbraw/zinc/99/58/03/508995803.db2.gz BRKKKTMTWAUKAH-OAHLLOKOSA-N 1 1 362.499 2.967 10 70 FFIEMO Cc1csc([C@@H]2CCC[N@H+]([C@@H]3CCCN(c4cnn(C)c4)C3=O)C2)n1 ZINC000160000642 508923865 /nfs/dbraw/zinc/92/38/65/508923865.db2.gz MPJBWXRBUKJLAW-GDBMZVCRSA-N 1 1 359.499 2.560 10 70 FFIEMO CCn1cnnc1[C@H]1CCC[N@@H+]([C@@H]2CCN(c3ccc(C)cc3)C2=O)C1 ZINC000160107990 508939386 /nfs/dbraw/zinc/93/93/86/508939386.db2.gz RILNDLFGDNBJLG-FUHWJXTLSA-N 1 1 353.470 2.591 10 70 FFIEMO CCn1cnnc1[C@H]1CCC[N@H+]([C@@H]2CCN(c3ccc(C)cc3)C2=O)C1 ZINC000160107990 508939391 /nfs/dbraw/zinc/93/93/91/508939391.db2.gz RILNDLFGDNBJLG-FUHWJXTLSA-N 1 1 353.470 2.591 10 70 FFIEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CCSc1ccc2c(c1)OCCO2 ZINC000160267076 508962793 /nfs/dbraw/zinc/96/27/93/508962793.db2.gz BJDLPHXWVXLCHN-HUUCEWRRSA-N 1 1 362.495 2.635 10 70 FFIEMO C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160766366 509030204 /nfs/dbraw/zinc/03/02/04/509030204.db2.gz USSUMEAXKFLYIY-WHSLLNHNSA-N 1 1 374.481 2.802 10 70 FFIEMO O=C1c2ccccc2C(=O)N1CCCC[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160863272 509041634 /nfs/dbraw/zinc/04/16/34/509041634.db2.gz SBSHXEGVTMORRR-IERDGZPVSA-N 1 1 356.466 2.690 10 70 FFIEMO Cn1cc[nH+]c1CC1CCN(C(=O)Nc2ccn(CC(F)(F)F)n2)CC1 ZINC000160430002 508985751 /nfs/dbraw/zinc/98/57/51/508985751.db2.gz HLNWRPFGVGQUCY-UHFFFAOYSA-N 1 1 370.379 2.666 10 70 FFIEMO Cc1cc2nc(C)c(CCC(=O)NC[C@H]3CCC[N@@H+]3CC(C)C)c(C)n2n1 ZINC000160445919 508988396 /nfs/dbraw/zinc/98/83/96/508988396.db2.gz QZJRLTDTSHTOKR-GOSISDBHSA-N 1 1 371.529 2.824 10 70 FFIEMO CCCOc1ccc(CNC(=O)C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cc1 ZINC000160726244 509025381 /nfs/dbraw/zinc/02/53/81/509025381.db2.gz XYVHGJOPHNXFPF-WIYYLYMNSA-N 1 1 360.498 2.719 10 70 FFIEMO CN(C)CC[NH+]1CCC(NC(=O)N[C@H]2CCCc3cc(F)ccc32)CC1 ZINC000160195964 508953089 /nfs/dbraw/zinc/95/30/89/508953089.db2.gz UIHFATNKOUBOFX-IBGZPJMESA-N 1 1 362.493 2.528 10 70 FFIEMO CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000160596477 509007679 /nfs/dbraw/zinc/00/76/79/509007679.db2.gz IZPZPCYMKDCFLU-TZIWHRDSSA-N 1 1 371.525 2.759 10 70 FFIEMO CN(CCCOc1ccccc1)C(=O)C[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161153372 509078189 /nfs/dbraw/zinc/07/81/89/509078189.db2.gz GVWLGEREYTXXPH-WIYYLYMNSA-N 1 1 360.498 2.541 10 70 FFIEMO FC(F)(F)Oc1cccc(CC[N@@H+]2CCO[C@H](Cn3cccn3)C2)c1 ZINC000159986823 508920846 /nfs/dbraw/zinc/92/08/46/508920846.db2.gz RXIQEOBUIDULFY-INIZCTEOSA-N 1 1 355.360 2.725 10 70 FFIEMO FC(F)(F)Oc1cccc(CC[N@H+]2CCO[C@H](Cn3cccn3)C2)c1 ZINC000159986823 508920849 /nfs/dbraw/zinc/92/08/49/508920849.db2.gz RXIQEOBUIDULFY-INIZCTEOSA-N 1 1 355.360 2.725 10 70 FFIEMO Cc1cnn(CCNC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000160291097 508965415 /nfs/dbraw/zinc/96/54/15/508965415.db2.gz VBDRSZDBMFUXIU-UYAOXDASSA-N 1 1 369.513 2.886 10 70 FFIEMO CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000160581948 509005891 /nfs/dbraw/zinc/00/58/91/509005891.db2.gz BVEKLYBHXYIDQM-WOJBJXKFSA-N 1 1 373.541 2.751 10 70 FFIEMO CC(C)[N@@H+]1C[C@H](NC(=O)C(=O)Nc2cccnc2-c2ccccc2)[C@@H](C)C1 ZINC000161029434 509061487 /nfs/dbraw/zinc/06/14/87/509061487.db2.gz JJYJTSFFRCKSOX-YJBOKZPZSA-N 1 1 366.465 2.532 10 70 FFIEMO CC(C)[N@@H+]1C[C@H](NC(=O)c2cccc(NC(=O)c3cccnc3)c2)[C@@H](C)C1 ZINC000161229547 509089143 /nfs/dbraw/zinc/08/91/43/509089143.db2.gz CEIYZQBMLSMYFL-KXBFYZLASA-N 1 1 366.465 2.792 10 70 FFIEMO C[C@@H]1CCN(C(=O)c2cnc3c(c2)ncn3C)CC[N@H+]1Cc1ccccc1 ZINC000159917977 508910718 /nfs/dbraw/zinc/91/07/18/508910718.db2.gz QAWJJYVYMOMKCG-MRXNPFEDSA-N 1 1 363.465 2.705 10 70 FFIEMO Cc1c(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)nnn1-c1ccc(C)cc1 ZINC000160581279 509005831 /nfs/dbraw/zinc/00/58/31/509005831.db2.gz UXWWXVRGGHGGTP-GOSISDBHSA-N 1 1 355.486 2.734 10 70 FFIEMO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000159433566 508841454 /nfs/dbraw/zinc/84/14/54/508841454.db2.gz NVFGAJQIRWZGLN-NEPJUHHUSA-N 1 1 370.419 2.667 10 70 FFIEMO C[C@H]1CCN(C(=O)c2cnc3c(c2)ncn3C)CC[N@H+]1Cc1ccccc1 ZINC000159918118 508910817 /nfs/dbraw/zinc/91/08/17/508910817.db2.gz QAWJJYVYMOMKCG-INIZCTEOSA-N 1 1 363.465 2.705 10 70 FFIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000160375992 508977848 /nfs/dbraw/zinc/97/78/48/508977848.db2.gz KXYDCHVAZKACMZ-KURKYZTESA-N 1 1 358.482 2.798 10 70 FFIEMO Cc1cc(C(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c(C)n1C1CC1 ZINC000160473456 508992204 /nfs/dbraw/zinc/99/22/04/508992204.db2.gz RNOLNGXWQOUZEB-WOJBJXKFSA-N 1 1 367.493 2.805 10 70 FFIEMO COc1ccc([C@H](NC(=O)C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)C2CC2)cc1 ZINC000160746250 509028311 /nfs/dbraw/zinc/02/83/11/509028311.db2.gz HQBMWHKOSJGRGD-STZQEDGTSA-N 1 1 372.509 2.890 10 70 FFIEMO C[C@H](OCCCNC(=O)C[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1)c1ccccc1 ZINC000160828274 509038000 /nfs/dbraw/zinc/03/80/00/509038000.db2.gz HAGWJSYVBIVCAB-CZTZKLFOSA-N 1 1 374.525 2.898 10 70 FFIEMO CC(C)Oc1ccc(CCNC(=O)C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)cc1 ZINC000160925060 509048976 /nfs/dbraw/zinc/04/89/76/509048976.db2.gz FAXYMNKKACMRRE-KNQAVFIVSA-N 1 1 374.525 2.760 10 70 FFIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC000161098693 509071159 /nfs/dbraw/zinc/07/11/59/509071159.db2.gz JHLLYMHVVNETNR-QGZVFWFLSA-N 1 1 356.474 2.724 10 70 FFIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)Cc1csc(-c2ccccn2)n1 ZINC000160445105 508988391 /nfs/dbraw/zinc/98/83/91/508988391.db2.gz QMZJDQRDRRYRSU-MRXNPFEDSA-N 1 1 358.511 2.984 10 70 FFIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 ZINC000160587553 509006826 /nfs/dbraw/zinc/00/68/26/509006826.db2.gz RGIJIPBLOPJHQD-ZHALLVOQSA-N 1 1 374.529 2.545 10 70 FFIEMO O=C(CC[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1)NCc1ccccc1Cl ZINC000161098785 509071225 /nfs/dbraw/zinc/07/12/25/509071225.db2.gz LVQPGEFLDGWOQT-VQIMIIECSA-N 1 1 350.890 2.973 10 70 FFIEMO C[C@H](CNC(=O)N[C@H]1CC[C@@H](C)c2ccccc21)CN1CC[NH+](C)CC1 ZINC000159672749 508874515 /nfs/dbraw/zinc/87/45/15/508874515.db2.gz IDYNJIXXAHVZJL-HLIPFELVSA-N 1 1 358.530 2.808 10 70 FFIEMO Cc1cccc(N2CCC(NC(=O)N3CCC(c4cc[nH]n4)CC3)CC2)[nH+]1 ZINC000160249487 508960214 /nfs/dbraw/zinc/96/02/14/508960214.db2.gz PKQHDRZWJVWPTJ-UHFFFAOYSA-N 1 1 368.485 2.671 10 70 FFIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 ZINC000160424644 508985091 /nfs/dbraw/zinc/98/50/91/508985091.db2.gz GMBIODJYAXCBQF-UKRRQHHQSA-N 1 1 361.511 2.970 10 70 FFIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1Sc2ccccc2NC1=O ZINC000160433274 508986840 /nfs/dbraw/zinc/98/68/40/508986840.db2.gz XRADBJLHYYGEHE-PBHICJAKSA-N 1 1 361.511 2.726 10 70 FFIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(CC(=O)N(C)C)cc1 ZINC000160552256 509001988 /nfs/dbraw/zinc/00/19/88/509001988.db2.gz BIPSFRYNOSHPJH-GOSISDBHSA-N 1 1 360.502 2.559 10 70 FFIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)Cc1ccc(NC(=O)C2CC2)cc1 ZINC000160578404 509004833 /nfs/dbraw/zinc/00/48/33/509004833.db2.gz NDEULPUMFGESDU-LJQANCHMSA-N 1 1 357.498 2.814 10 70 FFIEMO CC(C)COC[C@H](O)C[N@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161050873 509065401 /nfs/dbraw/zinc/06/54/01/509065401.db2.gz DBVXPCLMBCXBQF-BRWVUGGUSA-N 1 1 361.404 2.847 10 70 FFIEMO CCn1c2ccccc2nc1SCC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000161150491 509077799 /nfs/dbraw/zinc/07/77/99/509077799.db2.gz YXNYALGLDURMGQ-GOEBONIOSA-N 1 1 360.527 2.993 10 70 FFIEMO C[C@H](CNC(=O)N[C@H]1CC[C@H](C)c2ccccc21)CN1CC[NH+](C)CC1 ZINC000159672892 508874325 /nfs/dbraw/zinc/87/43/25/508874325.db2.gz IDYNJIXXAHVZJL-UWVAXJGDSA-N 1 1 358.530 2.808 10 70 FFIEMO COc1cc(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)cc(OC)c1OC ZINC000160514202 508997123 /nfs/dbraw/zinc/99/71/23/508997123.db2.gz PRFBJWBADLSNCB-OAHLLOKOSA-N 1 1 350.459 2.563 10 70 FFIEMO CCCOc1cccc(CNC(=O)C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000161141017 509076772 /nfs/dbraw/zinc/07/67/72/509076772.db2.gz QIKCBFOGWLHSQD-NQIIRXRSSA-N 1 1 360.498 2.719 10 70 FFIEMO Cc1csc(C2CC[NH+]([C@H]3CCCN(c4cnn(C)c4)C3=O)CC2)n1 ZINC000159992821 508922042 /nfs/dbraw/zinc/92/20/42/508922042.db2.gz RKHAGEMDGXSMJD-INIZCTEOSA-N 1 1 359.499 2.560 10 70 FFIEMO C[C@H]1C[C@@H](NC(=O)N2CCC(c3cc[nH]n3)CC2)C[N@H+]1Cc1ccccc1 ZINC000160089677 508936419 /nfs/dbraw/zinc/93/64/19/508936419.db2.gz AXJAELJJVQMDCN-QFBILLFUSA-N 1 1 367.497 2.962 10 70 FFIEMO Cc1cccc(N2CCC(NC(=O)NCCc3ccc(Cl)nc3)CC2)[nH+]1 ZINC000160971594 509054806 /nfs/dbraw/zinc/05/48/06/509054806.db2.gz ZRLWEQMCOIPMGC-UHFFFAOYSA-N 1 1 373.888 2.949 10 70 FFIEMO C[C@@H](NC(=O)N1CCC([N@@H+](C)CCO)CC1)c1cccc2ccccc21 ZINC000161279053 509095870 /nfs/dbraw/zinc/09/58/70/509095870.db2.gz FUGFVLKXEWNGFK-MRXNPFEDSA-N 1 1 355.482 2.999 10 70 FFIEMO O=C1[C@H]([NH+]2CCC(n3cncn3)CC2)CCCN1c1ccccc1Cl ZINC000159910031 508910038 /nfs/dbraw/zinc/91/00/38/508910038.db2.gz LZXFTWOTHIOVOM-QGZVFWFLSA-N 1 1 359.861 2.764 10 70 FFIEMO C[C@@H]1C[C@@H](NC(=O)N2CCC(c3cc[nH]n3)CC2)C[N@H+]1Cc1ccccc1 ZINC000160089528 508936780 /nfs/dbraw/zinc/93/67/80/508936780.db2.gz AXJAELJJVQMDCN-VQIMIIECSA-N 1 1 367.497 2.962 10 70 FFIEMO CCC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC000160306939 508968315 /nfs/dbraw/zinc/96/83/15/508968315.db2.gz INYFPUKKEWTHLM-MRXNPFEDSA-N 1 1 352.500 2.678 10 70 FFIEMO Cc1cc(C(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)c(C)n1C1CC1 ZINC000160473063 508991200 /nfs/dbraw/zinc/99/12/00/508991200.db2.gz RNOLNGXWQOUZEB-PMACEKPBSA-N 1 1 367.493 2.805 10 70 FFIEMO Cc1nn(C)c2nc(C3CC3)cc(C(=O)N[C@H]3C[N@@H+](C(C)C)C[C@@H]3C)c12 ZINC000161079357 509068867 /nfs/dbraw/zinc/06/88/67/509068867.db2.gz PJNBWBCENVZJHT-SJCJKPOMSA-N 1 1 355.486 2.613 10 70 FFIEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2cccc(NC(=O)c3cccnc3)c2)C1 ZINC000161229437 509088808 /nfs/dbraw/zinc/08/88/08/509088808.db2.gz CEIYZQBMLSMYFL-BEFAXECRSA-N 1 1 366.465 2.792 10 70 FFIEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)CCNC(=O)c2ccc3ccccc3c2)C1 ZINC000161282169 509096807 /nfs/dbraw/zinc/09/68/07/509096807.db2.gz DZUDKNVPWFBNPD-UZLBHIALSA-N 1 1 367.493 2.805 10 70 FFIEMO CCNC(=O)c1ccc(C)c(NC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC000159959989 508917625 /nfs/dbraw/zinc/91/76/25/508917625.db2.gz NAFORVONVBGNGI-QGZVFWFLSA-N 1 1 360.502 2.987 10 70 FFIEMO Cc1cc2ncn(C[C@H](O)C[N@H+]3CC[C@]4(O)CCCC[C@@H]4C3)c2cc1C ZINC000160958040 509053579 /nfs/dbraw/zinc/05/35/79/509053579.db2.gz QUCPVZBSXZACSZ-DBXWQHBBSA-N 1 1 357.498 2.641 10 70 FFIEMO O=C(CNC1CC[NH+](Cc2cccnc2)CC1)Nc1ccc(Cl)cc1 ZINC000161116779 509073660 /nfs/dbraw/zinc/07/36/60/509073660.db2.gz XXJOUHJDZBNUQC-UHFFFAOYSA-N 1 1 358.873 2.928 10 70 FFIEMO